smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(C)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164637449 719266986 /nfs/dbraw/zinc/26/69/86/719266986.db2.gz LCRSCKHVCFIOJV-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164637449 719266989 /nfs/dbraw/zinc/26/69/89/719266989.db2.gz LCRSCKHVCFIOJV-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c(C)c1 ZINC001164634705 719271337 /nfs/dbraw/zinc/27/13/37/719271337.db2.gz MAWRAFCRIMCIAG-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c(C)c1 ZINC001164634705 719271340 /nfs/dbraw/zinc/27/13/40/719271340.db2.gz MAWRAFCRIMCIAG-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4ncn(C(C)C)c4n3)CC2)C1=O ZINC001164644501 719280506 /nfs/dbraw/zinc/28/05/06/719280506.db2.gz MFJODRRKIWTMPS-UHFFFAOYSA-N 1 2 401.515 1.167 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4ncn(C(C)C)c4n3)CC2)C1=O ZINC001164644501 719280508 /nfs/dbraw/zinc/28/05/08/719280508.db2.gz MFJODRRKIWTMPS-UHFFFAOYSA-N 1 2 401.515 1.167 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@H](F)Oc3cncc(Cl)n3)CC2)C1=O ZINC001164644858 719283699 /nfs/dbraw/zinc/28/36/99/719283699.db2.gz UUYBWUBJVIIJPK-INIZCTEOSA-N 1 2 401.870 1.017 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@H](F)Oc3cncc(Cl)n3)CC2)C1=O ZINC001164644858 719283702 /nfs/dbraw/zinc/28/37/02/719283702.db2.gz UUYBWUBJVIIJPK-INIZCTEOSA-N 1 2 401.870 1.017 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(OCC4CCCC4)n3)CC2)C1=O ZINC001164644869 719283957 /nfs/dbraw/zinc/28/39/57/719283957.db2.gz VKEXMVDVVKEGTD-UHFFFAOYSA-N 1 2 417.554 1.805 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(OCC4CCCC4)n3)CC2)C1=O ZINC001164644869 719283958 /nfs/dbraw/zinc/28/39/58/719283958.db2.gz VKEXMVDVVKEGTD-UHFFFAOYSA-N 1 2 417.554 1.805 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCCC1 ZINC001164702137 719838373 /nfs/dbraw/zinc/83/83/73/719838373.db2.gz OEGCBMLGXYXUHF-JTSKRJEESA-N 1 2 416.522 1.550 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2[nH]cc(F)c21 ZINC001164705269 719838861 /nfs/dbraw/zinc/83/88/61/719838861.db2.gz UPKDDEHTJCRBRS-ZMZPIMSZSA-N 1 2 411.865 1.983 20 0 HDADLO COC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164701424 719841814 /nfs/dbraw/zinc/84/18/14/719841814.db2.gz MEIOXPCWMOYJSS-KUHUBIRLSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncc1Cl ZINC001164701617 719841898 /nfs/dbraw/zinc/84/18/98/719841898.db2.gz MNIRYAVPMXASIJ-YJYMSZOUSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1OC ZINC001164704603 719843234 /nfs/dbraw/zinc/84/32/34/719843234.db2.gz SBYFVQMBJANOQY-VBKZILBWSA-N 1 2 407.467 1.110 20 0 HDADLO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703138 719854393 /nfs/dbraw/zinc/85/43/93/719854393.db2.gz PCJRSCXXXIFIPW-JLTOFOAXSA-N 1 2 409.458 1.548 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1[C@H](C)CC(=O)N2 ZINC001164700065 719855971 /nfs/dbraw/zinc/85/59/71/719855971.db2.gz GAWOKHHQBJSVFQ-CKNLXJGOSA-N 1 2 403.483 1.155 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698413 719862814 /nfs/dbraw/zinc/86/28/14/719862814.db2.gz CAOOBDHLXNLCJN-KKSFZXQISA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1nc(C)n2C ZINC001164705024 719866490 /nfs/dbraw/zinc/86/64/90/719866490.db2.gz NBIIIZJXLCQWMV-YJYMSZOUSA-N 1 2 422.917 1.558 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ncn(C(C)C)c2n1 ZINC001164702833 719868874 /nfs/dbraw/zinc/86/88/74/719868874.db2.gz IZKWCANBMHETSV-YWZLYKJASA-N 1 2 402.499 1.640 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2C1CC1 ZINC001164701226 719869676 /nfs/dbraw/zinc/86/96/76/719869676.db2.gz GBUFDIMWYCJTIW-YWZLYKJASA-N 1 2 400.483 1.394 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2nc(C)no2)cn1 ZINC001164701238 719870155 /nfs/dbraw/zinc/87/01/55/719870155.db2.gz GHCLUVWKJMNSBB-UZLBHIALSA-N 1 2 401.467 1.673 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(-c2cccc(F)c2)n1 ZINC001164701254 719871275 /nfs/dbraw/zinc/87/12/75/719871275.db2.gz GNBIKGJSQKAZGH-UWJYYQICSA-N 1 2 415.469 1.910 20 0 HDADLO CSc1ncc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708782 719919353 /nfs/dbraw/zinc/91/93/53/719919353.db2.gz QDPYFTXWYKKLSE-UHFFFAOYSA-N 1 2 421.958 1.536 20 0 HDADLO CSc1cnc(Cl)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708106 719919492 /nfs/dbraw/zinc/91/94/92/719919492.db2.gz CIFWLXXGZZOUPH-UHFFFAOYSA-N 1 2 421.958 1.536 20 0 HDADLO Cc1ccc(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nn2)o1 ZINC001164708135 719931258 /nfs/dbraw/zinc/93/12/58/719931258.db2.gz DTXXOMQTUARFNT-UHFFFAOYSA-N 1 2 421.505 1.729 20 0 HDADLO CSCc1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709075 719933662 /nfs/dbraw/zinc/93/36/62/719933662.db2.gz XHPYPNZQFYZSAL-UHFFFAOYSA-N 1 2 400.552 1.628 20 0 HDADLO C[C@@H]1CCc2nnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)cc2C1 ZINC001164708583 719933735 /nfs/dbraw/zinc/93/37/35/719933735.db2.gz LUNBFURWYRSPAS-OAHLLOKOSA-N 1 2 409.538 1.285 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164719307 720212544 /nfs/dbraw/zinc/21/25/44/720212544.db2.gz QWMHCXRBEZKJFI-QGZVFWFLSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164719307 720212549 /nfs/dbraw/zinc/21/25/49/720212549.db2.gz QWMHCXRBEZKJFI-QGZVFWFLSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164719769 720213883 /nfs/dbraw/zinc/21/38/83/720213883.db2.gz UANCRGMKDFQVJP-QGZVFWFLSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164719769 720213887 /nfs/dbraw/zinc/21/38/87/720213887.db2.gz UANCRGMKDFQVJP-QGZVFWFLSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ncccc4nc3Cl)C2)C1 ZINC001164720308 720245733 /nfs/dbraw/zinc/24/57/33/720245733.db2.gz ULQINVFTGIIQTM-LJQANCHMSA-N 1 2 404.902 1.343 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ncccc4nc3Cl)C2)C1 ZINC001164720308 720245747 /nfs/dbraw/zinc/24/57/47/720245747.db2.gz ULQINVFTGIIQTM-LJQANCHMSA-N 1 2 404.902 1.343 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)-c3ccccc3CC4)C2)C1 ZINC001164721218 720276392 /nfs/dbraw/zinc/27/63/92/720276392.db2.gz HTWFDZJLDZGUCA-DEOSSOPVSA-N 1 2 421.545 1.907 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)-c3ccccc3CC4)C2)C1 ZINC001164721218 720276403 /nfs/dbraw/zinc/27/64/03/720276403.db2.gz HTWFDZJLDZGUCA-DEOSSOPVSA-N 1 2 421.545 1.907 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ccccc31)C2 ZINC001164822155 720432212 /nfs/dbraw/zinc/43/22/12/720432212.db2.gz BTRSMLZPAKJLFK-QGZVFWFLSA-N 1 2 408.506 1.816 20 0 HDADLO CC(C)c1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164822363 720445974 /nfs/dbraw/zinc/44/59/74/720445974.db2.gz DEFRTWFZPBIZNU-KRWDZBQOSA-N 1 2 400.527 1.786 20 0 HDADLO COc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(C)c1 ZINC001164823489 720450625 /nfs/dbraw/zinc/45/06/25/720450625.db2.gz KJCYJXDQPRTRCN-QGZVFWFLSA-N 1 2 401.511 1.585 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3cccnc3n1)C2 ZINC001164830724 720456302 /nfs/dbraw/zinc/45/63/02/720456302.db2.gz LJIMYUIMIKRSHY-QGZVFWFLSA-N 1 2 409.494 1.211 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(C(F)F)n1)C2 ZINC001164831187 720466728 /nfs/dbraw/zinc/46/67/28/720466728.db2.gz NHISCZHGROMRHW-CQSZACIVSA-N 1 2 408.453 1.600 20 0 HDADLO CSc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828917 720470875 /nfs/dbraw/zinc/47/08/75/720470875.db2.gz CINYCMFWGXGQKY-MRXNPFEDSA-N 1 2 403.552 1.990 20 0 HDADLO COc1nc(C)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164834751 720479696 /nfs/dbraw/zinc/47/96/96/720479696.db2.gz UJARJVFPZFJNKM-KRWDZBQOSA-N 1 2 416.526 1.288 20 0 HDADLO CCc1cc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164783446 721418944 /nfs/dbraw/zinc/41/89/44/721418944.db2.gz IQEAXEJFNSRRDK-HZPDHXFCSA-N 1 2 400.552 1.900 20 0 HDADLO CON(C)C(=O)c1cc(C)cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009054 721710096 /nfs/dbraw/zinc/71/00/96/721710096.db2.gz NYQPIFBAQYVVSG-UHFFFAOYSA-N 1 2 401.515 1.865 20 0 HDADLO CON(C)C(=O)c1cc(C)cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009054 721710099 /nfs/dbraw/zinc/71/00/99/721710099.db2.gz NYQPIFBAQYVVSG-UHFFFAOYSA-N 1 2 401.515 1.865 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001165011078 721720053 /nfs/dbraw/zinc/72/00/53/721720053.db2.gz NRYDTYSBSIBEFO-UHFFFAOYSA-N 1 2 404.950 1.960 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CN(C)CC3)C2 ZINC001165011078 721720061 /nfs/dbraw/zinc/72/00/61/721720061.db2.gz NRYDTYSBSIBEFO-UHFFFAOYSA-N 1 2 404.950 1.960 20 0 HDADLO CCOC(=O)c1cncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910614 721767415 /nfs/dbraw/zinc/76/74/15/721767415.db2.gz JGCLUNYKPPETSH-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1cncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910614 721767424 /nfs/dbraw/zinc/76/74/24/721767424.db2.gz JGCLUNYKPPETSH-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO NC(=O)c1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914442 721784376 /nfs/dbraw/zinc/78/43/76/721784376.db2.gz DHYWOUOIIDMIQA-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914442 721784384 /nfs/dbraw/zinc/78/43/84/721784384.db2.gz DHYWOUOIIDMIQA-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO COC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1C ZINC001164917555 721786837 /nfs/dbraw/zinc/78/68/37/721786837.db2.gz YAKLUIUECPSZJK-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1C ZINC001164917555 721786842 /nfs/dbraw/zinc/78/68/42/721786842.db2.gz YAKLUIUECPSZJK-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO CCN(CC)c1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914498 721789452 /nfs/dbraw/zinc/78/94/52/721789452.db2.gz DPPMEGSBLREUFO-QFIPXVFZSA-N 1 2 412.538 1.826 20 0 HDADLO CCN(CC)c1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914498 721789456 /nfs/dbraw/zinc/78/94/56/721789456.db2.gz DPPMEGSBLREUFO-QFIPXVFZSA-N 1 2 412.538 1.826 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cncc(N5CCCC5)n4)CCO3)C2)c1 ZINC001164915224 721790265 /nfs/dbraw/zinc/79/02/65/721790265.db2.gz KLWDWVIQGPEFSQ-JOCHJYFZSA-N 1 2 410.522 1.580 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cncc(N5CCCC5)n4)CCO3)C2)c1 ZINC001164915224 721790268 /nfs/dbraw/zinc/79/02/68/721790268.db2.gz KLWDWVIQGPEFSQ-JOCHJYFZSA-N 1 2 410.522 1.580 20 0 HDADLO COc1ncc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913950 721799374 /nfs/dbraw/zinc/79/93/74/721799374.db2.gz JDRCUASPQZRDTB-LJQANCHMSA-N 1 2 405.886 1.641 20 0 HDADLO COc1ncc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913950 721799376 /nfs/dbraw/zinc/79/93/76/721799376.db2.gz JDRCUASPQZRDTB-LJQANCHMSA-N 1 2 405.886 1.641 20 0 HDADLO COc1cc(OC)nc(CN2CCN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC2)n1 ZINC001165028602 721851034 /nfs/dbraw/zinc/85/10/34/721851034.db2.gz DGDWJTGQPVFQSY-INIZCTEOSA-N 1 2 413.526 1.842 20 0 HDADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037390 721904155 /nfs/dbraw/zinc/90/41/55/721904155.db2.gz GDNCVXHKSGCWTR-AWEZNQCLSA-N 1 2 417.888 1.813 20 0 HDADLO NC(=O)N1CCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001165044079 721940763 /nfs/dbraw/zinc/94/07/63/721940763.db2.gz GXZLNBUVWDMUCK-UHFFFAOYSA-N 1 2 408.506 1.240 20 0 HDADLO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944123 721972755 /nfs/dbraw/zinc/97/27/55/721972755.db2.gz GREJSLUWOCNMCM-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944123 721972759 /nfs/dbraw/zinc/97/27/59/721972759.db2.gz GREJSLUWOCNMCM-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO COC(=O)Cc1cccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946843 721972968 /nfs/dbraw/zinc/97/29/68/721972968.db2.gz XDYAHIQZYLVYER-UHFFFAOYSA-N 1 2 408.502 1.768 20 0 HDADLO COC(=O)Cc1cccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946843 721972969 /nfs/dbraw/zinc/97/29/69/721972969.db2.gz XDYAHIQZYLVYER-UHFFFAOYSA-N 1 2 408.502 1.768 20 0 HDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164945957 721976241 /nfs/dbraw/zinc/97/62/41/721976241.db2.gz HNXNAKWIMNVWAT-UHFFFAOYSA-N 1 2 403.490 1.633 20 0 HDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164945957 721976243 /nfs/dbraw/zinc/97/62/43/721976243.db2.gz HNXNAKWIMNVWAT-UHFFFAOYSA-N 1 2 403.490 1.633 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 ZINC000673637737 1073468454 /nfs/dbraw/zinc/46/84/54/1073468454.db2.gz QXHAEBJCMSALGA-UHFFFAOYSA-N 1 2 412.494 1.533 20 0 HDADLO CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000509078038 1073475450 /nfs/dbraw/zinc/47/54/50/1073475450.db2.gz MKDAZGSDMJUCQM-XAUMDUMWSA-N 1 2 415.538 1.625 20 0 HDADLO C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)NCC[NH+]1Cc3ccccc3C1)C[C@H](C)O2 ZINC000671399028 1073506891 /nfs/dbraw/zinc/50/68/91/1073506891.db2.gz QOAACGUCTGRXMN-HYFFOGBASA-N 1 2 401.507 1.303 20 0 HDADLO O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000509096182 1073513746 /nfs/dbraw/zinc/51/37/46/1073513746.db2.gz VBALDNHMJDEQRQ-QAPCUYQASA-N 1 2 400.441 1.872 20 0 HDADLO O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000509096182 1073513758 /nfs/dbraw/zinc/51/37/58/1073513758.db2.gz VBALDNHMJDEQRQ-QAPCUYQASA-N 1 2 400.441 1.872 20 0 HDADLO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)cc1S(=O)(=O)N(C)C ZINC000509099836 1073519197 /nfs/dbraw/zinc/51/91/97/1073519197.db2.gz XPLXTBAEJLDIMT-CQSZACIVSA-N 1 2 406.508 1.972 20 0 HDADLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)cc1S(=O)(=O)N(C)C ZINC000509099836 1073519208 /nfs/dbraw/zinc/51/92/08/1073519208.db2.gz XPLXTBAEJLDIMT-CQSZACIVSA-N 1 2 406.508 1.972 20 0 HDADLO NC(=O)CC[C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)N1C(=O)c2ccccc2C1=O ZINC000673648367 1073534638 /nfs/dbraw/zinc/53/46/38/1073534638.db2.gz XVURMBQTZOSEIH-IBGZPJMESA-N 1 2 420.469 1.049 20 0 HDADLO Cc1cn(C(C)(C)C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)c[nH+]1 ZINC001004708688 1073559983 /nfs/dbraw/zinc/55/99/83/1073559983.db2.gz MKNFPVWUNPYNEE-UDFCFZJOSA-N 1 2 400.523 1.990 20 0 HDADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000429096809 1073569204 /nfs/dbraw/zinc/56/92/04/1073569204.db2.gz KWVPPEFAFWMLMC-BQFCYCMXSA-N 1 2 424.567 1.841 20 0 HDADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000429096812 1073569763 /nfs/dbraw/zinc/56/97/63/1073569763.db2.gz KWVPPEFAFWMLMC-JZXOWHBKSA-N 1 2 424.567 1.841 20 0 HDADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000429096812 1073569768 /nfs/dbraw/zinc/56/97/68/1073569768.db2.gz KWVPPEFAFWMLMC-JZXOWHBKSA-N 1 2 424.567 1.841 20 0 HDADLO O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673672473 1073626894 /nfs/dbraw/zinc/62/68/94/1073626894.db2.gz ICOQYMUFYQWJDW-FCHUYYIVSA-N 1 2 400.567 1.564 20 0 HDADLO O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673672473 1073626900 /nfs/dbraw/zinc/62/69/00/1073626900.db2.gz ICOQYMUFYQWJDW-FCHUYYIVSA-N 1 2 400.567 1.564 20 0 HDADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCc3cn4cccc(C)c4[nH+]3)ccc21 ZINC000673724959 1073656934 /nfs/dbraw/zinc/65/69/34/1073656934.db2.gz LMARXSLRKPMLPS-UHFFFAOYSA-N 1 2 419.485 1.640 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccn1 ZINC000509126397 1073658983 /nfs/dbraw/zinc/65/89/83/1073658983.db2.gz NJVVKGAZTVDHNL-QFIPXVFZSA-N 1 2 414.481 1.937 20 0 HDADLO Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673747134 1073681537 /nfs/dbraw/zinc/68/15/37/1073681537.db2.gz JMOYYPGSLAGSLX-UHFFFAOYSA-N 1 2 400.504 1.978 20 0 HDADLO O=C(NCCCn1cc[nH+]c1)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509133823 1073685740 /nfs/dbraw/zinc/68/57/40/1073685740.db2.gz AUDBCBGMBHGKTI-UHFFFAOYSA-N 1 2 403.867 1.343 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1cnn(Cc2ccccn2)c1 ZINC000673764319 1073695294 /nfs/dbraw/zinc/69/52/94/1073695294.db2.gz CPVJKINHCQZMFH-IBGZPJMESA-N 1 2 402.524 1.656 20 0 HDADLO Cc1cc(N2CCC(NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)n[nH]1 ZINC000429124638 1073696003 /nfs/dbraw/zinc/69/60/03/1073696003.db2.gz WGZMCOSRNIRVIG-IBGZPJMESA-N 1 2 408.572 1.194 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccn1 ZINC000509137769 1073696051 /nfs/dbraw/zinc/69/60/51/1073696051.db2.gz LGJJDRQQQJHXOL-OAQYLSRUSA-N 1 2 410.430 1.314 20 0 HDADLO Cc1cccn2cc(CCNC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)[nH+]c12 ZINC000673763043 1073702818 /nfs/dbraw/zinc/70/28/18/1073702818.db2.gz WQKSDWCALICLTN-UHFFFAOYSA-N 1 2 411.466 1.062 20 0 HDADLO O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781727 1073720504 /nfs/dbraw/zinc/72/05/04/1073720504.db2.gz GAJPEZWZSLGRLX-UXHICEINSA-N 1 2 417.506 1.506 20 0 HDADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1OCC ZINC000673783352 1073721588 /nfs/dbraw/zinc/72/15/88/1073721588.db2.gz SXQGKUYZMOPEBI-QGZVFWFLSA-N 1 2 405.495 1.746 20 0 HDADLO O=C(Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785548 1073726928 /nfs/dbraw/zinc/72/69/28/1073726928.db2.gz SSJJWBKWKUSMSC-GOSISDBHSA-N 1 2 400.479 1.075 20 0 HDADLO O=C(Nc1cccnc1OCc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785584 1073727057 /nfs/dbraw/zinc/72/70/57/1073727057.db2.gz UGDGLOTUWCEOMT-IBGZPJMESA-N 1 2 424.501 1.922 20 0 HDADLO O=C(Nc1ccc(Cc2ccncc2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785098 1073728785 /nfs/dbraw/zinc/72/87/85/1073728785.db2.gz NTMPWFWGZWRNHX-NRFANRHFSA-N 1 2 408.502 1.934 20 0 HDADLO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429132897 1073737238 /nfs/dbraw/zinc/73/72/38/1073737238.db2.gz XOORIOOUUCWQND-CQSZACIVSA-N 1 2 423.470 1.180 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccccn1 ZINC000509148268 1073750168 /nfs/dbraw/zinc/75/01/68/1073750168.db2.gz AHZQGYQYFPJVLZ-IBGZPJMESA-N 1 2 413.413 1.203 20 0 HDADLO CNC(=O)c1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000015469554 1073767132 /nfs/dbraw/zinc/76/71/32/1073767132.db2.gz ARIYVPVYPWQHCK-SFHVURJKSA-N 1 2 411.458 1.827 20 0 HDADLO CNC(=O)c1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000015469554 1073767142 /nfs/dbraw/zinc/76/71/42/1073767142.db2.gz ARIYVPVYPWQHCK-SFHVURJKSA-N 1 2 411.458 1.827 20 0 HDADLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)[nH+]c12 ZINC000673823923 1073769014 /nfs/dbraw/zinc/76/90/14/1073769014.db2.gz DOAHXTLGVLESCH-UHFFFAOYSA-N 1 2 407.517 1.708 20 0 HDADLO CC[NH+]1CCN(C(=O)C(=O)NCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000673827748 1073774403 /nfs/dbraw/zinc/77/44/03/1073774403.db2.gz SLUSCFKZJZVOQE-UHFFFAOYSA-N 1 2 408.300 1.186 20 0 HDADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c(I)cnn2C)C[C@H](C)O1 ZINC000509157638 1073784004 /nfs/dbraw/zinc/78/40/04/1073784004.db2.gz ZWJLQDIVXHXOGW-PHIMTYICSA-N 1 2 406.268 1.206 20 0 HDADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2c(I)cnn2C)C[C@H](C)O1 ZINC000509157638 1073784010 /nfs/dbraw/zinc/78/40/10/1073784010.db2.gz ZWJLQDIVXHXOGW-PHIMTYICSA-N 1 2 406.268 1.206 20 0 HDADLO COc1cccc2c1OCC[C@H]2NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872691 1073837431 /nfs/dbraw/zinc/83/74/31/1073837431.db2.gz VJZZIARPKCLGPA-QGZVFWFLSA-N 1 2 401.467 1.869 20 0 HDADLO C[C@H](CNC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000429171128 1073932449 /nfs/dbraw/zinc/93/24/49/1073932449.db2.gz ZNIFXYYRPXTJPG-MRXNPFEDSA-N 1 2 404.511 1.780 20 0 HDADLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000429176732 1073958106 /nfs/dbraw/zinc/95/81/06/1073958106.db2.gz PJRPBVHWYKEORX-UHFFFAOYSA-N 1 2 423.583 1.329 20 0 HDADLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000429176732 1073958112 /nfs/dbraw/zinc/95/81/12/1073958112.db2.gz PJRPBVHWYKEORX-UHFFFAOYSA-N 1 2 423.583 1.329 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c(-c3cccnc3)nnc2N(C)CCOC)nc[nH+]1 ZINC001299290106 1073958127 /nfs/dbraw/zinc/95/81/27/1073958127.db2.gz GCAUPIMPQUAJPZ-QGZVFWFLSA-N 1 2 423.525 1.923 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c(-c3cccnc3)nnc2N(C)CCOC)[nH+]cn1 ZINC001299290106 1073958129 /nfs/dbraw/zinc/95/81/29/1073958129.db2.gz GCAUPIMPQUAJPZ-QGZVFWFLSA-N 1 2 423.525 1.923 20 0 HDADLO C[C@@H](C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000785472152 1073958581 /nfs/dbraw/zinc/95/85/81/1073958581.db2.gz KVGWIKWUNIJWBD-INIZCTEOSA-N 1 2 401.515 1.693 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429180735 1073972854 /nfs/dbraw/zinc/97/28/54/1073972854.db2.gz KNYIFFVTVSKGEO-JAXLGGSGSA-N 1 2 423.529 1.234 20 0 HDADLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001005045536 1073980404 /nfs/dbraw/zinc/98/04/04/1073980404.db2.gz IGRDQBAZEKXPFM-SBTMMUQCSA-N 1 2 404.474 1.962 20 0 HDADLO CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527445 1074010034 /nfs/dbraw/zinc/01/00/34/1074010034.db2.gz BVCAVKIXXDXARQ-UHFFFAOYSA-N 1 2 414.300 1.311 20 0 HDADLO O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543528194 1074014703 /nfs/dbraw/zinc/01/47/03/1074014703.db2.gz LGLFTMIJSVNFMQ-UHFFFAOYSA-N 1 2 407.392 1.846 20 0 HDADLO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C(=O)N1CC[NH+](CCO)CC1 ZINC000543528910 1074017856 /nfs/dbraw/zinc/01/78/56/1074017856.db2.gz ZKXYDFYRDMUFKU-UHFFFAOYSA-N 1 2 409.792 1.356 20 0 HDADLO COc1c(Br)cc(Cl)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543530349 1074019274 /nfs/dbraw/zinc/01/92/74/1074019274.db2.gz WYBLGHSQAIYYKG-UHFFFAOYSA-N 1 2 420.691 1.186 20 0 HDADLO C[C@](CO)(CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)Cc1ccccc1 ZINC000484509030 1074024384 /nfs/dbraw/zinc/02/43/84/1074024384.db2.gz RAKUYVHSKWEKEF-OAQYLSRUSA-N 1 2 401.511 1.578 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000543536610 1074046176 /nfs/dbraw/zinc/04/61/76/1074046176.db2.gz GQKOIWWCPIPJCG-HXUWFJFHSA-N 1 2 414.481 1.940 20 0 HDADLO Cc1nsc(N2CCN(C/C=C/C[NH+]3CCN(c4nc(C)ns4)CC3)CC2)n1 ZINC000674008124 1074057441 /nfs/dbraw/zinc/05/74/41/1074057441.db2.gz XWCUTGVPUQFINH-ONEGZZNKSA-N 1 2 420.612 1.507 20 0 HDADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013768 1074062957 /nfs/dbraw/zinc/06/29/57/1074062957.db2.gz QZPBCAQLLWRYGU-IFXJQAMLSA-N 1 2 405.495 1.967 20 0 HDADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013768 1074062963 /nfs/dbraw/zinc/06/29/63/1074062963.db2.gz QZPBCAQLLWRYGU-IFXJQAMLSA-N 1 2 405.495 1.967 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCC(O[C@@H]3CCOC3)CC2)CC1 ZINC000674020410 1074077574 /nfs/dbraw/zinc/07/75/74/1074077574.db2.gz MYYLJCWIZJMPOJ-GOSISDBHSA-N 1 2 416.522 1.876 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2-c2nncn2CC)CC1 ZINC000543556601 1074096183 /nfs/dbraw/zinc/09/61/83/1074096183.db2.gz GIDMAZURSKESDF-UHFFFAOYSA-N 1 2 400.483 1.084 20 0 HDADLO CCOc1cc(NC2CCN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC2)ncn1 ZINC000466625428 1074149090 /nfs/dbraw/zinc/14/90/90/1074149090.db2.gz LSOAOIFMFKYMHS-MRXNPFEDSA-N 1 2 413.526 1.955 20 0 HDADLO CCOc1cc(NC2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC2)ncn1 ZINC000466625428 1074149093 /nfs/dbraw/zinc/14/90/93/1074149093.db2.gz LSOAOIFMFKYMHS-MRXNPFEDSA-N 1 2 413.526 1.955 20 0 HDADLO CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001128642729 1074200523 /nfs/dbraw/zinc/20/05/23/1074200523.db2.gz LQTXIELQYOIFKV-SUMWQHHRSA-N 1 2 412.328 1.805 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000674198047 1074211997 /nfs/dbraw/zinc/21/19/97/1074211997.db2.gz ISVOEHCWHMUMHP-IBGZPJMESA-N 1 2 424.549 1.892 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)c2)CC1 ZINC000674197643 1074212896 /nfs/dbraw/zinc/21/28/96/1074212896.db2.gz BFIWDSLEKCSVLZ-SFHVURJKSA-N 1 2 410.522 1.502 20 0 HDADLO NC(=O)CCSc1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674201821 1074217084 /nfs/dbraw/zinc/21/70/84/1074217084.db2.gz GAMOUGAAWJLPNK-AWEZNQCLSA-N 1 2 401.492 1.653 20 0 HDADLO O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202808 1074217665 /nfs/dbraw/zinc/21/76/65/1074217665.db2.gz VQSFKHXZHRXGIN-INIZCTEOSA-N 1 2 421.457 1.691 20 0 HDADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674202334 1074218513 /nfs/dbraw/zinc/21/85/13/1074218513.db2.gz RZHLQJYKXJKVKA-OAHLLOKOSA-N 1 2 412.479 1.383 20 0 HDADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674204197 1074219330 /nfs/dbraw/zinc/21/93/30/1074219330.db2.gz VOMBZBXMFLPKOO-MRXNPFEDSA-N 1 2 419.507 1.372 20 0 HDADLO Cc1noc(COc2ccc(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)n1 ZINC000674205389 1074221626 /nfs/dbraw/zinc/22/16/26/1074221626.db2.gz ZYDMLLCMESOMHB-INIZCTEOSA-N 1 2 410.434 1.956 20 0 HDADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Nc3cnn(CC(=O)NCCO)c3)n2)C1 ZINC000429223852 1074247191 /nfs/dbraw/zinc/24/71/91/1074247191.db2.gz AHCHCDLPAAEBHI-ZDUSSCGKSA-N 1 2 421.527 1.324 20 0 HDADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Nc3cnn(CC(=O)NCCO)c3)n2)C1 ZINC000429223852 1074247199 /nfs/dbraw/zinc/24/71/99/1074247199.db2.gz AHCHCDLPAAEBHI-ZDUSSCGKSA-N 1 2 421.527 1.324 20 0 HDADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)C1 ZINC000674276860 1074258972 /nfs/dbraw/zinc/25/89/72/1074258972.db2.gz KMFUKYKAMWSKTB-QWFCFKBJSA-N 1 2 407.530 1.688 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000674298610 1074263245 /nfs/dbraw/zinc/26/32/45/1074263245.db2.gz TUJKBQIURADMRN-UHOSZYNNSA-N 1 2 400.523 1.840 20 0 HDADLO COc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000038528127 1074284013 /nfs/dbraw/zinc/28/40/13/1074284013.db2.gz ZSNMFBNUBIUITC-UHFFFAOYSA-N 1 2 412.494 1.354 20 0 HDADLO COc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000038528127 1074284017 /nfs/dbraw/zinc/28/40/17/1074284017.db2.gz ZSNMFBNUBIUITC-UHFFFAOYSA-N 1 2 412.494 1.354 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000674369088 1074298097 /nfs/dbraw/zinc/29/80/97/1074298097.db2.gz XPTAFLZROACHGG-GOSISDBHSA-N 1 2 404.507 1.421 20 0 HDADLO Cc1ccc(Oc2ccc(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)nn1 ZINC000674384003 1074306947 /nfs/dbraw/zinc/30/69/47/1074306947.db2.gz PVSXLFWIWFQKMZ-QGZVFWFLSA-N 1 2 401.467 1.734 20 0 HDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674437931 1074335498 /nfs/dbraw/zinc/33/54/98/1074335498.db2.gz FTHPLPGTUOXYOC-KUDFPVQQSA-N 1 2 414.510 1.190 20 0 HDADLO Cc1cc(N2CCN(C(=O)CS(=O)(=O)c3nccs3)CC2)nc(C(C)C)[nH+]1 ZINC000141065858 1074385972 /nfs/dbraw/zinc/38/59/72/1074385972.db2.gz VJOAPLDIJCLHEX-UHFFFAOYSA-N 1 2 409.537 1.487 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000674501025 1074394437 /nfs/dbraw/zinc/39/44/37/1074394437.db2.gz GRXDCWHMDXZCML-CQSZACIVSA-N 1 2 414.384 1.170 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000674501025 1074394443 /nfs/dbraw/zinc/39/44/43/1074394443.db2.gz GRXDCWHMDXZCML-CQSZACIVSA-N 1 2 414.384 1.170 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3cccc(COC(C)C)c3)CCN2C1=O ZINC000674501940 1074397251 /nfs/dbraw/zinc/39/72/51/1074397251.db2.gz ORWCGWSPGKAWFK-GOSISDBHSA-N 1 2 402.495 1.196 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3cccc(COC(C)C)c3)CCN2C1=O ZINC000674501940 1074397261 /nfs/dbraw/zinc/39/72/61/1074397261.db2.gz ORWCGWSPGKAWFK-GOSISDBHSA-N 1 2 402.495 1.196 20 0 HDADLO C[N@H+](CCN1CCCS1(=O)=O)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000674495676 1074406947 /nfs/dbraw/zinc/40/69/47/1074406947.db2.gz NEDTUUQXFNEFEC-MRXNPFEDSA-N 1 2 417.478 1.751 20 0 HDADLO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000674495676 1074406949 /nfs/dbraw/zinc/40/69/49/1074406949.db2.gz NEDTUUQXFNEFEC-MRXNPFEDSA-N 1 2 417.478 1.751 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)CCN2CCCS2(=O)=O)cc1OC ZINC000674497188 1074407400 /nfs/dbraw/zinc/40/74/00/1074407400.db2.gz XWCJVFVMXXCUAK-OAHLLOKOSA-N 1 2 413.540 1.018 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)cc1OC ZINC000674497188 1074407405 /nfs/dbraw/zinc/40/74/05/1074407405.db2.gz XWCJVFVMXXCUAK-OAHLLOKOSA-N 1 2 413.540 1.018 20 0 HDADLO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674497621 1074409955 /nfs/dbraw/zinc/40/99/55/1074409955.db2.gz JPHATZFLWZEFBB-IYBDPMFKSA-N 1 2 422.551 1.158 20 0 HDADLO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674497621 1074409961 /nfs/dbraw/zinc/40/99/61/1074409961.db2.gz JPHATZFLWZEFBB-IYBDPMFKSA-N 1 2 422.551 1.158 20 0 HDADLO C[C@H](c1cccc(NC(=O)N(C)CCN2CCCS2(=O)=O)c1)[NH+]1CCOCC1 ZINC000674564733 1074441580 /nfs/dbraw/zinc/44/15/80/1074441580.db2.gz KUWODJGTRYWKLZ-MRXNPFEDSA-N 1 2 410.540 1.579 20 0 HDADLO CCn1c(CNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc2ccccc21 ZINC000785473859 1074444568 /nfs/dbraw/zinc/44/45/68/1074444568.db2.gz ORALMNDKGZCKFT-IYBDPMFKSA-N 1 2 401.511 1.240 20 0 HDADLO CCn1c(CNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc2ccccc21 ZINC000785473859 1074444573 /nfs/dbraw/zinc/44/45/73/1074444573.db2.gz ORALMNDKGZCKFT-IYBDPMFKSA-N 1 2 401.511 1.240 20 0 HDADLO C[C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000674658576 1074504843 /nfs/dbraw/zinc/50/48/43/1074504843.db2.gz JIZVCOPUZNOAGS-OAHLLOKOSA-N 1 2 406.508 1.361 20 0 HDADLO Cn1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1=O ZINC000674763888 1074558673 /nfs/dbraw/zinc/55/86/73/1074558673.db2.gz JCHHMVHUJYEJKB-LBPRGKRZSA-N 1 2 408.256 1.147 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674921300 1074622448 /nfs/dbraw/zinc/62/24/48/1074622448.db2.gz CORFCNCEFKZCPQ-SFTDATJTSA-N 1 2 419.522 1.487 20 0 HDADLO Cc1c[nH+]c(N2CCC(OCCCO)CC2)nc1N1CCC(OCCCO)CC1 ZINC000674936332 1074637627 /nfs/dbraw/zinc/63/76/27/1074637627.db2.gz MGRGXHQKUTYSOW-UHFFFAOYSA-N 1 2 408.543 1.521 20 0 HDADLO O=C(COCc1nc2ccccc2s1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596029764 1074659295 /nfs/dbraw/zinc/65/92/95/1074659295.db2.gz MPALKSRKZYNVRX-UHFFFAOYSA-N 1 2 401.492 1.980 20 0 HDADLO O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596033083 1074671716 /nfs/dbraw/zinc/67/17/16/1074671716.db2.gz HNMGSDUSWGLCRG-UHFFFAOYSA-N 1 2 406.870 1.821 20 0 HDADLO O=C(Cc1ccc(F)c(Br)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596029626 1074673049 /nfs/dbraw/zinc/67/30/49/1074673049.db2.gz FKEWKCMTMGZBDH-UHFFFAOYSA-N 1 2 411.275 2.298 20 0 HDADLO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)nn1C1CCCCC1 ZINC000583664899 1074679965 /nfs/dbraw/zinc/67/99/65/1074679965.db2.gz UOOCHAQTTCATTM-UHFFFAOYSA-N 1 2 405.543 2.204 20 0 HDADLO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)nn1C1CCCCC1 ZINC000583664899 1074679970 /nfs/dbraw/zinc/67/99/70/1074679970.db2.gz UOOCHAQTTCATTM-UHFFFAOYSA-N 1 2 405.543 2.204 20 0 HDADLO C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000509306757 1074702305 /nfs/dbraw/zinc/70/23/05/1074702305.db2.gz YACFZGZIKGYMFQ-MRXNPFEDSA-N 1 2 415.538 1.883 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCc3n[nH]nc3C2)c1 ZINC000429314137 1074712312 /nfs/dbraw/zinc/71/23/12/1074712312.db2.gz CPQUCJPIVCMJCV-UHFFFAOYSA-N 1 2 412.903 1.095 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCc3n[nH]nc3C2)c1 ZINC000429314137 1074712321 /nfs/dbraw/zinc/71/23/21/1074712321.db2.gz CPQUCJPIVCMJCV-UHFFFAOYSA-N 1 2 412.903 1.095 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CCN2C1=O ZINC000675093226 1074717175 /nfs/dbraw/zinc/71/71/75/1074717175.db2.gz CSAOLKUPKSVIDS-INIZCTEOSA-N 1 2 400.414 1.189 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460133683 1074732080 /nfs/dbraw/zinc/73/20/80/1074732080.db2.gz YUHIVYKSPNJJOF-INIZCTEOSA-N 1 2 415.460 2.409 20 0 HDADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448503356 1074741799 /nfs/dbraw/zinc/74/17/99/1074741799.db2.gz KWDADWSFGGNBRW-UHFFFAOYSA-N 1 2 401.414 1.620 20 0 HDADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448503356 1074741804 /nfs/dbraw/zinc/74/18/04/1074741804.db2.gz KWDADWSFGGNBRW-UHFFFAOYSA-N 1 2 401.414 1.620 20 0 HDADLO O=C(c1ccco1)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218984 1074760081 /nfs/dbraw/zinc/76/00/81/1074760081.db2.gz PXZSYNDJZFNTRI-VQTJNVASSA-N 1 2 409.486 1.780 20 0 HDADLO O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219976 1074761458 /nfs/dbraw/zinc/76/14/58/1074761458.db2.gz VCPPOUBJGDHMGH-LJQANCHMSA-N 1 2 421.563 1.798 20 0 HDADLO CN(CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)c1ccc(Br)s1 ZINC000675220075 1074761471 /nfs/dbraw/zinc/76/14/71/1074761471.db2.gz ZHHOIHWAKRTMLZ-GFCCVEGCSA-N 1 2 416.341 1.516 20 0 HDADLO CCOC(=O)c1cc(NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cn1C ZINC000543617254 1074761719 /nfs/dbraw/zinc/76/17/19/1074761719.db2.gz UUJAHEMDFNELPU-UHFFFAOYSA-N 1 2 414.466 1.628 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000675219450 1074762323 /nfs/dbraw/zinc/76/23/23/1074762323.db2.gz BFFNJHZZMDZPOG-KRWDZBQOSA-N 1 2 409.552 1.572 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCOc3ccccc3F)ccn2)CC1 ZINC000543616820 1074767557 /nfs/dbraw/zinc/76/75/57/1074767557.db2.gz KMZNYPNTHZAPBS-UHFFFAOYSA-N 1 2 401.442 1.809 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000675287925 1074781026 /nfs/dbraw/zinc/78/10/26/1074781026.db2.gz SGOJFUZDLXBZFL-OAHLLOKOSA-N 1 2 403.508 1.559 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000675287925 1074781034 /nfs/dbraw/zinc/78/10/34/1074781034.db2.gz SGOJFUZDLXBZFL-OAHLLOKOSA-N 1 2 403.508 1.559 20 0 HDADLO Cc1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nnn1-c1cccc(Br)c1 ZINC000675280553 1074785474 /nfs/dbraw/zinc/78/54/74/1074785474.db2.gz ICZUHAWIUNRYLA-INIZCTEOSA-N 1 2 420.311 1.885 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000675281942 1074786070 /nfs/dbraw/zinc/78/60/70/1074786070.db2.gz XLHLGVVZTILSDF-FCHUYYIVSA-N 1 2 407.514 1.961 20 0 HDADLO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000675281394 1074786528 /nfs/dbraw/zinc/78/65/28/1074786528.db2.gz QDBAYSLZSBAEOL-GOSISDBHSA-N 1 2 409.552 1.451 20 0 HDADLO NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000675322162 1074799204 /nfs/dbraw/zinc/79/92/04/1074799204.db2.gz QHDCRFFINNHSHS-CVEARBPZSA-N 1 2 414.428 1.566 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)NC[C@@H](O)C[NH+]3CCC(C)CC3)s[nH]2)c1 ZINC000543621502 1074799443 /nfs/dbraw/zinc/79/94/43/1074799443.db2.gz QWNHJHPHRLJVHD-OAHLLOKOSA-N 1 2 405.524 1.850 20 0 HDADLO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2cnc3n2CCC3)C1 ZINC000509240952 1074802472 /nfs/dbraw/zinc/80/24/72/1074802472.db2.gz OQJZYMDGMNJLBT-HNNXBMFYSA-N 1 2 403.508 1.327 20 0 HDADLO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2cnc3n2CCC3)C1 ZINC000509240952 1074802476 /nfs/dbraw/zinc/80/24/76/1074802476.db2.gz OQJZYMDGMNJLBT-HNNXBMFYSA-N 1 2 403.508 1.327 20 0 HDADLO Cc1noc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)n1 ZINC000509321751 1074808510 /nfs/dbraw/zinc/80/85/10/1074808510.db2.gz WMZWLCRBHQAFKZ-HNNXBMFYSA-N 1 2 400.439 1.220 20 0 HDADLO CC[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccccc1OCC(=O)N(C)C ZINC000429333162 1075101743 /nfs/dbraw/zinc/10/17/43/1075101743.db2.gz KKYMALDLQCGKIY-CYBMUJFWSA-N 1 2 400.405 1.943 20 0 HDADLO Cc1cc(NC(=O)CN2CCN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)CC2)no1 ZINC000552876173 1075108796 /nfs/dbraw/zinc/10/87/96/1075108796.db2.gz PUUSBQYCPKQMIZ-GOSISDBHSA-N 1 2 422.489 2.011 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCCNC(=O)C1CCCC1 ZINC000766120102 1075124348 /nfs/dbraw/zinc/12/43/48/1075124348.db2.gz KBMBJVPCXWKMSV-UHFFFAOYSA-N 1 2 402.495 1.360 20 0 HDADLO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675405917 1075130644 /nfs/dbraw/zinc/13/06/44/1075130644.db2.gz VOWXYHHXRBAGCM-HNNXBMFYSA-N 1 2 408.455 1.369 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000675423290 1075138800 /nfs/dbraw/zinc/13/88/00/1075138800.db2.gz BYAPKTLYKRWECX-LJQANCHMSA-N 1 2 411.506 1.082 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000429345031 1075145776 /nfs/dbraw/zinc/14/57/76/1075145776.db2.gz BFTPLQFUJGHVNM-GXTWGEPZSA-N 1 2 417.441 1.840 20 0 HDADLO CCOC1CC(C[NH+]2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)C1 ZINC000509339133 1075152676 /nfs/dbraw/zinc/15/26/76/1075152676.db2.gz AHAPACLCCPWKDY-UHFFFAOYSA-N 1 2 414.524 1.804 20 0 HDADLO CCS(=O)(=O)c1cccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000675464868 1075161116 /nfs/dbraw/zinc/16/11/16/1075161116.db2.gz ZMLPYKNFGWVTIP-UHFFFAOYSA-N 1 2 407.517 1.957 20 0 HDADLO COC[C@@H](NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)c1ccc(Cl)cc1 ZINC000675472002 1075168005 /nfs/dbraw/zinc/16/80/05/1075168005.db2.gz GXMFVQYCVYHKBT-GOSISDBHSA-N 1 2 411.930 1.713 20 0 HDADLO COCCNc1ccccc1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000431852234 1075177901 /nfs/dbraw/zinc/17/79/01/1075177901.db2.gz VQOYVBBFHUNMKS-UHFFFAOYSA-N 1 2 402.499 1.595 20 0 HDADLO COCCO[C@H]1C[C@H](CO)CN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC000519862741 1075184837 /nfs/dbraw/zinc/18/48/37/1075184837.db2.gz HCWHOFPPLLVOGS-ICSRJNTNSA-N 1 2 414.506 1.883 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccc2nnc(C3CCC3)n2c1 ZINC000580454529 1075190011 /nfs/dbraw/zinc/19/00/11/1075190011.db2.gz OIUZMSFGHLEPSH-UHFFFAOYSA-N 1 2 410.482 2.170 20 0 HDADLO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000468451664 1075194128 /nfs/dbraw/zinc/19/41/28/1075194128.db2.gz PPGRQTKMYNQSGW-UHFFFAOYSA-N 1 2 419.489 1.640 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675568521 1075207644 /nfs/dbraw/zinc/20/76/44/1075207644.db2.gz BSUBPZRAFDCRFD-KRWDZBQOSA-N 1 2 404.515 1.128 20 0 HDADLO COCCn1ccc(NC(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)n1 ZINC000483360726 1075211869 /nfs/dbraw/zinc/21/18/69/1075211869.db2.gz QSUFDHIAVMMPRE-UHFFFAOYSA-N 1 2 403.483 1.767 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCc2ccc(F)cc2C)CC1 ZINC000675583314 1075212903 /nfs/dbraw/zinc/21/29/03/1075212903.db2.gz NGJSZOHODHXCQV-UHFFFAOYSA-N 1 2 420.529 1.196 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCc2ccc(F)cc2C)CC1 ZINC000675583314 1075212904 /nfs/dbraw/zinc/21/29/04/1075212904.db2.gz NGJSZOHODHXCQV-UHFFFAOYSA-N 1 2 420.529 1.196 20 0 HDADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)no1 ZINC000532178687 1075225404 /nfs/dbraw/zinc/22/54/04/1075225404.db2.gz BQSYSXBMQLYPSI-JYJNAYRXSA-N 1 2 410.540 1.803 20 0 HDADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675594109 1075231895 /nfs/dbraw/zinc/23/18/95/1075231895.db2.gz ATFZEIAHXSGZIH-INIZCTEOSA-N 1 2 403.508 1.237 20 0 HDADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675594109 1075231899 /nfs/dbraw/zinc/23/18/99/1075231899.db2.gz ATFZEIAHXSGZIH-INIZCTEOSA-N 1 2 403.508 1.237 20 0 HDADLO O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435631413 1075232267 /nfs/dbraw/zinc/23/22/67/1075232267.db2.gz CYLKMTLZJVBMIR-UHFFFAOYSA-N 1 2 413.869 2.048 20 0 HDADLO O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435631413 1075232272 /nfs/dbraw/zinc/23/22/72/1075232272.db2.gz CYLKMTLZJVBMIR-UHFFFAOYSA-N 1 2 413.869 2.048 20 0 HDADLO CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000675614870 1075240004 /nfs/dbraw/zinc/24/00/04/1075240004.db2.gz PXJDYLDQRVLJKH-LBPRGKRZSA-N 1 2 400.292 1.800 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000675706791 1075258905 /nfs/dbraw/zinc/25/89/05/1075258905.db2.gz UMOFTKVMYAEIQQ-CEWLAPEOSA-N 1 2 418.497 1.467 20 0 HDADLO NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675787527 1075271838 /nfs/dbraw/zinc/27/18/38/1075271838.db2.gz VROVRWHNNICARV-QFIPXVFZSA-N 1 2 421.501 1.122 20 0 HDADLO NC(=O)[C@H]1c2ccccc2CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675787526 1075271892 /nfs/dbraw/zinc/27/18/92/1075271892.db2.gz VROVRWHNNICARV-JOCHJYFZSA-N 1 2 421.501 1.122 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675811400 1075275087 /nfs/dbraw/zinc/27/50/87/1075275087.db2.gz RULAOJXOUQEREG-PXNSSMCTSA-N 1 2 410.584 1.427 20 0 HDADLO O=S(=O)(NCC1CC1)c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000461455106 1075278409 /nfs/dbraw/zinc/27/84/09/1075278409.db2.gz XCHIRFJYOUZIDH-LJQANCHMSA-N 1 2 416.547 2.083 20 0 HDADLO O=S(=O)(NCC1CC1)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000461455106 1075278414 /nfs/dbraw/zinc/27/84/14/1075278414.db2.gz XCHIRFJYOUZIDH-LJQANCHMSA-N 1 2 416.547 2.083 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675832012 1075279891 /nfs/dbraw/zinc/27/98/91/1075279891.db2.gz CLUJRUOBDCXHOZ-LJQANCHMSA-N 1 2 410.522 1.916 20 0 HDADLO NC(=O)c1ccc(NC(=O)CCN2C(=O)COc3ccccc32)c(-n2cc[nH+]c2)c1 ZINC001129108397 1075287099 /nfs/dbraw/zinc/28/70/99/1075287099.db2.gz OXQWDLJIKTWWMP-UHFFFAOYSA-N 1 2 405.414 1.725 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)CC2)c1 ZINC000675926126 1075292895 /nfs/dbraw/zinc/29/28/95/1075292895.db2.gz OOZJMHNDMZVVES-FQEVSTJZSA-N 1 2 411.506 1.677 20 0 HDADLO Cc1ccc(N2C[C@@H](C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2=O)cc1F ZINC000731335752 1075308258 /nfs/dbraw/zinc/30/82/58/1075308258.db2.gz JPSSZMQGVJDDJK-INIZCTEOSA-N 1 2 415.469 1.654 20 0 HDADLO Cc1ccc(N2C[C@H](C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2=O)cc1F ZINC000731335755 1075308266 /nfs/dbraw/zinc/30/82/66/1075308266.db2.gz JPSSZMQGVJDDJK-MRXNPFEDSA-N 1 2 415.469 1.654 20 0 HDADLO CCc1ccc(N2C[C@H](C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2=O)cc1 ZINC000731336522 1075308702 /nfs/dbraw/zinc/30/87/02/1075308702.db2.gz QCLVYMNKEPETBG-GOSISDBHSA-N 1 2 411.506 1.769 20 0 HDADLO Cc1ccc(Nc2cccc(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)c2)nn1 ZINC000535260275 1075318168 /nfs/dbraw/zinc/31/81/68/1075318168.db2.gz HAVDWJYIHLFHIG-UHFFFAOYSA-N 1 2 418.505 1.871 20 0 HDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000676026187 1075328808 /nfs/dbraw/zinc/32/88/08/1075328808.db2.gz GWYLKMVSWZAMTH-WOJBJXKFSA-N 1 2 416.566 1.885 20 0 HDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000676026187 1075328811 /nfs/dbraw/zinc/32/88/11/1075328811.db2.gz GWYLKMVSWZAMTH-WOJBJXKFSA-N 1 2 416.566 1.885 20 0 HDADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000543654211 1075331994 /nfs/dbraw/zinc/33/19/94/1075331994.db2.gz SGPPJCQERCBOEH-UHFFFAOYSA-N 1 2 402.925 1.812 20 0 HDADLO COc1ccc(C(=O)CCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1OC ZINC000520915197 1075355256 /nfs/dbraw/zinc/35/52/56/1075355256.db2.gz GNQOTZYNYKKANI-UHFFFAOYSA-N 1 2 416.478 1.834 20 0 HDADLO CCOc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1Cl ZINC000446835828 1075370467 /nfs/dbraw/zinc/37/04/67/1075370467.db2.gz NFYOPDAZOLKOHT-UHFFFAOYSA-N 1 2 421.885 1.845 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429396970 1075381498 /nfs/dbraw/zinc/38/14/98/1075381498.db2.gz YAJBXQSGLAFYAW-OAHLLOKOSA-N 1 2 414.428 1.784 20 0 HDADLO CC[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1nnc2n1CCCCC2 ZINC000804101042 1075401520 /nfs/dbraw/zinc/40/15/20/1075401520.db2.gz KAOGYRKETYJDFO-CVEARBPZSA-N 1 2 413.526 1.712 20 0 HDADLO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1nnc2n1CCCCC2 ZINC000804101044 1075401613 /nfs/dbraw/zinc/40/16/13/1075401613.db2.gz KAOGYRKETYJDFO-HZPDHXFCSA-N 1 2 413.526 1.712 20 0 HDADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(c2cccs2)CC1 ZINC000466716806 1075408101 /nfs/dbraw/zinc/40/81/01/1075408101.db2.gz BEDGOZKFHHYOOA-HNNXBMFYSA-N 1 2 422.576 1.265 20 0 HDADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)n1Cc1ccccn1 ZINC000731648271 1075426391 /nfs/dbraw/zinc/42/63/91/1075426391.db2.gz JLDBOTYJGBVKFZ-UHFFFAOYSA-N 1 2 418.563 1.787 20 0 HDADLO C[C@@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)NC(=O)C1CCCCC1 ZINC000731649286 1075428214 /nfs/dbraw/zinc/42/82/14/1075428214.db2.gz KSUFLOJBEJNFCL-HNNXBMFYSA-N 1 2 401.573 1.087 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648770 1075429620 /nfs/dbraw/zinc/42/96/20/1075429620.db2.gz TTWWKEXZTINCQX-HNNXBMFYSA-N 1 2 403.545 1.011 20 0 HDADLO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648660 1075430317 /nfs/dbraw/zinc/43/03/17/1075430317.db2.gz QEXVJZPZFHEXOE-HOCLYGCPSA-N 1 2 419.588 1.551 20 0 HDADLO Cc1cc(C)n(Cc2cccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2)n1 ZINC000731650462 1075430785 /nfs/dbraw/zinc/43/07/85/1075430785.db2.gz FKEXPEVGLNQZMV-UHFFFAOYSA-N 1 2 418.563 1.787 20 0 HDADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nnn1-c1ccc(C)cc1 ZINC000731650365 1075431425 /nfs/dbraw/zinc/43/14/25/1075431425.db2.gz FWEASWIUIRZVMV-UHFFFAOYSA-N 1 2 405.524 1.123 20 0 HDADLO Cc1cc(C)cc(N2CC[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)c1 ZINC000731650189 1075431838 /nfs/dbraw/zinc/43/18/38/1075431838.db2.gz ISOFVYIOSZUGKQ-IBGZPJMESA-N 1 2 421.563 1.282 20 0 HDADLO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650291 1075432269 /nfs/dbraw/zinc/43/22/69/1075432269.db2.gz AIASECAYPSEYKH-HNNXBMFYSA-N 1 2 405.520 1.127 20 0 HDADLO COc1ccc2cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c(C)nc2c1 ZINC000731651069 1075433996 /nfs/dbraw/zinc/43/39/96/1075433996.db2.gz VEEXWXDIBGHSDV-UHFFFAOYSA-N 1 2 405.520 1.791 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000731651166 1075434558 /nfs/dbraw/zinc/43/45/58/1075434558.db2.gz VVLARQIZHNQANZ-UHFFFAOYSA-N 1 2 408.442 1.753 20 0 HDADLO Cc1ccc(C(=O)N[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C(C)C)cc1 ZINC000731651003 1075434990 /nfs/dbraw/zinc/43/49/90/1075434990.db2.gz PSIDFIWVWZAMMZ-IBGZPJMESA-N 1 2 423.579 1.375 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000731686255 1075446608 /nfs/dbraw/zinc/44/66/08/1075446608.db2.gz QXXHFUORCTVPFA-UHFFFAOYSA-N 1 2 416.931 1.087 20 0 HDADLO COc1ccc2c(c1)CCCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C2 ZINC000731685680 1075448976 /nfs/dbraw/zinc/44/89/76/1075448976.db2.gz BIMYNAMIDWQHGJ-UHFFFAOYSA-N 1 2 409.552 1.662 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)C[C@H](C)O1 ZINC000509391197 1075452156 /nfs/dbraw/zinc/45/21/56/1075452156.db2.gz XTHLJUTYZITXIP-CALCHBBNSA-N 1 2 423.579 1.872 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000731680277 1075462351 /nfs/dbraw/zinc/46/23/51/1075462351.db2.gz GQJRAJIXZPBMJF-UHFFFAOYSA-N 1 2 419.551 1.223 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2coc(-c3cccs3)n2)CC1 ZINC000731680228 1075462852 /nfs/dbraw/zinc/46/28/52/1075462852.db2.gz DRNPLFYWPFCHSF-UHFFFAOYSA-N 1 2 412.537 1.711 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2-n2cccn2)CC1 ZINC000731681355 1075463340 /nfs/dbraw/zinc/46/33/40/1075463340.db2.gz AXWBXHUFAJETGZ-UHFFFAOYSA-N 1 2 405.524 1.181 20 0 HDADLO CS(=O)(=O)CCN1CCC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000731680978 1075464196 /nfs/dbraw/zinc/46/41/96/1075464196.db2.gz BVQIBKCRSPPUQE-UHFFFAOYSA-N 1 2 419.551 1.240 20 0 HDADLO CC(C)c1ccc(OCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731681848 1075465127 /nfs/dbraw/zinc/46/51/27/1075465127.db2.gz JNTATPVAZXTKPR-UHFFFAOYSA-N 1 2 411.568 1.997 20 0 HDADLO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000546821005 1075467349 /nfs/dbraw/zinc/46/73/49/1075467349.db2.gz QNCODUGDHONQIP-OAHLLOKOSA-N 1 2 417.535 1.824 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000676271450 1075474160 /nfs/dbraw/zinc/47/41/60/1075474160.db2.gz IHTAEKSFESPPSH-UHFFFAOYSA-N 1 2 402.499 1.592 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](CO)[C@H](C)c1ccccc1 ZINC000676274554 1075475123 /nfs/dbraw/zinc/47/51/23/1075475123.db2.gz HSEZQNUNTXKAIC-BEFAXECRSA-N 1 2 412.490 1.446 20 0 HDADLO Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001129202030 1075490779 /nfs/dbraw/zinc/49/07/79/1075490779.db2.gz NUUUQRCZXCKDIS-UHFFFAOYSA-N 1 2 405.867 1.958 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2F)CC1 ZINC000731765734 1075501624 /nfs/dbraw/zinc/50/16/24/1075501624.db2.gz YEMUUUCVJHLIMF-UHFFFAOYSA-N 1 2 405.879 1.043 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(-n2cc[nH+]c2)ccn1 ZINC001005799548 1075506458 /nfs/dbraw/zinc/50/64/58/1075506458.db2.gz BIRFEHOYMCHOIP-VFCLNGDNSA-N 1 2 407.474 1.697 20 0 HDADLO COc1coc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)CC3)cc1=O ZINC001035755018 1075506497 /nfs/dbraw/zinc/50/64/97/1075506497.db2.gz MTKJKUUGBHEJPP-DFMFOVPYSA-N 1 2 400.475 1.496 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000731752106 1075508611 /nfs/dbraw/zinc/50/86/11/1075508611.db2.gz PCGFAJRBZWAXKT-UHFFFAOYSA-N 1 2 408.524 1.209 20 0 HDADLO COC(=O)c1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1Cl ZINC000731752800 1075510047 /nfs/dbraw/zinc/51/00/47/1075510047.db2.gz PEQQERHEIAVQGL-UHFFFAOYSA-N 1 2 417.915 1.757 20 0 HDADLO COc1ccccc1-n1c(C)nnc1SCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340912 1075513938 /nfs/dbraw/zinc/51/39/38/1075513938.db2.gz MGTJCCWIKPNIKJ-MRXNPFEDSA-N 1 2 417.535 1.610 20 0 HDADLO COc1ccccc1-n1c(C)nnc1SCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340910 1075514038 /nfs/dbraw/zinc/51/40/38/1075514038.db2.gz MGTJCCWIKPNIKJ-INIZCTEOSA-N 1 2 417.535 1.610 20 0 HDADLO Cc1ccc(C)n1C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761095 1075515688 /nfs/dbraw/zinc/51/56/88/1075515688.db2.gz RHPCEUYIGSBFBP-UHFFFAOYSA-N 1 2 410.584 1.960 20 0 HDADLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)c2)cc1 ZINC000676343018 1075516057 /nfs/dbraw/zinc/51/60/57/1075516057.db2.gz UNWBDEFDEXOXPR-SFHVURJKSA-N 1 2 403.504 1.580 20 0 HDADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@H]1C[N@H+](C)CCO1 ZINC000676348687 1075520899 /nfs/dbraw/zinc/52/08/99/1075520899.db2.gz RAHASIPGDMQFNU-RYGJVYDSSA-N 1 2 411.502 1.985 20 0 HDADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000676348687 1075520902 /nfs/dbraw/zinc/52/09/02/1075520902.db2.gz RAHASIPGDMQFNU-RYGJVYDSSA-N 1 2 411.502 1.985 20 0 HDADLO Cc1[nH]c(=O)c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1Br ZINC000426994123 1075525290 /nfs/dbraw/zinc/52/52/90/1075525290.db2.gz YISLKUYNWLPXPW-UHFFFAOYSA-N 1 2 410.272 1.639 20 0 HDADLO CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000429434756 1075534465 /nfs/dbraw/zinc/53/44/65/1075534465.db2.gz RPNUTBIXRCMURL-CYBMUJFWSA-N 1 2 400.464 1.609 20 0 HDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000731862165 1075542001 /nfs/dbraw/zinc/54/20/01/1075542001.db2.gz CRNBZBUIVPNREP-CYBMUJFWSA-N 1 2 412.899 1.493 20 0 HDADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467388720 1075547245 /nfs/dbraw/zinc/54/72/45/1075547245.db2.gz IIWITYLRTCWLCL-OAHLLOKOSA-N 1 2 403.531 2.358 20 0 HDADLO C[C@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000731892394 1075557970 /nfs/dbraw/zinc/55/79/70/1075557970.db2.gz KQGQLPYMEBFTLN-CQSZACIVSA-N 1 2 423.926 1.536 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cccc(-n4cccn4)c3)c[nH+]2)CC1 ZINC000676494690 1075565683 /nfs/dbraw/zinc/56/56/83/1075565683.db2.gz CMVXFNTXSZGCEF-UHFFFAOYSA-N 1 2 412.519 1.961 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cc2c(c(Cl)c1)OCO2 ZINC000731964320 1075578072 /nfs/dbraw/zinc/57/80/72/1075578072.db2.gz YFSNFTNGVZQRKI-MRXNPFEDSA-N 1 2 424.881 1.825 20 0 HDADLO CC[C@H]1C[N@H+](CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CCO1 ZINC000429445736 1075581119 /nfs/dbraw/zinc/58/11/19/1075581119.db2.gz IWNLKTHFQHJIDT-AWEZNQCLSA-N 1 2 403.932 1.235 20 0 HDADLO CC[C@H]1C[N@@H+](CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CCO1 ZINC000429445736 1075581123 /nfs/dbraw/zinc/58/11/23/1075581123.db2.gz IWNLKTHFQHJIDT-AWEZNQCLSA-N 1 2 403.932 1.235 20 0 HDADLO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CCO2 ZINC000676528907 1075582191 /nfs/dbraw/zinc/58/21/91/1075582191.db2.gz BCQQBGDQXWOYLI-SFHVURJKSA-N 1 2 419.522 1.594 20 0 HDADLO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CCO2 ZINC000676528907 1075582194 /nfs/dbraw/zinc/58/21/94/1075582194.db2.gz BCQQBGDQXWOYLI-SFHVURJKSA-N 1 2 419.522 1.594 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000676551005 1075584531 /nfs/dbraw/zinc/58/45/31/1075584531.db2.gz GPOWXSTVNJLDML-SFHVURJKSA-N 1 2 401.442 1.267 20 0 HDADLO Cc1cccc(NC(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000731987713 1075586507 /nfs/dbraw/zinc/58/65/07/1075586507.db2.gz VIXGNWLRRBTYGH-GOSISDBHSA-N 1 2 403.479 1.190 20 0 HDADLO CC[C@@H]1c2ccccc2CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000676550458 1075596878 /nfs/dbraw/zinc/59/68/78/1075596878.db2.gz FVTULRJXGBLUOI-LJQANCHMSA-N 1 2 411.506 1.690 20 0 HDADLO Cc1c([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)nnn1-c1cccc(Cl)c1 ZINC000429448660 1075598074 /nfs/dbraw/zinc/59/80/74/1075598074.db2.gz JJSTVTTWHIMKNG-LBPRGKRZSA-N 1 2 400.936 1.712 20 0 HDADLO CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001078995722 1075600394 /nfs/dbraw/zinc/60/03/94/1075600394.db2.gz XENHKZTUKYMZQR-KKEPMVJESA-N 1 2 400.523 1.926 20 0 HDADLO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804171180 1075601800 /nfs/dbraw/zinc/60/18/00/1075601800.db2.gz DVFIAAWSCLYSSO-FPMFFAJLSA-N 1 2 407.471 1.633 20 0 HDADLO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804171180 1075601802 /nfs/dbraw/zinc/60/18/02/1075601802.db2.gz DVFIAAWSCLYSSO-FPMFFAJLSA-N 1 2 407.471 1.633 20 0 HDADLO Cn1nc2ccccc2c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001006139094 1075621833 /nfs/dbraw/zinc/62/18/33/1075621833.db2.gz HXHBVZURRXPRBN-FJEFICBHSA-N 1 2 404.474 1.962 20 0 HDADLO Cn1nc2ccccc2c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001006139094 1075621839 /nfs/dbraw/zinc/62/18/39/1075621839.db2.gz HXHBVZURRXPRBN-FJEFICBHSA-N 1 2 404.474 1.962 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000584792396 1075626735 /nfs/dbraw/zinc/62/67/35/1075626735.db2.gz QEVRNWSLJLIQQH-UHFFFAOYSA-N 1 2 419.507 2.169 20 0 HDADLO Cn1ncc2c1nc(CCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[nH]c2=O ZINC000732166335 1075644539 /nfs/dbraw/zinc/64/45/39/1075644539.db2.gz YOPYWYFJKLURLV-KRWDZBQOSA-N 1 2 424.505 1.061 20 0 HDADLO Cc1nnnn1-c1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000071905683 1075652522 /nfs/dbraw/zinc/65/25/22/1075652522.db2.gz VBFCAJOCXXAQTP-HXUWFJFHSA-N 1 2 407.478 1.993 20 0 HDADLO Cc1nnnn1-c1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000071905683 1075652525 /nfs/dbraw/zinc/65/25/25/1075652525.db2.gz VBFCAJOCXXAQTP-HXUWFJFHSA-N 1 2 407.478 1.993 20 0 HDADLO COc1ccc(-c2nnn(C[N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)n2)cc1OC ZINC000732190923 1075655408 /nfs/dbraw/zinc/65/54/08/1075655408.db2.gz MCOOIANZGSZLBE-MRXNPFEDSA-N 1 2 400.483 1.649 20 0 HDADLO COc1ccc(-c2nnn(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)n2)cc1OC ZINC000732190923 1075655412 /nfs/dbraw/zinc/65/54/12/1075655412.db2.gz MCOOIANZGSZLBE-MRXNPFEDSA-N 1 2 400.483 1.649 20 0 HDADLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000676706107 1075656210 /nfs/dbraw/zinc/65/62/10/1075656210.db2.gz DYGMESSMMNMCLC-HNNXBMFYSA-N 1 2 406.483 1.508 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000732207877 1075664450 /nfs/dbraw/zinc/66/44/50/1075664450.db2.gz PKYRBQADFRZOGL-GFCCVEGCSA-N 1 2 414.453 1.865 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000732207877 1075664452 /nfs/dbraw/zinc/66/44/52/1075664452.db2.gz PKYRBQADFRZOGL-GFCCVEGCSA-N 1 2 414.453 1.865 20 0 HDADLO CC[C@@H]1C[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C[C@H](C)O1 ZINC000732208150 1075665817 /nfs/dbraw/zinc/66/58/17/1075665817.db2.gz IXMGMOPFOHHCOX-WJMMFUIDSA-N 1 2 418.519 1.733 20 0 HDADLO CC[C@@H]1C[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C[C@H](C)O1 ZINC000732208150 1075665821 /nfs/dbraw/zinc/66/58/21/1075665821.db2.gz IXMGMOPFOHHCOX-WJMMFUIDSA-N 1 2 418.519 1.733 20 0 HDADLO COCCN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000732217241 1075672101 /nfs/dbraw/zinc/67/21/01/1075672101.db2.gz GAWVCEHOSXJPSY-UHFFFAOYSA-N 1 2 411.446 1.526 20 0 HDADLO CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(-n3[nH]c(=O)nc3C[NH3+])c12 ZINC001168760986 1075674498 /nfs/dbraw/zinc/67/44/98/1075674498.db2.gz JKUQYNOWTWFMSO-UHFFFAOYSA-N 1 2 408.212 1.734 20 0 HDADLO CCCCNc1cc(N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)nc(N)[nH+]1 ZINC000569518027 1075692334 /nfs/dbraw/zinc/69/23/34/1075692334.db2.gz DWDMDTJNNFRBOG-GFCCVEGCSA-N 1 2 404.496 1.758 20 0 HDADLO CCCCNc1cc(N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)[nH+]c(N)n1 ZINC000569518027 1075692336 /nfs/dbraw/zinc/69/23/36/1075692336.db2.gz DWDMDTJNNFRBOG-GFCCVEGCSA-N 1 2 404.496 1.758 20 0 HDADLO COc1cc(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc(OC)c1OC ZINC000785485036 1075701071 /nfs/dbraw/zinc/70/10/71/1075701071.db2.gz SXYJNKYQHDKADX-UHFFFAOYSA-N 1 2 417.462 1.665 20 0 HDADLO CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000494143702 1075711957 /nfs/dbraw/zinc/71/19/57/1075711957.db2.gz ABYFHXOXIKCZFE-SJLPKXTDSA-N 1 2 408.466 1.613 20 0 HDADLO C[C@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1)c1ccc(F)cc1 ZINC000554849293 1075712330 /nfs/dbraw/zinc/71/23/30/1075712330.db2.gz XNJLOYZRTKEWIU-HOCLYGCPSA-N 1 2 414.485 1.371 20 0 HDADLO C[C@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1)c1ccc(F)cc1 ZINC000554849293 1075712334 /nfs/dbraw/zinc/71/23/34/1075712334.db2.gz XNJLOYZRTKEWIU-HOCLYGCPSA-N 1 2 414.485 1.371 20 0 HDADLO COc1cccc([C@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000732343996 1075714776 /nfs/dbraw/zinc/71/47/76/1075714776.db2.gz GCHDYFSUSRGRFB-IBGZPJMESA-N 1 2 404.488 1.678 20 0 HDADLO C[C@H](C(=O)OCC(=O)NCC(=O)N1CCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397649 1075727553 /nfs/dbraw/zinc/72/75/53/1075727553.db2.gz VVIVGSLSKGRQKU-GOSISDBHSA-N 1 2 415.534 1.611 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000732453091 1075742266 /nfs/dbraw/zinc/74/22/66/1075742266.db2.gz SGVZVEFFCCHWKL-HNAYVOBHSA-N 1 2 416.588 1.749 20 0 HDADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2csc(Nc3ccccc3)n2)CC1 ZINC000597989038 1075744492 /nfs/dbraw/zinc/74/44/92/1075744492.db2.gz ILLTUWZJAGFEPU-QGZVFWFLSA-N 1 2 415.563 2.252 20 0 HDADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000732479742 1075758466 /nfs/dbraw/zinc/75/84/66/1075758466.db2.gz PXNOVSFFTSIUHG-UHFFFAOYSA-N 1 2 402.495 1.692 20 0 HDADLO C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc([S@@](C)=O)cc1 ZINC000534486265 1075769946 /nfs/dbraw/zinc/76/99/46/1075769946.db2.gz MRFQQRKLTAEBCQ-HBIPHATFSA-N 1 2 405.524 1.835 20 0 HDADLO C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ncc(Br)cn1 ZINC000432961989 1075769964 /nfs/dbraw/zinc/76/99/64/1075769964.db2.gz USLHFKOKHFHISX-LBPRGKRZSA-N 1 2 424.303 1.651 20 0 HDADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000509448017 1075772453 /nfs/dbraw/zinc/77/24/53/1075772453.db2.gz CVKURZKJCGVHRI-UHFFFAOYSA-N 1 2 411.307 1.469 20 0 HDADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000509448017 1075772459 /nfs/dbraw/zinc/77/24/59/1075772459.db2.gz CVKURZKJCGVHRI-UHFFFAOYSA-N 1 2 411.307 1.469 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)COCCNC(=O)OC(C)(C)C)c2)CC1 ZINC000732553235 1075784385 /nfs/dbraw/zinc/78/43/85/1075784385.db2.gz MKHPTLYHBDXWNW-UHFFFAOYSA-N 1 2 406.527 1.914 20 0 HDADLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000544565995 1075797466 /nfs/dbraw/zinc/79/74/66/1075797466.db2.gz QXHNNHQUUPUJPK-KBPBESRZSA-N 1 2 408.480 1.373 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCC[N@H+](CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000766190659 1075810300 /nfs/dbraw/zinc/81/03/00/1075810300.db2.gz JIWKWANVHNHQBP-UHFFFAOYSA-N 1 2 413.540 1.916 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000766190659 1075810306 /nfs/dbraw/zinc/81/03/06/1075810306.db2.gz JIWKWANVHNHQBP-UHFFFAOYSA-N 1 2 413.540 1.916 20 0 HDADLO CC(C)COc1cccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438326509 1075826553 /nfs/dbraw/zinc/82/65/53/1075826553.db2.gz VCSSPPYVWNSXRN-UHFFFAOYSA-N 1 2 401.511 2.572 20 0 HDADLO O=c1n(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nnn1-c1ccccc1 ZINC000732672113 1075827447 /nfs/dbraw/zinc/82/74/47/1075827447.db2.gz DBGCGFZCJZPEKJ-LJQANCHMSA-N 1 2 414.897 1.391 20 0 HDADLO COC(=O)c1cccc([C@H](C(=O)OC)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000611089371 1075828264 /nfs/dbraw/zinc/82/82/64/1075828264.db2.gz AIKGRMQKBWVSDL-QFBILLFUSA-N 1 2 417.506 1.316 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@H](O)C(C)(C)C)CC2)cc1OC ZINC000732718968 1075832565 /nfs/dbraw/zinc/83/25/65/1075832565.db2.gz VAAXIOCYGJULHV-FQEVSTJZSA-N 1 2 422.522 1.607 20 0 HDADLO Cc1c(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)nnn1-c1ccc(C)cc1 ZINC000518730188 1075840649 /nfs/dbraw/zinc/84/06/49/1075840649.db2.gz WCHDXQDDLZWGIG-UHFFFAOYSA-N 1 2 409.494 1.594 20 0 HDADLO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000611098334 1075843030 /nfs/dbraw/zinc/84/30/30/1075843030.db2.gz YWZYUIRRCNJMHC-HNNXBMFYSA-N 1 2 401.467 1.810 20 0 HDADLO NC(=O)c1cccc(CCNc2cc(NCCc3cccc(C(N)=O)c3)[nH+]cn2)c1 ZINC000475427632 1075846215 /nfs/dbraw/zinc/84/62/15/1075846215.db2.gz HLALDUHHOLORNJ-UHFFFAOYSA-N 1 2 404.474 1.984 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)NCC[NH+]3CCSCC3)cc2[nH]c1=S ZINC000732777413 1075854536 /nfs/dbraw/zinc/85/45/36/1075854536.db2.gz LHOSYXYBVNPCSP-UHFFFAOYSA-N 1 2 422.576 1.500 20 0 HDADLO Cc1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)nn1-c1c(F)cccc1F ZINC000468910880 1075859174 /nfs/dbraw/zinc/85/91/74/1075859174.db2.gz JLDYIMWGINHOEW-UHFFFAOYSA-N 1 2 416.432 2.240 20 0 HDADLO Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2=O)c1 ZINC000596171834 1075866062 /nfs/dbraw/zinc/86/60/62/1075866062.db2.gz LAZYBNNJGMQZPA-LJQANCHMSA-N 1 2 411.506 1.824 20 0 HDADLO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596042106 1075868422 /nfs/dbraw/zinc/86/84/22/1075868422.db2.gz VHFWUROCCKXLTR-LJQANCHMSA-N 1 2 417.485 1.748 20 0 HDADLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812319 1075873072 /nfs/dbraw/zinc/87/30/72/1075873072.db2.gz ADWKTIRFPQGYCP-TZMCWYRMSA-N 1 2 400.401 1.496 20 0 HDADLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812319 1075873076 /nfs/dbraw/zinc/87/30/76/1075873076.db2.gz ADWKTIRFPQGYCP-TZMCWYRMSA-N 1 2 400.401 1.496 20 0 HDADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(NC(=O)COC)CC1 ZINC000611261294 1075888114 /nfs/dbraw/zinc/88/81/14/1075888114.db2.gz JDTOEFRPODJLFL-UHFFFAOYSA-N 1 2 400.479 1.776 20 0 HDADLO CCc1cc(CNC(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)[nH]n1 ZINC000732880261 1075890468 /nfs/dbraw/zinc/89/04/68/1075890468.db2.gz VYFFSNQEIJPAFP-UHFFFAOYSA-N 1 2 400.483 1.690 20 0 HDADLO CCc1cc(CNC(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)n[nH]1 ZINC000732880261 1075890473 /nfs/dbraw/zinc/89/04/73/1075890473.db2.gz VYFFSNQEIJPAFP-UHFFFAOYSA-N 1 2 400.483 1.690 20 0 HDADLO Cc1nc(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cs1 ZINC000732915479 1075911526 /nfs/dbraw/zinc/91/15/26/1075911526.db2.gz JLBCWVDTCWWLOF-HNNXBMFYSA-N 1 2 402.524 1.406 20 0 HDADLO Cc1nc(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cs1 ZINC000732915479 1075911528 /nfs/dbraw/zinc/91/15/28/1075911528.db2.gz JLBCWVDTCWWLOF-HNNXBMFYSA-N 1 2 402.524 1.406 20 0 HDADLO O=C(CSC(F)(F)F)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915445 1075911568 /nfs/dbraw/zinc/91/15/68/1075911568.db2.gz IITABGOWENEEOJ-LBPRGKRZSA-N 1 2 405.446 1.651 20 0 HDADLO O=C(CSC(F)(F)F)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915445 1075911569 /nfs/dbraw/zinc/91/15/69/1075911569.db2.gz IITABGOWENEEOJ-LBPRGKRZSA-N 1 2 405.446 1.651 20 0 HDADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1C ZINC000611361576 1075918844 /nfs/dbraw/zinc/91/88/44/1075918844.db2.gz BDSOBYRMDWHMJG-INIZCTEOSA-N 1 2 412.490 1.873 20 0 HDADLO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1C ZINC000611361576 1075918849 /nfs/dbraw/zinc/91/88/49/1075918849.db2.gz BDSOBYRMDWHMJG-INIZCTEOSA-N 1 2 412.490 1.873 20 0 HDADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000732954970 1075931162 /nfs/dbraw/zinc/93/11/62/1075931162.db2.gz IFHCQWUVSQQTEX-CAPFRKAQSA-N 1 2 424.501 1.721 20 0 HDADLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000732954970 1075931165 /nfs/dbraw/zinc/93/11/65/1075931165.db2.gz IFHCQWUVSQQTEX-CAPFRKAQSA-N 1 2 424.501 1.721 20 0 HDADLO COC(=O)Cn1cc(CC[N@@H+]2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)nn1 ZINC000611531646 1075953909 /nfs/dbraw/zinc/95/39/09/1075953909.db2.gz PNLKHYYXNGEHJX-HXUWFJFHSA-N 1 2 424.505 1.870 20 0 HDADLO COC(=O)Cn1cc(CC[N@H+]2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)nn1 ZINC000611531646 1075953915 /nfs/dbraw/zinc/95/39/15/1075953915.db2.gz PNLKHYYXNGEHJX-HXUWFJFHSA-N 1 2 424.505 1.870 20 0 HDADLO COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611540715 1075956898 /nfs/dbraw/zinc/95/68/98/1075956898.db2.gz PDBWJSHMDIZKQJ-SJORKVTESA-N 1 2 419.503 1.241 20 0 HDADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611540763 1075956935 /nfs/dbraw/zinc/95/69/35/1075956935.db2.gz WQQDTXJIRGEVNH-CABCVRRESA-N 1 2 402.900 1.346 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000733045550 1075964749 /nfs/dbraw/zinc/96/47/49/1075964749.db2.gz NJLVNXGRVLCUDJ-AWEZNQCLSA-N 1 2 405.471 1.494 20 0 HDADLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](N(Cc3ccccc3)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)o1 ZINC001079139332 1075964768 /nfs/dbraw/zinc/96/47/68/1075964768.db2.gz NYPVXDWYUDZZMN-VYKPCIFISA-N 1 2 423.513 1.980 20 0 HDADLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](N(Cc3ccccc3)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)o1 ZINC001079139332 1075964770 /nfs/dbraw/zinc/96/47/70/1075964770.db2.gz NYPVXDWYUDZZMN-VYKPCIFISA-N 1 2 423.513 1.980 20 0 HDADLO Cc1noc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]4COC[C@@H]43)CC2)n1 ZINC001079263235 1075968415 /nfs/dbraw/zinc/96/84/15/1075968415.db2.gz PAEDEUMTTSEYFA-SFFUCWETSA-N 1 2 402.495 1.385 20 0 HDADLO Cc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001080180489 1075985205 /nfs/dbraw/zinc/98/52/05/1075985205.db2.gz MHZODKJKSMIWNG-BFDCFGGLSA-N 1 2 401.507 1.422 20 0 HDADLO Cc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001080180489 1075985208 /nfs/dbraw/zinc/98/52/08/1075985208.db2.gz MHZODKJKSMIWNG-BFDCFGGLSA-N 1 2 401.507 1.422 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1 ZINC001080180819 1075985488 /nfs/dbraw/zinc/98/54/88/1075985488.db2.gz YVLYPEPQXVJAPE-HERIUZKZSA-N 1 2 401.507 1.422 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1 ZINC001080180819 1075985491 /nfs/dbraw/zinc/98/54/91/1075985491.db2.gz YVLYPEPQXVJAPE-HERIUZKZSA-N 1 2 401.507 1.422 20 0 HDADLO NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c1 ZINC000492892937 1075989013 /nfs/dbraw/zinc/98/90/13/1075989013.db2.gz NDSNMRCMQGNXSM-UHFFFAOYSA-N 1 2 421.544 1.898 20 0 HDADLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1)N1CCCC1 ZINC000733160277 1075993896 /nfs/dbraw/zinc/99/38/96/1075993896.db2.gz OXMRBNBRVVBZHK-IBGZPJMESA-N 1 2 420.460 1.615 20 0 HDADLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1)N1CCCC1 ZINC000733160277 1075993899 /nfs/dbraw/zinc/99/38/99/1075993899.db2.gz OXMRBNBRVVBZHK-IBGZPJMESA-N 1 2 420.460 1.615 20 0 HDADLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000733195248 1076002330 /nfs/dbraw/zinc/00/23/30/1076002330.db2.gz HVZBGBXLHHSSQV-XZSJUEPFSA-N 1 2 418.494 1.192 20 0 HDADLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000733195248 1076002335 /nfs/dbraw/zinc/00/23/35/1076002335.db2.gz HVZBGBXLHHSSQV-XZSJUEPFSA-N 1 2 418.494 1.192 20 0 HDADLO CC(C)NC(=O)CN1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000053401116 1076056241 /nfs/dbraw/zinc/05/62/41/1076056241.db2.gz DVXCJNQWKKDHLG-AWEZNQCLSA-N 1 2 404.338 1.875 20 0 HDADLO COc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc(OC)c1OCC(N)=O ZINC000727495091 1076137502 /nfs/dbraw/zinc/13/75/02/1076137502.db2.gz DQVAVSNRSIVYDZ-INIZCTEOSA-N 1 2 404.467 1.609 20 0 HDADLO COC(=O)Nc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)ccc1F ZINC000727610407 1076180517 /nfs/dbraw/zinc/18/05/17/1076180517.db2.gz HRQMJPDIIWSWMJ-MRXNPFEDSA-N 1 2 410.446 1.416 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C\c1ccc(I)o1 ZINC000751428749 1076186921 /nfs/dbraw/zinc/18/69/21/1076186921.db2.gz AZGDHUMNTSPFKX-KTLBGCOUSA-N 1 2 420.247 1.049 20 0 HDADLO S=C(NCCc1cccnc1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000727699697 1076209848 /nfs/dbraw/zinc/20/98/48/1076209848.db2.gz ZQPNFBGMPVJROZ-UHFFFAOYSA-N 1 2 400.548 1.999 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2[nH]c1=S ZINC000727742151 1076216802 /nfs/dbraw/zinc/21/68/02/1076216802.db2.gz ZTDQMONGYALOLE-ZDUSSCGKSA-N 1 2 404.536 1.934 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)cc2[nH]c1=S ZINC000727742151 1076216805 /nfs/dbraw/zinc/21/68/05/1076216805.db2.gz ZTDQMONGYALOLE-ZDUSSCGKSA-N 1 2 404.536 1.934 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC(Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000727763234 1076218057 /nfs/dbraw/zinc/21/80/57/1076218057.db2.gz QKVZMDIJIGRXGS-NRFANRHFSA-N 1 2 410.430 1.147 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000733848127 1076218311 /nfs/dbraw/zinc/21/83/11/1076218311.db2.gz UEMCJTSYRJSGJM-CJNGLKHVSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000733848127 1076218317 /nfs/dbraw/zinc/21/83/17/1076218317.db2.gz UEMCJTSYRJSGJM-CJNGLKHVSA-N 1 2 414.428 1.831 20 0 HDADLO COc1ccc2c(C)c(CCC(=O)NC[C@@H](C)[NH+]3CCN(C)CC3)c(=O)oc2c1 ZINC000733882494 1076238481 /nfs/dbraw/zinc/23/84/81/1076238481.db2.gz PMSUBLOFEWFAGX-OAHLLOKOSA-N 1 2 401.507 1.795 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000534541498 1076248268 /nfs/dbraw/zinc/24/82/68/1076248268.db2.gz RWCYBKAGLWGYLN-GOSISDBHSA-N 1 2 410.474 1.638 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534541498 1076248273 /nfs/dbraw/zinc/24/82/73/1076248273.db2.gz RWCYBKAGLWGYLN-GOSISDBHSA-N 1 2 410.474 1.638 20 0 HDADLO CN(c1ccccc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)S(C)(=O)=O ZINC000535278874 1076251782 /nfs/dbraw/zinc/25/17/82/1076251782.db2.gz YOSBUOOPQFSQKT-KRWDZBQOSA-N 1 2 416.503 1.324 20 0 HDADLO CN(c1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)S(C)(=O)=O ZINC000535278874 1076251783 /nfs/dbraw/zinc/25/17/83/1076251783.db2.gz YOSBUOOPQFSQKT-KRWDZBQOSA-N 1 2 416.503 1.324 20 0 HDADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1C ZINC000535315525 1076252502 /nfs/dbraw/zinc/25/25/02/1076252502.db2.gz WCRKFJGWWYMOHD-QGZVFWFLSA-N 1 2 416.503 1.145 20 0 HDADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1C ZINC000535315525 1076252505 /nfs/dbraw/zinc/25/25/05/1076252505.db2.gz WCRKFJGWWYMOHD-QGZVFWFLSA-N 1 2 416.503 1.145 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000535315245 1076252619 /nfs/dbraw/zinc/25/26/19/1076252619.db2.gz RSBQHPSUPQROHZ-FQEVSTJZSA-N 1 2 417.469 1.533 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000535315245 1076252622 /nfs/dbraw/zinc/25/26/22/1076252622.db2.gz RSBQHPSUPQROHZ-FQEVSTJZSA-N 1 2 417.469 1.533 20 0 HDADLO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000733893692 1076254426 /nfs/dbraw/zinc/25/44/26/1076254426.db2.gz HVULUURNOZGHBW-KRWDZBQOSA-N 1 2 411.499 1.174 20 0 HDADLO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000733893692 1076254432 /nfs/dbraw/zinc/25/44/32/1076254432.db2.gz HVULUURNOZGHBW-KRWDZBQOSA-N 1 2 411.499 1.174 20 0 HDADLO NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000536104124 1076255489 /nfs/dbraw/zinc/25/54/89/1076255489.db2.gz VRWFMTOUTOPILT-ZDUSSCGKSA-N 1 2 401.916 1.314 20 0 HDADLO CCOC(=O)C1C(C[NH2+]C2(C(=O)NC)CCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000733896504 1076256491 /nfs/dbraw/zinc/25/64/91/1076256491.db2.gz GFLADWNZSFPLBR-KRWDZBQOSA-N 1 2 400.479 1.506 20 0 HDADLO CC(C)CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065719148 1076257228 /nfs/dbraw/zinc/25/72/28/1076257228.db2.gz VPQXTMRGBPLMSG-YENHRIDLSA-N 1 2 403.567 1.981 20 0 HDADLO CCCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065712061 1076257557 /nfs/dbraw/zinc/25/75/57/1076257557.db2.gz UICYBRLDLAUFBJ-NADOGSGZSA-N 1 2 403.567 1.981 20 0 HDADLO CCC(CC)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709537 1076257645 /nfs/dbraw/zinc/25/76/45/1076257645.db2.gz WOXUFACZUUDWQU-NHHWGVFUSA-N 1 2 403.567 1.981 20 0 HDADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1F ZINC000727835940 1076265809 /nfs/dbraw/zinc/26/58/09/1076265809.db2.gz CRKIFWZSGOCQHJ-CQSZACIVSA-N 1 2 404.529 1.868 20 0 HDADLO O=C1[C@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCN1C1CCOCC1 ZINC000467271389 1076266442 /nfs/dbraw/zinc/26/64/42/1076266442.db2.gz NKEGIJFDMKXKSO-CYBMUJFWSA-N 1 2 419.473 1.849 20 0 HDADLO O=C1[C@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCN1C1CCOCC1 ZINC000467271389 1076266448 /nfs/dbraw/zinc/26/64/48/1076266448.db2.gz NKEGIJFDMKXKSO-CYBMUJFWSA-N 1 2 419.473 1.849 20 0 HDADLO CN(CC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(=O)OC(C)(C)C ZINC000727892974 1076277430 /nfs/dbraw/zinc/27/74/30/1076277430.db2.gz AMOFKFMWTJIWAX-UHFFFAOYSA-N 1 2 411.524 1.802 20 0 HDADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000727940602 1076291521 /nfs/dbraw/zinc/29/15/21/1076291521.db2.gz LOFVZPQJUQUERQ-HNNXBMFYSA-N 1 2 420.514 1.378 20 0 HDADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000727946766 1076292912 /nfs/dbraw/zinc/29/29/12/1076292912.db2.gz NNLBIDJALAVJLU-MRXNPFEDSA-N 1 2 414.445 1.476 20 0 HDADLO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000727951731 1076295937 /nfs/dbraw/zinc/29/59/37/1076295937.db2.gz KHVLYLXKOLXSHM-UHFFFAOYSA-N 1 2 403.451 1.564 20 0 HDADLO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000727951731 1076295942 /nfs/dbraw/zinc/29/59/42/1076295942.db2.gz KHVLYLXKOLXSHM-UHFFFAOYSA-N 1 2 403.451 1.564 20 0 HDADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000728022214 1076307056 /nfs/dbraw/zinc/30/70/56/1076307056.db2.gz NCQNTTAGPGFXNI-NNNWFYCTSA-N 1 2 413.609 1.568 20 0 HDADLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000728056574 1076322916 /nfs/dbraw/zinc/32/29/16/1076322916.db2.gz WORQULVPIGEDHQ-QGZVFWFLSA-N 1 2 422.551 1.987 20 0 HDADLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000728056574 1076322920 /nfs/dbraw/zinc/32/29/20/1076322920.db2.gz WORQULVPIGEDHQ-QGZVFWFLSA-N 1 2 422.551 1.987 20 0 HDADLO CCOC(=O)N1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000728115812 1076337429 /nfs/dbraw/zinc/33/74/29/1076337429.db2.gz TUPGDKOXYZRVFA-UHFFFAOYSA-N 1 2 418.538 1.550 20 0 HDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(-n2cnnn2)ccc1F ZINC000728118962 1076337991 /nfs/dbraw/zinc/33/79/91/1076337991.db2.gz VJRRSMTXBAXKNR-QGZVFWFLSA-N 1 2 411.441 1.824 20 0 HDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(-n2cnnn2)ccc1F ZINC000728118962 1076337997 /nfs/dbraw/zinc/33/79/97/1076337997.db2.gz VJRRSMTXBAXKNR-QGZVFWFLSA-N 1 2 411.441 1.824 20 0 HDADLO C[C@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000728159785 1076350097 /nfs/dbraw/zinc/35/00/97/1076350097.db2.gz UERJUIBSAIUWGH-JOCHJYFZSA-N 1 2 423.473 1.320 20 0 HDADLO Nc1c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(=O)[nH]c(=O)n1C1CC1 ZINC000027357561 1076359322 /nfs/dbraw/zinc/35/93/22/1076359322.db2.gz QHLZDOLZEQDIDO-CQSZACIVSA-N 1 2 412.446 1.245 20 0 HDADLO Nc1c(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(=O)[nH]c(=O)n1C1CC1 ZINC000027357561 1076359327 /nfs/dbraw/zinc/35/93/27/1076359327.db2.gz QHLZDOLZEQDIDO-CQSZACIVSA-N 1 2 412.446 1.245 20 0 HDADLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000027382867 1076360101 /nfs/dbraw/zinc/36/01/01/1076360101.db2.gz ZUAXGLQXFNMPSQ-MRXNPFEDSA-N 1 2 402.520 1.792 20 0 HDADLO C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=S)NCCC[NH+]1CCOCC1 ZINC000728177751 1076365831 /nfs/dbraw/zinc/36/58/31/1076365831.db2.gz JUSNBPAGQROBJS-HXUWFJFHSA-N 1 2 420.623 1.806 20 0 HDADLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3nnnn3C[C@H]3CCCO3)CC2)c1 ZINC000030346931 1076366068 /nfs/dbraw/zinc/36/60/68/1076366068.db2.gz FSHSOCYKBHRLCT-GOSISDBHSA-N 1 2 416.551 1.597 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[NH+]([C@@H]2CCN(c3cncc(Cl)n3)C2)CC1 ZINC001065206257 1076367187 /nfs/dbraw/zinc/36/71/87/1076367187.db2.gz JXQXDORBLJAYBL-TVRAHDOYSA-N 1 2 403.914 1.276 20 0 HDADLO Cn1cc(C[NH+]2CCN(Cn3nnn(-c4ccc(Cl)cc4)c3=S)CC2)cn1 ZINC000729989522 1076408935 /nfs/dbraw/zinc/40/89/35/1076408935.db2.gz XIWLSETUNTXIFA-UHFFFAOYSA-N 1 2 404.931 1.960 20 0 HDADLO COc1c(C)c[nH+]c(CNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)c1C ZINC000730066198 1076434392 /nfs/dbraw/zinc/43/43/92/1076434392.db2.gz FUFGZVIGQMYXBX-UHFFFAOYSA-N 1 2 407.492 1.989 20 0 HDADLO COc1ccc(NC(=O)[C@H]2CCCN2C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000730132157 1076460216 /nfs/dbraw/zinc/46/02/16/1076460216.db2.gz VKHXUIVUHHAPTP-QFBILLFUSA-N 1 2 403.527 1.444 20 0 HDADLO O=C(Nc1cnn(-c2ccccc2Cl)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000730223576 1076493138 /nfs/dbraw/zinc/49/31/38/1076493138.db2.gz BFXCCXVTRXPKQO-OAHLLOKOSA-N 1 2 417.897 1.645 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(CN3CC[NH+](Cc4ccncc4)CC3)C2=O)cc1 ZINC000730251270 1076498531 /nfs/dbraw/zinc/49/85/31/1076498531.db2.gz FWRQZFYZLZLCHV-HSZRJFAPSA-N 1 2 423.517 1.719 20 0 HDADLO CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000730311058 1076525447 /nfs/dbraw/zinc/52/54/47/1076525447.db2.gz PDHYEVFVEAFJHM-OAHLLOKOSA-N 1 2 411.549 1.247 20 0 HDADLO Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001006214256 1076546832 /nfs/dbraw/zinc/54/68/32/1076546832.db2.gz HQVMSWDGHKTQMU-FYNNLBNCSA-N 1 2 403.527 1.422 20 0 HDADLO Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001006214256 1076546839 /nfs/dbraw/zinc/54/68/39/1076546839.db2.gz HQVMSWDGHKTQMU-FYNNLBNCSA-N 1 2 403.527 1.422 20 0 HDADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730378112 1076552418 /nfs/dbraw/zinc/55/24/18/1076552418.db2.gz IRIOMOCLHIVVQE-ZWKOTPCHSA-N 1 2 417.506 1.712 20 0 HDADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730378112 1076552427 /nfs/dbraw/zinc/55/24/27/1076552427.db2.gz IRIOMOCLHIVVQE-ZWKOTPCHSA-N 1 2 417.506 1.712 20 0 HDADLO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1)O[C@H](C)C2 ZINC000730546826 1076598051 /nfs/dbraw/zinc/59/80/51/1076598051.db2.gz WHJORBXHNKUKRR-HFTRVMKXSA-N 1 2 401.507 1.532 20 0 HDADLO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1)O[C@H](C)C2 ZINC000730546826 1076598059 /nfs/dbraw/zinc/59/80/59/1076598059.db2.gz WHJORBXHNKUKRR-HFTRVMKXSA-N 1 2 401.507 1.532 20 0 HDADLO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1)O[C@@H](C)C2 ZINC000730546829 1076598487 /nfs/dbraw/zinc/59/84/87/1076598487.db2.gz WHJORBXHNKUKRR-ZVZYQTTQSA-N 1 2 401.507 1.532 20 0 HDADLO CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1)O[C@@H](C)C2 ZINC000730546829 1076598492 /nfs/dbraw/zinc/59/84/92/1076598492.db2.gz WHJORBXHNKUKRR-ZVZYQTTQSA-N 1 2 401.507 1.532 20 0 HDADLO CC(C)OC1CC[NH+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 ZINC000730571113 1076605744 /nfs/dbraw/zinc/60/57/44/1076605744.db2.gz SHDHDBVQORKGIZ-QFIPXVFZSA-N 1 2 416.522 1.850 20 0 HDADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000730833526 1076674211 /nfs/dbraw/zinc/67/42/11/1076674211.db2.gz MSQNTEOTCZRUDA-MUPIXQSSSA-N 1 2 420.469 1.475 20 0 HDADLO CCn1c(N)c(C(=O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c(=O)[nH]c1=O ZINC000731037801 1076715715 /nfs/dbraw/zinc/71/57/15/1076715715.db2.gz KWOJQZLADLSDOE-QGZVFWFLSA-N 1 2 404.442 1.318 20 0 HDADLO C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)C1 ZINC000731215026 1076748958 /nfs/dbraw/zinc/74/89/58/1076748958.db2.gz ZZHQSAXDWQLLHP-PKOBYXMFSA-N 1 2 402.539 1.363 20 0 HDADLO O=C(NCC[NH+]1CCN(Cn2cc(Br)cn2)CC1)c1ccccc1F ZINC000731206897 1076755100 /nfs/dbraw/zinc/75/51/00/1076755100.db2.gz HSLBJVTYENSXKF-UHFFFAOYSA-N 1 2 410.291 1.790 20 0 HDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cc(Cl)ccn2)CC3)CC1 ZINC000328606072 569418285 /nfs/dbraw/zinc/41/82/85/569418285.db2.gz QHBCRZSSUOJMBL-CQSZACIVSA-N 1 2 416.913 1.312 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(Cl)cc3C(=O)OC)CC2)C1=O ZINC001164632990 719268605 /nfs/dbraw/zinc/26/86/05/719268605.db2.gz DYZYZBBSDUGLPO-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(Cl)cc3C(=O)OC)CC2)C1=O ZINC001164632990 719268610 /nfs/dbraw/zinc/26/86/10/719268610.db2.gz DYZYZBBSDUGLPO-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164635378 719270349 /nfs/dbraw/zinc/27/03/49/719270349.db2.gz PJDBWFOUKWJDOT-UHFFFAOYSA-N 1 2 408.474 1.157 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164635378 719270350 /nfs/dbraw/zinc/27/03/50/719270350.db2.gz PJDBWFOUKWJDOT-UHFFFAOYSA-N 1 2 408.474 1.157 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(C(=O)OC)c[nH]c4n3)CC2)C1=O ZINC001164636907 719271492 /nfs/dbraw/zinc/27/14/92/719271492.db2.gz YRTAVRIZFKZLAO-UHFFFAOYSA-N 1 2 415.494 1.109 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(C(=O)OC)c[nH]c4n3)CC2)C1=O ZINC001164636907 719271497 /nfs/dbraw/zinc/27/14/97/719271497.db2.gz YRTAVRIZFKZLAO-UHFFFAOYSA-N 1 2 415.494 1.109 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)C1=O ZINC001164644962 719280195 /nfs/dbraw/zinc/28/01/95/719280195.db2.gz YAZCABAHZJATDJ-UHFFFAOYSA-N 1 2 416.570 1.472 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)C1=O ZINC001164644962 719280199 /nfs/dbraw/zinc/28/01/99/719280199.db2.gz YAZCABAHZJATDJ-UHFFFAOYSA-N 1 2 416.570 1.472 20 0 HDADLO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)c12 ZINC001164686325 719707652 /nfs/dbraw/zinc/70/76/52/719707652.db2.gz ZHMQDDWNFDSVDU-UHFFFAOYSA-N 1 2 400.483 1.315 20 0 HDADLO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)c12 ZINC001164686325 719707690 /nfs/dbraw/zinc/70/76/90/719707690.db2.gz ZHMQDDWNFDSVDU-UHFFFAOYSA-N 1 2 400.483 1.315 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705833 719844424 /nfs/dbraw/zinc/84/44/24/719844424.db2.gz WBMMAUYBWQBYCO-MGPUTAFESA-N 1 2 409.458 1.630 20 0 HDADLO COC(=O)c1cc(OC)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703928 719848521 /nfs/dbraw/zinc/84/85/21/719848521.db2.gz RFYCNCHYVSTOQB-VBKZILBWSA-N 1 2 407.467 1.110 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2[nH]c(C)nc21 ZINC001164706748 719848656 /nfs/dbraw/zinc/84/86/56/719848656.db2.gz YJSHULWCSVCAOK-KZULUSFZSA-N 1 2 408.890 1.547 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC(C)(C)C)cn1 ZINC001164706408 719854939 /nfs/dbraw/zinc/85/49/39/719854939.db2.gz XEMOHHCBNAVAOS-VGSWGCGISA-N 1 2 418.538 1.843 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2c1CNC2=O ZINC001164706917 719860102 /nfs/dbraw/zinc/86/01/02/719860102.db2.gz ZOKWITKIATWNAV-CWTRNNRKSA-N 1 2 408.886 1.211 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ncnc(Cl)c2n1 ZINC001164705559 719861961 /nfs/dbraw/zinc/86/19/61/719861961.db2.gz UFMSBUSHZUOXNM-SGTLLEGYSA-N 1 2 406.874 1.306 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)N2CCCC2)ccn1 ZINC001164698820 719861974 /nfs/dbraw/zinc/86/19/74/719861974.db2.gz DTTFXWGKOOTGBZ-XMSQKQJNSA-N 1 2 416.522 1.550 20 0 HDADLO COC(=O)CSc1cccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164700579 719864343 /nfs/dbraw/zinc/86/43/43/719864343.db2.gz DYODVMWMLSHIQK-MGPUTAFESA-N 1 2 423.535 1.579 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2C1CC1 ZINC001164701225 719869788 /nfs/dbraw/zinc/86/97/88/719869788.db2.gz GBUFDIMWYCJTIW-QRWLVFNGSA-N 1 2 400.483 1.394 20 0 HDADLO CCOC(=O)c1cnc(CC)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701714 719875573 /nfs/dbraw/zinc/87/55/73/719875573.db2.gz GXJYOJWNARENRA-YCRPNKLZSA-N 1 2 420.510 1.448 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(ccn2C)c(OC)n1 ZINC001164707242 719877704 /nfs/dbraw/zinc/87/77/04/719877704.db2.gz RTMRTJYQDQUIKT-VBKZILBWSA-N 1 2 403.483 1.210 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(-c2nccs2)n1 ZINC001164699721 719879832 /nfs/dbraw/zinc/87/98/32/719879832.db2.gz HNSUIAHVSCPXIP-AUUYWEPGSA-N 1 2 403.508 1.833 20 0 HDADLO CC(C)COc1nccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708754 719930844 /nfs/dbraw/zinc/93/08/44/719930844.db2.gz ORKCIFLRGWZZCR-UHFFFAOYSA-N 1 2 413.526 1.195 20 0 HDADLO CC(C)Sc1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164708623 719931028 /nfs/dbraw/zinc/93/10/28/719931028.db2.gz NJMPNPCYLIIMIH-UHFFFAOYSA-N 1 2 415.567 1.661 20 0 HDADLO CCSc1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708542 719933295 /nfs/dbraw/zinc/93/32/95/719933295.db2.gz KRQRLYKALSGAQY-UHFFFAOYSA-N 1 2 400.552 1.877 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164720103 720232449 /nfs/dbraw/zinc/23/24/49/720232449.db2.gz WACDVIKWXYODIL-QZTJIDSGSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164720103 720232458 /nfs/dbraw/zinc/23/24/58/720232458.db2.gz WACDVIKWXYODIL-QZTJIDSGSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164720691 720237976 /nfs/dbraw/zinc/23/79/76/720237976.db2.gz ZQRZMGCFIFKKEX-HXUWFJFHSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164720691 720237979 /nfs/dbraw/zinc/23/79/79/720237979.db2.gz ZQRZMGCFIFKKEX-HXUWFJFHSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4c3C(=O)OC4(C)C)C2)C1 ZINC001164717582 720239133 /nfs/dbraw/zinc/23/91/33/720239133.db2.gz BPMFXLPEBMIOEN-NRFANRHFSA-N 1 2 402.495 1.152 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4c3C(=O)OC4(C)C)C2)C1 ZINC001164717582 720239139 /nfs/dbraw/zinc/23/91/39/720239139.db2.gz BPMFXLPEBMIOEN-NRFANRHFSA-N 1 2 402.495 1.152 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C(=O)OC(C)(C)C)n3)C2)C1 ZINC001164720304 720261103 /nfs/dbraw/zinc/26/11/03/720261103.db2.gz UKFDEXCOFZNGIF-NRFANRHFSA-N 1 2 419.526 1.097 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C(=O)OC(C)(C)C)n3)C2)C1 ZINC001164720304 720261111 /nfs/dbraw/zinc/26/11/11/720261111.db2.gz UKFDEXCOFZNGIF-NRFANRHFSA-N 1 2 419.526 1.097 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cncc(Cl)n3)C2)C1 ZINC001164721447 720271504 /nfs/dbraw/zinc/27/15/04/720271504.db2.gz JNXZQKZYVYCSEF-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cncc(Cl)n3)C2)C1 ZINC001164721447 720271511 /nfs/dbraw/zinc/27/15/11/720271511.db2.gz JNXZQKZYVYCSEF-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4ncn(C(C)C)c4n3)C2)C1 ZINC001164723289 720286779 /nfs/dbraw/zinc/28/67/79/720286779.db2.gz VZXYPYMSRKTLIN-HXUWFJFHSA-N 1 2 401.515 1.072 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4ncn(C(C)C)c4n3)C2)C1 ZINC001164723289 720286797 /nfs/dbraw/zinc/28/67/97/720286797.db2.gz VZXYPYMSRKTLIN-HXUWFJFHSA-N 1 2 401.515 1.072 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccnc5ccnn54)CC3)C2=O)cs1 ZINC001164829945 720357376 /nfs/dbraw/zinc/35/73/76/720357376.db2.gz UNQWZBQLGZKFET-UHFFFAOYSA-N 1 2 411.535 1.807 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccnc5ccnn54)CC3)C2=O)cs1 ZINC001164829945 720357385 /nfs/dbraw/zinc/35/73/85/720357385.db2.gz UNQWZBQLGZKFET-UHFFFAOYSA-N 1 2 411.535 1.807 20 0 HDADLO Cc1nc(Cl)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826191 720427945 /nfs/dbraw/zinc/42/79/45/720427945.db2.gz ORVVXYNIGYKXFM-HNNXBMFYSA-N 1 2 406.918 1.625 20 0 HDADLO COc1cc(Cl)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824094 720436519 /nfs/dbraw/zinc/43/65/19/720436519.db2.gz LTDCDQXXTWEBGR-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO CSc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164825844 720436621 /nfs/dbraw/zinc/43/66/21/720436621.db2.gz VAOHQVJDYXKEDM-OAHLLOKOSA-N 1 2 404.540 1.385 20 0 HDADLO COCc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164825778 720443635 /nfs/dbraw/zinc/44/36/35/720443635.db2.gz UWPHOADNNSNROO-SFHVURJKSA-N 1 2 401.511 1.414 20 0 HDADLO Cc1nc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164825330 720452552 /nfs/dbraw/zinc/45/25/52/720452552.db2.gz REUSCNKSQVJUJJ-MRXNPFEDSA-N 1 2 420.945 1.933 20 0 HDADLO COc1ccc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825702 720453537 /nfs/dbraw/zinc/45/35/37/720453537.db2.gz UKITWQVAHJWRPT-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO CSc1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831146 720457350 /nfs/dbraw/zinc/45/73/50/720457350.db2.gz MWVPNTCPCOFWHD-INIZCTEOSA-N 1 2 403.552 1.990 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc(Cl)cc1N)C2 ZINC001164829898 720468099 /nfs/dbraw/zinc/46/80/99/720468099.db2.gz HOOXCVLZXDEWFZ-CQSZACIVSA-N 1 2 406.918 1.503 20 0 HDADLO CSc1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831748 720469219 /nfs/dbraw/zinc/46/92/19/720469219.db2.gz PGXCEWSKKTWUCR-MRXNPFEDSA-N 1 2 403.552 1.990 20 0 HDADLO CC(C)Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164829298 720473345 /nfs/dbraw/zinc/47/33/45/720473345.db2.gz FIRBOEODLSHURN-GOSISDBHSA-N 1 2 414.554 1.861 20 0 HDADLO Cc1noc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164834150 720476656 /nfs/dbraw/zinc/47/66/56/720476656.db2.gz SEWQUPRRYRSTLE-OAHLLOKOSA-N 1 2 413.482 1.112 20 0 HDADLO CCc1cc(CC)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164834795 720482450 /nfs/dbraw/zinc/48/24/50/720482450.db2.gz VBDYCUXAOCQXPQ-KRWDZBQOSA-N 1 2 414.554 1.788 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1c(Cl)nc(Cl)nc1C(N)=O)C2 ZINC001165011715 721705739 /nfs/dbraw/zinc/70/57/39/721705739.db2.gz WZKLSGUYVKFSDJ-UHFFFAOYSA-N 1 2 413.313 1.724 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1c(Cl)nc(Cl)nc1C(N)=O)C2 ZINC001165011715 721705743 /nfs/dbraw/zinc/70/57/43/721705743.db2.gz WZKLSGUYVKFSDJ-UHFFFAOYSA-N 1 2 413.313 1.724 20 0 HDADLO COC(=O)CSc1cncc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165008992 721716317 /nfs/dbraw/zinc/71/63/17/721716317.db2.gz MOABKTFOIBCYHS-UHFFFAOYSA-N 1 2 405.528 1.584 20 0 HDADLO COC(=O)CSc1cncc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165008992 721716325 /nfs/dbraw/zinc/71/63/25/721716325.db2.gz MOABKTFOIBCYHS-UHFFFAOYSA-N 1 2 405.528 1.584 20 0 HDADLO CCNC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165011786 721722213 /nfs/dbraw/zinc/72/22/13/721722213.db2.gz UPIWIGBIHSHGCL-UHFFFAOYSA-N 1 2 406.922 1.722 20 0 HDADLO CCNC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165011786 721722219 /nfs/dbraw/zinc/72/22/19/721722219.db2.gz UPIWIGBIHSHGCL-UHFFFAOYSA-N 1 2 406.922 1.722 20 0 HDADLO COc1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912034 721769544 /nfs/dbraw/zinc/76/95/44/721769544.db2.gz JKFDWWZWPFLCAJ-LJQANCHMSA-N 1 2 405.886 1.641 20 0 HDADLO COc1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912034 721769547 /nfs/dbraw/zinc/76/95/47/721769547.db2.gz JKFDWWZWPFLCAJ-LJQANCHMSA-N 1 2 405.886 1.641 20 0 HDADLO NC(=O)c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913654 721770652 /nfs/dbraw/zinc/77/06/52/721770652.db2.gz ZPQZSUNXFJYENC-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913654 721770654 /nfs/dbraw/zinc/77/06/54/721770654.db2.gz ZPQZSUNXFJYENC-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO COC(=O)c1ccc(C)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911312 721771730 /nfs/dbraw/zinc/77/17/30/721771730.db2.gz GCBNSQVBWIQGQS-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1ccc(C)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911312 721771734 /nfs/dbraw/zinc/77/17/34/721771734.db2.gz GCBNSQVBWIQGQS-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO CCOC(=O)c1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915151 721780717 /nfs/dbraw/zinc/78/07/17/721780717.db2.gz IPVWZDWTVPHKKG-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915151 721780723 /nfs/dbraw/zinc/78/07/23/721780723.db2.gz IPVWZDWTVPHKKG-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO COC(=O)c1cc(C)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915221 721787908 /nfs/dbraw/zinc/78/79/08/721787908.db2.gz KLGVLMOKBBYFAO-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1cc(C)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915221 721787914 /nfs/dbraw/zinc/78/79/14/721787914.db2.gz KLGVLMOKBBYFAO-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO CCOC(=O)c1nccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915686 721796360 /nfs/dbraw/zinc/79/63/60/721796360.db2.gz XQNLXBMMFGOWOY-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1nccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915686 721796362 /nfs/dbraw/zinc/79/63/62/721796362.db2.gz XQNLXBMMFGOWOY-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO F[C@H](Oc1ccc(Cl)nn1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913749 721801512 /nfs/dbraw/zinc/80/15/12/721801512.db2.gz GUCDFISLHOLWNI-OALUTQOASA-N 1 2 423.876 1.760 20 0 HDADLO F[C@H](Oc1ccc(Cl)nn1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913749 721801516 /nfs/dbraw/zinc/80/15/16/721801516.db2.gz GUCDFISLHOLWNI-OALUTQOASA-N 1 2 423.876 1.760 20 0 HDADLO COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)c12 ZINC001164946585 721949459 /nfs/dbraw/zinc/94/94/59/721949459.db2.gz WFMNLOVBWUSFPZ-HOTGVXAUSA-N 1 2 412.450 1.439 20 0 HDADLO NC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944437 721970113 /nfs/dbraw/zinc/97/01/13/721970113.db2.gz ISLCEKPUHDUWAU-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO NC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944437 721970117 /nfs/dbraw/zinc/97/01/17/721970117.db2.gz ISLCEKPUHDUWAU-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO C[C@H]1C(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164945098 721974832 /nfs/dbraw/zinc/97/48/32/721974832.db2.gz CEKAXCQVMOYFEN-OAHLLOKOSA-N 1 2 406.490 1.503 20 0 HDADLO C[C@H]1C(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164945098 721974835 /nfs/dbraw/zinc/97/48/35/721974835.db2.gz CEKAXCQVMOYFEN-OAHLLOKOSA-N 1 2 406.490 1.503 20 0 HDADLO CCOC(=O)c1nccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948947 721979615 /nfs/dbraw/zinc/97/96/15/721979615.db2.gz NOIQLVMAGYGNAT-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1nccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948947 721979618 /nfs/dbraw/zinc/97/96/18/721979618.db2.gz NOIQLVMAGYGNAT-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055401 722016772 /nfs/dbraw/zinc/01/67/72/722016772.db2.gz IICJHRGDJUKMJR-MUUNZHRXSA-N 1 2 403.508 1.150 20 0 HDADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H]1Oc1ccccc1 ZINC000671395168 1073456141 /nfs/dbraw/zinc/45/61/41/1073456141.db2.gz BCHBFWTYRHEHRD-VSKRKVRLSA-N 1 2 423.513 1.860 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC000509072314 1073461567 /nfs/dbraw/zinc/46/15/67/1073461567.db2.gz SVVHGEHNCRDPFZ-QAPCUYQASA-N 1 2 409.552 1.891 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC000509072314 1073461573 /nfs/dbraw/zinc/46/15/73/1073461573.db2.gz SVVHGEHNCRDPFZ-QAPCUYQASA-N 1 2 409.552 1.891 20 0 HDADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000429085097 1073530152 /nfs/dbraw/zinc/53/01/52/1073530152.db2.gz XXEALLLGDBNGND-QAPCUYQASA-N 1 2 410.540 1.625 20 0 HDADLO CC(C)S(=O)(=O)N1CCC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000429095755 1073552659 /nfs/dbraw/zinc/55/26/59/1073552659.db2.gz SZWIDAPJUSGTKU-UHFFFAOYSA-N 1 2 419.551 1.933 20 0 HDADLO CCOC1CC(CNC(=O)NCc2ccccc2-n2cccn2)([NH+]2CCOCC2)C1 ZINC000429106854 1073594458 /nfs/dbraw/zinc/59/44/58/1073594458.db2.gz XTLMFZDYAGLIRQ-UHFFFAOYSA-N 1 2 413.522 1.941 20 0 HDADLO Cc1cc(N2CCN(C(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)nc(C(C)C)[nH+]1 ZINC000673659623 1073606605 /nfs/dbraw/zinc/60/66/05/1073606605.db2.gz WLWHMTIIDWHSMJ-UHFFFAOYSA-N 1 2 408.462 1.401 20 0 HDADLO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000429119572 1073672997 /nfs/dbraw/zinc/67/29/97/1073672997.db2.gz WWEDGGXWWHWUJY-UHFFFAOYSA-N 1 2 406.508 1.919 20 0 HDADLO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000429119572 1073673000 /nfs/dbraw/zinc/67/30/00/1073673000.db2.gz WWEDGGXWWHWUJY-UHFFFAOYSA-N 1 2 406.508 1.919 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CNS(=O)(=O)c3ccc(Cl)s3)[nH+]c12 ZINC000673747581 1073681273 /nfs/dbraw/zinc/68/12/73/1073681273.db2.gz YCULNDMEUAWSRX-UHFFFAOYSA-N 1 2 412.924 1.995 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[nH+]c12 ZINC000673746841 1073681983 /nfs/dbraw/zinc/68/19/83/1073681983.db2.gz BYBSOIUQEHFZBC-UHFFFAOYSA-N 1 2 415.453 1.939 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccn1 ZINC000509138353 1073714802 /nfs/dbraw/zinc/71/48/02/1073714802.db2.gz NLFVPIDREFXLHJ-HXUWFJFHSA-N 1 2 420.416 1.483 20 0 HDADLO CCOCCOCc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673782340 1073718179 /nfs/dbraw/zinc/71/81/79/1073718179.db2.gz BLTRMOUSVCXCMR-FQEVSTJZSA-N 1 2 419.522 1.501 20 0 HDADLO O=C(Nc1cccc(OC(F)(F)F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781937 1073720018 /nfs/dbraw/zinc/72/00/18/1073720018.db2.gz KUASPRRHOGEXBI-HNNXBMFYSA-N 1 2 401.385 1.847 20 0 HDADLO CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673782147 1073720060 /nfs/dbraw/zinc/72/00/60/1073720060.db2.gz AEQVFPQSACNWQA-QFBILLFUSA-N 1 2 416.522 1.477 20 0 HDADLO O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781729 1073720438 /nfs/dbraw/zinc/72/04/38/1073720438.db2.gz GAJPEZWZSLGRLX-WOJBJXKFSA-N 1 2 417.506 1.506 20 0 HDADLO CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673782775 1073723099 /nfs/dbraw/zinc/72/30/99/1073723099.db2.gz QJETXZWGIBVCLS-SFHVURJKSA-N 1 2 402.495 1.543 20 0 HDADLO O=C(Nc1cccc(OCc2cccnc2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783720 1073723150 /nfs/dbraw/zinc/72/31/50/1073723150.db2.gz GXYQVZDTCJFIEV-OAQYLSRUSA-N 1 2 424.501 1.922 20 0 HDADLO O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784527 1073723914 /nfs/dbraw/zinc/72/39/14/1073723914.db2.gz ZYXRPBSLWWGULV-GOSISDBHSA-N 1 2 424.505 1.611 20 0 HDADLO CCc1nnc(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)c2)o1 ZINC000673785586 1073727574 /nfs/dbraw/zinc/72/75/74/1073727574.db2.gz ULBHELBPKZIQHG-KRWDZBQOSA-N 1 2 413.478 1.561 20 0 HDADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1C(=O)NC(C)C ZINC000673785334 1073728862 /nfs/dbraw/zinc/72/88/62/1073728862.db2.gz QTRWXOBSNBEFSL-GOSISDBHSA-N 1 2 416.522 1.395 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)[nH+]c12 ZINC000673777273 1073733674 /nfs/dbraw/zinc/73/36/74/1073733674.db2.gz NFXSPFFJVVEODG-KRWDZBQOSA-N 1 2 407.540 1.689 20 0 HDADLO CNC(=O)COc1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673788532 1073742012 /nfs/dbraw/zinc/74/20/12/1073742012.db2.gz LRHVHZOTOYSLDL-UHFFFAOYSA-N 1 2 409.446 1.065 20 0 HDADLO CC[C@H](Sc1nc(CC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cs1)C(N)=O ZINC001128541972 1073742475 /nfs/dbraw/zinc/74/24/75/1073742475.db2.gz ZLTUBTXBVFCFPY-JSGCOSHPSA-N 1 2 400.570 1.221 20 0 HDADLO COc1cc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)ccc1NC(C)=O ZINC000673788272 1073742518 /nfs/dbraw/zinc/74/25/18/1073742518.db2.gz JLECFDPATRBCOA-UHFFFAOYSA-N 1 2 409.446 1.907 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCC(=O)OCc1ccccc1 ZINC000766035960 1073800805 /nfs/dbraw/zinc/80/08/05/1073800805.db2.gz CSEUYOOKJCZPAC-UHFFFAOYSA-N 1 2 424.501 1.760 20 0 HDADLO CCC(CC)C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000673872328 1073838118 /nfs/dbraw/zinc/83/81/18/1073838118.db2.gz DMEWOPAPUZQCMZ-UHFFFAOYSA-N 1 2 406.531 1.328 20 0 HDADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cn2)C[C@@H](C)O1 ZINC000673873055 1073839947 /nfs/dbraw/zinc/83/99/47/1073839947.db2.gz CXKLPCXXPULEDK-NUJGCVRESA-N 1 2 415.498 1.584 20 0 HDADLO C[C@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)c1nnnn1-c1ccccc1 ZINC000543498543 1073851589 /nfs/dbraw/zinc/85/15/89/1073851589.db2.gz GXZZBAYBFLBHPH-ZDUSSCGKSA-N 1 2 411.491 1.529 20 0 HDADLO C[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000543500553 1073868294 /nfs/dbraw/zinc/86/82/94/1073868294.db2.gz PQBHIELDUSRQSG-HZPDHXFCSA-N 1 2 422.489 1.832 20 0 HDADLO CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000673906568 1073879488 /nfs/dbraw/zinc/87/94/88/1073879488.db2.gz QKQKAWZCUJPGDL-QGZVFWFLSA-N 1 2 408.524 1.165 20 0 HDADLO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1nnnn1-c1ccccc1 ZINC000543502735 1073884518 /nfs/dbraw/zinc/88/45/18/1073884518.db2.gz GHMIFBHGYBKTPP-GFCCVEGCSA-N 1 2 409.406 1.390 20 0 HDADLO Cc1cc(N)nc(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)[nH+]1 ZINC000029914025 1073894133 /nfs/dbraw/zinc/89/41/33/1073894133.db2.gz DNUNBJPEFFHOIX-LBPRGKRZSA-N 1 2 412.562 1.737 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c([C@@H]3CCOC3)nnc2N(C)CCOC)nc[nH+]1 ZINC001299289727 1073933676 /nfs/dbraw/zinc/93/36/76/1073933676.db2.gz BRZMFFHDANIYRU-CVEARBPZSA-N 1 2 416.530 1.365 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c([C@@H]3CCOC3)nnc2N(C)CCOC)[nH+]cn1 ZINC001299289727 1073933680 /nfs/dbraw/zinc/93/36/80/1073933680.db2.gz BRZMFFHDANIYRU-CVEARBPZSA-N 1 2 416.530 1.365 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)Cc2ccccc2O1 ZINC000429182708 1073982932 /nfs/dbraw/zinc/98/29/32/1073982932.db2.gz PGDHGSKXZBVZGG-CQSZACIVSA-N 1 2 401.488 1.506 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)Cc2ccccc2O1 ZINC000429182708 1073982936 /nfs/dbraw/zinc/98/29/36/1073982936.db2.gz PGDHGSKXZBVZGG-CQSZACIVSA-N 1 2 401.488 1.506 20 0 HDADLO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527933 1074015135 /nfs/dbraw/zinc/01/51/35/1074015135.db2.gz COXCXMYBNFJDBP-UHFFFAOYSA-N 1 2 410.474 1.322 20 0 HDADLO Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(Cl)nn1C ZINC001005060765 1074022083 /nfs/dbraw/zinc/02/20/83/1074022083.db2.gz NQKWKINFHSCGOC-HVNMYJMUSA-N 1 2 402.886 1.770 20 0 HDADLO Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(Cl)nn1C ZINC001005060765 1074022091 /nfs/dbraw/zinc/02/20/91/1074022091.db2.gz NQKWKINFHSCGOC-HVNMYJMUSA-N 1 2 402.886 1.770 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000543536609 1074046187 /nfs/dbraw/zinc/04/61/87/1074046187.db2.gz GQKOIWWCPIPJCG-FQEVSTJZSA-N 1 2 414.481 1.940 20 0 HDADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000429197276 1074049227 /nfs/dbraw/zinc/04/92/27/1074049227.db2.gz OBLXFNWEXKMSEY-LZQZEXGQSA-N 1 2 413.522 1.398 20 0 HDADLO CC[NH+]1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3ccc(C)nc3)cc2)CC1 ZINC000509197306 1074055277 /nfs/dbraw/zinc/05/52/77/1074055277.db2.gz QAKVWZCPWYDFSH-UHFFFAOYSA-N 1 2 402.520 1.897 20 0 HDADLO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000543548297 1074063524 /nfs/dbraw/zinc/06/35/24/1074063524.db2.gz HSRVOZMERPWAIP-KBPBESRZSA-N 1 2 403.458 1.914 20 0 HDADLO CC[C@@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001626093525 1074074166 /nfs/dbraw/zinc/07/41/66/1074074166.db2.gz MOCPQUFUSMGBBD-OALUTQOASA-N 1 2 417.554 1.126 20 0 HDADLO CC[C@@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001626093525 1074074173 /nfs/dbraw/zinc/07/41/73/1074074173.db2.gz MOCPQUFUSMGBBD-OALUTQOASA-N 1 2 417.554 1.126 20 0 HDADLO CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001626093791 1074079785 /nfs/dbraw/zinc/07/97/85/1074079785.db2.gz OLZLKPCYDUHDOA-IAGOWNOFSA-N 1 2 416.522 1.604 20 0 HDADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766058941 1074167084 /nfs/dbraw/zinc/16/70/84/1074167084.db2.gz HAYDMMNEJCUMOI-IAGOWNOFSA-N 1 2 419.588 1.712 20 0 HDADLO CCOC(=O)CCCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032489485 1074169098 /nfs/dbraw/zinc/16/90/98/1074169098.db2.gz MXNJDRWZYJDGMK-UHFFFAOYSA-N 1 2 405.495 1.035 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccccc13)C2 ZINC001005111284 1074174490 /nfs/dbraw/zinc/17/44/90/1074174490.db2.gz QWXYFEWIKGWNNX-GHJUNDHASA-N 1 2 404.474 1.733 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(OCCC(N)=O)cc3)[nH+]c12 ZINC000674193716 1074207505 /nfs/dbraw/zinc/20/75/05/1074207505.db2.gz DEAGHGDFPZAOAH-UHFFFAOYSA-N 1 2 409.446 1.194 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC1 ZINC000674196182 1074211787 /nfs/dbraw/zinc/21/17/87/1074211787.db2.gz LMELXGZRBQJPOH-UHFFFAOYSA-N 1 2 413.478 1.697 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000674298608 1074263146 /nfs/dbraw/zinc/26/31/46/1074263146.db2.gz TUJKBQIURADMRN-QRQLOZEOSA-N 1 2 400.523 1.840 20 0 HDADLO CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000038530791 1074284451 /nfs/dbraw/zinc/28/44/51/1074284451.db2.gz KALFQQDKGBMTFK-UHFFFAOYSA-N 1 2 423.564 1.448 20 0 HDADLO CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000038530791 1074284458 /nfs/dbraw/zinc/28/44/58/1074284458.db2.gz KALFQQDKGBMTFK-UHFFFAOYSA-N 1 2 423.564 1.448 20 0 HDADLO C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1noc(Cc2ccccc2)n1 ZINC000674390016 1074308095 /nfs/dbraw/zinc/30/80/95/1074308095.db2.gz RZMCLSUDTJTZHD-RDJZCZTQSA-N 1 2 408.462 1.898 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCc1cccc(Br)c1 ZINC000674396717 1074310199 /nfs/dbraw/zinc/31/01/99/1074310199.db2.gz AQUTVJFGNUBZHQ-QGZVFWFLSA-N 1 2 414.344 1.716 20 0 HDADLO CN(CCN1CCCS1(=O)=O)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000674501220 1074393789 /nfs/dbraw/zinc/39/37/89/1074393789.db2.gz KRNDXJHUEMKHPY-UHFFFAOYSA-N 1 2 419.507 1.019 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CCN3c4cccc5cccc(c45)S3(=O)=O)CCN2C1=O ZINC000674501246 1074393953 /nfs/dbraw/zinc/39/39/53/1074393953.db2.gz IXAJTQHTZUOBJG-INIZCTEOSA-N 1 2 414.487 1.317 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CCN3c4cccc5cccc(c45)S3(=O)=O)CCN2C1=O ZINC000674501246 1074393961 /nfs/dbraw/zinc/39/39/61/1074393961.db2.gz IXAJTQHTZUOBJG-INIZCTEOSA-N 1 2 414.487 1.317 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)CCN2CCCS2(=O)=O)cc1F ZINC000674495905 1074407087 /nfs/dbraw/zinc/40/70/87/1074407087.db2.gz LSWOFLMRJSVRTN-CQSZACIVSA-N 1 2 401.504 1.149 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)cc1F ZINC000674495905 1074407092 /nfs/dbraw/zinc/40/70/92/1074407092.db2.gz LSWOFLMRJSVRTN-CQSZACIVSA-N 1 2 401.504 1.149 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1=O ZINC000674581493 1074457878 /nfs/dbraw/zinc/45/78/78/1074457878.db2.gz RIQPJSYLDUJOCI-LZJOCLMNSA-N 1 2 416.547 1.613 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)c3cccc(NC(=O)CCn4cc[nH+]c4)c3)CCN2C1=O ZINC000674594549 1074473243 /nfs/dbraw/zinc/47/32/43/1074473243.db2.gz MWNLSRXNHDIWGY-QGZVFWFLSA-N 1 2 424.461 1.020 20 0 HDADLO CCn1nc2c(cc1=O)CN(C(=O)NC[C@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000674609252 1074477958 /nfs/dbraw/zinc/47/79/58/1074477958.db2.gz SPIBIHZBBGRPBH-IBGZPJMESA-N 1 2 411.506 1.232 20 0 HDADLO CCn1nc2c(cc1=O)CN(C(=O)NC[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000674609252 1074477961 /nfs/dbraw/zinc/47/79/61/1074477961.db2.gz SPIBIHZBBGRPBH-IBGZPJMESA-N 1 2 411.506 1.232 20 0 HDADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000674694007 1074526344 /nfs/dbraw/zinc/52/63/44/1074526344.db2.gz OYOKNENOGMIMGY-UHFFFAOYSA-N 1 2 417.535 1.687 20 0 HDADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CCC(=O)N1C1CC1 ZINC000509237635 1074613550 /nfs/dbraw/zinc/61/35/50/1074613550.db2.gz RXACWKMRHHBXLE-AUUYWEPGSA-N 1 2 409.446 1.946 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674919654 1074621329 /nfs/dbraw/zinc/62/13/29/1074621329.db2.gz BPXWTJSILYUPKB-LEWJYISDSA-N 1 2 419.522 1.487 20 0 HDADLO COC1(c2ccccc2)CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000509307903 1074728686 /nfs/dbraw/zinc/72/86/86/1074728686.db2.gz XNOBBFVZJFXVGN-UHFFFAOYSA-N 1 2 422.529 1.757 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC(C)(C)[C@@H]2CCCCO2)CC1 ZINC000675206508 1074757148 /nfs/dbraw/zinc/75/71/48/1074757148.db2.gz YNVKLAMDQXUWBC-INIZCTEOSA-N 1 2 401.515 1.790 20 0 HDADLO O=C(CSc1ccccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCCC1 ZINC000675219065 1074760241 /nfs/dbraw/zinc/76/02/41/1074760241.db2.gz VYWBUGOJPGFTSN-QGZVFWFLSA-N 1 2 403.548 1.948 20 0 HDADLO COc1ccc(-c2nnc(SCC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)o2)cc1 ZINC000675218911 1074760477 /nfs/dbraw/zinc/76/04/77/1074760477.db2.gz KMAWRRZZGGVYSA-HNNXBMFYSA-N 1 2 404.492 1.770 20 0 HDADLO O=C(COc1ccccc1)N1CCC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000675218922 1074760600 /nfs/dbraw/zinc/76/06/00/1074760600.db2.gz LHLBJBARVXXNIG-LJQANCHMSA-N 1 2 401.507 1.237 20 0 HDADLO CN(CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(=O)c1ccc(Br)s1 ZINC000675220076 1074761556 /nfs/dbraw/zinc/76/15/56/1074761556.db2.gz ZHHOIHWAKRTMLZ-LBPRGKRZSA-N 1 2 416.341 1.516 20 0 HDADLO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219965 1074761747 /nfs/dbraw/zinc/76/17/47/1074761747.db2.gz UPHVZJFCGHEMJI-PBHICJAKSA-N 1 2 422.323 1.735 20 0 HDADLO O=C(NCCc1ccc2ccccc2c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448479071 1074772760 /nfs/dbraw/zinc/77/27/60/1074772760.db2.gz ROZLCNOWPDUQNU-UHFFFAOYSA-N 1 2 421.501 1.666 20 0 HDADLO CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000675264728 1074775372 /nfs/dbraw/zinc/77/53/72/1074775372.db2.gz OKCVHXDHLVLHHN-OAHLLOKOSA-N 1 2 408.455 1.369 20 0 HDADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675281803 1074786442 /nfs/dbraw/zinc/78/64/42/1074786442.db2.gz UGBDTLUBEGURSS-AEFFLSMTSA-N 1 2 421.925 1.886 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000429330142 1074810425 /nfs/dbraw/zinc/81/04/25/1074810425.db2.gz BVENTFSDPRXFED-CYBMUJFWSA-N 1 2 415.416 1.759 20 0 HDADLO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@@H](NS(C)(=O)=O)C3)ccc2c1 ZINC000041622028 1075118136 /nfs/dbraw/zinc/11/81/36/1075118136.db2.gz GFIVEXJAMPSRSO-LJQANCHMSA-N 1 2 419.547 1.820 20 0 HDADLO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@@H](NS(C)(=O)=O)C3)ccc2c1 ZINC000041622028 1075118138 /nfs/dbraw/zinc/11/81/38/1075118138.db2.gz GFIVEXJAMPSRSO-LJQANCHMSA-N 1 2 419.547 1.820 20 0 HDADLO Cc1cc[nH+]c(N2CCN(CC(=O)NCc3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000766163345 1075142732 /nfs/dbraw/zinc/14/27/32/1075142732.db2.gz RAMTYAUFMCEHQD-UHFFFAOYSA-N 1 2 407.518 1.955 20 0 HDADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)c1)[NH+]1CCOCC1 ZINC000675518523 1075184350 /nfs/dbraw/zinc/18/43/50/1075184350.db2.gz XYMZHVJPUBDCSK-HNNXBMFYSA-N 1 2 423.535 1.054 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000675519507 1075185031 /nfs/dbraw/zinc/18/50/31/1075185031.db2.gz HNTFSKXPYBSMCQ-WDYCEAGBSA-N 1 2 414.506 1.087 20 0 HDADLO CN(C)C(=O)CCN1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675511201 1075189788 /nfs/dbraw/zinc/18/97/88/1075189788.db2.gz QGGQTQLGJPYZKI-AWEZNQCLSA-N 1 2 404.338 1.829 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000596033630 1075191749 /nfs/dbraw/zinc/19/17/49/1075191749.db2.gz QODWMFXSEBHVAE-UHFFFAOYSA-N 1 2 406.490 2.531 20 0 HDADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000675586667 1075208130 /nfs/dbraw/zinc/20/81/30/1075208130.db2.gz DTFKLNUBQFOBPC-FQEVSTJZSA-N 1 2 411.506 1.653 20 0 HDADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)no1 ZINC000532178682 1075224501 /nfs/dbraw/zinc/22/45/01/1075224501.db2.gz BQSYSXBMQLYPSI-ARFHVFGLSA-N 1 2 410.540 1.803 20 0 HDADLO COC[C@@H](C)n1ccc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)n1 ZINC000571131901 1075236651 /nfs/dbraw/zinc/23/66/51/1075236651.db2.gz OUSIXXBTACGDTG-RHSMWYFYSA-N 1 2 402.499 2.060 20 0 HDADLO COC[C@@H](C)n1ccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)n1 ZINC000571131901 1075236655 /nfs/dbraw/zinc/23/66/55/1075236655.db2.gz OUSIXXBTACGDTG-RHSMWYFYSA-N 1 2 402.499 2.060 20 0 HDADLO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556033198 1075236723 /nfs/dbraw/zinc/23/67/23/1075236723.db2.gz UYKCQINEBCPQGS-CABCVRRESA-N 1 2 408.865 1.806 20 0 HDADLO CC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556033198 1075236726 /nfs/dbraw/zinc/23/67/26/1075236726.db2.gz UYKCQINEBCPQGS-CABCVRRESA-N 1 2 408.865 1.806 20 0 HDADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556033202 1075237325 /nfs/dbraw/zinc/23/73/25/1075237325.db2.gz UYKCQINEBCPQGS-GJZGRUSLSA-N 1 2 408.865 1.806 20 0 HDADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556033202 1075237329 /nfs/dbraw/zinc/23/73/29/1075237329.db2.gz UYKCQINEBCPQGS-GJZGRUSLSA-N 1 2 408.865 1.806 20 0 HDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC(F)(F)C1 ZINC000675647985 1075246983 /nfs/dbraw/zinc/24/69/83/1075246983.db2.gz JHDRNIVJYORTQQ-AWEZNQCLSA-N 1 2 417.482 1.020 20 0 HDADLO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)[C@H]1C(C)C ZINC000429370470 1075251411 /nfs/dbraw/zinc/25/14/11/1075251411.db2.gz DVLMSZSJTTZILW-AOIWGVFYSA-N 1 2 414.568 1.464 20 0 HDADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)[C@H]1C(C)C ZINC000429370470 1075251414 /nfs/dbraw/zinc/25/14/14/1075251414.db2.gz DVLMSZSJTTZILW-AOIWGVFYSA-N 1 2 414.568 1.464 20 0 HDADLO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000675697838 1075253128 /nfs/dbraw/zinc/25/31/28/1075253128.db2.gz CPJLWHFZAICAEO-KRWDZBQOSA-N 1 2 412.494 1.146 20 0 HDADLO COc1nc(C)cc(C)c1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675779823 1075268011 /nfs/dbraw/zinc/26/80/11/1075268011.db2.gz IZMIJQJJKOQFKR-UHFFFAOYSA-N 1 2 411.506 1.847 20 0 HDADLO Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)n2)cc1 ZINC000675784794 1075271227 /nfs/dbraw/zinc/27/12/27/1075271227.db2.gz BAYAQKJJPYYZJV-IAGOWNOFSA-N 1 2 401.536 1.930 20 0 HDADLO Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(C)C)cc1 ZINC000596034100 1075271603 /nfs/dbraw/zinc/27/16/03/1075271603.db2.gz CSDRNIIMIQVGEF-FQEVSTJZSA-N 1 2 413.522 1.917 20 0 HDADLO C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000675815112 1075276089 /nfs/dbraw/zinc/27/60/89/1075276089.db2.gz NVQZOJNFAITTBF-CABCVRRESA-N 1 2 414.428 1.689 20 0 HDADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc(Cl)c1OCC(N)=O ZINC000045824176 1075291474 /nfs/dbraw/zinc/29/14/74/1075291474.db2.gz CAVMQSMARXPUKI-UHFFFAOYSA-N 1 2 410.883 1.909 20 0 HDADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc(Cl)c1OCC(N)=O ZINC000045824176 1075291482 /nfs/dbraw/zinc/29/14/82/1075291482.db2.gz CAVMQSMARXPUKI-UHFFFAOYSA-N 1 2 410.883 1.909 20 0 HDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429385292 1075292792 /nfs/dbraw/zinc/29/27/92/1075292792.db2.gz KNHAORQGVQYRLG-UKRRQHHQSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429385292 1075292798 /nfs/dbraw/zinc/29/27/98/1075292798.db2.gz KNHAORQGVQYRLG-UKRRQHHQSA-N 1 2 414.428 1.831 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H]([NH+]2CCC(C(=O)N3CCOCC3)CC2)C1=O ZINC000466706545 1075296829 /nfs/dbraw/zinc/29/68/29/1075296829.db2.gz QLBOWRKGPAFUKQ-MRXNPFEDSA-N 1 2 421.519 1.211 20 0 HDADLO CCOC(=O)c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438332604 1075301674 /nfs/dbraw/zinc/30/16/74/1075301674.db2.gz RCVVZLCPWQTMDC-UHFFFAOYSA-N 1 2 401.467 1.714 20 0 HDADLO COc1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1NC(C)=O ZINC000470606843 1075325610 /nfs/dbraw/zinc/32/56/10/1075325610.db2.gz PYXSKBHXYKAVQD-UHFFFAOYSA-N 1 2 402.455 1.826 20 0 HDADLO CC[C@H](c1nnc(SCc2cc(C)n(C)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000676026900 1075328838 /nfs/dbraw/zinc/32/88/38/1075328838.db2.gz ONHHVKPVRFWSPZ-QGZVFWFLSA-N 1 2 407.588 1.957 20 0 HDADLO COc1ccc(CNc2cc(NCc3ccc(OC)nc3OC)[nH+]cn2)c(OC)n1 ZINC000579658091 1075381027 /nfs/dbraw/zinc/38/10/27/1075381027.db2.gz SIXDYSQGZQGSOX-UHFFFAOYSA-N 1 2 412.450 2.525 20 0 HDADLO C[C@@](O)(CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C[NH+]1CCOCC1 ZINC000543657200 1075387250 /nfs/dbraw/zinc/38/72/50/1075387250.db2.gz QYGJBYURNDUTPW-QGZVFWFLSA-N 1 2 411.915 1.485 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000676130561 1075390654 /nfs/dbraw/zinc/39/06/54/1075390654.db2.gz YYYYSMOLGZWNHA-HNNXBMFYSA-N 1 2 406.512 1.871 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000426970296 1075395584 /nfs/dbraw/zinc/39/55/84/1075395584.db2.gz CYJHXAISKOWKCA-UHFFFAOYSA-N 1 2 408.462 1.939 20 0 HDADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCCNC(=O)C(C)(C)C)CC2)cc1 ZINC000804098115 1075399966 /nfs/dbraw/zinc/39/99/66/1075399966.db2.gz PYFARAAMFVRAQE-UHFFFAOYSA-N 1 2 417.554 1.116 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)Nc3ccc4[nH+]c(C)cn4c3)n2)cc1 ZINC000564467269 1075406520 /nfs/dbraw/zinc/40/65/20/1075406520.db2.gz AQHAYXKRMNPUJS-UHFFFAOYSA-N 1 2 404.430 2.473 20 0 HDADLO CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000804110987 1075410143 /nfs/dbraw/zinc/41/01/43/1075410143.db2.gz DMRBBSNZAFJWBB-UZLBHIALSA-N 1 2 402.539 1.769 20 0 HDADLO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731648446 1075426296 /nfs/dbraw/zinc/42/62/96/1075426296.db2.gz FQXNMMBBACMKRU-KSSFIOAISA-N 1 2 407.536 1.520 20 0 HDADLO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731647935 1075427805 /nfs/dbraw/zinc/42/78/05/1075427805.db2.gz HAPWOCKIUGPWOM-MRXNPFEDSA-N 1 2 419.588 1.551 20 0 HDADLO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731649091 1075429058 /nfs/dbraw/zinc/42/90/58/1075429058.db2.gz YCROLTMIRKKGIJ-FQEVSTJZSA-N 1 2 419.547 1.576 20 0 HDADLO CC(C)(C)c1noc(CCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000731649101 1075429086 /nfs/dbraw/zinc/42/90/86/1075429086.db2.gz YOQYHORHOXZTEH-UHFFFAOYSA-N 1 2 400.545 1.315 20 0 HDADLO CC(C)Oc1ncc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1Cl ZINC000731648697 1075429603 /nfs/dbraw/zinc/42/96/03/1075429603.db2.gz GCWUAHQOKOHCPT-UHFFFAOYSA-N 1 2 403.932 1.761 20 0 HDADLO COc1ccc(SCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731648632 1075430379 /nfs/dbraw/zinc/43/03/79/1075430379.db2.gz PSUNYAIMTGKBSW-UHFFFAOYSA-N 1 2 400.566 1.803 20 0 HDADLO COc1ccc(Cl)cc1NCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731649512 1075430395 /nfs/dbraw/zinc/43/03/95/1075430395.db2.gz SGNGCOFITJTCDX-UHFFFAOYSA-N 1 2 403.932 1.386 20 0 HDADLO CC(C)(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc2c(c1)OCCO2 ZINC000731650333 1075430872 /nfs/dbraw/zinc/43/08/72/1075430872.db2.gz CZMGEIBGZAIMCQ-UHFFFAOYSA-N 1 2 410.536 1.361 20 0 HDADLO CC(=O)CCc1ccc(O[C@@H](C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650388 1075431498 /nfs/dbraw/zinc/43/14/98/1075431498.db2.gz HJENCCUFDJIBSX-KRWDZBQOSA-N 1 2 424.563 1.601 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000731650134 1075432494 /nfs/dbraw/zinc/43/24/94/1075432494.db2.gz COGXKZGTMICWHP-UHFFFAOYSA-N 1 2 411.499 1.170 20 0 HDADLO Cc1ccoc1CN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)Cc2occc2C)CC1 ZINC000429405856 1075435603 /nfs/dbraw/zinc/43/56/03/1075435603.db2.gz NWBBFMMHZLDVTG-UHFFFAOYSA-N 1 2 416.522 1.724 20 0 HDADLO Cc1ccoc1CN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)Cc2occc2C)CC1 ZINC000429405856 1075435608 /nfs/dbraw/zinc/43/56/08/1075435608.db2.gz NWBBFMMHZLDVTG-UHFFFAOYSA-N 1 2 416.522 1.724 20 0 HDADLO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650573 1075435799 /nfs/dbraw/zinc/43/57/99/1075435799.db2.gz UOHBEEGSNZCJPH-HXUWFJFHSA-N 1 2 421.563 1.148 20 0 HDADLO CCOC1CC(CNC(=O)c2cc[nH]c(=O)c2Br)([NH+]2CCOCC2)C1 ZINC000470216844 1075438858 /nfs/dbraw/zinc/43/88/58/1075438858.db2.gz VWDSNJRSWBJEOB-UHFFFAOYSA-N 1 2 414.300 1.549 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000676241574 1075443558 /nfs/dbraw/zinc/44/35/58/1075443558.db2.gz QTNBURSLSHPTEO-WBMJQRKESA-N 1 2 400.501 1.297 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000676241574 1075443561 /nfs/dbraw/zinc/44/35/61/1075443561.db2.gz QTNBURSLSHPTEO-WBMJQRKESA-N 1 2 400.501 1.297 20 0 HDADLO CN(C[C@@H]1OCCc2ccccc21)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686168 1075447494 /nfs/dbraw/zinc/44/74/94/1075447494.db2.gz MCARHAKATVBFAW-IBGZPJMESA-N 1 2 409.552 1.451 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000731687019 1075449834 /nfs/dbraw/zinc/44/98/34/1075449834.db2.gz UZRLBQGVLDVXFQ-KRWDZBQOSA-N 1 2 423.535 1.771 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000731687021 1075449850 /nfs/dbraw/zinc/44/98/50/1075449850.db2.gz UZRLBQGVLDVXFQ-QGZVFWFLSA-N 1 2 423.535 1.771 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2OC(F)F)CC1 ZINC000731680619 1075463249 /nfs/dbraw/zinc/46/32/49/1075463249.db2.gz QMLXXWFONVNHSD-UHFFFAOYSA-N 1 2 405.467 1.596 20 0 HDADLO CC[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1nnc2n1CCCCC2 ZINC000444388925 1075463253 /nfs/dbraw/zinc/46/32/53/1075463253.db2.gz HQRBFLQOEPLLDM-MRXNPFEDSA-N 1 2 416.530 1.806 20 0 HDADLO Cn1ccnc1[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731680751 1075464177 /nfs/dbraw/zinc/46/41/77/1075464177.db2.gz VFKDSOGPQGQXDF-GOSISDBHSA-N 1 2 419.551 1.318 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCOc2ccc(F)cc2)CC1 ZINC000731682208 1075465124 /nfs/dbraw/zinc/46/51/24/1075465124.db2.gz RFMUNTULTPXWFS-UHFFFAOYSA-N 1 2 401.504 1.403 20 0 HDADLO C[C@@H](COc1ccc(F)cc1F)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683846 1075468420 /nfs/dbraw/zinc/46/84/20/1075468420.db2.gz KAHMXVYLIDISAB-ZDUSSCGKSA-N 1 2 419.494 1.540 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000731685424 1075468714 /nfs/dbraw/zinc/46/87/14/1075468714.db2.gz FJCOMCQDVTXBDD-UHFFFAOYSA-N 1 2 422.473 1.472 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000676271159 1075473398 /nfs/dbraw/zinc/47/33/98/1075473398.db2.gz MWTLTRXBHLIWGE-UHFFFAOYSA-N 1 2 412.494 1.555 20 0 HDADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)c1 ZINC000541402711 1075494753 /nfs/dbraw/zinc/49/47/53/1075494753.db2.gz FOUHARQYOUEMGJ-HNNXBMFYSA-N 1 2 414.510 1.886 20 0 HDADLO Cc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731764727 1075500024 /nfs/dbraw/zinc/50/00/24/1075500024.db2.gz FHRFTNCKRBZFFK-UHFFFAOYSA-N 1 2 409.552 1.682 20 0 HDADLO C[C@@H]1Oc2ccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2NC1=O ZINC000731752309 1075508530 /nfs/dbraw/zinc/50/85/30/1075508530.db2.gz WHEHTMGAXSRRTL-LBPRGKRZSA-N 1 2 410.496 1.037 20 0 HDADLO CNC(=O)c1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1Cl ZINC000731754437 1075510558 /nfs/dbraw/zinc/51/05/58/1075510558.db2.gz ZMJYHFCHPODWDJ-UHFFFAOYSA-N 1 2 416.931 1.330 20 0 HDADLO CCCNC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731753766 1075511147 /nfs/dbraw/zinc/51/11/47/1075511147.db2.gz BREOLPYVGDYGTE-UHFFFAOYSA-N 1 2 410.540 1.457 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000731756318 1075512291 /nfs/dbraw/zinc/51/22/91/1075512291.db2.gz HVQACAJJRZUEPK-OAHLLOKOSA-N 1 2 420.938 1.855 20 0 HDADLO Cc1c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nnn1-c1ccc(OC(F)F)cc1 ZINC000676340115 1075513154 /nfs/dbraw/zinc/51/31/54/1075513154.db2.gz RGUBJUFFMPDHMZ-OAHLLOKOSA-N 1 2 407.421 1.724 20 0 HDADLO COc1cccc(-n2c(C)nnc2SCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000676340298 1075513507 /nfs/dbraw/zinc/51/35/07/1075513507.db2.gz ANWZERZMUVCBIB-QGZVFWFLSA-N 1 2 417.535 1.610 20 0 HDADLO COc1ccccc1OCCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000608312751 1075513641 /nfs/dbraw/zinc/51/36/41/1075513641.db2.gz YQVCSXSIUUWWOJ-UHFFFAOYSA-N 1 2 403.483 1.815 20 0 HDADLO COc1ccccc1CC(C)(C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731759626 1075514559 /nfs/dbraw/zinc/51/45/59/1075514559.db2.gz RKNXTASLXCFJEY-UHFFFAOYSA-N 1 2 411.568 1.825 20 0 HDADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC000676341509 1075515543 /nfs/dbraw/zinc/51/55/43/1075515543.db2.gz STBUTCQSDNSZSE-LJQANCHMSA-N 1 2 421.563 1.763 20 0 HDADLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676348144 1075520244 /nfs/dbraw/zinc/52/02/44/1075520244.db2.gz OPKJODMDIQTECI-TZMCWYRMSA-N 1 2 405.524 1.278 20 0 HDADLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676348144 1075520251 /nfs/dbraw/zinc/52/02/51/1075520251.db2.gz OPKJODMDIQTECI-TZMCWYRMSA-N 1 2 405.524 1.278 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676332506 1075522666 /nfs/dbraw/zinc/52/26/66/1075522666.db2.gz NPDUMDJGPBZTIE-MFKMUULPSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332506 1075522668 /nfs/dbraw/zinc/52/26/68/1075522668.db2.gz NPDUMDJGPBZTIE-MFKMUULPSA-N 1 2 401.364 1.874 20 0 HDADLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1 ZINC000578555251 1075530247 /nfs/dbraw/zinc/53/02/47/1075530247.db2.gz MISQEFGTTGFXPZ-KRWDZBQOSA-N 1 2 414.506 2.486 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)c2)cc[nH+]1 ZINC000542611571 1075541170 /nfs/dbraw/zinc/54/11/70/1075541170.db2.gz NTYUAHPVPJWCPR-UHFFFAOYSA-N 1 2 417.473 1.981 20 0 HDADLO O=C(NCc1ccc2c(c1)C(=O)NCC2)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000543673370 1075542973 /nfs/dbraw/zinc/54/29/73/1075542973.db2.gz JRZMCMPQFOLIIP-OAQYLSRUSA-N 1 2 422.529 1.715 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCC2(c3ccc(OC)cc3)CCC2)CC1 ZINC000676436611 1075553304 /nfs/dbraw/zinc/55/33/04/1075553304.db2.gz BWNDEAIGUQLURJ-UHFFFAOYSA-N 1 2 403.523 1.414 20 0 HDADLO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000676452330 1075557489 /nfs/dbraw/zinc/55/74/89/1075557489.db2.gz QOHBUZQGAZJPMW-SFHVURJKSA-N 1 2 411.506 1.751 20 0 HDADLO CSc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1C ZINC000441325521 1075559924 /nfs/dbraw/zinc/55/99/24/1075559924.db2.gz ULFAGRXKZIYAGS-UHFFFAOYSA-N 1 2 403.508 1.823 20 0 HDADLO Cc1nnc(-c2cccc(NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c2)n1C ZINC000470406456 1075561093 /nfs/dbraw/zinc/56/10/93/1075561093.db2.gz ZBDHENFTGRJVDP-UHFFFAOYSA-N 1 2 410.482 1.963 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H](N2CCCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000466731409 1075564238 /nfs/dbraw/zinc/56/42/38/1075564238.db2.gz NKUYUQPXDFYKBP-DOTOQJQBSA-N 1 2 407.536 1.827 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000466731409 1075564244 /nfs/dbraw/zinc/56/42/44/1075564244.db2.gz NKUYUQPXDFYKBP-DOTOQJQBSA-N 1 2 407.536 1.827 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000466731409 1075564248 /nfs/dbraw/zinc/56/42/48/1075564248.db2.gz NKUYUQPXDFYKBP-DOTOQJQBSA-N 1 2 407.536 1.827 20 0 HDADLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000731907063 1075565830 /nfs/dbraw/zinc/56/58/30/1075565830.db2.gz DRZKNESBUWXSON-LJQANCHMSA-N 1 2 419.503 1.899 20 0 HDADLO CSc1cccc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000509416790 1075565949 /nfs/dbraw/zinc/56/59/49/1075565949.db2.gz PHMQHIYZXDFPFX-UHFFFAOYSA-N 1 2 404.521 1.596 20 0 HDADLO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CCO2 ZINC000676504838 1075571657 /nfs/dbraw/zinc/57/16/57/1075571657.db2.gz BVMNGSNHNNKRCL-PKOBYXMFSA-N 1 2 417.506 1.348 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cnc(N4CCCC4)nc3)c[nH+]2)CC1 ZINC000676496374 1075573308 /nfs/dbraw/zinc/57/33/08/1075573308.db2.gz YMQYJMRSXGIZQS-UHFFFAOYSA-N 1 2 417.539 1.166 20 0 HDADLO C[C@H]1COCCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000676541538 1075580233 /nfs/dbraw/zinc/58/02/33/1075580233.db2.gz SVJOEDLBWOLVGU-DLBZAZTESA-N 1 2 404.515 1.102 20 0 HDADLO C[C@H]1COCCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000676541538 1075580237 /nfs/dbraw/zinc/58/02/37/1075580237.db2.gz SVJOEDLBWOLVGU-DLBZAZTESA-N 1 2 404.515 1.102 20 0 HDADLO CC(=O)Nc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(F)cc1F ZINC000731980692 1075582661 /nfs/dbraw/zinc/58/26/61/1075582661.db2.gz BDHKYCPUKCEDSP-GOSISDBHSA-N 1 2 424.448 1.575 20 0 HDADLO Cc1onc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1C ZINC000550575908 1075582977 /nfs/dbraw/zinc/58/29/77/1075582977.db2.gz ALZDVUHOVGVOKC-JKSUJKDBSA-N 1 2 406.870 2.071 20 0 HDADLO Cc1onc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000550575908 1075582983 /nfs/dbraw/zinc/58/29/83/1075582983.db2.gz ALZDVUHOVGVOKC-JKSUJKDBSA-N 1 2 406.870 2.071 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000676551419 1075583809 /nfs/dbraw/zinc/58/38/09/1075583809.db2.gz NUPLQLUTAIAKFP-FQEVSTJZSA-N 1 2 411.506 1.811 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1nnc(-c2ccccc2)o1 ZINC000731986774 1075586474 /nfs/dbraw/zinc/58/64/74/1075586474.db2.gz PQTYWDBEWTUTLC-QGZVFWFLSA-N 1 2 414.462 1.493 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000676556456 1075588489 /nfs/dbraw/zinc/58/84/89/1075588489.db2.gz RTUZJIHARVZCKE-UHFFFAOYSA-N 1 2 419.432 1.288 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000732064624 1075599555 /nfs/dbraw/zinc/59/95/55/1075599555.db2.gz WYPPIGSBDFOQDY-SREVYHEPSA-N 1 2 424.501 1.482 20 0 HDADLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448497261 1075599854 /nfs/dbraw/zinc/59/98/54/1075599854.db2.gz VFIHKQXWTQAJME-HNNXBMFYSA-N 1 2 419.913 2.027 20 0 HDADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000676593229 1075607422 /nfs/dbraw/zinc/60/74/22/1075607422.db2.gz DIKKSEAABUDJAJ-FQEVSTJZSA-N 1 2 402.502 1.723 20 0 HDADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676618350 1075617995 /nfs/dbraw/zinc/61/79/95/1075617995.db2.gz JAWYUUABGMVMTA-UHFFFAOYSA-N 1 2 409.437 1.939 20 0 HDADLO CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000732081456 1075618988 /nfs/dbraw/zinc/61/89/88/1075618988.db2.gz PWPVLOJEFIGWGL-INIZCTEOSA-N 1 2 417.583 1.938 20 0 HDADLO CN(C)c1nc(N)nc(COc2cccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2)n1 ZINC000533089053 1075633605 /nfs/dbraw/zinc/63/36/05/1075633605.db2.gz VMNFTUGIPVKPOV-CYBMUJFWSA-N 1 2 408.466 1.496 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)n1 ZINC000483059292 1075640902 /nfs/dbraw/zinc/64/09/02/1075640902.db2.gz SPZJLUWIFZKIJH-HNNXBMFYSA-N 1 2 400.483 1.398 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)n1 ZINC000590926553 1075641126 /nfs/dbraw/zinc/64/11/26/1075641126.db2.gz UHDKYKBRYAAAII-UHFFFAOYSA-N 1 2 421.509 1.545 20 0 HDADLO CC(=O)N1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)Oc2ccccc21 ZINC000732164776 1075642911 /nfs/dbraw/zinc/64/29/11/1075642911.db2.gz CHLIYOGICJKORJ-NZQKXSOJSA-N 1 2 423.513 1.860 20 0 HDADLO CCn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1=S ZINC000732191163 1075656153 /nfs/dbraw/zinc/65/61/53/1075656153.db2.gz OFTPHWKSMPSKGW-INIZCTEOSA-N 1 2 408.572 1.562 20 0 HDADLO CCn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1=S ZINC000732191163 1075656158 /nfs/dbraw/zinc/65/61/58/1075656158.db2.gz OFTPHWKSMPSKGW-INIZCTEOSA-N 1 2 408.572 1.562 20 0 HDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676717578 1075658707 /nfs/dbraw/zinc/65/87/07/1075658707.db2.gz WMTKQSBNNNVXJJ-FZKQIMNGSA-N 1 2 417.535 1.355 20 0 HDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676717578 1075658709 /nfs/dbraw/zinc/65/87/09/1075658709.db2.gz WMTKQSBNNNVXJJ-FZKQIMNGSA-N 1 2 417.535 1.355 20 0 HDADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCN2CCCS2(=O)=O)c(C)c1 ZINC000676725819 1075661974 /nfs/dbraw/zinc/66/19/74/1075661974.db2.gz ZKHJSKIIMWROKQ-LJQANCHMSA-N 1 2 419.551 1.966 20 0 HDADLO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000732210917 1075666731 /nfs/dbraw/zinc/66/67/31/1075666731.db2.gz NFIAWOQSJREQKX-OAHLLOKOSA-N 1 2 404.536 1.679 20 0 HDADLO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000732210917 1075666733 /nfs/dbraw/zinc/66/67/33/1075666733.db2.gz NFIAWOQSJREQKX-OAHLLOKOSA-N 1 2 404.536 1.679 20 0 HDADLO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000732204592 1075676175 /nfs/dbraw/zinc/67/61/75/1075676175.db2.gz OIINFRTXWFGMBI-FQEVSTJZSA-N 1 2 424.505 1.531 20 0 HDADLO CNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1OC ZINC000028695443 1075687169 /nfs/dbraw/zinc/68/71/69/1075687169.db2.gz QKAPDNCNXPSHHR-UHFFFAOYSA-N 1 2 414.487 1.778 20 0 HDADLO CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000494143701 1075711993 /nfs/dbraw/zinc/71/19/93/1075711993.db2.gz ABYFHXOXIKCZFE-FUHWJXTLSA-N 1 2 408.466 1.613 20 0 HDADLO Cn1nc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C1CC1 ZINC000582033044 1075729538 /nfs/dbraw/zinc/72/95/38/1075729538.db2.gz NJDNTTJMJXVUAF-CRAIPNDOSA-N 1 2 403.433 2.076 20 0 HDADLO Cn1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C1CC1 ZINC000582033044 1075729542 /nfs/dbraw/zinc/72/95/42/1075729542.db2.gz NJDNTTJMJXVUAF-CRAIPNDOSA-N 1 2 403.433 2.076 20 0 HDADLO CC(C)(C)C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(F)(F)F ZINC000478096053 1075753572 /nfs/dbraw/zinc/75/35/72/1075753572.db2.gz LIDBUVHMUQFXKL-ZDUSSCGKSA-N 1 2 419.448 1.637 20 0 HDADLO CC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543688208 1075753987 /nfs/dbraw/zinc/75/39/87/1075753987.db2.gz SXORGJLJUOZJQS-UCLAIMLFSA-N 1 2 412.456 1.965 20 0 HDADLO CC[N@H+]1CC[C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543688208 1075753990 /nfs/dbraw/zinc/75/39/90/1075753990.db2.gz SXORGJLJUOZJQS-UCLAIMLFSA-N 1 2 412.456 1.965 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCC(C2OCCO2)CC1 ZINC000732476595 1075757400 /nfs/dbraw/zinc/75/74/00/1075757400.db2.gz PTIYRUNYPKMVJX-FQEVSTJZSA-N 1 2 403.523 1.724 20 0 HDADLO Nc1nsc(N2CCN(C(=O)NCC[N@@H+]3CCc4c(Cl)cccc4C3)CC2)n1 ZINC000443555708 1075767834 /nfs/dbraw/zinc/76/78/34/1075767834.db2.gz XOCBQXVDPJUYMH-UHFFFAOYSA-N 1 2 421.958 1.664 20 0 HDADLO Nc1nsc(N2CCN(C(=O)NCC[N@H+]3CCc4c(Cl)cccc4C3)CC2)n1 ZINC000443555708 1075767840 /nfs/dbraw/zinc/76/78/40/1075767840.db2.gz XOCBQXVDPJUYMH-UHFFFAOYSA-N 1 2 421.958 1.664 20 0 HDADLO CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000533460016 1075773063 /nfs/dbraw/zinc/77/30/63/1075773063.db2.gz RAHBBIPOKJIBTG-UHFFFAOYSA-N 1 2 413.522 1.768 20 0 HDADLO CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000732659097 1075819024 /nfs/dbraw/zinc/81/90/24/1075819024.db2.gz QUGSFXUOQOIFQL-IBGZPJMESA-N 1 2 423.579 1.139 20 0 HDADLO CCOC(=O)CC[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000611049623 1075820863 /nfs/dbraw/zinc/82/08/63/1075820863.db2.gz WQGKAZWIZHUZCO-QGZVFWFLSA-N 1 2 407.515 1.803 20 0 HDADLO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000611064053 1075823087 /nfs/dbraw/zinc/82/30/87/1075823087.db2.gz SDVKWEAVPYTWMI-HOJAQTOUSA-N 1 2 405.587 1.445 20 0 HDADLO Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000470357602 1075841301 /nfs/dbraw/zinc/84/13/01/1075841301.db2.gz QGPJVCDLJAJVFN-UHFFFAOYSA-N 1 2 421.523 1.712 20 0 HDADLO O=C(c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)N1CC(Oc2cc[nH+]cc2)C1 ZINC000732760772 1075846870 /nfs/dbraw/zinc/84/68/70/1075846870.db2.gz LEYSIILCQFAQKR-UHFFFAOYSA-N 1 2 409.414 1.704 20 0 HDADLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(Nc3cnccn3)c2)nc[nH+]1 ZINC000464622327 1075860987 /nfs/dbraw/zinc/86/09/87/1075860987.db2.gz VSJQXUIEXWQSRL-QGZVFWFLSA-N 1 2 404.478 2.451 20 0 HDADLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(Nc3cnccn3)c2)[nH+]cn1 ZINC000464622327 1075860992 /nfs/dbraw/zinc/86/09/92/1075860992.db2.gz VSJQXUIEXWQSRL-QGZVFWFLSA-N 1 2 404.478 2.451 20 0 HDADLO O=C(CN1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000732807438 1075863080 /nfs/dbraw/zinc/86/30/80/1075863080.db2.gz MZPJYZLVRZWLGV-NRFANRHFSA-N 1 2 414.550 1.934 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000732810162 1075871751 /nfs/dbraw/zinc/87/17/51/1075871751.db2.gz SZXVKJLNHLTAQS-KRWDZBQOSA-N 1 2 422.551 1.352 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000732810162 1075871754 /nfs/dbraw/zinc/87/17/54/1075871754.db2.gz SZXVKJLNHLTAQS-KRWDZBQOSA-N 1 2 422.551 1.352 20 0 HDADLO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809896 1075872007 /nfs/dbraw/zinc/87/20/07/1075872007.db2.gz IBQUYYCBQNNBPC-OAHLLOKOSA-N 1 2 418.485 1.487 20 0 HDADLO O=C(CNC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc(F)c(F)c1 ZINC000732811231 1075872551 /nfs/dbraw/zinc/87/25/51/1075872551.db2.gz DOFYSEPQDLLYIR-OAHLLOKOSA-N 1 2 408.449 1.496 20 0 HDADLO O=C(CNC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc(F)c(F)c1 ZINC000732811231 1075872557 /nfs/dbraw/zinc/87/25/57/1075872557.db2.gz DOFYSEPQDLLYIR-OAHLLOKOSA-N 1 2 408.449 1.496 20 0 HDADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1C(=O)OC(C)(C)C ZINC000611189488 1075872904 /nfs/dbraw/zinc/87/29/04/1075872904.db2.gz XRMDBHODJNHBTE-OAHLLOKOSA-N 1 2 405.495 1.414 20 0 HDADLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812315 1075873399 /nfs/dbraw/zinc/87/33/99/1075873399.db2.gz ADWKTIRFPQGYCP-JSGCOSHPSA-N 1 2 400.401 1.496 20 0 HDADLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812315 1075873401 /nfs/dbraw/zinc/87/34/01/1075873401.db2.gz ADWKTIRFPQGYCP-JSGCOSHPSA-N 1 2 400.401 1.496 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814654 1075875353 /nfs/dbraw/zinc/87/53/53/1075875353.db2.gz UNKOFZKGZVCZSF-RDJZCZTQSA-N 1 2 412.456 1.819 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814654 1075875355 /nfs/dbraw/zinc/87/53/55/1075875355.db2.gz UNKOFZKGZVCZSF-RDJZCZTQSA-N 1 2 412.456 1.819 20 0 HDADLO COc1c(F)cc(Br)cc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000732814951 1075876409 /nfs/dbraw/zinc/87/64/09/1075876409.db2.gz OGGQZTDKLRRZRE-UHFFFAOYSA-N 1 2 413.334 1.924 20 0 HDADLO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000611326361 1075901449 /nfs/dbraw/zinc/90/14/49/1075901449.db2.gz FATSJLNRFGGXDY-OXQOHEQNSA-N 1 2 413.584 1.815 20 0 HDADLO CCN(CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccccc1 ZINC000732915509 1075911515 /nfs/dbraw/zinc/91/15/15/1075911515.db2.gz KKPYKFSOCCZQEC-IBGZPJMESA-N 1 2 424.549 1.925 20 0 HDADLO CCN(CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000732915509 1075911517 /nfs/dbraw/zinc/91/15/17/1075911517.db2.gz KKPYKFSOCCZQEC-IBGZPJMESA-N 1 2 424.549 1.925 20 0 HDADLO Cc1ncc(/C=C/C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000732915336 1075911910 /nfs/dbraw/zinc/91/19/10/1075911910.db2.gz FCHRVPLVFUVKEV-DWTRPJMMSA-N 1 2 414.535 1.877 20 0 HDADLO Cc1ncc(/C=C/C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000732915336 1075911913 /nfs/dbraw/zinc/91/19/13/1075911913.db2.gz FCHRVPLVFUVKEV-DWTRPJMMSA-N 1 2 414.535 1.877 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000611375570 1075923804 /nfs/dbraw/zinc/92/38/04/1075923804.db2.gz NPYMFTPVEKVKJL-CYBMUJFWSA-N 1 2 424.441 1.984 20 0 HDADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000611375570 1075923807 /nfs/dbraw/zinc/92/38/07/1075923807.db2.gz NPYMFTPVEKVKJL-CYBMUJFWSA-N 1 2 424.441 1.984 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000611540813 1075955523 /nfs/dbraw/zinc/95/55/23/1075955523.db2.gz ZSPNSXUJPFCOPI-CVEARBPZSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611540685 1075956904 /nfs/dbraw/zinc/95/69/04/1075956904.db2.gz NSFDCNYWDWQONA-CABCVRRESA-N 1 2 424.544 1.908 20 0 HDADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(CCO)CCN2CCOCC2)c(C)c1 ZINC000490996108 1075971097 /nfs/dbraw/zinc/97/10/97/1075971097.db2.gz MJIZVIUDWXPGLI-NRFANRHFSA-N 1 2 415.538 1.577 20 0 HDADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000510827653 1075992029 /nfs/dbraw/zinc/99/20/29/1075992029.db2.gz WKIBVXULNIMEOP-CQSZACIVSA-N 1 2 405.480 1.862 20 0 HDADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)c(=O)[nH]c1=O ZINC000050274387 1075992431 /nfs/dbraw/zinc/99/24/31/1075992431.db2.gz XQDUFGOMZODJMM-AWEZNQCLSA-N 1 2 402.451 1.176 20 0 HDADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)c(=O)[nH]c1=O ZINC000050274387 1075992434 /nfs/dbraw/zinc/99/24/34/1075992434.db2.gz XQDUFGOMZODJMM-AWEZNQCLSA-N 1 2 402.451 1.176 20 0 HDADLO CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)N3CC[NH+](CC)CC3)cc2[nH]c1=S ZINC000733159851 1075992500 /nfs/dbraw/zinc/99/25/00/1075992500.db2.gz YCSQDUQUJUFFAQ-CQSZACIVSA-N 1 2 403.552 1.461 20 0 HDADLO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000493893633 1075993233 /nfs/dbraw/zinc/99/32/33/1075993233.db2.gz HZIPWGQQDCLYAQ-NSHDSACASA-N 1 2 421.431 1.791 20 0 HDADLO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000493893633 1075993235 /nfs/dbraw/zinc/99/32/35/1075993235.db2.gz HZIPWGQQDCLYAQ-NSHDSACASA-N 1 2 421.431 1.791 20 0 HDADLO COC[C@@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)C1 ZINC000733183431 1076011666 /nfs/dbraw/zinc/01/16/66/1076011666.db2.gz KUTHXQNKIUIKDS-SJORKVTESA-N 1 2 411.572 1.746 20 0 HDADLO COC[C@@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)C1 ZINC000733183431 1076011670 /nfs/dbraw/zinc/01/16/70/1076011670.db2.gz KUTHXQNKIUIKDS-SJORKVTESA-N 1 2 411.572 1.746 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)no1 ZINC000514001565 1076014827 /nfs/dbraw/zinc/01/48/27/1076014827.db2.gz LMVPYJFMZBULQN-MRXNPFEDSA-N 1 2 415.498 1.497 20 0 HDADLO CO[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959749 1076019930 /nfs/dbraw/zinc/01/99/30/1076019930.db2.gz WDJHFGKESIZODP-CRFTYCKYSA-N 1 2 406.910 1.958 20 0 HDADLO CO[C@@H]1C[N@@H+](CCOc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959749 1076019936 /nfs/dbraw/zinc/01/99/36/1076019936.db2.gz WDJHFGKESIZODP-CRFTYCKYSA-N 1 2 406.910 1.958 20 0 HDADLO COCC[N@H+](CCC(=O)OC)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000733309605 1076035124 /nfs/dbraw/zinc/03/51/24/1076035124.db2.gz CNQVVNPOGRETBH-UHFFFAOYSA-N 1 2 400.859 1.951 20 0 HDADLO COCC[N@@H+](CCC(=O)OC)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000733309605 1076035133 /nfs/dbraw/zinc/03/51/33/1076035133.db2.gz CNQVVNPOGRETBH-UHFFFAOYSA-N 1 2 400.859 1.951 20 0 HDADLO COc1ccc([C@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+](C)C)cc1OC ZINC000733350344 1076049806 /nfs/dbraw/zinc/04/98/06/1076049806.db2.gz JXJYJDAPJBCGIN-HNNXBMFYSA-N 1 2 415.556 1.819 20 0 HDADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000727146089 1076053133 /nfs/dbraw/zinc/05/31/33/1076053133.db2.gz JPDLAOJZJWTNOL-KXBFYZLASA-N 1 2 401.573 1.860 20 0 HDADLO CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053494970 1076057467 /nfs/dbraw/zinc/05/74/67/1076057467.db2.gz BLIGUUKKJDZSDS-UHFFFAOYSA-N 1 2 413.503 1.325 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000021935214 1076064690 /nfs/dbraw/zinc/06/46/90/1076064690.db2.gz ZBVSMGDIJSHOFV-UHFFFAOYSA-N 1 2 409.494 1.014 20 0 HDADLO O=C(COC(=O)CCc1cscn1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000733529132 1076095266 /nfs/dbraw/zinc/09/52/66/1076095266.db2.gz BPAVWAIQNIDLHW-UHFFFAOYSA-N 1 2 403.504 1.768 20 0 HDADLO CN(CC(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000733590975 1076119182 /nfs/dbraw/zinc/11/91/82/1076119182.db2.gz KSQDBDOLLLGKSB-UHFFFAOYSA-N 1 2 411.502 1.815 20 0 HDADLO CO[C@@H](CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC000733673911 1076156879 /nfs/dbraw/zinc/15/68/79/1076156879.db2.gz KOQPWUOSBQQBCC-WFASDCNBSA-N 1 2 403.401 1.712 20 0 HDADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)ccc2[nH]1 ZINC000526922415 1076191551 /nfs/dbraw/zinc/19/15/51/1076191551.db2.gz QGYQSZQVSVNLQL-IBGZPJMESA-N 1 2 405.458 1.769 20 0 HDADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)ccc2[nH]1 ZINC000526922415 1076191553 /nfs/dbraw/zinc/19/15/53/1076191553.db2.gz QGYQSZQVSVNLQL-IBGZPJMESA-N 1 2 405.458 1.769 20 0 HDADLO CCOc1ccccc1N1C(=O)C(=O)N(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)C1=O ZINC000733791021 1076208675 /nfs/dbraw/zinc/20/86/75/1076208675.db2.gz HUWQENBCHMSJIE-CQSZACIVSA-N 1 2 415.446 1.613 20 0 HDADLO COCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2S1(=O)=O ZINC000727738101 1076214556 /nfs/dbraw/zinc/21/45/56/1076214556.db2.gz FZUQWLNVUSWCNO-CQSZACIVSA-N 1 2 418.475 1.220 20 0 HDADLO CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531922925 1076237662 /nfs/dbraw/zinc/23/76/62/1076237662.db2.gz WZFFDDNQKDFDRP-MJGOQNOKSA-N 1 2 402.495 1.652 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)no1 ZINC000533122035 1076241283 /nfs/dbraw/zinc/24/12/83/1076241283.db2.gz DUBGAPZQALMEBX-KRWDZBQOSA-N 1 2 410.478 1.780 20 0 HDADLO Cn1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1=O ZINC000533827712 1076244707 /nfs/dbraw/zinc/24/47/07/1076244707.db2.gz ACKNSDQGKQRWHM-HNNXBMFYSA-N 1 2 419.279 1.389 20 0 HDADLO Cn1cc(Br)cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1=O ZINC000533827712 1076244713 /nfs/dbraw/zinc/24/47/13/1076244713.db2.gz ACKNSDQGKQRWHM-HNNXBMFYSA-N 1 2 419.279 1.389 20 0 HDADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000533827472 1076244762 /nfs/dbraw/zinc/24/47/62/1076244762.db2.gz CTUOKBLOGYFGHE-AUUYWEPGSA-N 1 2 410.474 1.901 20 0 HDADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000533827472 1076244771 /nfs/dbraw/zinc/24/47/71/1076244771.db2.gz CTUOKBLOGYFGHE-AUUYWEPGSA-N 1 2 410.474 1.901 20 0 HDADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533829941 1076245086 /nfs/dbraw/zinc/24/50/86/1076245086.db2.gz MHXVYKSSXKUHDG-GOSISDBHSA-N 1 2 401.488 1.722 20 0 HDADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533829941 1076245093 /nfs/dbraw/zinc/24/50/93/1076245093.db2.gz MHXVYKSSXKUHDG-GOSISDBHSA-N 1 2 401.488 1.722 20 0 HDADLO CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1Cl ZINC000534542037 1076248469 /nfs/dbraw/zinc/24/84/69/1076248469.db2.gz SAXWXGWRZKXJAH-KRWDZBQOSA-N 1 2 400.866 1.941 20 0 HDADLO CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1Cl ZINC000534542037 1076248473 /nfs/dbraw/zinc/24/84/73/1076248473.db2.gz SAXWXGWRZKXJAH-KRWDZBQOSA-N 1 2 400.866 1.941 20 0 HDADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1F ZINC000536030895 1076253882 /nfs/dbraw/zinc/25/38/82/1076253882.db2.gz PQQRUAYJPJRZIC-KRWDZBQOSA-N 1 2 409.425 1.351 20 0 HDADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1F ZINC000536030895 1076253887 /nfs/dbraw/zinc/25/38/87/1076253887.db2.gz PQQRUAYJPJRZIC-KRWDZBQOSA-N 1 2 409.425 1.351 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000536069755 1076255147 /nfs/dbraw/zinc/25/51/47/1076255147.db2.gz WMIAQJRJNOOMQQ-FQEVSTJZSA-N 1 2 412.465 1.904 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000536069755 1076255152 /nfs/dbraw/zinc/25/51/52/1076255152.db2.gz WMIAQJRJNOOMQQ-FQEVSTJZSA-N 1 2 412.465 1.904 20 0 HDADLO CC(C)(C)/C=C/C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065700997 1076257094 /nfs/dbraw/zinc/25/70/94/1076257094.db2.gz WJAOLRIPFRUIAR-DAZVLMCRSA-N 1 2 401.551 1.757 20 0 HDADLO C[C@@]1(c2ccc(Br)s2)NC(=O)N(C[NH+]2CCC(C(N)=O)CC2)C1=O ZINC000727816515 1076261591 /nfs/dbraw/zinc/26/15/91/1076261591.db2.gz XENRRCZMMSLZQD-HNNXBMFYSA-N 1 2 415.313 1.432 20 0 HDADLO O=C(COC(=O)c1ccc(N2CCCC2)nn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000727874794 1076282082 /nfs/dbraw/zinc/28/20/82/1076282082.db2.gz MZXNHBLNASECGO-UHFFFAOYSA-N 1 2 415.519 1.640 20 0 HDADLO Cc1oc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)c2c1c(C)n[nH]c2=O ZINC000022835302 1076300796 /nfs/dbraw/zinc/30/07/96/1076300796.db2.gz PGQBNMBFBHMOBS-UHFFFAOYSA-N 1 2 401.492 1.951 20 0 HDADLO CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000734072260 1076301904 /nfs/dbraw/zinc/30/19/04/1076301904.db2.gz XXDGTMCLUVCUAA-OAHLLOKOSA-N 1 2 407.458 1.966 20 0 HDADLO CN(CCS(C)(=O)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000734072260 1076301910 /nfs/dbraw/zinc/30/19/10/1076301910.db2.gz XXDGTMCLUVCUAA-OAHLLOKOSA-N 1 2 407.458 1.966 20 0 HDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000734098831 1076304306 /nfs/dbraw/zinc/30/43/06/1076304306.db2.gz KDZFYMUJRHVCEX-OAHLLOKOSA-N 1 2 419.576 1.482 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728121667 1076338286 /nfs/dbraw/zinc/33/82/86/1076338286.db2.gz ROMIXUGAUFXJPB-HXUWFJFHSA-N 1 2 424.542 1.992 20 0 HDADLO Cc1cc(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C3OCCO3)CC2)nc(C(C)C)n1 ZINC000728172926 1076363878 /nfs/dbraw/zinc/36/38/78/1076363878.db2.gz PHGDXYXQPKNFRR-GOSISDBHSA-N 1 2 417.554 1.784 20 0 HDADLO Cc1cc(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C3OCCO3)CC2)nc(C(C)C)n1 ZINC000728172926 1076363881 /nfs/dbraw/zinc/36/38/81/1076363881.db2.gz PHGDXYXQPKNFRR-GOSISDBHSA-N 1 2 417.554 1.784 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[NH+]([C@H]2CCN(c3ncc(Cl)cn3)C2)CC1 ZINC001065206426 1076367659 /nfs/dbraw/zinc/36/76/59/1076367659.db2.gz LJQAPDDEJNUVKN-RFSXOUPVSA-N 1 2 403.914 1.276 20 0 HDADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cn2nnn(C3CCOCC3)c2=S)CC1 ZINC000729980932 1076405574 /nfs/dbraw/zinc/40/55/74/1076405574.db2.gz DLRGPEOQICNUGY-INIZCTEOSA-N 1 2 423.587 1.137 20 0 HDADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cn2nnn(C3CCOCC3)c2=S)CC1 ZINC000729983576 1076406801 /nfs/dbraw/zinc/40/68/01/1076406801.db2.gz OBGLSKJGHAIIOO-HNNXBMFYSA-N 1 2 423.587 1.183 20 0 HDADLO Cn1cc(C[NH+]2CCN(Cn3c(=O)oc4cc(Br)ccc43)CC2)cn1 ZINC000729988821 1076408508 /nfs/dbraw/zinc/40/85/08/1076408508.db2.gz OFIRIDAUYDRGGW-UHFFFAOYSA-N 1 2 406.284 1.866 20 0 HDADLO COC(=O)c1nn(CN2CC[NH+](Cc3cnn(C)c3)CC2)c(C)c1Br ZINC000729989493 1076408828 /nfs/dbraw/zinc/40/88/28/1076408828.db2.gz WUNCQZAYOOSNBQ-UHFFFAOYSA-N 1 2 411.304 1.249 20 0 HDADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1 ZINC000730085187 1076434169 /nfs/dbraw/zinc/43/41/69/1076434169.db2.gz DAYRYHGCAOJLBM-OAHLLOKOSA-N 1 2 403.531 1.245 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000730134061 1076460225 /nfs/dbraw/zinc/46/02/25/1076460225.db2.gz LUBSINVACFSADK-QGZVFWFLSA-N 1 2 411.591 1.911 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000730120197 1076463979 /nfs/dbraw/zinc/46/39/79/1076463979.db2.gz DQXLBMWVOCYBAC-KXBFYZLASA-N 1 2 414.572 1.503 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000730228668 1076485645 /nfs/dbraw/zinc/48/56/45/1076485645.db2.gz VTLHAHSMXPCHMN-HKUYNNGSSA-N 1 2 404.555 1.875 20 0 HDADLO CCOC(=O)[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000730252073 1076496955 /nfs/dbraw/zinc/49/69/55/1076496955.db2.gz MAIGWVNEZDMZCE-IERDGZPVSA-N 1 2 403.479 1.781 20 0 HDADLO CCOC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000730252073 1076496956 /nfs/dbraw/zinc/49/69/56/1076496956.db2.gz MAIGWVNEZDMZCE-IERDGZPVSA-N 1 2 403.479 1.781 20 0 HDADLO COc1cc(CNC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000730263141 1076504013 /nfs/dbraw/zinc/50/40/13/1076504013.db2.gz OSLDZTNAJSLTHR-HNNXBMFYSA-N 1 2 423.510 1.928 20 0 HDADLO COc1cc(CNC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000730263141 1076504018 /nfs/dbraw/zinc/50/40/18/1076504018.db2.gz OSLDZTNAJSLTHR-HNNXBMFYSA-N 1 2 423.510 1.928 20 0 HDADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000730263634 1076504895 /nfs/dbraw/zinc/50/48/95/1076504895.db2.gz HMWRQHUFIQUNBJ-QGZVFWFLSA-N 1 2 404.511 1.991 20 0 HDADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000730263634 1076504899 /nfs/dbraw/zinc/50/48/99/1076504899.db2.gz HMWRQHUFIQUNBJ-QGZVFWFLSA-N 1 2 404.511 1.991 20 0 HDADLO C[NH+](C)C1CCN(c2ccc(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2F)CC1 ZINC000730545879 1076597666 /nfs/dbraw/zinc/59/76/66/1076597666.db2.gz PBUWUJJIFWNLNN-UHFFFAOYSA-N 1 2 413.457 1.379 20 0 HDADLO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731004538 1076708332 /nfs/dbraw/zinc/70/83/32/1076708332.db2.gz PXXWKXLOLVJVIH-LLVKDONJSA-N 1 2 421.491 1.299 20 0 HDADLO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731004538 1076708339 /nfs/dbraw/zinc/70/83/39/1076708339.db2.gz PXXWKXLOLVJVIH-LLVKDONJSA-N 1 2 421.491 1.299 20 0 HDADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164642231 719276397 /nfs/dbraw/zinc/27/63/97/719276397.db2.gz ZANMQDNNPASJTJ-UHFFFAOYSA-N 1 2 420.510 1.026 20 0 HDADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164642231 719276399 /nfs/dbraw/zinc/27/63/99/719276399.db2.gz ZANMQDNNPASJTJ-UHFFFAOYSA-N 1 2 420.510 1.026 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(N2CCCCC2)nn1 ZINC001164700916 719838481 /nfs/dbraw/zinc/83/84/81/719838481.db2.gz LFLMFRMZVXVVRL-DYESRHJHSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164698688 719839832 /nfs/dbraw/zinc/83/98/32/719839832.db2.gz HAWRKNNCPUDPTF-KZULUSFZSA-N 1 2 412.874 1.149 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(CN2CCOCC2)cn1 ZINC001164703272 719841429 /nfs/dbraw/zinc/84/14/29/719841429.db2.gz PRCFMNYJMVEXOP-SIKLNZKXSA-N 1 2 418.538 1.147 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(CN2CCOCC2)cn1 ZINC001164703271 719841570 /nfs/dbraw/zinc/84/15/70/719841570.db2.gz PRCFMNYJMVEXOP-KNQAVFIVSA-N 1 2 418.538 1.147 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OC(C)C)nn1 ZINC001164699327 719845758 /nfs/dbraw/zinc/84/57/58/719845758.db2.gz HJVXNTULGPBAQE-YWZLYKJASA-N 1 2 406.483 1.275 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C ZINC001164704744 719852289 /nfs/dbraw/zinc/85/22/89/719852289.db2.gz SOWMLVQGIBEYFR-FOIQADDNSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CC2)cn1 ZINC001164704638 719857177 /nfs/dbraw/zinc/85/71/77/719857177.db2.gz SCLJQOTZGURDCS-LAUBAEHRSA-N 1 2 402.495 1.207 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cccnc2F)n1 ZINC001164706794 719862158 /nfs/dbraw/zinc/86/21/58/719862158.db2.gz YYHMQETVZTWLQV-BTYIYWSLSA-N 1 2 415.469 1.910 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-n2cnc(C)c2)nn1 ZINC001164706368 719862256 /nfs/dbraw/zinc/86/22/56/719862256.db2.gz WPOZMVLJHFFPAI-UZLBHIALSA-N 1 2 400.483 1.203 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(N2CCCCC2)n1 ZINC001164703188 719862531 /nfs/dbraw/zinc/86/25/31/719862531.db2.gz PJPAUYHIGHGSGN-LAUBAEHRSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(ccn2C)c(OC)n1 ZINC001164707244 719877835 /nfs/dbraw/zinc/87/78/35/719877835.db2.gz RTMRTJYQDQUIKT-XOBRGWDASA-N 1 2 403.483 1.210 20 0 HDADLO Cc1nc2sccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164701813 719925588 /nfs/dbraw/zinc/92/55/88/719925588.db2.gz CDGTWDDXAIWZIK-UHFFFAOYSA-N 1 2 411.535 1.684 20 0 HDADLO Cc1csc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164703548 719929571 /nfs/dbraw/zinc/92/95/71/719929571.db2.gz KHOKSSZWRQKGEA-UHFFFAOYSA-N 1 2 411.535 1.684 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718664 720249778 /nfs/dbraw/zinc/24/97/78/720249778.db2.gz GJIAZKJHJIEIRB-ROUUACIJSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718664 720249783 /nfs/dbraw/zinc/24/97/83/720249783.db2.gz GJIAZKJHJIEIRB-ROUUACIJSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(-c4cccc(F)c4)n3)C2)C1 ZINC001164721300 720291139 /nfs/dbraw/zinc/29/11/39/720291139.db2.gz JGTXFINGAWXPHY-NRFANRHFSA-N 1 2 414.485 1.343 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(-c4cccc(F)c4)n3)C2)C1 ZINC001164721300 720291146 /nfs/dbraw/zinc/29/11/46/720291146.db2.gz JGTXFINGAWXPHY-NRFANRHFSA-N 1 2 414.485 1.343 20 0 HDADLO COc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826855 720361780 /nfs/dbraw/zinc/36/17/80/720361780.db2.gz ZVJFNSLNMBCTRS-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO COc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826855 720361786 /nfs/dbraw/zinc/36/17/86/720361786.db2.gz ZVJFNSLNMBCTRS-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(C)c(C)n4)CC3)C2=O)cs1 ZINC001164821415 720383995 /nfs/dbraw/zinc/38/39/95/720383995.db2.gz GIOOOEKLDFZJBC-UHFFFAOYSA-N 1 2 401.540 1.567 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(C)c(C)n4)CC3)C2=O)cs1 ZINC001164821415 720384001 /nfs/dbraw/zinc/38/40/01/720384001.db2.gz GIOOOEKLDFZJBC-UHFFFAOYSA-N 1 2 401.540 1.567 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc3ccccc3n1)C2 ZINC001164827064 720433755 /nfs/dbraw/zinc/43/37/55/720433755.db2.gz QRXFCVWYSZNOTE-QGZVFWFLSA-N 1 2 408.506 1.816 20 0 HDADLO CCOc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825690 720445133 /nfs/dbraw/zinc/44/51/33/720445133.db2.gz UIEPRPACAQLBDS-MRXNPFEDSA-N 1 2 402.499 1.061 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3cccnc3n1)C2 ZINC001164824081 720448518 /nfs/dbraw/zinc/44/85/18/720448518.db2.gz LSRINPPXBOBPIA-GOSISDBHSA-N 1 2 408.506 1.816 20 0 HDADLO CC(C)c1nccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830022 720456245 /nfs/dbraw/zinc/45/62/45/720456245.db2.gz ITUWVCMVSHJTHN-QGZVFWFLSA-N 1 2 400.527 1.786 20 0 HDADLO COc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164831738 720465140 /nfs/dbraw/zinc/46/51/40/720465140.db2.gz PDYVKJKRBBCXCW-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)CCCC3)C2 ZINC001164830457 720478446 /nfs/dbraw/zinc/47/84/46/720478446.db2.gz BRFWLWFFCNXCPY-GOSISDBHSA-N 1 2 412.538 1.542 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164859440 720896537 /nfs/dbraw/zinc/89/65/37/720896537.db2.gz QXIDMFZTEKQHGA-QGZVFWFLSA-N 1 2 405.821 1.469 20 0 HDADLO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164908699 721535089 /nfs/dbraw/zinc/53/50/89/721535089.db2.gz QFLQDJMRAABUHE-GOEBONIOSA-N 1 2 422.482 1.370 20 0 HDADLO COc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164908699 721535097 /nfs/dbraw/zinc/53/50/97/721535097.db2.gz QFLQDJMRAABUHE-GOEBONIOSA-N 1 2 422.482 1.370 20 0 HDADLO COC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164913285 721780234 /nfs/dbraw/zinc/78/02/34/721780234.db2.gz VPZMLYSVYPAXOD-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164913285 721780238 /nfs/dbraw/zinc/78/02/38/721780238.db2.gz VPZMLYSVYPAXOD-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)Cc1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916241 721780863 /nfs/dbraw/zinc/78/08/63/721780863.db2.gz PCDHTUUMWXMKLO-JOCHJYFZSA-N 1 2 412.490 1.300 20 0 HDADLO COC(=O)Cc1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916241 721780865 /nfs/dbraw/zinc/78/08/65/721780865.db2.gz PCDHTUUMWXMKLO-JOCHJYFZSA-N 1 2 412.490 1.300 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cn1 ZINC001164945849 721973077 /nfs/dbraw/zinc/97/30/77/721973077.db2.gz TXLALUDFGBKRGU-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cn1 ZINC001164945849 721973080 /nfs/dbraw/zinc/97/30/80/721973080.db2.gz TXLALUDFGBKRGU-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO COCCOc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164951421 721978591 /nfs/dbraw/zinc/97/85/91/721978591.db2.gz ZJADWVJXEKKAOR-UHFFFAOYSA-N 1 2 411.506 1.473 20 0 HDADLO COCCOc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164951421 721978594 /nfs/dbraw/zinc/97/85/94/721978594.db2.gz ZJADWVJXEKKAOR-UHFFFAOYSA-N 1 2 411.506 1.473 20 0 HDADLO O=C1CSc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2N1 ZINC001164945644 721981599 /nfs/dbraw/zinc/98/15/99/721981599.db2.gz CIIOKKABWKEQDT-UHFFFAOYSA-N 1 2 424.530 1.492 20 0 HDADLO O=C1CSc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2N1 ZINC001164945644 721981600 /nfs/dbraw/zinc/98/16/00/721981600.db2.gz CIIOKKABWKEQDT-UHFFFAOYSA-N 1 2 424.530 1.492 20 0 HDADLO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673640844 1073473053 /nfs/dbraw/zinc/47/30/53/1073473053.db2.gz ZAAACODVYYOODN-LJQANCHMSA-N 1 2 402.520 1.282 20 0 HDADLO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673640844 1073473056 /nfs/dbraw/zinc/47/30/56/1073473056.db2.gz ZAAACODVYYOODN-LJQANCHMSA-N 1 2 402.520 1.282 20 0 HDADLO O=C(NCc1cccc2c1OCCCO2)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000429071153 1073509445 /nfs/dbraw/zinc/50/94/45/1073509445.db2.gz PNCCSVPVNYHWMZ-HXUWFJFHSA-N 1 2 407.536 1.855 20 0 HDADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1nc(Br)ccc1Br ZINC001299281992 1073515658 /nfs/dbraw/zinc/51/56/58/1073515658.db2.gz WDLIAZFCVAZMNX-VIFPVBQESA-N 1 2 407.106 1.745 20 0 HDADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1nc(Br)ccc1Br ZINC001299281992 1073515667 /nfs/dbraw/zinc/51/56/67/1073515667.db2.gz WDLIAZFCVAZMNX-VIFPVBQESA-N 1 2 407.106 1.745 20 0 HDADLO CC1(C)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000673649005 1073547285 /nfs/dbraw/zinc/54/72/85/1073547285.db2.gz DROKLWSGMDLLAP-UHFFFAOYSA-N 1 2 412.412 1.680 20 0 HDADLO CCOC1CC(CNC(=O)NCc2ccc(OCC3CC3)nc2)([NH+]2CCOCC2)C1 ZINC000429102558 1073583189 /nfs/dbraw/zinc/58/31/89/1073583189.db2.gz JMKTVEYUQUJDOV-UHFFFAOYSA-N 1 2 418.538 1.940 20 0 HDADLO O=C(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)Nc1ccc(-n2cccn2)cc1 ZINC000673656914 1073590691 /nfs/dbraw/zinc/59/06/91/1073590691.db2.gz QUDIAOAPJBAPGV-FQEVSTJZSA-N 1 2 404.474 1.987 20 0 HDADLO O=C(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)Nc1ccc(-n2cccn2)cc1 ZINC000673656914 1073590708 /nfs/dbraw/zinc/59/07/08/1073590708.db2.gz QUDIAOAPJBAPGV-FQEVSTJZSA-N 1 2 404.474 1.987 20 0 HDADLO Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000028178099 1073603835 /nfs/dbraw/zinc/60/38/35/1073603835.db2.gz NWAJRXIFHKKXET-QGZVFWFLSA-N 1 2 407.522 1.541 20 0 HDADLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000028178164 1073603879 /nfs/dbraw/zinc/60/38/79/1073603879.db2.gz QIQKAVJBFZGHSO-QGZVFWFLSA-N 1 2 407.522 1.841 20 0 HDADLO O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673659010 1073611293 /nfs/dbraw/zinc/61/12/93/1073611293.db2.gz GJSQUGVADJYWIO-LPHOPBHVSA-N 1 2 422.489 1.596 20 0 HDADLO Cc1noc(C(F)F)c1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000673668754 1073623257 /nfs/dbraw/zinc/62/32/57/1073623257.db2.gz IVKCPNPWZSXUQZ-ZDUSSCGKSA-N 1 2 422.436 1.946 20 0 HDADLO Cc1noc(C(F)F)c1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000673668754 1073623259 /nfs/dbraw/zinc/62/32/59/1073623259.db2.gz IVKCPNPWZSXUQZ-ZDUSSCGKSA-N 1 2 422.436 1.946 20 0 HDADLO O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673672474 1073626922 /nfs/dbraw/zinc/62/69/22/1073626922.db2.gz ICOQYMUFYQWJDW-FGZHOGPDSA-N 1 2 400.567 1.564 20 0 HDADLO O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673672474 1073626923 /nfs/dbraw/zinc/62/69/23/1073626923.db2.gz ICOQYMUFYQWJDW-FGZHOGPDSA-N 1 2 400.567 1.564 20 0 HDADLO Cc1cccn2cc(CCNC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)[nH+]c12 ZINC000673746854 1073682078 /nfs/dbraw/zinc/68/20/78/1073682078.db2.gz IGTDTVAGKYBQFU-AWEZNQCLSA-N 1 2 404.467 1.808 20 0 HDADLO O=C(NCCOc1ccc(I)cc1)NCCn1cc[nH+]c1 ZINC000509132730 1073694245 /nfs/dbraw/zinc/69/42/45/1073694245.db2.gz SIEDSMODDCOYJK-UHFFFAOYSA-N 1 2 400.220 1.866 20 0 HDADLO Cn1cc(C[C@@H]2CCN(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000673760266 1073700163 /nfs/dbraw/zinc/70/01/63/1073700163.db2.gz UMFMBWBSOLUVHH-KRWDZBQOSA-N 1 2 410.522 1.904 20 0 HDADLO O=C(Nc1cccc(COCC2CC2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781710 1073717315 /nfs/dbraw/zinc/71/73/15/1073717315.db2.gz FPIJRIPLMNWSSS-FQEVSTJZSA-N 1 2 401.507 1.875 20 0 HDADLO CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673781786 1073720522 /nfs/dbraw/zinc/72/05/22/1073720522.db2.gz IEJHGNHPLAJRMU-LJQANCHMSA-N 1 2 416.522 1.430 20 0 HDADLO O=C(Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781773 1073720567 /nfs/dbraw/zinc/72/05/67/1073720567.db2.gz HRWJYRNHGSMHEB-AWEZNQCLSA-N 1 2 416.400 1.284 20 0 HDADLO CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673783339 1073721652 /nfs/dbraw/zinc/72/16/52/1073721652.db2.gz SVWHVLPINBFVEQ-IBGZPJMESA-N 1 2 416.522 1.334 20 0 HDADLO O=C(Nc1ccccc1OC(F)(F)F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783021 1073722520 /nfs/dbraw/zinc/72/25/20/1073722520.db2.gz DTALKEHAPKTNPP-ZDUSSCGKSA-N 1 2 401.385 1.847 20 0 HDADLO O=C(Nc1ccc(-n2cccn2)c(F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784283 1073725010 /nfs/dbraw/zinc/72/50/10/1073725010.db2.gz YQSRJACWKSBONX-MRXNPFEDSA-N 1 2 401.442 1.273 20 0 HDADLO COCCCOc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784762 1073726367 /nfs/dbraw/zinc/72/63/67/1073726367.db2.gz KBZCNPIUTDTPFE-KRWDZBQOSA-N 1 2 405.495 1.364 20 0 HDADLO CCOc1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)O[C@H](C)C2 ZINC000673785679 1073726968 /nfs/dbraw/zinc/72/69/68/1073726968.db2.gz XFHLADPSEMJKQD-WBVHZDCISA-N 1 2 417.506 1.670 20 0 HDADLO O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785160 1073729310 /nfs/dbraw/zinc/72/93/10/1073729310.db2.gz ONDIJKAFJVNMEX-CYBMUJFWSA-N 1 2 401.385 1.689 20 0 HDADLO O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785800 1073730628 /nfs/dbraw/zinc/73/06/28/1073730628.db2.gz ZTRYTJFWDGBMKE-KRWDZBQOSA-N 1 2 401.511 1.334 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)[nH+]c12 ZINC000673777275 1073733557 /nfs/dbraw/zinc/73/35/57/1073733557.db2.gz NFXSPFFJVVEODG-QGZVFWFLSA-N 1 2 407.540 1.689 20 0 HDADLO CNC(=O)c1cc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)ccc1Cl ZINC000673787334 1073740139 /nfs/dbraw/zinc/74/01/39/1073740139.db2.gz PSBNQTVQJLFDIL-UHFFFAOYSA-N 1 2 413.865 1.953 20 0 HDADLO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673787874 1073742936 /nfs/dbraw/zinc/74/29/36/1073742936.db2.gz YZDPUWFLAFWIOL-UHFFFAOYSA-N 1 2 409.446 1.907 20 0 HDADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673824547 1073768419 /nfs/dbraw/zinc/76/84/19/1073768419.db2.gz MSVFVHNHUVMIED-UHFFFAOYSA-N 1 2 408.505 1.072 20 0 HDADLO CN1C(=O)CC[C@H]1C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000483704540 1073782277 /nfs/dbraw/zinc/78/22/77/1073782277.db2.gz FGIMJDPXJJKSPM-IBGZPJMESA-N 1 2 411.481 1.784 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)c2)CC1 ZINC000057055254 1073786127 /nfs/dbraw/zinc/78/61/27/1073786127.db2.gz AHUAXGMDIUYIIT-IBGZPJMESA-N 1 2 407.518 1.816 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429156107 1073803355 /nfs/dbraw/zinc/80/33/55/1073803355.db2.gz DSMYKWBIBJTFMZ-UHFFFAOYSA-N 1 2 410.522 1.981 20 0 HDADLO O=C(NCc1csc(-c2ccco2)n1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673857026 1073825425 /nfs/dbraw/zinc/82/54/25/1073825425.db2.gz UZYSQKLOEPYZNC-OAHLLOKOSA-N 1 2 404.492 1.343 20 0 HDADLO COc1ccc2c(c1)OCC[C@H]2NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872231 1073838667 /nfs/dbraw/zinc/83/86/67/1073838667.db2.gz LUQNLEFSTMFQRH-GOSISDBHSA-N 1 2 401.467 1.869 20 0 HDADLO Cc1cccn2cc(CCNC(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)[nH+]c12 ZINC000673873315 1073839437 /nfs/dbraw/zinc/83/94/37/1073839437.db2.gz LRLLHIZVPHFTAW-UHFFFAOYSA-N 1 2 411.466 1.062 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000766040308 1073867790 /nfs/dbraw/zinc/86/77/90/1073867790.db2.gz PPVZTOWITZLLBX-SJLPKXTDSA-N 1 2 420.897 1.970 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000766040308 1073867795 /nfs/dbraw/zinc/86/77/95/1073867795.db2.gz PPVZTOWITZLLBX-SJLPKXTDSA-N 1 2 420.897 1.970 20 0 HDADLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000543504402 1073890351 /nfs/dbraw/zinc/89/03/51/1073890351.db2.gz CAJJBJUAZCQUSZ-STQMWFEESA-N 1 2 410.565 1.751 20 0 HDADLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000543509172 1073914509 /nfs/dbraw/zinc/91/45/09/1073914509.db2.gz IKKXOASZZSALIV-AWEZNQCLSA-N 1 2 424.548 1.762 20 0 HDADLO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C(=O)N1CCC[C@@H](O)C1 ZINC000670431474 1073926781 /nfs/dbraw/zinc/92/67/81/1073926781.db2.gz ZKGKJWOZLRBAHF-RTBURBONSA-N 1 2 413.543 1.947 20 0 HDADLO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C(=O)N1CCC[C@@H](O)C1 ZINC000670431474 1073926783 /nfs/dbraw/zinc/92/67/83/1073926783.db2.gz ZKGKJWOZLRBAHF-RTBURBONSA-N 1 2 413.543 1.947 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766044035 1073950488 /nfs/dbraw/zinc/95/04/88/1073950488.db2.gz YOEUPXFBOFAFKO-INIZCTEOSA-N 1 2 405.561 1.275 20 0 HDADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000543517564 1073970618 /nfs/dbraw/zinc/97/06/18/1073970618.db2.gz VDMINLLMHCTMLB-KSSFIOAISA-N 1 2 420.473 1.762 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC=CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001005040740 1073972787 /nfs/dbraw/zinc/97/27/87/1073972787.db2.gz NPUZQLFLJNIAGD-UEDWAMCQSA-N 1 2 403.523 1.081 20 0 HDADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000484425392 1073999821 /nfs/dbraw/zinc/99/98/21/1073999821.db2.gz SQMQEKJXORGQAF-UHFFFAOYSA-N 1 2 413.902 1.066 20 0 HDADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000484425392 1073999823 /nfs/dbraw/zinc/99/98/23/1073999823.db2.gz SQMQEKJXORGQAF-UHFFFAOYSA-N 1 2 413.902 1.066 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCCC[NH+]3CCC(C)CC3)s[nH]2)c1 ZINC000543534900 1074036886 /nfs/dbraw/zinc/03/68/86/1074036886.db2.gz YLKVYLRVDCPGCG-UHFFFAOYSA-N 1 2 417.535 1.812 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000509194198 1074043418 /nfs/dbraw/zinc/04/34/18/1074043418.db2.gz FLMBVJRLRDLMEU-HUUCEWRRSA-N 1 2 403.570 1.430 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000509194198 1074043429 /nfs/dbraw/zinc/04/34/29/1074043429.db2.gz FLMBVJRLRDLMEU-HUUCEWRRSA-N 1 2 403.570 1.430 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN[C@H](C)c3nnc(C)o3)CC2)cc1OC ZINC000543543369 1074050733 /nfs/dbraw/zinc/05/07/33/1074050733.db2.gz KSCNGWBFVWZDBT-OAHLLOKOSA-N 1 2 417.510 1.699 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN[C@@H](C)c3nnc(C)o3)CC2)cc1OC ZINC000543543368 1074050861 /nfs/dbraw/zinc/05/08/61/1074050861.db2.gz KSCNGWBFVWZDBT-HNNXBMFYSA-N 1 2 417.510 1.699 20 0 HDADLO COc1ccccc1-c1noc([C@@H](C)NCC(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000543540692 1074055358 /nfs/dbraw/zinc/05/53/58/1074055358.db2.gz FKTHCVYAMHNWFR-OAHLLOKOSA-N 1 2 417.510 1.623 20 0 HDADLO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1 ZINC000543554054 1074076549 /nfs/dbraw/zinc/07/65/49/1074076549.db2.gz XVELFYZJHIDBHK-ZDUSSCGKSA-N 1 2 403.508 1.374 20 0 HDADLO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1 ZINC000543554054 1074076559 /nfs/dbraw/zinc/07/65/59/1074076559.db2.gz XVELFYZJHIDBHK-ZDUSSCGKSA-N 1 2 403.508 1.374 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000674023838 1074081162 /nfs/dbraw/zinc/08/11/62/1074081162.db2.gz LXJPUALUCKZEDR-KRWDZBQOSA-N 1 2 402.582 1.823 20 0 HDADLO O=C(N[C@H]1CNC(=O)C1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000543567506 1074120209 /nfs/dbraw/zinc/12/02/09/1074120209.db2.gz SOWDBZWNKLOVHR-QGZVFWFLSA-N 1 2 413.909 1.676 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)CSc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000543565979 1074128259 /nfs/dbraw/zinc/12/82/59/1074128259.db2.gz GVHHXNWSZGPVGF-CQSZACIVSA-N 1 2 404.492 1.925 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)CSc2nc(-c3ccccc3)no2)C[C@H]1C ZINC000543565979 1074128264 /nfs/dbraw/zinc/12/82/64/1074128264.db2.gz GVHHXNWSZGPVGF-CQSZACIVSA-N 1 2 404.492 1.925 20 0 HDADLO CC[C@@H](C)[C@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)C(=O)OC ZINC000032489571 1074169081 /nfs/dbraw/zinc/16/90/81/1074169081.db2.gz NRHDQGOPTBQMHR-IERDGZPVSA-N 1 2 419.522 1.279 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000674198048 1074211962 /nfs/dbraw/zinc/21/19/62/1074211962.db2.gz ISVOEHCWHMUMHP-LJQANCHMSA-N 1 2 424.549 1.892 20 0 HDADLO O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202586 1074218116 /nfs/dbraw/zinc/21/81/16/1074218116.db2.gz TXZAVGXVQUVXID-MSOLQXFVSA-N 1 2 411.462 1.803 20 0 HDADLO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674203481 1074218899 /nfs/dbraw/zinc/21/88/99/1074218899.db2.gz NDEICYRDPUPBKN-KRWDZBQOSA-N 1 2 419.507 1.837 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCc3c2cccc3O)CC1 ZINC000674203326 1074219204 /nfs/dbraw/zinc/21/92/04/1074219204.db2.gz JPTVLRLKLBTLCB-IBGZPJMESA-N 1 2 422.485 1.522 20 0 HDADLO O=C(Nc1cc(N2CCNC2=O)ccc1Cl)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674205128 1074219282 /nfs/dbraw/zinc/21/92/82/1074219282.db2.gz YIGPBDHVEPCQHQ-CQSZACIVSA-N 1 2 416.869 1.868 20 0 HDADLO CNC(=O)Cc1noc(C[NH+]2CCC(c3c(OC)cc(OC)cc3OC)CC2)n1 ZINC000674230283 1074236890 /nfs/dbraw/zinc/23/68/90/1074236890.db2.gz VTHWXMRRFQXAMA-UHFFFAOYSA-N 1 2 404.467 1.764 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000674298607 1074263286 /nfs/dbraw/zinc/26/32/86/1074263286.db2.gz TUJKBQIURADMRN-BHIYHBOVSA-N 1 2 400.523 1.840 20 0 HDADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)C1Cc2ccccc2C1 ZINC000674344441 1074288360 /nfs/dbraw/zinc/28/83/60/1074288360.db2.gz VUMZQNVKSWZPAK-KRWDZBQOSA-N 1 2 400.548 1.679 20 0 HDADLO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000674360443 1074292790 /nfs/dbraw/zinc/29/27/90/1074292790.db2.gz PQVSGUJHESBESV-QGZVFWFLSA-N 1 2 407.486 1.320 20 0 HDADLO Cc1cc(Br)ccc1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674397729 1074310557 /nfs/dbraw/zinc/31/05/57/1074310557.db2.gz MLOMZCZWFDOAKI-MRXNPFEDSA-N 1 2 400.317 1.592 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1=O ZINC000674424426 1074327852 /nfs/dbraw/zinc/32/78/52/1074327852.db2.gz QRPFFEDFLHHZNU-UWJYYQICSA-N 1 2 410.478 1.451 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1=O ZINC000674424425 1074327918 /nfs/dbraw/zinc/32/79/18/1074327918.db2.gz QRPFFEDFLHHZNU-UTKZUKDTSA-N 1 2 410.478 1.451 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)Cc3ccc4cc(OC)ccc4c3)CCN2C1=O ZINC000674467188 1074365034 /nfs/dbraw/zinc/36/50/34/1074365034.db2.gz BNADYXFBGKWHIF-HXUWFJFHSA-N 1 2 424.501 1.775 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)Cc3ccc4cc(OC)ccc4c3)CCN2C1=O ZINC000674467188 1074365040 /nfs/dbraw/zinc/36/50/40/1074365040.db2.gz BNADYXFBGKWHIF-HXUWFJFHSA-N 1 2 424.501 1.775 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CCN2C1=O ZINC000674469250 1074366374 /nfs/dbraw/zinc/36/63/74/1074366374.db2.gz CZJFQSWZHIOBPR-GOSISDBHSA-N 1 2 416.497 1.722 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CCN2C1=O ZINC000674469250 1074366379 /nfs/dbraw/zinc/36/63/79/1074366379.db2.gz CZJFQSWZHIOBPR-GOSISDBHSA-N 1 2 416.497 1.722 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000674470407 1074369771 /nfs/dbraw/zinc/36/97/71/1074369771.db2.gz VGAXVDPMSSBGBZ-OAHLLOKOSA-N 1 2 413.305 1.920 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000674470407 1074369775 /nfs/dbraw/zinc/36/97/75/1074369775.db2.gz VGAXVDPMSSBGBZ-OAHLLOKOSA-N 1 2 413.305 1.920 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCOc3ccc(C(C)C)cc3)CCN2C1=O ZINC000674500400 1074392684 /nfs/dbraw/zinc/39/26/84/1074392684.db2.gz BBGYXFWCCMWHBT-GOSISDBHSA-N 1 2 402.495 1.273 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCOc3ccc(C(C)C)cc3)CCN2C1=O ZINC000674500400 1074392694 /nfs/dbraw/zinc/39/26/94/1074392694.db2.gz BBGYXFWCCMWHBT-GOSISDBHSA-N 1 2 402.495 1.273 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674500783 1074394854 /nfs/dbraw/zinc/39/48/54/1074394854.db2.gz GBFMFQMVLIBKME-SMDDNHRTSA-N 1 2 409.284 1.744 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674500783 1074394861 /nfs/dbraw/zinc/39/48/61/1074394861.db2.gz GBFMFQMVLIBKME-SMDDNHRTSA-N 1 2 409.284 1.744 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3ccccc3OC3CCCC3)CCN2C1=O ZINC000674500850 1074394903 /nfs/dbraw/zinc/39/49/03/1074394903.db2.gz HOOIAMWXXWTHCK-SFHVURJKSA-N 1 2 414.506 1.593 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3ccccc3OC3CCCC3)CCN2C1=O ZINC000674500850 1074394909 /nfs/dbraw/zinc/39/49/09/1074394909.db2.gz HOOIAMWXXWTHCK-SFHVURJKSA-N 1 2 414.506 1.593 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)CCN2C1=O ZINC000674500513 1074395839 /nfs/dbraw/zinc/39/58/39/1074395839.db2.gz AKBSOUCPCCVRLR-GOSISDBHSA-N 1 2 400.523 1.611 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)CCN2C1=O ZINC000674500513 1074395844 /nfs/dbraw/zinc/39/58/44/1074395844.db2.gz AKBSOUCPCCVRLR-GOSISDBHSA-N 1 2 400.523 1.611 20 0 HDADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674494798 1074404642 /nfs/dbraw/zinc/40/46/42/1074404642.db2.gz CEYQHCPCLPEBQJ-HNNXBMFYSA-N 1 2 417.959 1.533 20 0 HDADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674494798 1074404644 /nfs/dbraw/zinc/40/46/44/1074404644.db2.gz CEYQHCPCLPEBQJ-HNNXBMFYSA-N 1 2 417.959 1.533 20 0 HDADLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496062 1074406444 /nfs/dbraw/zinc/40/64/44/1074406444.db2.gz QUEKYSZVOFSLEU-JQVVWYNYSA-N 1 2 409.486 1.800 20 0 HDADLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496062 1074406449 /nfs/dbraw/zinc/40/64/49/1074406449.db2.gz QUEKYSZVOFSLEU-JQVVWYNYSA-N 1 2 409.486 1.800 20 0 HDADLO COc1ccc(C(NC(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c2ccc(OC)cc2)cc1 ZINC000674496647 1074407862 /nfs/dbraw/zinc/40/78/62/1074407862.db2.gz CBDBAMRCJILPMO-HDICACEKSA-N 1 2 400.475 1.337 20 0 HDADLO COc1ccc(C(NC(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c2ccc(OC)cc2)cc1 ZINC000674496647 1074407867 /nfs/dbraw/zinc/40/78/67/1074407867.db2.gz CBDBAMRCJILPMO-HDICACEKSA-N 1 2 400.475 1.337 20 0 HDADLO O=C(NCc1c(F)c(F)cc(F)c1F)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000674544664 1074426715 /nfs/dbraw/zinc/42/67/15/1074426715.db2.gz IXKNPRSKTFFMGI-NSHDSACASA-N 1 2 403.376 1.040 20 0 HDADLO CCn1nc2c(cc1=O)CN(C(=O)NCc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000674609510 1074477796 /nfs/dbraw/zinc/47/77/96/1074477796.db2.gz VIISFVYPXDQRKJ-UHFFFAOYSA-N 1 2 411.506 1.363 20 0 HDADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1noc(-c2ccccc2)n1 ZINC000674614365 1074484267 /nfs/dbraw/zinc/48/42/67/1074484267.db2.gz YMVUPLLGGNLQFW-WBVHZDCISA-N 1 2 413.478 1.237 20 0 HDADLO C[NH+]1CCN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000069131622 1074515565 /nfs/dbraw/zinc/51/55/65/1074515565.db2.gz YQVBLOOBNMUOHQ-UHFFFAOYSA-N 1 2 414.487 1.929 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1ccn(CC(F)F)n1)c1ccccc1 ZINC000674764439 1074557885 /nfs/dbraw/zinc/55/78/85/1074557885.db2.gz ZSMPMCRMIDWRCQ-AWEZNQCLSA-N 1 2 402.405 1.920 20 0 HDADLO Cn1cc(N2C[C@@H](C(=O)N(CCn3cc[nH+]c3)C3CCSCC3)CCC2=O)cn1 ZINC001128909716 1074663632 /nfs/dbraw/zinc/66/36/32/1074663632.db2.gz LOBIXAQZYTZYEK-INIZCTEOSA-N 1 2 416.551 1.784 20 0 HDADLO O=C(CSc1ccc2c(c1)OCCO2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521316999 1074666411 /nfs/dbraw/zinc/66/64/11/1074666411.db2.gz QCMLUJTUOZLRKG-UHFFFAOYSA-N 1 2 404.492 1.717 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1)[NH+]1CCOCC1 ZINC000674996778 1074672515 /nfs/dbraw/zinc/67/25/15/1074672515.db2.gz KLHXNGXPVCKCKO-LSTHTHJFSA-N 1 2 417.506 1.425 20 0 HDADLO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000429317196 1074716937 /nfs/dbraw/zinc/71/69/37/1074716937.db2.gz YDOWOJJSXFDJTH-CYBMUJFWSA-N 1 2 418.885 1.491 20 0 HDADLO COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)CC2 ZINC000675106381 1074721471 /nfs/dbraw/zinc/72/14/71/1074721471.db2.gz WBVDSUXQPPEBTI-SJORKVTESA-N 1 2 409.494 1.756 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](Cc3[nH+]ccn3C)c3ccccc3)CCN2C1=O ZINC000675106300 1074721940 /nfs/dbraw/zinc/72/19/40/1074721940.db2.gz RIPMXEPGJYDHID-IRXDYDNUSA-N 1 2 410.478 1.382 20 0 HDADLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000484206685 1074736199 /nfs/dbraw/zinc/73/61/99/1074736199.db2.gz DALIEYLMZILPAV-UHFFFAOYSA-N 1 2 413.869 1.932 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3ccccc3-n3cccn3)ccn2)CC1 ZINC000543615089 1074739024 /nfs/dbraw/zinc/73/90/24/1074739024.db2.gz QLNGBZGFIYORGF-UHFFFAOYSA-N 1 2 419.489 1.977 20 0 HDADLO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000675189472 1074752142 /nfs/dbraw/zinc/75/21/42/1074752142.db2.gz FKIPEKNDMNYSRV-RBUKOAKNSA-N 1 2 409.490 1.272 20 0 HDADLO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000675189470 1074752226 /nfs/dbraw/zinc/75/22/26/1074752226.db2.gz FKIPEKNDMNYSRV-MOPGFXCFSA-N 1 2 409.490 1.272 20 0 HDADLO COc1ccc(-n2cnnc2SCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000675218960 1074760066 /nfs/dbraw/zinc/76/00/66/1074760066.db2.gz OLAXHULCHLUKST-INIZCTEOSA-N 1 2 403.508 1.301 20 0 HDADLO CCc1ccccc1-n1cnnc1SCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218807 1074760110 /nfs/dbraw/zinc/76/01/10/1074760110.db2.gz BUIOQKHZKRPZFH-KRWDZBQOSA-N 1 2 401.536 1.855 20 0 HDADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C ZINC000675219068 1074760190 /nfs/dbraw/zinc/76/01/90/1074760190.db2.gz WDSWHMJXUNZEDV-GOSISDBHSA-N 1 2 409.552 1.572 20 0 HDADLO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219196 1074761424 /nfs/dbraw/zinc/76/14/24/1074761424.db2.gz FYPBFCGVAFUKQG-CQSZACIVSA-N 1 2 406.533 1.933 20 0 HDADLO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000675219945 1074761945 /nfs/dbraw/zinc/76/19/45/1074761945.db2.gz UFJPIGUPIIMYDN-QGZVFWFLSA-N 1 2 423.535 1.026 20 0 HDADLO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc2)CC1 ZINC000675219603 1074762426 /nfs/dbraw/zinc/76/24/26/1074762426.db2.gz FLWCPXHYGKLSRJ-LJQANCHMSA-N 1 2 421.563 1.654 20 0 HDADLO O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219470 1074762446 /nfs/dbraw/zinc/76/24/46/1074762446.db2.gz BZILKCASKVUOEV-MSOLQXFVSA-N 1 2 407.536 1.020 20 0 HDADLO CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(C[NH+]3CCCCC3)cs1)C2=O ZINC000036652191 1074765457 /nfs/dbraw/zinc/76/54/57/1074765457.db2.gz HAMFSXLXMXXEPO-UHFFFAOYSA-N 1 2 419.551 2.568 20 0 HDADLO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc21 ZINC000675267620 1074777134 /nfs/dbraw/zinc/77/71/34/1074777134.db2.gz WBIVNURHGFIXSI-HNAYVOBHSA-N 1 2 410.478 1.927 20 0 HDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675269265 1074777707 /nfs/dbraw/zinc/77/77/07/1074777707.db2.gz MRHUGZHQFBBXIL-QAPCUYQASA-N 1 2 405.524 1.725 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000675287675 1074781102 /nfs/dbraw/zinc/78/11/02/1074781102.db2.gz KGQVGGUBDKXFMY-AWEZNQCLSA-N 1 2 419.507 1.259 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000675287675 1074781107 /nfs/dbraw/zinc/78/11/07/1074781107.db2.gz KGQVGGUBDKXFMY-AWEZNQCLSA-N 1 2 419.507 1.259 20 0 HDADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675281810 1074786464 /nfs/dbraw/zinc/78/64/64/1074786464.db2.gz UGBDTLUBEGURSS-WMZOPIPTSA-N 1 2 421.925 1.886 20 0 HDADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000675281429 1074786858 /nfs/dbraw/zinc/78/68/58/1074786858.db2.gz QQAFKXFMNDAHRG-HKUYNNGSSA-N 1 2 409.552 1.231 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000675283240 1074787433 /nfs/dbraw/zinc/78/74/33/1074787433.db2.gz YBXQOZVYCRFBEO-UHFFFAOYSA-N 1 2 423.491 1.430 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000675283240 1074787441 /nfs/dbraw/zinc/78/74/41/1074787441.db2.gz YBXQOZVYCRFBEO-UHFFFAOYSA-N 1 2 423.491 1.430 20 0 HDADLO COc1ccc(C(=O)NCC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000675294081 1074789394 /nfs/dbraw/zinc/78/93/94/1074789394.db2.gz LSIRCPYPWUVFSS-UHFFFAOYSA-N 1 2 410.474 1.451 20 0 HDADLO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675296983 1074790732 /nfs/dbraw/zinc/79/07/32/1074790732.db2.gz SRIXJIOBDXRKRL-BBRMVZONSA-N 1 2 417.416 1.247 20 0 HDADLO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675326159 1074800009 /nfs/dbraw/zinc/80/00/09/1074800009.db2.gz KEVWOJBNMBSTAG-DLBZAZTESA-N 1 2 415.881 1.622 20 0 HDADLO COC(=O)c1ccc(CN(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438316997 1075090651 /nfs/dbraw/zinc/09/06/51/1075090651.db2.gz HQKZTMAKFSOECB-UHFFFAOYSA-N 1 2 401.467 1.666 20 0 HDADLO Cc1cc(N)nc(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)[nH+]1 ZINC000016116802 1075093660 /nfs/dbraw/zinc/09/36/60/1075093660.db2.gz VCNSMMXLUVOBSN-UHFFFAOYSA-N 1 2 421.548 1.689 20 0 HDADLO O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000550574368 1075103598 /nfs/dbraw/zinc/10/35/98/1075103598.db2.gz PDYJYVJBTNMKLW-GFCCVEGCSA-N 1 2 423.926 1.911 20 0 HDADLO Cc1cc(NC(=O)CN2CC[NH+](Cc3c(C)nn(-c4ccccn4)c3C)CC2)no1 ZINC000549385604 1075117358 /nfs/dbraw/zinc/11/73/58/1075117358.db2.gz OPUASTOQXKBBJL-UHFFFAOYSA-N 1 2 409.494 1.937 20 0 HDADLO C[C@H](c1ccccc1)n1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000675389547 1075122058 /nfs/dbraw/zinc/12/20/58/1075122058.db2.gz GOPUQTNSHWYGBH-MJGOQNOKSA-N 1 2 411.506 1.612 20 0 HDADLO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675400005 1075131413 /nfs/dbraw/zinc/13/14/13/1075131413.db2.gz VTCIEYYJOGDSCW-UHFFFAOYSA-N 1 2 419.478 1.441 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN3CCC(S(C)(=O)=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000675503813 1075186506 /nfs/dbraw/zinc/18/65/06/1075186506.db2.gz QESUSNPUUZQVRI-UHFFFAOYSA-N 1 2 423.583 1.066 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCN(c2ccccc2F)CC1 ZINC000554473653 1075186564 /nfs/dbraw/zinc/18/65/64/1075186564.db2.gz RHJFWWBVSYELMG-UHFFFAOYSA-N 1 2 416.501 2.099 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000499867344 1075187027 /nfs/dbraw/zinc/18/70/27/1075187027.db2.gz DMYNJKDOJHVOFZ-INIZCTEOSA-N 1 2 414.514 1.622 20 0 HDADLO Cc1nc2sccn2c(=O)c1CCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000509347602 1075195209 /nfs/dbraw/zinc/19/52/09/1075195209.db2.gz ATRLKTPMHCIRLN-INIZCTEOSA-N 1 2 403.552 1.235 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2nc3cc(Cl)ccn3n2)CC1 ZINC000554993956 1075196493 /nfs/dbraw/zinc/19/64/93/1075196493.db2.gz FJHHAOPAYPMBRG-UHFFFAOYSA-N 1 2 407.906 1.791 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2nc3cc(Cl)ccn3n2)CC1 ZINC000554993956 1075196495 /nfs/dbraw/zinc/19/64/95/1075196495.db2.gz FJHHAOPAYPMBRG-UHFFFAOYSA-N 1 2 407.906 1.791 20 0 HDADLO Cc1c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cnn1-c1ccc(F)cc1 ZINC000675541646 1075198144 /nfs/dbraw/zinc/19/81/44/1075198144.db2.gz YRUDQPNEONQQSD-IBGZPJMESA-N 1 2 402.470 1.883 20 0 HDADLO CCOc1ccc(Cl)cc1CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675583351 1075213061 /nfs/dbraw/zinc/21/30/61/1075213061.db2.gz SVWOQELEAKETEF-SFHVURJKSA-N 1 2 423.941 1.721 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(CNc2ccncn2)c1 ZINC000543522082 1075214136 /nfs/dbraw/zinc/21/41/36/1075214136.db2.gz KKLQVBPQSDDIBZ-UHFFFAOYSA-N 1 2 407.478 1.870 20 0 HDADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 ZINC000675597462 1075234470 /nfs/dbraw/zinc/23/44/70/1075234470.db2.gz ABZXHKKFEGBIQC-CQSZACIVSA-N 1 2 405.886 1.048 20 0 HDADLO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560193435 1075236665 /nfs/dbraw/zinc/23/66/65/1075236665.db2.gz WZVYUJYXKJOFKV-PBHICJAKSA-N 1 2 421.860 2.168 20 0 HDADLO CC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560193435 1075236670 /nfs/dbraw/zinc/23/66/70/1075236670.db2.gz WZVYUJYXKJOFKV-PBHICJAKSA-N 1 2 421.860 2.168 20 0 HDADLO Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)CO2 ZINC000675701489 1075255481 /nfs/dbraw/zinc/25/54/81/1075255481.db2.gz ORSLALNKCLQKKO-LJQANCHMSA-N 1 2 422.485 1.571 20 0 HDADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000509369960 1075274138 /nfs/dbraw/zinc/27/41/38/1075274138.db2.gz FEBRBZZKIINDQK-ROUUACIJSA-N 1 2 419.551 1.344 20 0 HDADLO O=S(=O)(CCNc1ccc2ccc(F)cc2n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000462925311 1075275423 /nfs/dbraw/zinc/27/54/23/1075275423.db2.gz LXWWIYDBSAFWMD-UHFFFAOYSA-N 1 2 415.494 2.333 20 0 HDADLO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)CC2)CC1 ZINC000509371021 1075281905 /nfs/dbraw/zinc/28/19/05/1075281905.db2.gz ISRMWIMSQZLEPV-UHFFFAOYSA-N 1 2 422.595 1.400 20 0 HDADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000543650614 1075284062 /nfs/dbraw/zinc/28/40/62/1075284062.db2.gz LMTKYFVOGGLDLL-MRXNPFEDSA-N 1 2 401.960 1.776 20 0 HDADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000543650614 1075284066 /nfs/dbraw/zinc/28/40/66/1075284066.db2.gz LMTKYFVOGGLDLL-MRXNPFEDSA-N 1 2 401.960 1.776 20 0 HDADLO CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H]1n1cccn1 ZINC001129088986 1075284838 /nfs/dbraw/zinc/28/48/38/1075284838.db2.gz KHSYWVVJKMAARV-SPOLIRPYSA-N 1 2 406.527 1.376 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675889889 1075287117 /nfs/dbraw/zinc/28/71/17/1075287117.db2.gz AYMSVFMXVLPURD-KRWDZBQOSA-N 1 2 404.515 1.270 20 0 HDADLO Cc1ccc(NC(=O)CSCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000517508958 1075297113 /nfs/dbraw/zinc/29/71/13/1075297113.db2.gz SZDXJDDKPMSOKU-UHFFFAOYSA-N 1 2 417.535 1.834 20 0 HDADLO CCOc1cc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)nc2nc(C(F)(F)F)nn21 ZINC000675966313 1075311337 /nfs/dbraw/zinc/31/13/37/1075311337.db2.gz GVRJUQXSDFANJN-UHFFFAOYSA-N 1 2 423.399 1.677 20 0 HDADLO CCOc1cc(C[N@H+]2CCc3nn(CC)c(=O)cc3C2)nc2nc(C(F)(F)F)nn21 ZINC000675966313 1075311341 /nfs/dbraw/zinc/31/13/41/1075311341.db2.gz GVRJUQXSDFANJN-UHFFFAOYSA-N 1 2 423.399 1.677 20 0 HDADLO COc1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(OC)c(C)c1OC ZINC000434897798 1075325131 /nfs/dbraw/zinc/32/51/31/1075325131.db2.gz YXGCZLJCMLIFBR-UHFFFAOYSA-N 1 2 419.482 2.194 20 0 HDADLO CCN(CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000804257183 1075335393 /nfs/dbraw/zinc/33/53/93/1075335393.db2.gz WMVBRWUPVSBQTP-OAHLLOKOSA-N 1 2 405.499 1.150 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000731446186 1075342464 /nfs/dbraw/zinc/34/24/64/1075342464.db2.gz YKGYXKWFISOYSQ-AWEZNQCLSA-N 1 2 414.466 1.281 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000731446186 1075342469 /nfs/dbraw/zinc/34/24/69/1075342469.db2.gz YKGYXKWFISOYSQ-AWEZNQCLSA-N 1 2 414.466 1.281 20 0 HDADLO COc1ccc(C(=O)CCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1F ZINC000434009458 1075355349 /nfs/dbraw/zinc/35/53/49/1075355349.db2.gz YOEBCQJTDDUXPI-UHFFFAOYSA-N 1 2 404.442 1.965 20 0 HDADLO CCCn1c2ccccc2nc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509384069 1075365002 /nfs/dbraw/zinc/36/50/02/1075365002.db2.gz DNACBZJNMQFBQQ-UHFFFAOYSA-N 1 2 420.583 1.056 20 0 HDADLO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000509384939 1075372528 /nfs/dbraw/zinc/37/25/28/1075372528.db2.gz IPMZHFTYQDUEDK-UHFFFAOYSA-N 1 2 408.568 1.010 20 0 HDADLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731531272 1075376678 /nfs/dbraw/zinc/37/66/78/1075376678.db2.gz ONIKBEWMLPEOSP-HNNXBMFYSA-N 1 2 407.430 1.645 20 0 HDADLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731531272 1075376685 /nfs/dbraw/zinc/37/66/85/1075376685.db2.gz ONIKBEWMLPEOSP-HNNXBMFYSA-N 1 2 407.430 1.645 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000804087125 1075378802 /nfs/dbraw/zinc/37/88/02/1075378802.db2.gz DANHWKVTLXGDMJ-HOTGVXAUSA-N 1 2 415.494 1.903 20 0 HDADLO CCS(=O)(=O)NC1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000543540101 1075391868 /nfs/dbraw/zinc/39/18/68/1075391868.db2.gz YOTITSNLRKJPRG-UHFFFAOYSA-N 1 2 417.535 1.941 20 0 HDADLO Cc1nc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nn1-c1ccccc1 ZINC000731604192 1075409352 /nfs/dbraw/zinc/40/93/52/1075409352.db2.gz HXIVNEBPGYAGGR-UHFFFAOYSA-N 1 2 403.450 1.215 20 0 HDADLO CC[C@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCCC1 ZINC000804115954 1075413885 /nfs/dbraw/zinc/41/38/85/1075413885.db2.gz DFKHTDSTWJZQQX-KRWDZBQOSA-N 1 2 401.573 1.087 20 0 HDADLO COc1cc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1SC ZINC000509387021 1075414645 /nfs/dbraw/zinc/41/46/45/1075414645.db2.gz NEMGOMCYHNNERR-UHFFFAOYSA-N 1 2 414.597 1.027 20 0 HDADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000543663460 1075420223 /nfs/dbraw/zinc/42/02/23/1075420223.db2.gz ORZVBTDSRCXHDI-HUUCEWRRSA-N 1 2 400.483 1.510 20 0 HDADLO Cc1ccccc1C1(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCOCC1 ZINC000731648397 1075426766 /nfs/dbraw/zinc/42/67/66/1075426766.db2.gz NNVGAWGXEVXTLX-UHFFFAOYSA-N 1 2 408.564 1.668 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2cccc(Br)c2)CC1 ZINC000731649093 1075428983 /nfs/dbraw/zinc/42/89/83/1075428983.db2.gz YDKVSCCFTKISAF-UHFFFAOYSA-N 1 2 403.342 1.617 20 0 HDADLO Cc1nc(COc2ccccc2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)no1 ZINC000731650910 1075434431 /nfs/dbraw/zinc/43/44/31/1075434431.db2.gz QNURCANTUMUJJF-UHFFFAOYSA-N 1 2 422.507 1.196 20 0 HDADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cn2c(-c3ccccn3)csc2=O)CC1 ZINC000731656835 1075440383 /nfs/dbraw/zinc/44/03/83/1075440383.db2.gz IVYWOOIIMDXKQS-KRWDZBQOSA-N 1 2 415.563 1.948 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(OC3CCCC3)CC2)CC1 ZINC000731686181 1075447508 /nfs/dbraw/zinc/44/75/08/1075447508.db2.gz MVZAQNHROUFWKU-UHFFFAOYSA-N 1 2 401.573 1.629 20 0 HDADLO CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Nc1ccccc1 ZINC000731686699 1075450262 /nfs/dbraw/zinc/45/02/62/1075450262.db2.gz LHXULYUOCYZQNA-LJQANCHMSA-N 1 2 410.584 1.931 20 0 HDADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000731672334 1075456284 /nfs/dbraw/zinc/45/62/84/1075456284.db2.gz OUGHMFDZBYDLBW-DSQDWWTGSA-N 1 2 413.540 1.908 20 0 HDADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000731672334 1075456287 /nfs/dbraw/zinc/45/62/87/1075456287.db2.gz OUGHMFDZBYDLBW-DSQDWWTGSA-N 1 2 413.540 1.908 20 0 HDADLO CCN(CC)c1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cn1 ZINC000731681547 1075464622 /nfs/dbraw/zinc/46/46/22/1075464622.db2.gz VACOSHJXFKCIDN-UHFFFAOYSA-N 1 2 411.572 1.236 20 0 HDADLO CCN(CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1C ZINC000731681843 1075465098 /nfs/dbraw/zinc/46/50/98/1075465098.db2.gz JHCZVOMPRBHQNQ-UHFFFAOYSA-N 1 2 410.584 1.630 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccnc(OC3CCCC3)c2)CC1 ZINC000731682181 1075465117 /nfs/dbraw/zinc/46/51/17/1075465117.db2.gz HIMRXGIVVUOAFW-UHFFFAOYSA-N 1 2 424.567 1.711 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000731682099 1075465140 /nfs/dbraw/zinc/46/51/40/1075465140.db2.gz LOZLOVIMUVJNGC-UHFFFAOYSA-N 1 2 423.579 1.543 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(OCC(F)F)c2)CC1 ZINC000731682586 1075466992 /nfs/dbraw/zinc/46/69/92/1075466992.db2.gz CIFIRERJOAUBAY-UHFFFAOYSA-N 1 2 419.494 1.639 20 0 HDADLO Cc1cccc(C)c1OC[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731684251 1075467444 /nfs/dbraw/zinc/46/74/44/1075467444.db2.gz UFWUERYKYUMXPL-QGZVFWFLSA-N 1 2 411.568 1.879 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](CO)[C@H](C)c1ccccc1 ZINC000676274556 1075475339 /nfs/dbraw/zinc/47/53/39/1075475339.db2.gz HSEZQNUNTXKAIC-DNVCBOLYSA-N 1 2 412.490 1.446 20 0 HDADLO CC[C@H](C(=O)OC)N1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000552944960 1075482980 /nfs/dbraw/zinc/48/29/80/1075482980.db2.gz HDJWIPIBBWVMTJ-LJQANCHMSA-N 1 2 411.506 2.107 20 0 HDADLO Cc1nc(-c2cccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2)no1 ZINC000731752721 1075510230 /nfs/dbraw/zinc/51/02/30/1075510230.db2.gz NFBUPGKOWDXKTJ-UHFFFAOYSA-N 1 2 407.496 1.676 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000731753754 1075511159 /nfs/dbraw/zinc/51/11/59/1075511159.db2.gz AUOKOCXSJMTWHM-UHFFFAOYSA-N 1 2 415.566 1.897 20 0 HDADLO CNC(=O)c1ccc(Cl)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731753687 1075511185 /nfs/dbraw/zinc/51/11/85/1075511185.db2.gz PITRLXSUFCNCAP-UHFFFAOYSA-N 1 2 416.931 1.330 20 0 HDADLO O=C(c1ccc2n[nH]cc2c1)N1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676341113 1075513700 /nfs/dbraw/zinc/51/37/00/1075513700.db2.gz OBGPAWPYTVEBJC-HKUYNNGSSA-N 1 2 411.506 1.348 20 0 HDADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2)C1 ZINC000676340590 1075513969 /nfs/dbraw/zinc/51/39/69/1075513969.db2.gz BTIUQMUUSBQICI-HKUYNNGSSA-N 1 2 421.563 1.654 20 0 HDADLO O=C([C@H]1CCCN(c2ncnc3sccc32)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340660 1075514329 /nfs/dbraw/zinc/51/43/29/1075514329.db2.gz CEQRPPSCTFSPFL-JKSUJKDBSA-N 1 2 401.536 1.841 20 0 HDADLO COc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2cccnc12 ZINC000731760834 1075515717 /nfs/dbraw/zinc/51/57/17/1075515717.db2.gz CASZEAQNHXKOHF-UHFFFAOYSA-N 1 2 406.508 1.874 20 0 HDADLO C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@H]1C[N@H+](C)CCO1 ZINC000676348686 1075520683 /nfs/dbraw/zinc/52/06/83/1075520683.db2.gz RAHASIPGDMQFNU-CWFSZBLJSA-N 1 2 411.502 1.985 20 0 HDADLO C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@H]1C[N@@H+](C)CCO1 ZINC000676348686 1075520692 /nfs/dbraw/zinc/52/06/92/1075520692.db2.gz RAHASIPGDMQFNU-CWFSZBLJSA-N 1 2 411.502 1.985 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC(N(C)S(C)(=O)=O)CC3)c2)cc[nH+]1 ZINC000543537778 1075535419 /nfs/dbraw/zinc/53/54/19/1075535419.db2.gz WFCCITCLBPKFDX-UHFFFAOYSA-N 1 2 417.535 1.893 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](S(=O)(=O)N(C)C)C3)c2)cc[nH+]1 ZINC000552691573 1075536109 /nfs/dbraw/zinc/53/61/09/1075536109.db2.gz SAWRCHSXXPOVAE-SFHVURJKSA-N 1 2 417.535 1.893 20 0 HDADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429435310 1075549419 /nfs/dbraw/zinc/54/94/19/1075549419.db2.gz UCABTSLLTMZIGM-ZDUSSCGKSA-N 1 2 407.496 1.669 20 0 HDADLO Cc1nn(C)c2nc(C)c(CC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c(C)c12 ZINC000596033161 1075552874 /nfs/dbraw/zinc/55/28/74/1075552874.db2.gz JSDZSDHNZBVLJA-UHFFFAOYSA-N 1 2 411.510 1.603 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cc(-c4cccnc4)n[nH]3)c[nH+]2)CC1 ZINC000676495117 1075565273 /nfs/dbraw/zinc/56/52/73/1075565273.db2.gz IYSUGSKAMHMOOQ-UHFFFAOYSA-N 1 2 413.507 1.560 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cnn(-c2ccccc2)c1 ZINC000731965558 1075577964 /nfs/dbraw/zinc/57/79/64/1075577964.db2.gz MYCPQIBEYDHROE-FQEVSTJZSA-N 1 2 412.490 1.629 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)c1 ZINC000731966885 1075578982 /nfs/dbraw/zinc/57/89/82/1075578982.db2.gz SDELFSYDJACUQY-WKOQKXSESA-N 1 2 408.502 1.953 20 0 HDADLO C[C@@H]1COCCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000676541539 1075580432 /nfs/dbraw/zinc/58/04/32/1075580432.db2.gz SVJOEDLBWOLVGU-IAGOWNOFSA-N 1 2 404.515 1.102 20 0 HDADLO C[C@@H]1COCCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000676541539 1075580436 /nfs/dbraw/zinc/58/04/36/1075580436.db2.gz SVJOEDLBWOLVGU-IAGOWNOFSA-N 1 2 404.515 1.102 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cnn(Cc4ccccn4)c3)[nH+]c12 ZINC000676551112 1075584016 /nfs/dbraw/zinc/58/40/16/1075584016.db2.gz JUSHCFIGNGOVMS-UHFFFAOYSA-N 1 2 403.446 1.580 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000676550825 1075584485 /nfs/dbraw/zinc/58/44/85/1075584485.db2.gz CDJMKQUIJPQJMK-KRWDZBQOSA-N 1 2 401.442 1.267 20 0 HDADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676547334 1075592672 /nfs/dbraw/zinc/59/26/72/1075592672.db2.gz GSHVWVBFDJKWIG-UHFFFAOYSA-N 1 2 410.503 1.501 20 0 HDADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676547334 1075592680 /nfs/dbraw/zinc/59/26/80/1075592680.db2.gz GSHVWVBFDJKWIG-UHFFFAOYSA-N 1 2 410.503 1.501 20 0 HDADLO C[C@@H](O)C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000469692467 1075597131 /nfs/dbraw/zinc/59/71/31/1075597131.db2.gz TXVYSJUIOKXNPY-IEBWSBKVSA-N 1 2 401.511 1.892 20 0 HDADLO Cn1cc(-c2ccccc2CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000550812658 1075599138 /nfs/dbraw/zinc/59/91/38/1075599138.db2.gz MUKHBNKPDCTVTA-UHFFFAOYSA-N 1 2 409.494 1.938 20 0 HDADLO CSc1cccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000509426882 1075609074 /nfs/dbraw/zinc/60/90/74/1075609074.db2.gz WCAHDRQXQVFKGG-UHFFFAOYSA-N 1 2 407.565 1.689 20 0 HDADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)[NH+]1CCOCC1 ZINC000676615447 1075616726 /nfs/dbraw/zinc/61/67/26/1075616726.db2.gz QMSODHJGNACYQU-INIZCTEOSA-N 1 2 409.437 1.843 20 0 HDADLO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@@H](c4ccnc(N)n4)C3)nc(N)c21 ZINC000549161377 1075637607 /nfs/dbraw/zinc/63/76/07/1075637607.db2.gz GAMKAEODBJNCFC-GFCCVEGCSA-N 1 2 411.466 2.042 20 0 HDADLO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@@H](c4ccnc(N)n4)C3)nc(N)c21 ZINC000549161377 1075637613 /nfs/dbraw/zinc/63/76/13/1075637613.db2.gz GAMKAEODBJNCFC-GFCCVEGCSA-N 1 2 411.466 2.042 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(c3ccnn3CCO)CC2)n1 ZINC000506086563 1075640887 /nfs/dbraw/zinc/64/08/87/1075640887.db2.gz NPOOZEWALMYIAT-UHFFFAOYSA-N 1 2 424.509 1.196 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732166977 1075644182 /nfs/dbraw/zinc/64/41/82/1075644182.db2.gz STJPWFOGXABJNV-QGZVFWFLSA-N 1 2 400.479 1.189 20 0 HDADLO Cn1cc(/C=C\C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(=O)n(C)c1=O ZINC000732138895 1075646792 /nfs/dbraw/zinc/64/67/92/1075646792.db2.gz RKLRWEGLTMRFDB-CDNLZTBQSA-N 1 2 418.444 1.156 20 0 HDADLO Cn1cc(/C=C\C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(=O)n(C)c1=O ZINC000732138895 1075646796 /nfs/dbraw/zinc/64/67/96/1075646796.db2.gz RKLRWEGLTMRFDB-CDNLZTBQSA-N 1 2 418.444 1.156 20 0 HDADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000732149177 1075650305 /nfs/dbraw/zinc/65/03/05/1075650305.db2.gz MZNHGRWKEUIXEP-DBQGFPOUSA-N 1 2 415.534 1.544 20 0 HDADLO CCOC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000509431358 1075652358 /nfs/dbraw/zinc/65/23/58/1075652358.db2.gz NHCUAHHONMJJHK-CQSZACIVSA-N 1 2 400.497 1.119 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000732187590 1075653565 /nfs/dbraw/zinc/65/35/65/1075653565.db2.gz WWFGDFYBEGNHKQ-JTSKRJEESA-N 1 2 414.506 1.593 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000732187590 1075653567 /nfs/dbraw/zinc/65/35/67/1075653567.db2.gz WWFGDFYBEGNHKQ-JTSKRJEESA-N 1 2 414.506 1.593 20 0 HDADLO CCn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000732191164 1075656168 /nfs/dbraw/zinc/65/61/68/1075656168.db2.gz OFTPHWKSMPSKGW-MRXNPFEDSA-N 1 2 408.572 1.562 20 0 HDADLO CCn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000732191164 1075656170 /nfs/dbraw/zinc/65/61/70/1075656170.db2.gz OFTPHWKSMPSKGW-MRXNPFEDSA-N 1 2 408.572 1.562 20 0 HDADLO C[C@H]1COCCC[N@@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000676714217 1075657779 /nfs/dbraw/zinc/65/77/79/1075657779.db2.gz USFBDOYIRWPOBX-KRWDZBQOSA-N 1 2 421.563 1.861 20 0 HDADLO C[C@H]1COCCC[N@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000676714217 1075657788 /nfs/dbraw/zinc/65/77/88/1075657788.db2.gz USFBDOYIRWPOBX-KRWDZBQOSA-N 1 2 421.563 1.861 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000676740933 1075668064 /nfs/dbraw/zinc/66/80/64/1075668064.db2.gz PMVMHPLADBLDCF-MRXNPFEDSA-N 1 2 419.469 1.820 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000676740933 1075668069 /nfs/dbraw/zinc/66/80/69/1075668069.db2.gz PMVMHPLADBLDCF-MRXNPFEDSA-N 1 2 419.469 1.820 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)C1 ZINC000676737636 1075670599 /nfs/dbraw/zinc/67/05/99/1075670599.db2.gz CASGRQBVEPSXDC-MOPGFXCFSA-N 1 2 409.552 1.762 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)C1 ZINC000676737636 1075670602 /nfs/dbraw/zinc/67/06/02/1075670602.db2.gz CASGRQBVEPSXDC-MOPGFXCFSA-N 1 2 409.552 1.762 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@H](c4ccco4)C3)C2=O)cc1 ZINC000732205575 1075676502 /nfs/dbraw/zinc/67/65/02/1075676502.db2.gz JWDYGBORCHURAG-LHSJRXKWSA-N 1 2 412.446 1.576 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@H](c4ccco4)C3)C2=O)cc1 ZINC000732205575 1075676507 /nfs/dbraw/zinc/67/65/07/1075676507.db2.gz JWDYGBORCHURAG-LHSJRXKWSA-N 1 2 412.446 1.576 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@H](c4ccco4)C3)C2=O)c1 ZINC000732206003 1075676539 /nfs/dbraw/zinc/67/65/39/1075676539.db2.gz PUJQGSRHAIRSQK-LHSJRXKWSA-N 1 2 412.446 1.576 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@H](c4ccco4)C3)C2=O)c1 ZINC000732206003 1075676543 /nfs/dbraw/zinc/67/65/43/1075676543.db2.gz PUJQGSRHAIRSQK-LHSJRXKWSA-N 1 2 412.446 1.576 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000028028629 1075681555 /nfs/dbraw/zinc/68/15/55/1075681555.db2.gz ZQAHBAZHOGCJIA-UHFFFAOYSA-N 1 2 409.552 1.319 20 0 HDADLO O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672157297 1075681587 /nfs/dbraw/zinc/68/15/87/1075681587.db2.gz ZUUJAWCIWNYSDV-LBPRGKRZSA-N 1 2 402.252 1.487 20 0 HDADLO CCCCNc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000553102579 1075691131 /nfs/dbraw/zinc/69/11/31/1075691131.db2.gz VGILHDFWPZTZDK-UHFFFAOYSA-N 1 2 418.567 2.099 20 0 HDADLO CCCCNc1cc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH+]c(N)n1 ZINC000553102579 1075691133 /nfs/dbraw/zinc/69/11/33/1075691133.db2.gz VGILHDFWPZTZDK-UHFFFAOYSA-N 1 2 418.567 2.099 20 0 HDADLO CCCCNc1cc(N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)nc(N)[nH+]1 ZINC000552901009 1075693404 /nfs/dbraw/zinc/69/34/04/1075693404.db2.gz PXXBXYPTIXBJBT-UHFFFAOYSA-N 1 2 423.543 1.777 20 0 HDADLO CCCCNc1cc(N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)[nH+]c(N)n1 ZINC000552901009 1075693406 /nfs/dbraw/zinc/69/34/06/1075693406.db2.gz PXXBXYPTIXBJBT-UHFFFAOYSA-N 1 2 423.543 1.777 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2)C[C@@H](C)O1 ZINC000548966188 1075700674 /nfs/dbraw/zinc/70/06/74/1075700674.db2.gz NTKXPKFEGVRDPI-ZIAGYGMSSA-N 1 2 419.507 1.783 20 0 HDADLO O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732293569 1075701547 /nfs/dbraw/zinc/70/15/47/1075701547.db2.gz NAFMZKJENVQSCY-HNNXBMFYSA-N 1 2 408.861 1.500 20 0 HDADLO O=C(CCn1cc[nH]c(=O)c1=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732293569 1075701552 /nfs/dbraw/zinc/70/15/52/1075701552.db2.gz NAFMZKJENVQSCY-HNNXBMFYSA-N 1 2 408.861 1.500 20 0 HDADLO C[C@@H](NC(=O)COC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(=O)N(C)C ZINC000732397221 1075732516 /nfs/dbraw/zinc/73/25/16/1075732516.db2.gz MVWWHJCHYVDPHM-SJORKVTESA-N 1 2 403.523 1.466 20 0 HDADLO CCOC(=O)N1CCC(NC(=O)C[N@H+](CCOC)Cc2ccc3c(c2)OCO3)CC1 ZINC000732410830 1075737793 /nfs/dbraw/zinc/73/77/93/1075737793.db2.gz JXTFJLGPMVOZRL-UHFFFAOYSA-N 1 2 421.494 1.601 20 0 HDADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+](CCOC)Cc2ccc3c(c2)OCO3)CC1 ZINC000732410830 1075737798 /nfs/dbraw/zinc/73/77/98/1075737798.db2.gz JXTFJLGPMVOZRL-UHFFFAOYSA-N 1 2 421.494 1.601 20 0 HDADLO Nc1ccc(CNC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c[nH+]1 ZINC000548951185 1075740741 /nfs/dbraw/zinc/74/07/41/1075740741.db2.gz OZYDEXAGQQELEW-UHFFFAOYSA-N 1 2 412.494 1.659 20 0 HDADLO Nc1ccc(CNC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)c[nH+]1 ZINC000554907886 1075740785 /nfs/dbraw/zinc/74/07/85/1075740785.db2.gz HOGGVODRUXITDU-UHFFFAOYSA-N 1 2 408.462 1.799 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 ZINC000448351464 1075749013 /nfs/dbraw/zinc/74/90/13/1075749013.db2.gz AMLUPGUNHCQDPY-UHFFFAOYSA-N 1 2 415.461 2.174 20 0 HDADLO CC(C)(C)OC(=O)NCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732460431 1075750719 /nfs/dbraw/zinc/75/07/19/1075750719.db2.gz KVYDYLNPSNLHRB-GOSISDBHSA-N 1 2 406.527 1.754 20 0 HDADLO CC(C)(C)C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(F)(F)F ZINC000478096052 1075753189 /nfs/dbraw/zinc/75/31/89/1075753189.db2.gz LIDBUVHMUQFXKL-CYBMUJFWSA-N 1 2 419.448 1.637 20 0 HDADLO COc1cccc([C@H](O)CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732476350 1075757029 /nfs/dbraw/zinc/75/70/29/1075757029.db2.gz GEROVBHYBLIZEX-RBBKRZOGSA-N 1 2 413.518 1.971 20 0 HDADLO CCOC(=O)N1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732476838 1075757083 /nfs/dbraw/zinc/75/70/83/1075757083.db2.gz YTHMDKOINUSMMA-HXUWFJFHSA-N 1 2 418.538 1.804 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCC(C2OCCO2)CC1 ZINC000732476596 1075757338 /nfs/dbraw/zinc/75/73/38/1075757338.db2.gz PTIYRUNYPKMVJX-HXUWFJFHSA-N 1 2 403.523 1.724 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000732491534 1075764964 /nfs/dbraw/zinc/76/49/64/1075764964.db2.gz UGTCZOLCDJJOAQ-QGZVFWFLSA-N 1 2 404.474 1.939 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000732491534 1075764967 /nfs/dbraw/zinc/76/49/67/1075764967.db2.gz UGTCZOLCDJJOAQ-QGZVFWFLSA-N 1 2 404.474 1.939 20 0 HDADLO C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(-n2cccn2)c1 ZINC000467690219 1075769792 /nfs/dbraw/zinc/76/97/92/1075769792.db2.gz CGMLOLRWTLQGJN-KRWDZBQOSA-N 1 2 409.494 2.284 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COCCNC(=O)OC(C)(C)C)CC1 ZINC000732552732 1075784436 /nfs/dbraw/zinc/78/44/36/1075784436.db2.gz ZGNYYLZJMPQMHU-UHFFFAOYSA-N 1 2 420.510 1.554 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)c2)CC1 ZINC000569829360 1075792337 /nfs/dbraw/zinc/79/23/37/1075792337.db2.gz IWKZBUMQOKQUHN-UHFFFAOYSA-N 1 2 424.427 1.770 20 0 HDADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)Cc3ccco3)CC2)c1 ZINC000030276660 1075799559 /nfs/dbraw/zinc/79/95/59/1075799559.db2.gz PDDHUCWABAXZRP-UHFFFAOYSA-N 1 2 419.503 1.447 20 0 HDADLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)Cc3ccco3)CC2)c1 ZINC000030276660 1075799563 /nfs/dbraw/zinc/79/95/63/1075799563.db2.gz PDDHUCWABAXZRP-UHFFFAOYSA-N 1 2 419.503 1.447 20 0 HDADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](c2ccco2)C1 ZINC000441830901 1075799864 /nfs/dbraw/zinc/79/98/64/1075799864.db2.gz UXTBMAXJBKTLQC-DLBZAZTESA-N 1 2 415.494 1.747 20 0 HDADLO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000611033526 1075816462 /nfs/dbraw/zinc/81/64/62/1075816462.db2.gz ZHJCRWKWQQPVMG-QAPCUYQASA-N 1 2 405.476 1.776 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732657132 1075818150 /nfs/dbraw/zinc/81/81/50/1075818150.db2.gz KZTLIORTORFEJC-PKOBYXMFSA-N 1 2 411.474 1.782 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732657131 1075818190 /nfs/dbraw/zinc/81/81/90/1075818190.db2.gz KZTLIORTORFEJC-MJGOQNOKSA-N 1 2 411.474 1.782 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000732661114 1075819468 /nfs/dbraw/zinc/81/94/68/1075819468.db2.gz OIFQVFVHOHFXES-UHFFFAOYSA-N 1 2 424.549 1.822 20 0 HDADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000030514698 1075821870 /nfs/dbraw/zinc/82/18/70/1075821870.db2.gz ZBPXZVHBPRWLIH-QGZVFWFLSA-N 1 2 415.943 1.287 20 0 HDADLO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000611064054 1075823071 /nfs/dbraw/zinc/82/30/71/1075823071.db2.gz SDVKWEAVPYTWMI-MISYRCLQSA-N 1 2 405.587 1.445 20 0 HDADLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)cn1 ZINC000429286215 1075823378 /nfs/dbraw/zinc/82/33/78/1075823378.db2.gz QGRMYLNFFNZVOO-UHFFFAOYSA-N 1 2 411.959 1.953 20 0 HDADLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)cn1 ZINC000429286215 1075823382 /nfs/dbraw/zinc/82/33/82/1075823382.db2.gz QGRMYLNFFNZVOO-UHFFFAOYSA-N 1 2 411.959 1.953 20 0 HDADLO CC(C)COc1ccccc1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438307458 1075826641 /nfs/dbraw/zinc/82/66/41/1075826641.db2.gz SJFLOPHCANTPJE-UHFFFAOYSA-N 1 2 401.511 2.572 20 0 HDADLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@@H]1C ZINC000611083961 1075831442 /nfs/dbraw/zinc/83/14/42/1075831442.db2.gz UXCBLRFQUMZEFF-NSHDSACASA-N 1 2 405.314 1.950 20 0 HDADLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)C[C@@H]1C ZINC000611083961 1075831447 /nfs/dbraw/zinc/83/14/47/1075831447.db2.gz UXCBLRFQUMZEFF-NSHDSACASA-N 1 2 405.314 1.950 20 0 HDADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000766156254 1075862185 /nfs/dbraw/zinc/86/21/85/1075862185.db2.gz SSMSMGKKZQFFDX-KRWDZBQOSA-N 1 2 406.502 1.633 20 0 HDADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000766156256 1075862429 /nfs/dbraw/zinc/86/24/29/1075862429.db2.gz SSMSMGKKZQFFDX-QGZVFWFLSA-N 1 2 406.502 1.633 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1C ZINC000732807155 1075863462 /nfs/dbraw/zinc/86/34/62/1075863462.db2.gz HHTHZDHEKGXWFA-INIZCTEOSA-N 1 2 422.551 1.366 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1C ZINC000732807155 1075863464 /nfs/dbraw/zinc/86/34/64/1075863464.db2.gz HHTHZDHEKGXWFA-INIZCTEOSA-N 1 2 422.551 1.366 20 0 HDADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH+]1CCC2(CCOC2)CC1 ZINC000611177742 1075870205 /nfs/dbraw/zinc/87/02/05/1075870205.db2.gz ZHJLAXDZVAWOEC-UHFFFAOYSA-N 1 2 409.508 1.773 20 0 HDADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809501 1075870429 /nfs/dbraw/zinc/87/04/29/1075870429.db2.gz FHYNAAUTMCTCSL-MGPQQGTHSA-N 1 2 415.412 1.426 20 0 HDADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809501 1075870437 /nfs/dbraw/zinc/87/04/37/1075870437.db2.gz FHYNAAUTMCTCSL-MGPQQGTHSA-N 1 2 415.412 1.426 20 0 HDADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732811894 1075874003 /nfs/dbraw/zinc/87/40/03/1075874003.db2.gz HXMNYPGYKKHCAE-ZBFHGGJFSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732811894 1075874005 /nfs/dbraw/zinc/87/40/05/1075874005.db2.gz HXMNYPGYKKHCAE-ZBFHGGJFSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732813067 1075874472 /nfs/dbraw/zinc/87/44/72/1075874472.db2.gz UBXPAYKBLGGISV-HOCLYGCPSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732813067 1075874478 /nfs/dbraw/zinc/87/44/78/1075874478.db2.gz UBXPAYKBLGGISV-HOCLYGCPSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732813066 1075874587 /nfs/dbraw/zinc/87/45/87/1075874587.db2.gz UBXPAYKBLGGISV-GOEBONIOSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732813066 1075874592 /nfs/dbraw/zinc/87/45/92/1075874592.db2.gz UBXPAYKBLGGISV-GOEBONIOSA-N 1 2 408.524 1.138 20 0 HDADLO COC(=O)c1ccc(N2CC[N@H+](CC(=O)N3CCOC[C@@H]3C3CC3)[C@@H](C)C2)cc1 ZINC000611224849 1075880262 /nfs/dbraw/zinc/88/02/62/1075880262.db2.gz JFEOQRJEXBASMS-OXJNMPFZSA-N 1 2 401.507 1.621 20 0 HDADLO COC(=O)c1ccc(N2CC[N@@H+](CC(=O)N3CCOC[C@@H]3C3CC3)[C@@H](C)C2)cc1 ZINC000611224849 1075880267 /nfs/dbraw/zinc/88/02/67/1075880267.db2.gz JFEOQRJEXBASMS-OXJNMPFZSA-N 1 2 401.507 1.621 20 0 HDADLO Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000732895969 1075898812 /nfs/dbraw/zinc/89/88/12/1075898812.db2.gz BPYVFICENFZWTI-HXUWFJFHSA-N 1 2 424.501 1.171 20 0 HDADLO CCOC(=O)c1sc2[nH]c([C@H](C)N3CC[NH+]([C@H]4CCOC4)CC3)nc(=O)c2c1C ZINC000611348676 1075912941 /nfs/dbraw/zinc/91/29/41/1075912941.db2.gz HMRBBIQTJFIGNC-KBPBESRZSA-N 1 2 420.535 1.937 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccnc(Cl)c1 ZINC000732916458 1075912986 /nfs/dbraw/zinc/91/29/86/1075912986.db2.gz RQAYKSHRJAXTSG-HNNXBMFYSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccnc(Cl)c1 ZINC000732916458 1075912992 /nfs/dbraw/zinc/91/29/92/1075912992.db2.gz RQAYKSHRJAXTSG-HNNXBMFYSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000732944130 1075922088 /nfs/dbraw/zinc/92/20/88/1075922088.db2.gz IMMZCWHWXJESDI-UHFFFAOYSA-N 1 2 412.462 1.926 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2C)no1 ZINC000506036582 1075974399 /nfs/dbraw/zinc/97/43/99/1075974399.db2.gz YWXDYMXTDGCOKH-LJQANCHMSA-N 1 2 410.478 1.562 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C)no1 ZINC000506036582 1075974402 /nfs/dbraw/zinc/97/44/02/1075974402.db2.gz YWXDYMXTDGCOKH-LJQANCHMSA-N 1 2 410.478 1.562 20 0 HDADLO COc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c1 ZINC001080156324 1075983204 /nfs/dbraw/zinc/98/32/04/1075983204.db2.gz LJYIIPWLAWBLKR-KQJHKXNGSA-N 1 2 401.507 1.885 20 0 HDADLO COc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c1 ZINC001080156324 1075983208 /nfs/dbraw/zinc/98/32/08/1075983208.db2.gz LJYIIPWLAWBLKR-KQJHKXNGSA-N 1 2 401.507 1.885 20 0 HDADLO C[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080182122 1075985544 /nfs/dbraw/zinc/98/55/44/1075985544.db2.gz TWFSXRSEWVSYGO-BEXVUTDOSA-N 1 2 403.454 1.955 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080182122 1075985546 /nfs/dbraw/zinc/98/55/46/1075985546.db2.gz TWFSXRSEWVSYGO-BEXVUTDOSA-N 1 2 403.454 1.955 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1 ZINC000733156682 1075989606 /nfs/dbraw/zinc/98/96/06/1075989606.db2.gz IFGKGSZNBMSLMO-LJQANCHMSA-N 1 2 404.486 1.721 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1 ZINC000733156682 1075989610 /nfs/dbraw/zinc/98/96/10/1075989610.db2.gz IFGKGSZNBMSLMO-LJQANCHMSA-N 1 2 404.486 1.721 20 0 HDADLO CNC(=O)Cc1noc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000493816865 1075992922 /nfs/dbraw/zinc/99/29/22/1075992922.db2.gz JICKLLLLIAXEPG-NSHDSACASA-N 1 2 423.399 1.799 20 0 HDADLO CNC(=O)Cc1noc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000493816865 1075992926 /nfs/dbraw/zinc/99/29/26/1075992926.db2.gz JICKLLLLIAXEPG-NSHDSACASA-N 1 2 423.399 1.799 20 0 HDADLO CO[C@@H]1C[N@H+](Cc2cccc(C(C)C)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973863 1076021774 /nfs/dbraw/zinc/02/17/74/1076021774.db2.gz XJHKFFQVOAFODF-QFOJKKOJSA-N 1 2 403.523 1.572 20 0 HDADLO CO[C@@H]1C[N@@H+](Cc2cccc(C(C)C)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973863 1076021777 /nfs/dbraw/zinc/02/17/77/1076021777.db2.gz XJHKFFQVOAFODF-QFOJKKOJSA-N 1 2 403.523 1.572 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1=O ZINC000733293972 1076040691 /nfs/dbraw/zinc/04/06/91/1076040691.db2.gz ZCHYWRYKDUMKON-HXUWFJFHSA-N 1 2 406.458 1.068 20 0 HDADLO CS(=O)(=O)NCCNC(=S)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000727074251 1076046197 /nfs/dbraw/zinc/04/61/97/1076046197.db2.gz DCCUMEILJIJBLS-CQSZACIVSA-N 1 2 422.979 1.629 20 0 HDADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000727146088 1076053242 /nfs/dbraw/zinc/05/32/42/1076053242.db2.gz JPDLAOJZJWTNOL-HNAYVOBHSA-N 1 2 401.573 1.860 20 0 HDADLO NS(=O)(=O)c1ccc(F)c(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000733368933 1076055934 /nfs/dbraw/zinc/05/59/34/1076055934.db2.gz VIHTWODTEDNYMN-UHFFFAOYSA-N 1 2 406.483 1.025 20 0 HDADLO O=C(CN1CCN(C(=O)NCCCn2cc[nH+]c2)CC1)Nc1ccccc1Cl ZINC000053510148 1076057740 /nfs/dbraw/zinc/05/77/40/1076057740.db2.gz JCKRMJUJZKOFNN-UHFFFAOYSA-N 1 2 404.902 1.893 20 0 HDADLO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001082658014 1076062107 /nfs/dbraw/zinc/06/21/07/1076062107.db2.gz INBUDJZPSJPHPW-QGHZAEEISA-N 1 2 402.451 1.318 20 0 HDADLO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000021929923 1076064429 /nfs/dbraw/zinc/06/44/29/1076064429.db2.gz SKRYDJVHQQKARP-UHFFFAOYSA-N 1 2 407.561 1.798 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc3ncoc3c2)CC1 ZINC000727193907 1076079101 /nfs/dbraw/zinc/07/91/01/1076079101.db2.gz OOSMHKPUPBSGPE-UHFFFAOYSA-N 1 2 421.417 1.010 20 0 HDADLO COc1cc(Br)c(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1OC ZINC000727226630 1076084615 /nfs/dbraw/zinc/08/46/15/1076084615.db2.gz DYGBMFGETQMQDI-GFCCVEGCSA-N 1 2 416.316 1.986 20 0 HDADLO COc1cc(Br)c(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1OC ZINC000727226630 1076084620 /nfs/dbraw/zinc/08/46/20/1076084620.db2.gz DYGBMFGETQMQDI-GFCCVEGCSA-N 1 2 416.316 1.986 20 0 HDADLO COC(=O)N[C@H](C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000733553877 1076097217 /nfs/dbraw/zinc/09/72/17/1076097217.db2.gz BYNXGQOKLIQPPP-SFHVURJKSA-N 1 2 407.467 1.381 20 0 HDADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000022691916 1076217401 /nfs/dbraw/zinc/21/74/01/1076217401.db2.gz RHWBZWVUBBJBED-HNNXBMFYSA-N 1 2 423.560 1.768 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000533829848 1076245211 /nfs/dbraw/zinc/24/52/11/1076245211.db2.gz HVPTVAAIJQHHTP-QGZVFWFLSA-N 1 2 405.451 1.471 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000533829848 1076245213 /nfs/dbraw/zinc/24/52/13/1076245213.db2.gz HVPTVAAIJQHHTP-QGZVFWFLSA-N 1 2 405.451 1.471 20 0 HDADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000534480169 1076247509 /nfs/dbraw/zinc/24/75/09/1076247509.db2.gz MNGUFBVOYFHSTQ-MBOZVWFJSA-N 1 2 424.973 1.366 20 0 HDADLO CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000534541097 1076248349 /nfs/dbraw/zinc/24/83/49/1076248349.db2.gz NDRUBIIGEUCYNX-FQEVSTJZSA-N 1 2 408.502 1.995 20 0 HDADLO CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000534541097 1076248353 /nfs/dbraw/zinc/24/83/53/1076248353.db2.gz NDRUBIIGEUCYNX-FQEVSTJZSA-N 1 2 408.502 1.995 20 0 HDADLO CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1Cl ZINC000534542038 1076248395 /nfs/dbraw/zinc/24/83/95/1076248395.db2.gz SAXWXGWRZKXJAH-QGZVFWFLSA-N 1 2 400.866 1.941 20 0 HDADLO CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1Cl ZINC000534542038 1076248396 /nfs/dbraw/zinc/24/83/96/1076248396.db2.gz SAXWXGWRZKXJAH-QGZVFWFLSA-N 1 2 400.866 1.941 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000534541015 1076248517 /nfs/dbraw/zinc/24/85/17/1076248517.db2.gz KQFLYMDFHZUCDT-QGZVFWFLSA-N 1 2 421.906 1.985 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000534541015 1076248519 /nfs/dbraw/zinc/24/85/19/1076248519.db2.gz KQFLYMDFHZUCDT-QGZVFWFLSA-N 1 2 421.906 1.985 20 0 HDADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535315905 1076252571 /nfs/dbraw/zinc/25/25/71/1076252571.db2.gz WYDNUMVBPJPNSX-LJQANCHMSA-N 1 2 410.474 1.443 20 0 HDADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535315905 1076252576 /nfs/dbraw/zinc/25/25/76/1076252576.db2.gz WYDNUMVBPJPNSX-LJQANCHMSA-N 1 2 410.474 1.443 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000144125918 1076253349 /nfs/dbraw/zinc/25/33/49/1076253349.db2.gz JHNLAVXXMAFJSM-QGZVFWFLSA-N 1 2 404.492 1.001 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000536031181 1076253923 /nfs/dbraw/zinc/25/39/23/1076253923.db2.gz AXCCZMIGVCVXFV-FQEVSTJZSA-N 1 2 422.485 1.400 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000536031181 1076253926 /nfs/dbraw/zinc/25/39/26/1076253926.db2.gz AXCCZMIGVCVXFV-FQEVSTJZSA-N 1 2 422.485 1.400 20 0 HDADLO O=C(CCCC1CC1)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065712388 1076257665 /nfs/dbraw/zinc/25/76/65/1076257665.db2.gz XCGQFEHEARUVHO-YENHRIDLSA-N 1 2 401.551 1.735 20 0 HDADLO Cc1ccccc1C(=O)NC1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000727818349 1076266969 /nfs/dbraw/zinc/26/69/69/1076266969.db2.gz NXNLKAYELXRTLT-UHFFFAOYSA-N 1 2 400.479 1.248 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001083148821 1076307454 /nfs/dbraw/zinc/30/74/54/1076307454.db2.gz ILEZWBNDFSAJOT-YRDAVIKESA-N 1 2 412.486 1.293 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001083148821 1076307459 /nfs/dbraw/zinc/30/74/59/1076307459.db2.gz ILEZWBNDFSAJOT-YRDAVIKESA-N 1 2 412.486 1.293 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC001083148969 1076307938 /nfs/dbraw/zinc/30/79/38/1076307938.db2.gz QHGPEHKPKSUOMK-FVULDSPZSA-N 1 2 402.466 1.153 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC001083148969 1076307942 /nfs/dbraw/zinc/30/79/42/1076307942.db2.gz QHGPEHKPKSUOMK-FVULDSPZSA-N 1 2 402.466 1.153 20 0 HDADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000728067344 1076315750 /nfs/dbraw/zinc/31/57/50/1076315750.db2.gz HCLVHCSKECTSSR-CTUYBLSSSA-N 1 2 422.595 1.401 20 0 HDADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000728067344 1076315754 /nfs/dbraw/zinc/31/57/54/1076315754.db2.gz HCLVHCSKECTSSR-CTUYBLSSSA-N 1 2 422.595 1.401 20 0 HDADLO CO[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 ZINC000728049273 1076319273 /nfs/dbraw/zinc/31/92/73/1076319273.db2.gz FDMNEISQENFEDC-OXJNMPFZSA-N 1 2 402.451 1.479 20 0 HDADLO CO[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 ZINC000728049273 1076319278 /nfs/dbraw/zinc/31/92/78/1076319278.db2.gz FDMNEISQENFEDC-OXJNMPFZSA-N 1 2 402.451 1.479 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000023467270 1076343556 /nfs/dbraw/zinc/34/35/56/1076343556.db2.gz RDIKNLWNJIRTCK-UHFFFAOYSA-N 1 2 404.536 1.624 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000024083359 1076344882 /nfs/dbraw/zinc/34/48/82/1076344882.db2.gz NBXQTGTUUOQYDA-UHFFFAOYSA-N 1 2 421.501 1.843 20 0 HDADLO COc1ccc(NC(=O)[C@H]2CCCN2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000730132159 1076460163 /nfs/dbraw/zinc/46/01/63/1076460163.db2.gz VKHXUIVUHHAPTP-VQIMIIECSA-N 1 2 403.527 1.444 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(CN3CC[NH+](Cc4ccncc4)CC3)C2=O)cc1 ZINC000730251274 1076498564 /nfs/dbraw/zinc/49/85/64/1076498564.db2.gz FWRQZFYZLZLCHV-QHCPKHFHSA-N 1 2 423.517 1.719 20 0 HDADLO CS(=O)(=O)CCNC(=S)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000730436066 1076577507 /nfs/dbraw/zinc/57/75/07/1076577507.db2.gz KVBBHOSSTJADAA-UHFFFAOYSA-N 1 2 419.016 1.361 20 0 HDADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2)C1 ZINC000730528390 1076590350 /nfs/dbraw/zinc/59/03/50/1076590350.db2.gz MYPWPIQXKAVLOH-HZPDHXFCSA-N 1 2 408.506 1.866 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000730543527 1076596450 /nfs/dbraw/zinc/59/64/50/1076596450.db2.gz JIBIGABQKVDSEC-UHFFFAOYSA-N 1 2 423.477 1.524 20 0 HDADLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571236 1076605663 /nfs/dbraw/zinc/60/56/63/1076605663.db2.gz OUSSWTAGENUHPM-SJORKVTESA-N 1 2 423.583 1.509 20 0 HDADLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571236 1076605674 /nfs/dbraw/zinc/60/56/74/1076605674.db2.gz OUSSWTAGENUHPM-SJORKVTESA-N 1 2 423.583 1.509 20 0 HDADLO COc1cc(C(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)ccc1C ZINC000730937661 1076697506 /nfs/dbraw/zinc/69/75/06/1076697506.db2.gz AMPBMIVGVMIGRV-UHFFFAOYSA-N 1 2 417.531 1.652 20 0 HDADLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000731004921 1076708435 /nfs/dbraw/zinc/70/84/35/1076708435.db2.gz STOKSEXIJRJHSB-LLVKDONJSA-N 1 2 423.507 1.417 20 0 HDADLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000731004921 1076708440 /nfs/dbraw/zinc/70/84/40/1076708440.db2.gz STOKSEXIJRJHSB-LLVKDONJSA-N 1 2 423.507 1.417 20 0 HDADLO Cn1c2ccccc2nc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1=O ZINC000033269509 559032415 /nfs/dbraw/zinc/03/24/15/559032415.db2.gz RCJRSJRHFZHRBM-UHFFFAOYSA-N 1 2 406.442 1.620 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)N3CCCC3)CC2)C1=O ZINC001164640258 719267625 /nfs/dbraw/zinc/26/76/25/719267625.db2.gz SDHDFTGQNUWPIC-UHFFFAOYSA-N 1 2 415.538 1.077 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)N3CCCC3)CC2)C1=O ZINC001164640258 719267632 /nfs/dbraw/zinc/26/76/32/719267632.db2.gz SDHDFTGQNUWPIC-UHFFFAOYSA-N 1 2 415.538 1.077 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccc(OC)cc4nc3C)CC2)C1=O ZINC001164644522 719282024 /nfs/dbraw/zinc/28/20/24/719282024.db2.gz NCSUQZAAKHCRRZ-UHFFFAOYSA-N 1 2 413.522 1.706 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccc(OC)cc4nc3C)CC2)C1=O ZINC001164644522 719282027 /nfs/dbraw/zinc/28/20/27/719282027.db2.gz NCSUQZAAKHCRRZ-UHFFFAOYSA-N 1 2 413.522 1.706 20 0 HDADLO COC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)c1 ZINC001164702007 719838043 /nfs/dbraw/zinc/83/80/43/719838043.db2.gz NEAGKVXBHVSKBG-AUUYWEPGSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(N2CCCCC2)nn1 ZINC001164700920 719838452 /nfs/dbraw/zinc/83/84/52/719838452.db2.gz LFLMFRMZVXVVRL-UTKZUKDTSA-N 1 2 403.527 1.700 20 0 HDADLO CCOC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C ZINC001164702050 719838502 /nfs/dbraw/zinc/83/85/02/719838502.db2.gz NMZDLJUKRYUUFV-IERDGZPVSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)c1ccc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706523 719838679 /nfs/dbraw/zinc/83/86/79/719838679.db2.gz XNKMEKHROQOCFQ-ORAYPTAESA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1C(N)=O ZINC001164698650 719840989 /nfs/dbraw/zinc/84/09/89/719840989.db2.gz GMBBTDAYGPRMEJ-YJYMSZOUSA-N 1 2 410.902 1.375 20 0 HDADLO CCOC(=O)c1cc(C)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164700419 719847844 /nfs/dbraw/zinc/84/78/44/719847844.db2.gz KLGLDBGOLJGIDH-MGPUTAFESA-N 1 2 406.483 1.194 20 0 HDADLO CCOC(=O)c1cnc(C)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707154 719848140 /nfs/dbraw/zinc/84/81/40/719848140.db2.gz ZOJTWBZEONJIEA-MGPUTAFESA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ccc(OC)cc2n1 ZINC001164706984 719848368 /nfs/dbraw/zinc/84/83/68/719848368.db2.gz YRCFGLDPUGQHNC-HRAATJIYSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2c1C(=O)OC2(C)C ZINC001164706773 719850759 /nfs/dbraw/zinc/85/07/59/719850759.db2.gz YWDZLGFWADGWQN-SPLOXXLWSA-N 1 2 403.479 1.720 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2c1C(=O)OC2(C)C ZINC001164706768 719850916 /nfs/dbraw/zinc/85/09/16/719850916.db2.gz YWDZLGFWADGWQN-QKKBWIMNSA-N 1 2 403.479 1.720 20 0 HDADLO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164699485 719853132 /nfs/dbraw/zinc/85/31/32/719853132.db2.gz FRCAFNDWJRZTFB-IIBYNOLFSA-N 1 2 405.495 1.718 20 0 HDADLO COCc1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc(SC)n1 ZINC001164700514 719853165 /nfs/dbraw/zinc/85/31/65/719853165.db2.gz HQRBHIHUBJIVTH-HNAYVOBHSA-N 1 2 410.540 1.578 20 0 HDADLO CCOC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164705153 719855036 /nfs/dbraw/zinc/85/50/36/719855036.db2.gz TXZXUUASLAXOJL-DYESRHJHSA-N 1 2 405.495 1.420 20 0 HDADLO CCOC(=O)c1cc(C)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164704029 719855042 /nfs/dbraw/zinc/85/50/42/719855042.db2.gz QPKWPQNRCKSAHO-HRAATJIYSA-N 1 2 405.495 1.799 20 0 HDADLO CCOC(=O)c1c(C)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706755 719855991 /nfs/dbraw/zinc/85/59/91/719855991.db2.gz YRXRJSUGYGSESD-QRWLVFNGSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cccc(OC)c2n1 ZINC001164702581 719856447 /nfs/dbraw/zinc/85/64/47/719856447.db2.gz OASWPYBKEIBROB-IIBYNOLFSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(Cl)cnc21 ZINC001164706675 719858528 /nfs/dbraw/zinc/85/85/28/719858528.db2.gz YLJHUZBXKPRIKS-AUUYWEPGSA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(N2CCOCC2)n1 ZINC001164698724 719863019 /nfs/dbraw/zinc/86/30/19/719863019.db2.gz DCIGFPNYYWBQEI-UWJYYQICSA-N 1 2 404.511 1.151 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCCC2)ncn1 ZINC001164702853 719867425 /nfs/dbraw/zinc/86/74/25/719867425.db2.gz JBUPSBQTCQONHL-LAUBAEHRSA-N 1 2 403.527 1.700 20 0 HDADLO CCCNC(=O)c1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706579 719868394 /nfs/dbraw/zinc/86/83/94/719868394.db2.gz QBGFMVAULGKSOH-IERDGZPVSA-N 1 2 404.511 1.454 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCC[C@@H](C)C2)ncn1 ZINC001164702939 719874105 /nfs/dbraw/zinc/87/41/05/719874105.db2.gz JIGKUTDLODBZEM-HMFYCAOWSA-N 1 2 417.554 1.946 20 0 HDADLO CCOC(=O)c1cnc(CC)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701710 719875622 /nfs/dbraw/zinc/87/56/22/719875622.db2.gz GXJYOJWNARENRA-BTYIYWSLSA-N 1 2 420.510 1.448 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(-c2nccs2)n1 ZINC001164699724 719879568 /nfs/dbraw/zinc/87/95/68/719879568.db2.gz HNSUIAHVSCPXIP-LIRRHRJNSA-N 1 2 403.508 1.833 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164709164 719907733 /nfs/dbraw/zinc/90/77/33/719907733.db2.gz PSCLDJPACLCELP-GOSISDBHSA-N 1 2 406.893 1.883 20 0 HDADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164709341 719914716 /nfs/dbraw/zinc/91/47/16/719914716.db2.gz SWYPWAJGFPOBES-UHFFFAOYSA-N 1 2 424.553 1.151 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164708903 719914869 /nfs/dbraw/zinc/91/48/69/719914869.db2.gz MTAGSIOWQOZQNL-UHFFFAOYSA-N 1 2 423.546 1.889 20 0 HDADLO Cc1csc2cnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc12 ZINC001164708645 719920130 /nfs/dbraw/zinc/92/01/30/719920130.db2.gz OIXOYXIUGNIRRH-UHFFFAOYSA-N 1 2 411.535 1.684 20 0 HDADLO CC(C)COc1cccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708327 719920464 /nfs/dbraw/zinc/92/04/64/719920464.db2.gz JLGHRQKUAGQABJ-UHFFFAOYSA-N 1 2 412.538 1.800 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164708320 719925686 /nfs/dbraw/zinc/92/56/86/719925686.db2.gz ISVSGFLEDIAUFP-UHFFFAOYSA-N 1 2 407.478 1.420 20 0 HDADLO CCc1ncnc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164704837 719936703 /nfs/dbraw/zinc/93/67/03/719936703.db2.gz UDIXYEHLAGLBKP-UHFFFAOYSA-N 1 2 403.918 1.376 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Oc4ccccc4)ncn3)C2)C1 ZINC001164719808 720224680 /nfs/dbraw/zinc/22/46/80/720224680.db2.gz UPAIMCZHYUDCCP-QFIPXVFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Oc4ccccc4)ncn3)C2)C1 ZINC001164719808 720224686 /nfs/dbraw/zinc/22/46/86/720224686.db2.gz UPAIMCZHYUDCCP-QFIPXVFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)c4cc(OC)ccc4n3)C2)C1 ZINC001164719856 720260787 /nfs/dbraw/zinc/26/07/87/720260787.db2.gz PVFFONBGQGMMTQ-JOCHJYFZSA-N 1 2 413.522 1.612 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)c4cc(OC)ccc4n3)C2)C1 ZINC001164719856 720260792 /nfs/dbraw/zinc/26/07/92/720260792.db2.gz PVFFONBGQGMMTQ-JOCHJYFZSA-N 1 2 413.522 1.612 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc[nH]c4nc(=S)sc3-4)C2)C1 ZINC001164723841 720279345 /nfs/dbraw/zinc/27/93/45/720279345.db2.gz YLAXOOWRNUKFIL-QGZVFWFLSA-N 1 2 408.553 1.040 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc[nH]c4nc(=S)sc3-4)C2)C1 ZINC001164723841 720279357 /nfs/dbraw/zinc/27/93/57/720279357.db2.gz YLAXOOWRNUKFIL-QGZVFWFLSA-N 1 2 408.553 1.040 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4C(N)=O)CC3)C2=O)cs1 ZINC001164823074 720357912 /nfs/dbraw/zinc/35/79/12/720357912.db2.gz ABMIAPOYHVWAPN-UHFFFAOYSA-N 1 2 414.535 1.259 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4C(N)=O)CC3)C2=O)cs1 ZINC001164823074 720357921 /nfs/dbraw/zinc/35/79/21/720357921.db2.gz ABMIAPOYHVWAPN-UHFFFAOYSA-N 1 2 414.535 1.259 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(N)=O)cn4)CC3)C2=O)cs1 ZINC001164824832 720365136 /nfs/dbraw/zinc/36/51/36/720365136.db2.gz NQFBKBWLPBYLEQ-UHFFFAOYSA-N 1 2 414.535 1.259 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(N)=O)cn4)CC3)C2=O)cs1 ZINC001164824832 720365142 /nfs/dbraw/zinc/36/51/42/720365142.db2.gz NQFBKBWLPBYLEQ-UHFFFAOYSA-N 1 2 414.535 1.259 20 0 HDADLO Cc1nc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164828985 720427207 /nfs/dbraw/zinc/42/72/07/720427207.db2.gz YOZTZWKUEORCEA-MRXNPFEDSA-N 1 2 420.945 1.933 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cccnc31)C2 ZINC001164826979 720436268 /nfs/dbraw/zinc/43/62/68/720436268.db2.gz XNBMSGJZEQRFEP-INIZCTEOSA-N 1 2 409.494 1.211 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3ncccc3n1)C2 ZINC001164826255 720449364 /nfs/dbraw/zinc/44/93/64/720449364.db2.gz VGLQJGCGWREXKY-KRWDZBQOSA-N 1 2 408.506 1.816 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3scnc31)C2 ZINC001164829953 720456716 /nfs/dbraw/zinc/45/67/16/720456716.db2.gz IFYRVBJTKNLKMX-OAHLLOKOSA-N 1 2 414.535 1.877 20 0 HDADLO CSc1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831148 720457116 /nfs/dbraw/zinc/45/71/16/720457116.db2.gz MWVPNTCPCOFWHD-MRXNPFEDSA-N 1 2 403.552 1.990 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3cnccc31)C2 ZINC001164833142 720462344 /nfs/dbraw/zinc/46/23/44/720462344.db2.gz YYLKVZAZMBSEBB-SFHVURJKSA-N 1 2 408.506 1.816 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3ncsc31)C2 ZINC001164829547 720465195 /nfs/dbraw/zinc/46/51/95/720465195.db2.gz GEQXFFUASIITJT-HNNXBMFYSA-N 1 2 414.535 1.877 20 0 HDADLO CCc1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164834549 720479271 /nfs/dbraw/zinc/47/92/71/720479271.db2.gz UITQEKVWHOYCCE-HNNXBMFYSA-N 1 2 420.945 1.879 20 0 HDADLO CCc1cc(CC)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164834796 720482165 /nfs/dbraw/zinc/48/21/65/720482165.db2.gz VBDYCUXAOCQXPQ-QGZVFWFLSA-N 1 2 414.554 1.788 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164858649 720895477 /nfs/dbraw/zinc/89/54/77/720895477.db2.gz MRLUBOGUSGKVHF-UHFFFAOYSA-N 1 2 407.812 1.887 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc(S(C)(=O)=O)n4)C[C@H]3C2)cn1 ZINC001164771558 721071209 /nfs/dbraw/zinc/07/12/09/721071209.db2.gz SATOQEVSVCDUMK-UONOGXRCSA-N 1 2 410.931 1.225 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)nc(S(C)(=O)=O)n4)C[C@H]3C2)cn1 ZINC001164771558 721071216 /nfs/dbraw/zinc/07/12/16/721071216.db2.gz SATOQEVSVCDUMK-UONOGXRCSA-N 1 2 410.931 1.225 20 0 HDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781469 721423452 /nfs/dbraw/zinc/42/34/52/721423452.db2.gz DQJGTNXESHSDSB-RTPGUIODSA-N 1 2 421.548 1.415 20 0 HDADLO Cc1cc2c(c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n1)C(=O)NC2=O ZINC001164892276 721431599 /nfs/dbraw/zinc/43/15/99/721431599.db2.gz HXADYZRUIJFNAV-OPAMFIHVSA-N 1 2 413.522 1.039 20 0 HDADLO COC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)[nH]cnc-2n1 ZINC001164802482 721534852 /nfs/dbraw/zinc/53/48/52/721534852.db2.gz GMNZUAPNLJGDPY-CEXWTWQISA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)[nH]cnc-2n1 ZINC001164802482 721534855 /nfs/dbraw/zinc/53/48/55/721534855.db2.gz GMNZUAPNLJGDPY-CEXWTWQISA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(ncnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH]1 ZINC001164802482 721534859 /nfs/dbraw/zinc/53/48/59/721534859.db2.gz GMNZUAPNLJGDPY-CEXWTWQISA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(ncnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH]1 ZINC001164802482 721534863 /nfs/dbraw/zinc/53/48/63/721534863.db2.gz GMNZUAPNLJGDPY-CEXWTWQISA-N 1 2 422.489 1.959 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ccc1S(N)(=O)=O)C2 ZINC001165010300 721718496 /nfs/dbraw/zinc/71/84/96/721718496.db2.gz GBUHWMCNYWOCLO-UHFFFAOYSA-N 1 2 413.935 1.224 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ccc1S(N)(=O)=O)C2 ZINC001165010300 721718499 /nfs/dbraw/zinc/71/84/99/721718499.db2.gz GBUHWMCNYWOCLO-UHFFFAOYSA-N 1 2 413.935 1.224 20 0 HDADLO COC(=O)c1cc(F)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913588 721770399 /nfs/dbraw/zinc/77/03/99/721770399.db2.gz XZXWVCTWLITAFR-NRFANRHFSA-N 1 2 416.453 1.510 20 0 HDADLO COC(=O)c1cc(F)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913588 721770400 /nfs/dbraw/zinc/77/04/00/721770400.db2.gz XZXWVCTWLITAFR-NRFANRHFSA-N 1 2 416.453 1.510 20 0 HDADLO COc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912788 721775196 /nfs/dbraw/zinc/77/51/96/721775196.db2.gz PWOBHTBWZXRCJA-GOSISDBHSA-N 1 2 406.874 1.036 20 0 HDADLO COc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912788 721775198 /nfs/dbraw/zinc/77/51/98/721775198.db2.gz PWOBHTBWZXRCJA-GOSISDBHSA-N 1 2 406.874 1.036 20 0 HDADLO COC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1F ZINC001164911599 721777277 /nfs/dbraw/zinc/77/72/77/721777277.db2.gz HQAVHFBMRDTPQJ-NRFANRHFSA-N 1 2 416.453 1.510 20 0 HDADLO COC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1F ZINC001164911599 721777279 /nfs/dbraw/zinc/77/72/79/721777279.db2.gz HQAVHFBMRDTPQJ-NRFANRHFSA-N 1 2 416.453 1.510 20 0 HDADLO CCOC(=O)c1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913264 721777837 /nfs/dbraw/zinc/77/78/37/721777837.db2.gz UZJWKVUTNKFKSV-JOCHJYFZSA-N 1 2 412.490 1.761 20 0 HDADLO CCOC(=O)c1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913264 721777843 /nfs/dbraw/zinc/77/78/43/721777843.db2.gz UZJWKVUTNKFKSV-JOCHJYFZSA-N 1 2 412.490 1.761 20 0 HDADLO COc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(SC)n1 ZINC001164915176 721782713 /nfs/dbraw/zinc/78/27/13/721782713.db2.gz JKUJCWGHZBMLKH-FQEVSTJZSA-N 1 2 417.535 1.710 20 0 HDADLO COc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(SC)n1 ZINC001164915176 721782718 /nfs/dbraw/zinc/78/27/18/721782718.db2.gz JKUJCWGHZBMLKH-FQEVSTJZSA-N 1 2 417.535 1.710 20 0 HDADLO c1cncc(CN2CCOC[C@]3(CN(c4nc(N5CCCCC5)cc[nH+]4)CCO3)C2)c1 ZINC001164914146 721788765 /nfs/dbraw/zinc/78/87/65/721788765.db2.gz CDIYACDCWJYLRJ-HSZRJFAPSA-N 1 2 424.549 1.970 20 0 HDADLO c1c[nH]c(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)n1 ZINC001164914522 721790339 /nfs/dbraw/zinc/79/03/39/721790339.db2.gz DTDJEQKIIJKSAF-QFIPXVFZSA-N 1 2 406.490 1.975 20 0 HDADLO c1c[nH]c(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)n1 ZINC001164914522 721790341 /nfs/dbraw/zinc/79/03/41/721790341.db2.gz DTDJEQKIIJKSAF-QFIPXVFZSA-N 1 2 406.490 1.975 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4nccnc4OC4CCC4)CCO3)C2)c1 ZINC001164914314 721799060 /nfs/dbraw/zinc/79/90/60/721799060.db2.gz LPIIBORAAPQNAB-JOCHJYFZSA-N 1 2 411.506 1.911 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4nccnc4OC4CCC4)CCO3)C2)c1 ZINC001164914314 721799065 /nfs/dbraw/zinc/79/90/65/721799065.db2.gz LPIIBORAAPQNAB-JOCHJYFZSA-N 1 2 411.506 1.911 20 0 HDADLO CCS(=O)(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971743 722159125 /nfs/dbraw/zinc/15/91/25/722159125.db2.gz FCOWJZGOTGXBJX-ICSRJNTNSA-N 1 2 416.547 1.998 20 0 HDADLO CCS(=O)(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971743 722159127 /nfs/dbraw/zinc/15/91/27/722159127.db2.gz FCOWJZGOTGXBJX-ICSRJNTNSA-N 1 2 416.547 1.998 20 0 HDADLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000509078033 1073475337 /nfs/dbraw/zinc/47/53/37/1073475337.db2.gz MKDAZGSDMJUCQM-WRWLIDTKSA-N 1 2 415.538 1.625 20 0 HDADLO O=C(CCSc1nnnn1CC(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000509081479 1073486124 /nfs/dbraw/zinc/48/61/24/1073486124.db2.gz HZMYTJMTXJCJSU-UHFFFAOYSA-N 1 2 401.418 1.461 20 0 HDADLO O=C(NC1CCN(c2ccccc2)CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671399435 1073505460 /nfs/dbraw/zinc/50/54/60/1073505460.db2.gz DDXIXNXQDCSVOD-HXUWFJFHSA-N 1 2 400.523 1.095 20 0 HDADLO O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000509096179 1073513922 /nfs/dbraw/zinc/51/39/22/1073513922.db2.gz VBALDNHMJDEQRQ-MAUKXSAKSA-N 1 2 400.441 1.872 20 0 HDADLO O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000509096179 1073513929 /nfs/dbraw/zinc/51/39/29/1073513929.db2.gz VBALDNHMJDEQRQ-MAUKXSAKSA-N 1 2 400.441 1.872 20 0 HDADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000429085098 1073529885 /nfs/dbraw/zinc/52/98/85/1073529885.db2.gz XXEALLLGDBNGND-YJBOKZPZSA-N 1 2 410.540 1.625 20 0 HDADLO CCOC1CC(CNC(=O)[C@H](C)n2ccc3ccccc3c2=O)([NH+]2CCOCC2)C1 ZINC000509109344 1073549554 /nfs/dbraw/zinc/54/95/54/1073549554.db2.gz ITXCIHFPMWGYPT-OYMFQORVSA-N 1 2 413.518 1.949 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000509113551 1073561216 /nfs/dbraw/zinc/56/12/16/1073561216.db2.gz UODLQTMKAPWSEQ-UHFFFAOYSA-N 1 2 412.471 1.670 20 0 HDADLO Cc1noc(C(F)F)c1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000673678091 1073632237 /nfs/dbraw/zinc/63/22/37/1073632237.db2.gz SUYJSXNFRWVZQC-UHFFFAOYSA-N 1 2 408.409 1.510 20 0 HDADLO Cc1noc(C(F)F)c1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000673678091 1073632247 /nfs/dbraw/zinc/63/22/47/1073632247.db2.gz SUYJSXNFRWVZQC-UHFFFAOYSA-N 1 2 408.409 1.510 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccccn1 ZINC000509125487 1073638295 /nfs/dbraw/zinc/63/82/95/1073638295.db2.gz PLNDZKVZLPKOST-NRFANRHFSA-N 1 2 416.547 1.855 20 0 HDADLO Cc1cc(N2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000509126485 1073656521 /nfs/dbraw/zinc/65/65/21/1073656521.db2.gz OMTGVFVFTUFCJK-UHFFFAOYSA-N 1 2 423.583 1.955 20 0 HDADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000303077517 1073659736 /nfs/dbraw/zinc/65/97/36/1073659736.db2.gz RYERTWUYZPUIIC-UHFFFAOYSA-N 1 2 423.267 1.182 20 0 HDADLO O=C(Cn1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cn1)NC1CCCCC1 ZINC000673731711 1073664623 /nfs/dbraw/zinc/66/46/23/1073664623.db2.gz LILDGFHLBVNWAF-LJQANCHMSA-N 1 2 403.527 1.269 20 0 HDADLO O=C(Cn1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1)NC1CCCCC1 ZINC000673731710 1073664763 /nfs/dbraw/zinc/66/47/63/1073664763.db2.gz LILDGFHLBVNWAF-IBGZPJMESA-N 1 2 403.527 1.269 20 0 HDADLO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000429117944 1073683754 /nfs/dbraw/zinc/68/37/54/1073683754.db2.gz WCEARBDQURMDNU-WSTZPKSXSA-N 1 2 418.563 1.762 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1ccccn1 ZINC000509136324 1073703286 /nfs/dbraw/zinc/70/32/86/1073703286.db2.gz IATQXBSWXGFCPA-LJQANCHMSA-N 1 2 420.491 1.044 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccn1 ZINC000509138352 1073714736 /nfs/dbraw/zinc/71/47/36/1073714736.db2.gz NLFVPIDREFXLHJ-FQEVSTJZSA-N 1 2 420.416 1.483 20 0 HDADLO O=C(Nc1ccc2c(c1)CCCC(=O)N2)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782109 1073719392 /nfs/dbraw/zinc/71/93/92/1073719392.db2.gz OBGMBHWWGZDNOP-QGZVFWFLSA-N 1 2 400.479 1.223 20 0 HDADLO CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673781785 1073720466 /nfs/dbraw/zinc/72/04/66/1073720466.db2.gz IEJHGNHPLAJRMU-IBGZPJMESA-N 1 2 416.522 1.430 20 0 HDADLO O=C(Nc1ccc(OCC(F)(F)F)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783330 1073721708 /nfs/dbraw/zinc/72/17/08/1073721708.db2.gz SUVBBFJZJKMZCT-INIZCTEOSA-N 1 2 415.412 1.889 20 0 HDADLO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC)cc1Cl ZINC000673785361 1073728834 /nfs/dbraw/zinc/72/88/34/1073728834.db2.gz REHIOBGJTYDTIA-ZDUSSCGKSA-N 1 2 411.886 1.619 20 0 HDADLO COCCOCc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673785004 1073729928 /nfs/dbraw/zinc/72/99/28/1073729928.db2.gz MREUOPOSKHTSGT-IBGZPJMESA-N 1 2 405.495 1.111 20 0 HDADLO Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784835 1073729965 /nfs/dbraw/zinc/72/99/65/1073729965.db2.gz LJVKIWKMXPHMMA-IBGZPJMESA-N 1 2 400.523 1.857 20 0 HDADLO COc1cc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc(OC)c1OC ZINC000673786632 1073731303 /nfs/dbraw/zinc/73/13/03/1073731303.db2.gz IOHKHJSAFFRHNM-UHFFFAOYSA-N 1 2 412.446 1.966 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)[nH+]c12 ZINC000673777288 1073733490 /nfs/dbraw/zinc/73/34/90/1073733490.db2.gz NGLSTTPTTMNNBB-UHFFFAOYSA-N 1 2 406.490 1.816 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccccc3CN3CCOCC3)[nH+]c12 ZINC000673787467 1073740099 /nfs/dbraw/zinc/74/00/99/1073740099.db2.gz SKDTUZFFAYTZMQ-UHFFFAOYSA-N 1 2 421.501 1.772 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccccc3Cn3cncn3)[nH+]c12 ZINC000673787860 1073742902 /nfs/dbraw/zinc/74/29/02/1073742902.db2.gz BNITYINXFQHGKW-UHFFFAOYSA-N 1 2 403.446 1.580 20 0 HDADLO COc1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c(OC)c1OC ZINC000673789415 1073743657 /nfs/dbraw/zinc/74/36/57/1073743657.db2.gz UTUQAZCCFNGYFW-UHFFFAOYSA-N 1 2 412.446 1.966 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H](c3nncn3C)C(C)C)CC2)c1 ZINC000509148357 1073750763 /nfs/dbraw/zinc/75/07/63/1073750763.db2.gz AQWGNMMGBPSMFQ-LJQANCHMSA-N 1 2 416.526 1.927 20 0 HDADLO O=C(NCC1CCN(CC(F)(F)F)CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000429150694 1073791479 /nfs/dbraw/zinc/79/14/79/1073791479.db2.gz LCRDOPQFBCNUEO-QGZVFWFLSA-N 1 2 424.533 1.768 20 0 HDADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cn2)C[C@@H](C)O1 ZINC000673873053 1073840127 /nfs/dbraw/zinc/84/01/27/1073840127.db2.gz CXKLPCXXPULEDK-JFIYKMOQSA-N 1 2 415.498 1.584 20 0 HDADLO COC[C@@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccc(F)cc1 ZINC000466554627 1073895907 /nfs/dbraw/zinc/89/59/07/1073895907.db2.gz JLVDBNFNDQGWIP-QGZVFWFLSA-N 1 2 413.457 1.722 20 0 HDADLO O=C1NCCCC[C@H]1Oc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000766042146 1073906289 /nfs/dbraw/zinc/90/62/89/1073906289.db2.gz GDERCNXHKTUAJI-GOSISDBHSA-N 1 2 412.508 1.165 20 0 HDADLO CCCCN(C(=O)C[N@H+](C)Cc1cn[nH]c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000673927507 1073907447 /nfs/dbraw/zinc/90/74/47/1073907447.db2.gz IVPAPKKBUHIJBI-UHFFFAOYSA-N 1 2 405.503 1.175 20 0 HDADLO CCCCN(C(=O)C[N@@H+](C)Cc1cn[nH]c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000673927507 1073907449 /nfs/dbraw/zinc/90/74/49/1073907449.db2.gz IVPAPKKBUHIJBI-UHFFFAOYSA-N 1 2 405.503 1.175 20 0 HDADLO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000466563874 1073933028 /nfs/dbraw/zinc/93/30/28/1073933028.db2.gz CWXSCQKFHSUHOC-ZCNNSNEGSA-N 1 2 402.539 1.663 20 0 HDADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000543517567 1073970634 /nfs/dbraw/zinc/97/06/34/1073970634.db2.gz VDMINLLMHCTMLB-RDTXWAMCSA-N 1 2 420.473 1.762 20 0 HDADLO COc1ccc(CN(CCO)CC[NH+]2CCOCC2)c(Br)c1OC ZINC000484421051 1073995515 /nfs/dbraw/zinc/99/55/15/1073995515.db2.gz IGRYWQGMJZXKDZ-UHFFFAOYSA-N 1 2 403.317 1.593 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)s[nH]2)c1 ZINC000543523594 1073997976 /nfs/dbraw/zinc/99/79/76/1073997976.db2.gz HFYYQXXMUASTDN-AWEZNQCLSA-N 1 2 401.492 1.271 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)c1C ZINC000543526421 1074006052 /nfs/dbraw/zinc/00/60/52/1074006052.db2.gz PHOFPACTTZMFHU-UHFFFAOYSA-N 1 2 409.450 1.588 20 0 HDADLO O=C(Nc1cccc(Cl)c1Oc1cccnc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543525648 1074008145 /nfs/dbraw/zinc/00/81/45/1074008145.db2.gz DBCPNABVVPJTIH-UHFFFAOYSA-N 1 2 404.854 1.602 20 0 HDADLO CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000543529373 1074009033 /nfs/dbraw/zinc/00/90/33/1074009033.db2.gz KIPVWLIXBLCQLU-UHFFFAOYSA-N 1 2 424.929 1.333 20 0 HDADLO O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527167 1074011852 /nfs/dbraw/zinc/01/18/52/1074011852.db2.gz MAQXTNNFGNCYBQ-GDLZYMKVSA-N 1 2 415.515 1.069 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c1C ZINC000543529664 1074021331 /nfs/dbraw/zinc/02/13/31/1074021331.db2.gz RIKOWWWPLCLCMQ-UHFFFAOYSA-N 1 2 410.474 1.932 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)s[nH]2)c1 ZINC000543532831 1074031723 /nfs/dbraw/zinc/03/17/23/1074031723.db2.gz NYIVNHFJQWAAFV-CYBMUJFWSA-N 1 2 403.508 1.565 20 0 HDADLO CC(C)N1C[C@H](NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000429191877 1074035226 /nfs/dbraw/zinc/03/52/26/1074035226.db2.gz FHNJQLZCAPQHBA-GOSISDBHSA-N 1 2 401.511 1.398 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000429193313 1074037672 /nfs/dbraw/zinc/03/76/72/1074037672.db2.gz UOCTZSOLYFAWID-GJZGRUSLSA-N 1 2 413.540 1.509 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000429193313 1074037678 /nfs/dbraw/zinc/03/76/78/1074037678.db2.gz UOCTZSOLYFAWID-GJZGRUSLSA-N 1 2 413.540 1.509 20 0 HDADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2CN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000429191965 1074041861 /nfs/dbraw/zinc/04/18/61/1074041861.db2.gz GAZAKIKXKAWVRK-HUUCEWRRSA-N 1 2 410.540 1.309 20 0 HDADLO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ncc(C)s2)cc1S(=O)(=O)N(C)C ZINC000543541120 1074054911 /nfs/dbraw/zinc/05/49/11/1074054911.db2.gz CWFQISUGIXWYFD-LBPRGKRZSA-N 1 2 412.537 2.000 20 0 HDADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000543558551 1074090759 /nfs/dbraw/zinc/09/07/59/1074090759.db2.gz FLHPMDFCZGWXDK-MRXNPFEDSA-N 1 2 410.921 1.140 20 0 HDADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000543558551 1074090767 /nfs/dbraw/zinc/09/07/67/1074090767.db2.gz FLHPMDFCZGWXDK-MRXNPFEDSA-N 1 2 410.921 1.140 20 0 HDADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000543555905 1074092093 /nfs/dbraw/zinc/09/20/93/1074092093.db2.gz YKMTWGBYTSVGME-IUODEOHRSA-N 1 2 415.275 1.635 20 0 HDADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000543555905 1074092098 /nfs/dbraw/zinc/09/20/98/1074092098.db2.gz YKMTWGBYTSVGME-IUODEOHRSA-N 1 2 415.275 1.635 20 0 HDADLO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000484995607 1074183264 /nfs/dbraw/zinc/18/32/64/1074183264.db2.gz MBGQMZXAFMVQPT-QGZVFWFLSA-N 1 2 409.552 1.566 20 0 HDADLO Cc1cc(C)c(NC(=O)CCC[N@H+](C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000484995607 1074183273 /nfs/dbraw/zinc/18/32/73/1074183273.db2.gz MBGQMZXAFMVQPT-QGZVFWFLSA-N 1 2 409.552 1.566 20 0 HDADLO C[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccncc1 ZINC000674184077 1074216525 /nfs/dbraw/zinc/21/65/25/1074216525.db2.gz GEEDUNSAWZRLPR-KRWDZBQOSA-N 1 2 411.510 1.344 20 0 HDADLO C[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccncc1 ZINC000674184077 1074216531 /nfs/dbraw/zinc/21/65/31/1074216531.db2.gz GEEDUNSAWZRLPR-KRWDZBQOSA-N 1 2 411.510 1.344 20 0 HDADLO CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202881 1074218078 /nfs/dbraw/zinc/21/80/78/1074218078.db2.gz XJVMTAAEOIHCLM-HNNXBMFYSA-N 1 2 404.492 1.867 20 0 HDADLO O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202588 1074218097 /nfs/dbraw/zinc/21/80/97/1074218097.db2.gz TXZAVGXVQUVXID-QZTJIDSGSA-N 1 2 411.462 1.803 20 0 HDADLO Cc1ccccc1[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000674225403 1074233961 /nfs/dbraw/zinc/23/39/61/1074233961.db2.gz VCFNXMKLOGENPL-HXUWFJFHSA-N 1 2 424.501 1.171 20 0 HDADLO COc1nc(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)ncc1Br ZINC000674308538 1074267303 /nfs/dbraw/zinc/26/73/03/1074267303.db2.gz ZOPSOZCODRKZQE-UHFFFAOYSA-N 1 2 409.288 1.573 20 0 HDADLO Cc1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)ccc1F ZINC000038530814 1074284422 /nfs/dbraw/zinc/28/44/22/1074284422.db2.gz QMUPZTMRXQSWRX-UHFFFAOYSA-N 1 2 421.498 1.272 20 0 HDADLO Cc1cc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)ccc1F ZINC000038530814 1074284427 /nfs/dbraw/zinc/28/44/27/1074284427.db2.gz QMUPZTMRXQSWRX-UHFFFAOYSA-N 1 2 421.498 1.272 20 0 HDADLO O=C(CCNS(=O)(=O)C1Cc2ccccc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000674341035 1074284965 /nfs/dbraw/zinc/28/49/65/1074284965.db2.gz QODIBKBIZCIMDA-UHFFFAOYSA-N 1 2 414.531 1.207 20 0 HDADLO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674368534 1074298577 /nfs/dbraw/zinc/29/85/77/1074298577.db2.gz PKTAHIMPGHCKLP-QFBILLFUSA-N 1 2 405.539 1.254 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccnc1OCc1ccccc1 ZINC000674381910 1074306519 /nfs/dbraw/zinc/30/65/19/1074306519.db2.gz ZTHMTNPRJLICIJ-GOSISDBHSA-N 1 2 400.479 1.817 20 0 HDADLO C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1noc(Cc2ccccc2)n1 ZINC000674390014 1074307845 /nfs/dbraw/zinc/30/78/45/1074307845.db2.gz RZMCLSUDTJTZHD-DOTOQJQBSA-N 1 2 408.462 1.898 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O ZINC000674467223 1074364839 /nfs/dbraw/zinc/36/48/39/1074364839.db2.gz CSHRIGGCZUKSDY-MRXNPFEDSA-N 1 2 408.886 1.146 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O ZINC000674467223 1074364847 /nfs/dbraw/zinc/36/48/47/1074364847.db2.gz CSHRIGGCZUKSDY-MRXNPFEDSA-N 1 2 408.886 1.146 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)Cc3ccccc3Br)CCN2C1=O ZINC000674468264 1074365102 /nfs/dbraw/zinc/36/51/02/1074365102.db2.gz NLKNDMDBPYMZRF-HNNXBMFYSA-N 1 2 423.311 1.376 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)Cc3ccccc3Br)CCN2C1=O ZINC000674468264 1074365109 /nfs/dbraw/zinc/36/51/09/1074365109.db2.gz NLKNDMDBPYMZRF-HNNXBMFYSA-N 1 2 423.311 1.376 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCOc3ccc(C(C)C)cc3)CCN2C1=O ZINC000674500401 1074392507 /nfs/dbraw/zinc/39/25/07/1074392507.db2.gz BBGYXFWCCMWHBT-SFHVURJKSA-N 1 2 402.495 1.273 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCOc3ccc(C(C)C)cc3)CCN2C1=O ZINC000674500401 1074392514 /nfs/dbraw/zinc/39/25/14/1074392514.db2.gz BBGYXFWCCMWHBT-SFHVURJKSA-N 1 2 402.495 1.273 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3ccccc3COC(C)C)CCN2C1=O ZINC000674501853 1074397282 /nfs/dbraw/zinc/39/72/82/1074397282.db2.gz SCOZNBVQKOMGKJ-SFHVURJKSA-N 1 2 402.495 1.196 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3ccccc3COC(C)C)CCN2C1=O ZINC000674501853 1074397291 /nfs/dbraw/zinc/39/72/91/1074397291.db2.gz SCOZNBVQKOMGKJ-SFHVURJKSA-N 1 2 402.495 1.196 20 0 HDADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495319 1074404178 /nfs/dbraw/zinc/40/41/78/1074404178.db2.gz FEEOMODJQHKUFX-CQSZACIVSA-N 1 2 410.565 1.611 20 0 HDADLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674495319 1074404183 /nfs/dbraw/zinc/40/41/83/1074404183.db2.gz FEEOMODJQHKUFX-CQSZACIVSA-N 1 2 410.565 1.611 20 0 HDADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1c(Br)nc2n1CCC2 ZINC001626101020 1074416330 /nfs/dbraw/zinc/41/63/30/1074416330.db2.gz MLXXWWNFHVRYDN-UHFFFAOYSA-N 1 2 413.316 1.203 20 0 HDADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nc(C(F)(F)F)cs1 ZINC000674526464 1074418313 /nfs/dbraw/zinc/41/83/13/1074418313.db2.gz NPGCBJHEFPUCDD-VXGBXAGGSA-N 1 2 420.457 1.662 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC000674554931 1074437769 /nfs/dbraw/zinc/43/77/69/1074437769.db2.gz AWXNZDPBOJMGAD-CALCHBBNSA-N 1 2 424.567 1.795 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC000674554931 1074437775 /nfs/dbraw/zinc/43/77/75/1074437775.db2.gz AWXNZDPBOJMGAD-CALCHBBNSA-N 1 2 424.567 1.795 20 0 HDADLO COC[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000674628381 1074492760 /nfs/dbraw/zinc/49/27/60/1074492760.db2.gz QXXUKPUMDURWSW-IAGOWNOFSA-N 1 2 404.515 1.102 20 0 HDADLO COC[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000674628381 1074492765 /nfs/dbraw/zinc/49/27/65/1074492765.db2.gz QXXUKPUMDURWSW-IAGOWNOFSA-N 1 2 404.515 1.102 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000674645317 1074502998 /nfs/dbraw/zinc/50/29/98/1074502998.db2.gz MHZYXVZDPJPTCT-UHFFFAOYSA-N 1 2 423.374 1.952 20 0 HDADLO COC(=O)c1cc(Br)cc(OS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000766066189 1074547086 /nfs/dbraw/zinc/54/70/86/1074547086.db2.gz JAXGMUZSOCKPBM-UHFFFAOYSA-N 1 2 422.297 1.667 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN([C@@H](C)C(=O)N4CCCC4)CC3)[nH+]c12 ZINC000674780223 1074554298 /nfs/dbraw/zinc/55/42/98/1074554298.db2.gz JLFHPKCZGGSWSE-SFHVURJKSA-N 1 2 412.538 1.523 20 0 HDADLO O=C(Nc1cccn(Cc2ccccc2)c1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674892095 1074609045 /nfs/dbraw/zinc/60/90/45/1074609045.db2.gz NDWMPVQJNJEGRE-SFHVURJKSA-N 1 2 405.458 1.895 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN3CCO[C@@H]([C@@H]4CCCO4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000674913521 1074618822 /nfs/dbraw/zinc/61/88/22/1074618822.db2.gz BQDVOCLGZZFHOA-RBUKOAKNSA-N 1 2 417.554 1.437 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674921297 1074622567 /nfs/dbraw/zinc/62/25/67/1074622567.db2.gz CORFCNCEFKZCPQ-LEWJYISDSA-N 1 2 419.522 1.487 20 0 HDADLO O=C(C[NH+]1CCC(NC(=O)N2CCC(OCCCO)CC2)CC1)Nc1ccccc1 ZINC000674972974 1074649133 /nfs/dbraw/zinc/64/91/33/1074649133.db2.gz UCXPEJVTKSQGOA-UHFFFAOYSA-N 1 2 418.538 1.663 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccn(CC(F)(F)F)c3=O)[nH+]c12 ZINC000674992784 1074666931 /nfs/dbraw/zinc/66/69/31/1074666931.db2.gz JZVMPWSOGMXWFC-UHFFFAOYSA-N 1 2 421.379 1.664 20 0 HDADLO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)nn1-c1ccc(F)cc1F ZINC000569032985 1074708743 /nfs/dbraw/zinc/70/87/43/1074708743.db2.gz XRUFZTNGAPGYLQ-OAHLLOKOSA-N 1 2 414.416 2.285 20 0 HDADLO CC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000675088342 1074711848 /nfs/dbraw/zinc/71/18/48/1074711848.db2.gz JDCIBCAIEVUSJB-UHFFFAOYSA-N 1 2 423.583 1.803 20 0 HDADLO COC(=O)CCc1nnc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)s1 ZINC000522987937 1074720905 /nfs/dbraw/zinc/72/09/05/1074720905.db2.gz XBDZYCQBOLMQDR-UHFFFAOYSA-N 1 2 419.507 1.872 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@H]2COc3c2cccc3Cl)CC1 ZINC000675121259 1074725046 /nfs/dbraw/zinc/72/50/46/1074725046.db2.gz GHCORBBVHOVWHG-HNNXBMFYSA-N 1 2 413.869 1.982 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000618494501 1074740913 /nfs/dbraw/zinc/74/09/13/1074740913.db2.gz NMFSJBINJGIXDC-UHFFFAOYSA-N 1 2 418.501 1.749 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1nnc(-c2ccccc2)s1 ZINC000548154809 1074741022 /nfs/dbraw/zinc/74/10/22/1074741022.db2.gz CNTXEAORQGVTJA-UHFFFAOYSA-N 1 2 410.507 1.939 20 0 HDADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nn(C3CCCCC3)cc2C)CC1 ZINC000543222558 1074741814 /nfs/dbraw/zinc/74/18/14/1074741814.db2.gz NIQQRGYBMKZJFP-INIZCTEOSA-N 1 2 419.526 1.731 20 0 HDADLO CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615973 1074748728 /nfs/dbraw/zinc/74/87/28/1074748728.db2.gz ZIYRQFTZRJDQQX-GOSISDBHSA-N 1 2 416.526 1.334 20 0 HDADLO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000670494438 1074749349 /nfs/dbraw/zinc/74/93/49/1074749349.db2.gz AANXLKCUPQPRQI-MRXNPFEDSA-N 1 2 414.333 1.975 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC(C)(C)[C@H]2CCCCO2)CC1 ZINC000675206509 1074757005 /nfs/dbraw/zinc/75/70/05/1074757005.db2.gz YNVKLAMDQXUWBC-MRXNPFEDSA-N 1 2 401.515 1.790 20 0 HDADLO O=C(c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675217952 1074759360 /nfs/dbraw/zinc/75/93/60/1074759360.db2.gz BAGTVHLJFLRLKC-IAGOWNOFSA-N 1 2 413.474 1.008 20 0 HDADLO O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675220088 1074761436 /nfs/dbraw/zinc/76/14/36/1074761436.db2.gz ZYPNGIANUVGORR-SFHVURJKSA-N 1 2 407.536 1.454 20 0 HDADLO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219967 1074761978 /nfs/dbraw/zinc/76/19/78/1074761978.db2.gz UPHVZJFCGHEMJI-WMLDXEAASA-N 1 2 422.323 1.735 20 0 HDADLO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219476 1074762726 /nfs/dbraw/zinc/76/27/26/1074762726.db2.gz CBPFZQFBIZPLJK-IAGOWNOFSA-N 1 2 422.323 1.735 20 0 HDADLO CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[NH+]([C@H]3CCOC3)CC1)C2=O ZINC000675219368 1074762866 /nfs/dbraw/zinc/76/28/66/1074762866.db2.gz SIEVHLHDZIFALK-JQHMZKTJSA-N 1 2 420.554 1.446 20 0 HDADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCN(c4cnccn4)CC3)n2)CC1 ZINC000052464844 1074767996 /nfs/dbraw/zinc/76/79/96/1074767996.db2.gz PWZAFZIXLZQQBT-UHFFFAOYSA-N 1 2 415.567 1.926 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000675252124 1074769268 /nfs/dbraw/zinc/76/92/68/1074769268.db2.gz SPGRUOXYQNWKAR-SFHVURJKSA-N 1 2 405.524 1.768 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000675252124 1074769276 /nfs/dbraw/zinc/76/92/76/1074769276.db2.gz SPGRUOXYQNWKAR-SFHVURJKSA-N 1 2 405.524 1.768 20 0 HDADLO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280041 1074784317 /nfs/dbraw/zinc/78/43/17/1074784317.db2.gz BOQQNOGOCSYTQV-MRXNPFEDSA-N 1 2 409.552 1.619 20 0 HDADLO C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000675281410 1074786587 /nfs/dbraw/zinc/78/65/87/1074786587.db2.gz QTMJETIUKSKOMM-PKOBYXMFSA-N 1 2 421.563 1.796 20 0 HDADLO O=C(NCc1cccc(Cn2cccn2)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438323529 1074812165 /nfs/dbraw/zinc/81/21/65/1074812165.db2.gz WIZNWTCMEAQLCO-UHFFFAOYSA-N 1 2 409.494 1.782 20 0 HDADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000498650211 1074814966 /nfs/dbraw/zinc/81/49/66/1074814966.db2.gz SDYOCDYHXRKHBN-UHFFFAOYSA-N 1 2 419.485 1.959 20 0 HDADLO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)COc3cc(C)ccc3Cl)CC2)no1 ZINC000541591115 1075117311 /nfs/dbraw/zinc/11/73/11/1075117311.db2.gz KZWSCUGBLDBFNB-INIZCTEOSA-N 1 2 422.913 1.941 20 0 HDADLO CN(CC(=O)N1CCCC1)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000143890757 1075148888 /nfs/dbraw/zinc/14/88/88/1075148888.db2.gz WFMKARKRBWDLHZ-UHFFFAOYSA-N 1 2 402.476 1.577 20 0 HDADLO CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000482235906 1075160510 /nfs/dbraw/zinc/16/05/10/1075160510.db2.gz FUHRJYKRECNRKU-IBGZPJMESA-N 1 2 413.522 1.681 20 0 HDADLO CCCc1cc(=O)n2nc(NCC3([NH+]4CCOCC4)CC(OCC)C3)sc2n1 ZINC000443958252 1075164781 /nfs/dbraw/zinc/16/47/81/1075164781.db2.gz FGHVITNYGPDRJC-UHFFFAOYSA-N 1 2 407.540 1.785 20 0 HDADLO C[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000675488174 1075173674 /nfs/dbraw/zinc/17/36/74/1075173674.db2.gz LHRLVQWVLHNNBR-UHFFFAOYSA-N 1 2 423.452 1.764 20 0 HDADLO C[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000675488174 1075173677 /nfs/dbraw/zinc/17/36/77/1075173677.db2.gz LHRLVQWVLHNNBR-UHFFFAOYSA-N 1 2 423.452 1.764 20 0 HDADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC001005738238 1075181506 /nfs/dbraw/zinc/18/15/06/1075181506.db2.gz NWYUJMSYAQZBOL-FGSPNWDHSA-N 1 2 401.482 1.698 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C1(C(=O)Nc2ccc(F)cc2)CC1 ZINC000521313640 1075185750 /nfs/dbraw/zinc/18/57/50/1075185750.db2.gz WPJGVLGGRZVWFM-UHFFFAOYSA-N 1 2 401.442 1.712 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(OCC2CCCC2)CC1 ZINC000435168581 1075186469 /nfs/dbraw/zinc/18/64/69/1075186469.db2.gz MRFRUMNNMPTBSJ-UHFFFAOYSA-N 1 2 405.543 2.418 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000438328560 1075188966 /nfs/dbraw/zinc/18/89/66/1075188966.db2.gz SVYJXPXCMXSZGM-QGZVFWFLSA-N 1 2 403.458 2.390 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCN(c2ccccc2F)C1 ZINC000432960754 1075189083 /nfs/dbraw/zinc/18/90/83/1075189083.db2.gz PQLROESUMJGBGC-INIZCTEOSA-N 1 2 402.474 1.755 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000426992956 1075189753 /nfs/dbraw/zinc/18/97/53/1075189753.db2.gz VDAKAKIROHTAEB-INIZCTEOSA-N 1 2 412.412 1.776 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000461104083 1075190493 /nfs/dbraw/zinc/19/04/93/1075190493.db2.gz RBIQFQAFVLMHSJ-QGZVFWFLSA-N 1 2 417.897 1.860 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000521802099 1075190515 /nfs/dbraw/zinc/19/05/15/1075190515.db2.gz LZVASLGRBJFJJR-HNNXBMFYSA-N 1 2 417.897 1.860 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(N2CCNC2=O)ccc1Cl ZINC000461114176 1075190827 /nfs/dbraw/zinc/19/08/27/1075190827.db2.gz YXEDYEMOIFGSSC-UHFFFAOYSA-N 1 2 418.885 1.651 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675569008 1075207865 /nfs/dbraw/zinc/20/78/65/1075207865.db2.gz JDQWWDUXLJJMDF-KRWDZBQOSA-N 1 2 404.515 1.128 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675569009 1075208089 /nfs/dbraw/zinc/20/80/89/1075208089.db2.gz JDQWWDUXLJJMDF-QGZVFWFLSA-N 1 2 404.515 1.128 20 0 HDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675574021 1075209187 /nfs/dbraw/zinc/20/91/87/1075209187.db2.gz ILWLLMIMMCVSPZ-LEWJYISDSA-N 1 2 414.550 1.978 20 0 HDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675574021 1075209190 /nfs/dbraw/zinc/20/91/90/1075209190.db2.gz ILWLLMIMMCVSPZ-LEWJYISDSA-N 1 2 414.550 1.978 20 0 HDADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)no1 ZINC000532178689 1075224596 /nfs/dbraw/zinc/22/45/96/1075224596.db2.gz BQSYSXBMQLYPSI-XHSDSOJGSA-N 1 2 410.540 1.803 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000429365647 1075233961 /nfs/dbraw/zinc/23/39/61/1075233961.db2.gz JKUUTJUNQOHHIX-UHFFFAOYSA-N 1 2 402.470 1.942 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000429365647 1075233968 /nfs/dbraw/zinc/23/39/68/1075233968.db2.gz JKUUTJUNQOHHIX-UHFFFAOYSA-N 1 2 402.470 1.942 20 0 HDADLO CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000675610884 1075245026 /nfs/dbraw/zinc/24/50/26/1075245026.db2.gz SODJFCRUDSOQRR-KRWDZBQOSA-N 1 2 423.579 1.677 20 0 HDADLO COC(=O)[C@H]1CC[N@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)[C@H]1C(C)C ZINC000429372069 1075255425 /nfs/dbraw/zinc/25/54/25/1075255425.db2.gz KQZVJHPVDAEECV-BQFCYCMXSA-N 1 2 402.557 1.178 20 0 HDADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)[C@H]1C(C)C ZINC000429372069 1075255430 /nfs/dbraw/zinc/25/54/30/1075255430.db2.gz KQZVJHPVDAEECV-BQFCYCMXSA-N 1 2 402.557 1.178 20 0 HDADLO CC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000675701760 1075256271 /nfs/dbraw/zinc/25/62/71/1075256271.db2.gz FCVLMBUCUAGMRK-RTBURBONSA-N 1 2 402.495 1.367 20 0 HDADLO CCN1CCc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc21 ZINC000675702190 1075256947 /nfs/dbraw/zinc/25/69/47/1075256947.db2.gz XSFOEOVRBXSMEM-OALUTQOASA-N 1 2 400.523 1.767 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675832011 1075279911 /nfs/dbraw/zinc/27/99/11/1075279911.db2.gz CLUJRUOBDCXHOZ-IBGZPJMESA-N 1 2 410.522 1.916 20 0 HDADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC001687504939 1075288177 /nfs/dbraw/zinc/28/81/77/1075288177.db2.gz UIUAIFUGVZKAIJ-WELJNPPOSA-N 1 2 406.552 1.826 20 0 HDADLO CCOC(=O)[C@]1(C(C)C)CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000444903291 1075292589 /nfs/dbraw/zinc/29/25/89/1075292589.db2.gz XOJIALGPAHPIHL-HXUWFJFHSA-N 1 2 407.515 1.658 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCOC3(CCCC3)C2)CC1 ZINC000675934787 1075296449 /nfs/dbraw/zinc/29/64/49/1075296449.db2.gz VLFSEUSKONJUDR-UHFFFAOYSA-N 1 2 414.506 1.184 20 0 HDADLO Cc1cc(=O)oc2cc(OCC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)ccc12 ZINC000731337207 1075308629 /nfs/dbraw/zinc/30/86/29/1075308629.db2.gz XMJQQPSWZIXGKO-UHFFFAOYSA-N 1 2 412.446 1.648 20 0 HDADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(n3cccn3)CC2)C1=O ZINC000731353951 1075317040 /nfs/dbraw/zinc/31/70/40/1075317040.db2.gz ZKJHRKTXAGAMIU-NRFANRHFSA-N 1 2 410.478 1.409 20 0 HDADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000429386745 1075318969 /nfs/dbraw/zinc/31/89/69/1075318969.db2.gz NJTRUGFZIYLWTE-OALUTQOASA-N 1 2 419.957 1.867 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N(CCO)CCc1ccccc1 ZINC000676050031 1075332627 /nfs/dbraw/zinc/33/26/27/1075332627.db2.gz UNCFFFPOYAXHEK-UHFFFAOYSA-N 1 2 410.518 1.574 20 0 HDADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)c1 ZINC000448489760 1075343992 /nfs/dbraw/zinc/34/39/92/1075343992.db2.gz ITUCJIUDJJEPHS-UHFFFAOYSA-N 1 2 409.412 2.037 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCN(c3nccn(C)c3=O)CC2)cc1F ZINC000466711139 1075344091 /nfs/dbraw/zinc/34/40/91/1075344091.db2.gz RGXDUNDSBBCLBI-OAHLLOKOSA-N 1 2 417.485 1.097 20 0 HDADLO CN(CC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21)C1=NS(=O)(=O)c2ccccc21 ZINC000731465086 1075356837 /nfs/dbraw/zinc/35/68/37/1075356837.db2.gz BXDFFVDNBNXNHQ-INIZCTEOSA-N 1 2 412.515 1.587 20 0 HDADLO CCOc1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1OC ZINC000438321378 1075369359 /nfs/dbraw/zinc/36/93/59/1075369359.db2.gz LYLNPKBFXKTFSY-UHFFFAOYSA-N 1 2 403.483 1.944 20 0 HDADLO O=C(Nc1cnn(-c2ccccc2F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676092961 1075377010 /nfs/dbraw/zinc/37/70/10/1075377010.db2.gz NVFWIAOJUCZLIO-MRXNPFEDSA-N 1 2 401.442 1.273 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000676102663 1075382719 /nfs/dbraw/zinc/38/27/19/1075382719.db2.gz AOILGUWGBOWGJM-INIZCTEOSA-N 1 2 414.506 1.231 20 0 HDADLO C[C@@]1(c2cccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2)NC(=O)NC1=O ZINC000676109061 1075385213 /nfs/dbraw/zinc/38/52/13/1075385213.db2.gz BBQUKLNMUYJZKW-QFIPXVFZSA-N 1 2 403.442 1.916 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000804092372 1075391557 /nfs/dbraw/zinc/39/15/57/1075391557.db2.gz JQZVZZDHCMTNAC-RBSFLKMASA-N 1 2 405.499 1.266 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)n2)cc1 ZINC000426946421 1075405341 /nfs/dbraw/zinc/40/53/41/1075405341.db2.gz VIWRSFZKDCOJFD-KRWDZBQOSA-N 1 2 420.473 1.669 20 0 HDADLO Cc1cc(N)nc(SCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000031745853 1075416521 /nfs/dbraw/zinc/41/65/21/1075416521.db2.gz KIKLHCWNDAWBGA-UHFFFAOYSA-N 1 2 418.498 1.381 20 0 HDADLO Cc1nc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1-c1ccccc1 ZINC000731622175 1075416929 /nfs/dbraw/zinc/41/69/29/1075416929.db2.gz MTILOLORAPAAGY-UHFFFAOYSA-N 1 2 419.489 1.439 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(F)(F)Oc2ccc(C=O)cc2)CC1 ZINC000731648712 1075429440 /nfs/dbraw/zinc/42/94/40/1075429440.db2.gz GQASTPNIPDSIAO-UHFFFAOYSA-N 1 2 404.435 1.096 20 0 HDADLO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000551731208 1075429971 /nfs/dbraw/zinc/42/99/71/1075429971.db2.gz PNRVGQLNTNASKY-CRAIPNDOSA-N 1 2 419.432 2.042 20 0 HDADLO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000551731208 1075429978 /nfs/dbraw/zinc/42/99/78/1075429978.db2.gz PNRVGQLNTNASKY-CRAIPNDOSA-N 1 2 419.432 2.042 20 0 HDADLO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648672 1075430414 /nfs/dbraw/zinc/43/04/14/1075430414.db2.gz RHTXPOAPYYPVOZ-INIZCTEOSA-N 1 2 415.581 1.128 20 0 HDADLO COc1ccc(Cl)cc1NCCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650501 1075430774 /nfs/dbraw/zinc/43/07/74/1075430774.db2.gz PDQUCUMNGAZEQR-UHFFFAOYSA-N 1 2 417.959 1.776 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1 ZINC000731650117 1075432208 /nfs/dbraw/zinc/43/22/08/1075432208.db2.gz BUAXNNJPICSHEF-UHFFFAOYSA-N 1 2 423.564 1.336 20 0 HDADLO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731651214 1075433576 /nfs/dbraw/zinc/43/35/76/1075433576.db2.gz YUDOHXGFJOGBPD-KSSFIOAISA-N 1 2 407.536 1.520 20 0 HDADLO Cc1ccc(C)n1-c1nc(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cs1 ZINC000731650950 1075434890 /nfs/dbraw/zinc/43/48/90/1075434890.db2.gz UIECHYYPCGIFRF-UHFFFAOYSA-N 1 2 424.592 1.718 20 0 HDADLO COc1cc(Br)c(CNC[C@](C)(O)C[NH+]2CCOCC2)c(OC)c1 ZINC000676200800 1075434999 /nfs/dbraw/zinc/43/49/99/1075434999.db2.gz UVZUDPBYSMXAOM-KRWDZBQOSA-N 1 2 403.317 1.639 20 0 HDADLO CC(=O)N(CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000731650623 1075435344 /nfs/dbraw/zinc/43/53/44/1075435344.db2.gz JEEKUOYHQVMIEB-UHFFFAOYSA-N 1 2 409.552 1.050 20 0 HDADLO CN(CCCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000731650530 1075435723 /nfs/dbraw/zinc/43/57/23/1075435723.db2.gz QVMVVLBAAIFJRS-UHFFFAOYSA-N 1 2 405.561 1.259 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000676241571 1075443647 /nfs/dbraw/zinc/44/36/47/1075443647.db2.gz QTNBURSLSHPTEO-LRDDRELGSA-N 1 2 400.501 1.297 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000676241571 1075443649 /nfs/dbraw/zinc/44/36/49/1075443649.db2.gz QTNBURSLSHPTEO-LRDDRELGSA-N 1 2 400.501 1.297 20 0 HDADLO C[C@H]1Cc2ccccc2N1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685902 1075448448 /nfs/dbraw/zinc/44/84/48/1075448448.db2.gz KYINXODBYDRPDZ-INIZCTEOSA-N 1 2 408.568 1.246 20 0 HDADLO Cc1ccc2c(CCNC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c[nH]c2c1 ZINC000731686540 1075448890 /nfs/dbraw/zinc/44/88/90/1075448890.db2.gz CBTWKKZYCIQVLI-UHFFFAOYSA-N 1 2 406.552 1.827 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCC(CNc3cc[nH+]c(C)n3)CC2)cc1OC ZINC000462840217 1075449959 /nfs/dbraw/zinc/44/99/59/1075449959.db2.gz QBDIOOBTYHUUIM-UHFFFAOYSA-N 1 2 406.508 2.315 20 0 HDADLO C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257908 1075452765 /nfs/dbraw/zinc/45/27/65/1075452765.db2.gz NTKGWLYJJMEDLV-KXBFYZLASA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257908 1075452770 /nfs/dbraw/zinc/45/27/70/1075452770.db2.gz NTKGWLYJJMEDLV-KXBFYZLASA-N 1 2 403.504 1.936 20 0 HDADLO CC(C)(C)c1nnc(C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)o1 ZINC000731664576 1075453042 /nfs/dbraw/zinc/45/30/42/1075453042.db2.gz NMMNSXMQNIQQAJ-UHFFFAOYSA-N 1 2 421.523 1.865 20 0 HDADLO CCCOC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000731676810 1075460912 /nfs/dbraw/zinc/46/09/12/1075460912.db2.gz WIDKSZGMXZHAMB-UHFFFAOYSA-N 1 2 411.524 1.084 20 0 HDADLO Cc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n(Cc2ccccc2)n1 ZINC000731679686 1075462655 /nfs/dbraw/zinc/46/26/55/1075462655.db2.gz LBBATFZPUVYIOJ-UHFFFAOYSA-N 1 2 419.551 1.870 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1cccnc1OC(C)C ZINC000676263413 1075462781 /nfs/dbraw/zinc/46/27/81/1075462781.db2.gz AIYKZYQJYFYJKR-UHFFFAOYSA-N 1 2 413.478 1.664 20 0 HDADLO CCN(CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccc(C)c1 ZINC000731680616 1075463294 /nfs/dbraw/zinc/46/32/94/1075463294.db2.gz QFHGBRJWADSNBH-UHFFFAOYSA-N 1 2 410.584 1.630 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(-n3cccn3)cc2)CC1 ZINC000731682804 1075467039 /nfs/dbraw/zinc/46/70/39/1075467039.db2.gz XDJAJASDLDQHKF-UHFFFAOYSA-N 1 2 405.524 1.181 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC1CCN(CC(F)F)CC1 ZINC000676270405 1075473801 /nfs/dbraw/zinc/47/38/01/1075473801.db2.gz NMYYKWQMYOBCAV-UHFFFAOYSA-N 1 2 411.453 1.011 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1OCCc2ccccc21 ZINC000676271289 1075473842 /nfs/dbraw/zinc/47/38/42/1075473842.db2.gz OOUMXIRZMOSGBF-LJQANCHMSA-N 1 2 410.474 1.595 20 0 HDADLO O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429421700 1075499320 /nfs/dbraw/zinc/49/93/20/1075499320.db2.gz VQWNNHGERDRCJC-HZPDHXFCSA-N 1 2 404.492 1.972 20 0 HDADLO CCC[N@H+](C)[C@@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccc(Cl)cc1 ZINC000804128630 1075501719 /nfs/dbraw/zinc/50/17/19/1075501719.db2.gz ZTXRUUPKEQIJMX-INIZCTEOSA-N 1 2 402.886 1.924 20 0 HDADLO CCC[N@@H+](C)[C@@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccc(Cl)cc1 ZINC000804128630 1075501724 /nfs/dbraw/zinc/50/17/24/1075501724.db2.gz ZTXRUUPKEQIJMX-INIZCTEOSA-N 1 2 402.886 1.924 20 0 HDADLO CC(C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731751590 1075507617 /nfs/dbraw/zinc/50/76/17/1075507617.db2.gz TURSXKKVGSRLLO-UHFFFAOYSA-N 1 2 410.540 1.912 20 0 HDADLO CC(C)(C)NC(=O)c1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731753222 1075509736 /nfs/dbraw/zinc/50/97/36/1075509736.db2.gz FHISTUPPCCGGIG-UHFFFAOYSA-N 1 2 424.567 1.845 20 0 HDADLO CC(C)n1ncc2cc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cnc21 ZINC000731753106 1075509803 /nfs/dbraw/zinc/50/98/03/1075509803.db2.gz XIBWNYPLAPVMEY-UHFFFAOYSA-N 1 2 408.528 1.643 20 0 HDADLO COC(=O)Nc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1F ZINC000731752934 1075510158 /nfs/dbraw/zinc/51/01/58/1075510158.db2.gz FBSUAWQRPJDZFQ-UHFFFAOYSA-N 1 2 416.475 1.635 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000731754065 1075510849 /nfs/dbraw/zinc/51/08/49/1075510849.db2.gz JZQKTFLNKNCETQ-UHFFFAOYSA-N 1 2 405.524 1.562 20 0 HDADLO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676341126 1075513675 /nfs/dbraw/zinc/51/36/75/1075513675.db2.gz OHWADURQWKPMJN-HFSMHLIXSA-N 1 2 401.507 1.538 20 0 HDADLO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(OC)c1 ZINC000676340818 1075513930 /nfs/dbraw/zinc/51/39/30/1075513930.db2.gz KZNWTEOLQOVQKW-LPHOPBHVSA-N 1 2 417.506 1.242 20 0 HDADLO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OCC(=O)NC(C)C ZINC000676341285 1075514373 /nfs/dbraw/zinc/51/43/73/1075514373.db2.gz KWSVIIKRCRWEOV-QGZVFWFLSA-N 1 2 405.495 1.145 20 0 HDADLO CC(C)(C)OC(=O)C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761334 1075515236 /nfs/dbraw/zinc/51/52/36/1075515236.db2.gz GKPPPUSLRBPPTD-UHFFFAOYSA-N 1 2 417.572 1.259 20 0 HDADLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)c2)cc1 ZINC000676343002 1075515592 /nfs/dbraw/zinc/51/55/92/1075515592.db2.gz UNWBDEFDEXOXPR-GOSISDBHSA-N 1 2 403.504 1.580 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000731765452 1075518863 /nfs/dbraw/zinc/51/88/63/1075518863.db2.gz RCWNHXZYFNMBFU-UHFFFAOYSA-N 1 2 422.334 1.557 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000731765102 1075518890 /nfs/dbraw/zinc/51/88/90/1075518890.db2.gz OJDMXLVUXRHIPB-UHFFFAOYSA-N 1 2 422.334 1.557 20 0 HDADLO Cc1ccc(Cl)cc1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731764930 1075519223 /nfs/dbraw/zinc/51/92/23/1075519223.db2.gz KILWCDLRIADIFS-UHFFFAOYSA-N 1 2 401.916 1.212 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676332502 1075522628 /nfs/dbraw/zinc/52/26/28/1075522628.db2.gz NPDUMDJGPBZTIE-GWCFXTLKSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676332502 1075522634 /nfs/dbraw/zinc/52/26/34/1075522634.db2.gz NPDUMDJGPBZTIE-GWCFXTLKSA-N 1 2 401.364 1.874 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCc3ccc(F)cc3C2)CC1 ZINC000676362002 1075523910 /nfs/dbraw/zinc/52/39/10/1075523910.db2.gz PHQQCKQKHCRSLI-UHFFFAOYSA-N 1 2 424.476 1.737 20 0 HDADLO O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731827856 1075525916 /nfs/dbraw/zinc/52/59/16/1075525916.db2.gz CJLDIQDIYSGMGR-SFTDATJTSA-N 1 2 411.502 1.170 20 0 HDADLO COc1ccc(C(=O)NCC[NH+]2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cc1 ZINC000731846669 1075530055 /nfs/dbraw/zinc/53/00/55/1075530055.db2.gz PBZCTUPIWKYNAN-UHFFFAOYSA-N 1 2 420.517 1.824 20 0 HDADLO Cc1ccc(-n2cnnc2SCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000676387239 1075534186 /nfs/dbraw/zinc/53/41/86/1075534186.db2.gz DESACTOHQIBTDL-GOSISDBHSA-N 1 2 401.536 1.909 20 0 HDADLO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676387639 1075534685 /nfs/dbraw/zinc/53/46/85/1075534685.db2.gz GFPUYZUCRHHQSO-OALUTQOASA-N 1 2 406.502 1.583 20 0 HDADLO C[C@H](Sc1ncccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCC1 ZINC000676389881 1075535137 /nfs/dbraw/zinc/53/51/37/1075535137.db2.gz RQBOHWVXYMJBRO-DLBZAZTESA-N 1 2 418.563 1.731 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N(C)Cc3ncnn3CC(F)F)c2)cc[nH+]1 ZINC000428847675 1075535140 /nfs/dbraw/zinc/53/51/40/1075535140.db2.gz HATMDWOYBONQBV-UHFFFAOYSA-N 1 2 401.421 2.526 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)c2)cc[nH+]1 ZINC000544522336 1075536252 /nfs/dbraw/zinc/53/62/52/1075536252.db2.gz HHLBYAWXRJIFMD-SFHVURJKSA-N 1 2 417.535 1.941 20 0 HDADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2csc(Nc3ccccc3)n2)CC1 ZINC000597989037 1075562636 /nfs/dbraw/zinc/56/26/36/1075562636.db2.gz ILLTUWZJAGFEPU-KRWDZBQOSA-N 1 2 415.563 2.252 20 0 HDADLO COc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1S(=O)(=O)NC1CC1 ZINC000429439855 1075563700 /nfs/dbraw/zinc/56/37/00/1075563700.db2.gz GEDKTAGOOGLHEW-CQSZACIVSA-N 1 2 405.480 1.469 20 0 HDADLO COc1cc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cc(OC)c1 ZINC000676494776 1075565244 /nfs/dbraw/zinc/56/52/44/1075565244.db2.gz GPETWJCTGFWYQP-UHFFFAOYSA-N 1 2 406.508 1.793 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cc2c(c(Cl)c1)OCO2 ZINC000731964316 1075578020 /nfs/dbraw/zinc/57/80/20/1075578020.db2.gz YFSNFTNGVZQRKI-INIZCTEOSA-N 1 2 424.881 1.825 20 0 HDADLO C[C@@H]1COCCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000676541541 1075580350 /nfs/dbraw/zinc/58/03/50/1075580350.db2.gz SVJOEDLBWOLVGU-SJORKVTESA-N 1 2 404.515 1.102 20 0 HDADLO C[C@@H]1COCCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000676541541 1075580355 /nfs/dbraw/zinc/58/03/55/1075580355.db2.gz SVJOEDLBWOLVGU-SJORKVTESA-N 1 2 404.515 1.102 20 0 HDADLO CC(=O)C(C)(C)CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000676529645 1075582813 /nfs/dbraw/zinc/58/28/13/1075582813.db2.gz YXVJLPHSCHRBPH-QGZVFWFLSA-N 1 2 403.527 1.794 20 0 HDADLO CC(=O)C(C)(C)CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000676529645 1075582816 /nfs/dbraw/zinc/58/28/16/1075582816.db2.gz YXVJLPHSCHRBPH-QGZVFWFLSA-N 1 2 403.527 1.794 20 0 HDADLO O=C(NC[C@H]1CCc2ccccc2C1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000676551256 1075584246 /nfs/dbraw/zinc/58/42/46/1075584246.db2.gz ABODMBZVWWGIJF-KRWDZBQOSA-N 1 2 411.506 1.075 20 0 HDADLO C[C@@H](c1c(F)cccc1F)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448509146 1075599117 /nfs/dbraw/zinc/59/91/17/1075599117.db2.gz ZTJZIYCYGBEQED-AWEZNQCLSA-N 1 2 421.448 1.652 20 0 HDADLO C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448496826 1075600499 /nfs/dbraw/zinc/60/04/99/1075600499.db2.gz RHZKGFXXDDPZTJ-HNNXBMFYSA-N 1 2 419.913 2.027 20 0 HDADLO O=C(NCCC1CCN(CC(F)(F)F)CC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676601280 1075609692 /nfs/dbraw/zinc/60/96/92/1075609692.db2.gz FGLFYVZLCBAAJU-INIZCTEOSA-N 1 2 415.460 1.827 20 0 HDADLO Cc1csc([C@H](C)CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000543680466 1075614205 /nfs/dbraw/zinc/61/42/05/1075614205.db2.gz SNKJDDSIQFZMMQ-OAHLLOKOSA-N 1 2 416.551 1.988 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)CC1 ZINC000732121138 1075629648 /nfs/dbraw/zinc/62/96/48/1075629648.db2.gz CXGPFXBIHRGTDW-UHFFFAOYSA-N 1 2 422.485 1.886 20 0 HDADLO O=C(NCc1cc2c(cc1OC(F)F)OCO2)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676669316 1075637703 /nfs/dbraw/zinc/63/77/03/1075637703.db2.gz PLCZCGRCJVOBKG-CYBMUJFWSA-N 1 2 422.388 1.693 20 0 HDADLO O=C(CNC(=O)OCC(F)(F)F)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732166050 1075644026 /nfs/dbraw/zinc/64/40/26/1075644026.db2.gz SNTCJMITEWYJDT-HNNXBMFYSA-N 1 2 403.401 1.335 20 0 HDADLO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nc(N)nc(Nc3ccccc3CC)n1)CC2 ZINC000532571567 1075652013 /nfs/dbraw/zinc/65/20/13/1075652013.db2.gz GFLGWQDBPOAHGZ-ZWKOTPCHSA-N 1 2 412.538 1.934 20 0 HDADLO COc1ccc(CN(C)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000676687739 1075652494 /nfs/dbraw/zinc/65/24/94/1075652494.db2.gz HYYPOQMKOUZJMK-UHFFFAOYSA-N 1 2 412.494 1.366 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+]2CCCOC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000676711737 1075657766 /nfs/dbraw/zinc/65/77/66/1075657766.db2.gz WEUPWRCMUHVREO-INIZCTEOSA-N 1 2 411.524 1.065 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+]2CCCOC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000676711737 1075657770 /nfs/dbraw/zinc/65/77/70/1075657770.db2.gz WEUPWRCMUHVREO-INIZCTEOSA-N 1 2 411.524 1.065 20 0 HDADLO CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000676725916 1075661890 /nfs/dbraw/zinc/66/18/90/1075661890.db2.gz TVFLPPDYFGRRSQ-OCCSQVGLSA-N 1 2 401.558 1.530 20 0 HDADLO CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000676725916 1075661894 /nfs/dbraw/zinc/66/18/94/1075661894.db2.gz TVFLPPDYFGRRSQ-OCCSQVGLSA-N 1 2 401.558 1.530 20 0 HDADLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000732206398 1075664581 /nfs/dbraw/zinc/66/45/81/1075664581.db2.gz XTCJANBGDRILQZ-HOTGVXAUSA-N 1 2 424.567 1.252 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000732210491 1075667592 /nfs/dbraw/zinc/66/75/92/1075667592.db2.gz KUPCGJPUBJOXEU-GOSISDBHSA-N 1 2 400.523 1.781 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000732210491 1075667594 /nfs/dbraw/zinc/66/75/94/1075667594.db2.gz KUPCGJPUBJOXEU-GOSISDBHSA-N 1 2 400.523 1.781 20 0 HDADLO O=C(NCCN1C(=O)CSC1=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732243357 1075678284 /nfs/dbraw/zinc/67/82/84/1075678284.db2.gz PHZDNTUVWBCCKZ-LBPRGKRZSA-N 1 2 412.462 1.924 20 0 HDADLO O=C(NCCN1C(=O)CSC1=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732243357 1075678286 /nfs/dbraw/zinc/67/82/86/1075678286.db2.gz PHZDNTUVWBCCKZ-LBPRGKRZSA-N 1 2 412.462 1.924 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732247628 1075679809 /nfs/dbraw/zinc/67/98/09/1075679809.db2.gz JITAPOOIFJIQOB-CYBMUJFWSA-N 1 2 404.483 1.168 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732247628 1075679810 /nfs/dbraw/zinc/67/98/10/1075679810.db2.gz JITAPOOIFJIQOB-CYBMUJFWSA-N 1 2 404.483 1.168 20 0 HDADLO CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(OCCC(=O)NC)CC2)n1 ZINC000494927887 1075683922 /nfs/dbraw/zinc/68/39/22/1075683922.db2.gz BRHYGVSUZIRLBE-UHFFFAOYSA-N 1 2 413.526 1.299 20 0 HDADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(=O)NCCc1ccccc1 ZINC000732230304 1075684345 /nfs/dbraw/zinc/68/43/45/1075684345.db2.gz BITOZFDEPCKPMZ-MRXNPFEDSA-N 1 2 424.954 1.653 20 0 HDADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(=O)NC1CCCCC1 ZINC000732230941 1075684383 /nfs/dbraw/zinc/68/43/83/1075684383.db2.gz XHYOFRKBKZXOJM-CQSZACIVSA-N 1 2 402.948 1.743 20 0 HDADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001079013510 1075688362 /nfs/dbraw/zinc/68/83/62/1075688362.db2.gz OPYYQUZNEIXECO-KKEPMVJESA-N 1 2 400.523 1.926 20 0 HDADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429269107 1075753298 /nfs/dbraw/zinc/75/32/98/1075753298.db2.gz UOUDSQOZCNPBNK-CYBMUJFWSA-N 1 2 405.480 1.469 20 0 HDADLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(CN2C(=O)N[C@H](CC(C)C)C2=O)CC1 ZINC000732473748 1075756455 /nfs/dbraw/zinc/75/64/55/1075756455.db2.gz RQAMGAQRAWULPI-GOSISDBHSA-N 1 2 412.538 1.993 20 0 HDADLO COc1ccc([C@@H](O)CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000732476528 1075757225 /nfs/dbraw/zinc/75/72/25/1075757225.db2.gz MZZPNKHNRCROAX-IRLDBZIGSA-N 1 2 413.518 1.971 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000514136556 1075759523 /nfs/dbraw/zinc/75/95/23/1075759523.db2.gz RJPXGGDIYOHOMX-HNNXBMFYSA-N 1 2 408.510 1.556 20 0 HDADLO CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000476516658 1075767767 /nfs/dbraw/zinc/76/77/67/1075767767.db2.gz NUAVFZBMNCQQJR-UHFFFAOYSA-N 1 2 423.876 1.605 20 0 HDADLO C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(-n2ccnn2)cc1 ZINC000534486698 1075769744 /nfs/dbraw/zinc/76/97/44/1075769744.db2.gz SJBPMPNAGNAWMA-INIZCTEOSA-N 1 2 410.482 1.679 20 0 HDADLO Nc1nsc(N2CC[NH+](C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)n1 ZINC000544071098 1075771802 /nfs/dbraw/zinc/77/18/02/1075771802.db2.gz NBHNNWWZHDTEEU-LLVKDONJSA-N 1 2 403.430 1.701 20 0 HDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1 ZINC001063210732 1075783982 /nfs/dbraw/zinc/78/39/82/1075783982.db2.gz CVQOZGVIZHUHRG-MJTDYWNISA-N 1 2 424.545 1.732 20 0 HDADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000732592426 1075790777 /nfs/dbraw/zinc/79/07/77/1075790777.db2.gz KBAHKVQGWXLWOA-KRWDZBQOSA-N 1 2 423.970 1.917 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000483587588 1075797780 /nfs/dbraw/zinc/79/77/80/1075797780.db2.gz UJKGVMSSIYYFEL-XJKSGUPXSA-N 1 2 413.375 1.927 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000483587588 1075797785 /nfs/dbraw/zinc/79/77/85/1075797785.db2.gz UJKGVMSSIYYFEL-XJKSGUPXSA-N 1 2 413.375 1.927 20 0 HDADLO Cc1nc(N(C)C)nc(NCC[C@H]2CCCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]1 ZINC001063859140 1075803231 /nfs/dbraw/zinc/80/32/31/1075803231.db2.gz JFSLAWMLZDPINN-ZXXIGWHRSA-N 1 2 400.527 1.853 20 0 HDADLO CCN(CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000804254832 1075808201 /nfs/dbraw/zinc/80/82/01/1075808201.db2.gz RXGHTKZKMJFTDI-UHFFFAOYSA-N 1 2 418.538 1.704 20 0 HDADLO C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC(C)(C)C1 ZINC000447331983 1075811668 /nfs/dbraw/zinc/81/16/68/1075811668.db2.gz JDCQINGCZBAGJT-ZWKOTPCHSA-N 1 2 419.570 2.123 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658455 1075818607 /nfs/dbraw/zinc/81/86/07/1075818607.db2.gz CGHILHPIVBXMOX-QGZVFWFLSA-N 1 2 415.462 1.083 20 0 HDADLO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000611076811 1075828815 /nfs/dbraw/zinc/82/88/15/1075828815.db2.gz HWXZBIMRPLBHBZ-AQNXPRMDSA-N 1 2 407.603 1.691 20 0 HDADLO O=C(NCCCNc1cccc[nH+]1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000732675524 1075829197 /nfs/dbraw/zinc/82/91/97/1075829197.db2.gz FBPXLPYDKBDVHZ-UHFFFAOYSA-N 1 2 423.461 1.744 20 0 HDADLO CNC(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1Cl ZINC000470348077 1075836812 /nfs/dbraw/zinc/83/68/12/1075836812.db2.gz ZRJRQBYSABRVPJ-UHFFFAOYSA-N 1 2 406.874 1.872 20 0 HDADLO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000611098323 1075843041 /nfs/dbraw/zinc/84/30/41/1075843041.db2.gz YKJVYPJSCLKFLU-OAHLLOKOSA-N 1 2 401.467 1.810 20 0 HDADLO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000611098323 1075843044 /nfs/dbraw/zinc/84/30/44/1075843044.db2.gz YKJVYPJSCLKFLU-OAHLLOKOSA-N 1 2 401.467 1.810 20 0 HDADLO O=C(c1cncc(I)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611131616 1075848339 /nfs/dbraw/zinc/84/83/39/1075848339.db2.gz WJJOFXZSDSWZED-AWEZNQCLSA-N 1 2 401.248 1.623 20 0 HDADLO CC(C)Oc1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1C(N)=O ZINC000433689750 1075855806 /nfs/dbraw/zinc/85/58/06/1075855806.db2.gz QNQPQJGBLYHALS-UHFFFAOYSA-N 1 2 416.482 1.745 20 0 HDADLO CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nn1 ZINC000551753180 1075860892 /nfs/dbraw/zinc/86/08/92/1075860892.db2.gz PQEQDAGQQMRAKW-PXNSSMCTSA-N 1 2 420.473 2.444 20 0 HDADLO O=C(CN1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000732807439 1075862976 /nfs/dbraw/zinc/86/29/76/1075862976.db2.gz MZPJYZLVRZWLGV-OAQYLSRUSA-N 1 2 414.550 1.934 20 0 HDADLO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448494736 1075869148 /nfs/dbraw/zinc/86/91/48/1075869148.db2.gz GTTPSVPVDXDDTH-SQNIBIBYSA-N 1 2 405.543 1.731 20 0 HDADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732809933 1075872077 /nfs/dbraw/zinc/87/20/77/1075872077.db2.gz PZODZEFUHPCXQB-QGZVFWFLSA-N 1 2 416.522 1.381 20 0 HDADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732809933 1075872079 /nfs/dbraw/zinc/87/20/79/1075872079.db2.gz PZODZEFUHPCXQB-QGZVFWFLSA-N 1 2 416.522 1.381 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000611277913 1075890374 /nfs/dbraw/zinc/89/03/74/1075890374.db2.gz NWAIKKYIMDRFCU-QGZVFWFLSA-N 1 2 400.460 1.864 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000611323715 1075901115 /nfs/dbraw/zinc/90/11/15/1075901115.db2.gz YAABATNJFWYXJP-ZDUSSCGKSA-N 1 2 408.499 1.281 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000611323715 1075901116 /nfs/dbraw/zinc/90/11/16/1075901116.db2.gz YAABATNJFWYXJP-ZDUSSCGKSA-N 1 2 408.499 1.281 20 0 HDADLO COC(=O)C1=C(CN(C)CC[NH+]2CCOCC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000732873429 1075902201 /nfs/dbraw/zinc/90/22/01/1075902201.db2.gz WYCSVJOSSVYBSY-IBGZPJMESA-N 1 2 402.495 1.074 20 0 HDADLO COC(=O)C1=C(C[N@H+](C)CCN2CCOCC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000732873429 1075902205 /nfs/dbraw/zinc/90/22/05/1075902205.db2.gz WYCSVJOSSVYBSY-IBGZPJMESA-N 1 2 402.495 1.074 20 0 HDADLO COC(=O)C1=C(C[N@@H+](C)CCN2CCOCC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000732873429 1075902206 /nfs/dbraw/zinc/90/22/06/1075902206.db2.gz WYCSVJOSSVYBSY-IBGZPJMESA-N 1 2 402.495 1.074 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cccnc1Cl ZINC000732915406 1075911638 /nfs/dbraw/zinc/91/16/38/1075911638.db2.gz HDYRDDMMPLEGDM-AWEZNQCLSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccnc1Cl ZINC000732915406 1075911641 /nfs/dbraw/zinc/91/16/41/1075911641.db2.gz HDYRDDMMPLEGDM-AWEZNQCLSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1scnc1Cl ZINC000732914983 1075912268 /nfs/dbraw/zinc/91/22/68/1075912268.db2.gz BCYJMBBLZGDESM-GFCCVEGCSA-N 1 2 408.915 1.822 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1scnc1Cl ZINC000732914983 1075912269 /nfs/dbraw/zinc/91/22/69/1075912269.db2.gz BCYJMBBLZGDESM-GFCCVEGCSA-N 1 2 408.915 1.822 20 0 HDADLO CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916114 1075913377 /nfs/dbraw/zinc/91/33/77/1075913377.db2.gz PFMBEEYMOZTAKZ-HNNXBMFYSA-N 1 2 400.483 1.823 20 0 HDADLO CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916114 1075913380 /nfs/dbraw/zinc/91/33/80/1075913380.db2.gz PFMBEEYMOZTAKZ-HNNXBMFYSA-N 1 2 400.483 1.823 20 0 HDADLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1 ZINC000732979334 1075935425 /nfs/dbraw/zinc/93/54/25/1075935425.db2.gz MYOWFTPLSANFAD-OAHLLOKOSA-N 1 2 406.527 1.942 20 0 HDADLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1 ZINC000732979334 1075935430 /nfs/dbraw/zinc/93/54/30/1075935430.db2.gz MYOWFTPLSANFAD-OAHLLOKOSA-N 1 2 406.527 1.942 20 0 HDADLO O=S(=O)(C(F)F)N1CCC(CNc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000732983208 1075937440 /nfs/dbraw/zinc/93/74/40/1075937440.db2.gz ZJYUCZRLUPGFKP-UHFFFAOYSA-N 1 2 415.466 1.710 20 0 HDADLO CC(C)OC(=O)N1CCC(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000732996751 1075943361 /nfs/dbraw/zinc/94/33/61/1075943361.db2.gz OGRBXMBZIWBMRD-IBGZPJMESA-N 1 2 414.572 1.503 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC/C=C\c2ccccc2)CC1 ZINC000733046861 1075965342 /nfs/dbraw/zinc/96/53/42/1075965342.db2.gz BTYCTFXQDUBTEW-YFHOEESVSA-N 1 2 406.486 1.842 20 0 HDADLO CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000018045025 1075967019 /nfs/dbraw/zinc/96/70/19/1075967019.db2.gz OBCUWLVZRMQSSF-LJQANCHMSA-N 1 2 417.531 1.616 20 0 HDADLO CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000018045025 1075967021 /nfs/dbraw/zinc/96/70/21/1075967021.db2.gz OBCUWLVZRMQSSF-LJQANCHMSA-N 1 2 417.531 1.616 20 0 HDADLO CN(C)c1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(Cl)n1 ZINC000733142319 1075974648 /nfs/dbraw/zinc/97/46/48/1075974648.db2.gz ADMSUERLDKNHAB-UHFFFAOYSA-N 1 2 416.913 1.665 20 0 HDADLO CCn1c(N)c(C(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c(=O)[nH]c1=O ZINC000492372591 1075982735 /nfs/dbraw/zinc/98/27/35/1075982735.db2.gz HAPALVZVBODINT-UHFFFAOYSA-N 1 2 404.492 1.359 20 0 HDADLO Nc1c(C(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c(=O)[nH]c(=O)n1C1CC1 ZINC000492427312 1075986004 /nfs/dbraw/zinc/98/60/04/1075986004.db2.gz YVTPYYYQPAMTHZ-UHFFFAOYSA-N 1 2 416.503 1.674 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)C2)no1 ZINC000514230173 1076018911 /nfs/dbraw/zinc/01/89/11/1076018911.db2.gz WQMVHQURXBRSKM-JKSUJKDBSA-N 1 2 415.498 1.011 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)no1 ZINC000514230173 1076018919 /nfs/dbraw/zinc/01/89/19/1076018919.db2.gz WQMVHQURXBRSKM-JKSUJKDBSA-N 1 2 415.498 1.011 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000733261901 1076019446 /nfs/dbraw/zinc/01/94/46/1076019446.db2.gz CQQCRMUAZBJQQE-UHFFFAOYSA-N 1 2 409.483 1.648 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O ZINC000733298353 1076032480 /nfs/dbraw/zinc/03/24/80/1076032480.db2.gz UZZOQJQAOYZXLZ-JLTOFOAXSA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O ZINC000733298353 1076032487 /nfs/dbraw/zinc/03/24/87/1076032487.db2.gz UZZOQJQAOYZXLZ-JLTOFOAXSA-N 1 2 417.441 1.970 20 0 HDADLO COCCNC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@H](CO)C2)sc2c1CCCC2 ZINC000727102478 1076045198 /nfs/dbraw/zinc/04/51/98/1076045198.db2.gz CBWLTTCJOBVTRG-CQSZACIVSA-N 1 2 409.552 1.646 20 0 HDADLO COCCNC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@H](CO)C2)sc2c1CCCC2 ZINC000727102478 1076045200 /nfs/dbraw/zinc/04/52/00/1076045200.db2.gz CBWLTTCJOBVTRG-CQSZACIVSA-N 1 2 409.552 1.646 20 0 HDADLO Cc1cc(N2CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000733350270 1076048964 /nfs/dbraw/zinc/04/89/64/1076048964.db2.gz HXAKOGMEYBGCRD-UHFFFAOYSA-N 1 2 411.572 1.953 20 0 HDADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000727134699 1076050995 /nfs/dbraw/zinc/05/09/95/1076050995.db2.gz CEBLZGXWFPWNDV-SFHVURJKSA-N 1 2 418.538 1.979 20 0 HDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001082652029 1076061282 /nfs/dbraw/zinc/06/12/82/1076061282.db2.gz BHZYWBORCGLGSV-FXYHDGJGSA-N 1 2 402.442 1.917 20 0 HDADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000733631973 1076134158 /nfs/dbraw/zinc/13/41/58/1076134158.db2.gz SCBROJHIEDQCMQ-INIZCTEOSA-N 1 2 400.483 1.725 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000733666481 1076145949 /nfs/dbraw/zinc/14/59/49/1076145949.db2.gz RWYYVSNDVPHLFU-UHFFFAOYSA-N 1 2 423.535 1.039 20 0 HDADLO Cn1nc(Br)c2c1ncn(CC(=O)N1CCC[C@@H](c3[nH]cc[nH+]3)C1)c2=O ZINC000727736175 1076214601 /nfs/dbraw/zinc/21/46/01/1076214601.db2.gz IOJLSOQFRROKEX-SNVBAGLBSA-N 1 2 420.271 1.022 20 0 HDADLO CC(C)N1C(=O)c2ccc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)cc2S1(=O)=O ZINC000727750600 1076224340 /nfs/dbraw/zinc/22/43/40/1076224340.db2.gz CKJWITJLHQBCCS-UHFFFAOYSA-N 1 2 401.444 1.538 20 0 HDADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727755738 1076229509 /nfs/dbraw/zinc/22/95/09/1076229509.db2.gz FYQXHOWOTKRRIK-SFHVURJKSA-N 1 2 402.476 1.187 20 0 HDADLO CC1(C)CN(C(=O)C(=O)N=c2ccn(CC(F)(F)F)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000533456588 1076243158 /nfs/dbraw/zinc/24/31/58/1076243158.db2.gz KZUVLZNSOYOEGF-UHFFFAOYSA-N 1 2 423.439 1.929 20 0 HDADLO CC1(C)CN(C(=O)C(=O)N=c2ccn(CC(F)(F)F)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000533456588 1076243161 /nfs/dbraw/zinc/24/31/61/1076243161.db2.gz KZUVLZNSOYOEGF-UHFFFAOYSA-N 1 2 423.439 1.929 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000533818730 1076244728 /nfs/dbraw/zinc/24/47/28/1076244728.db2.gz HDZFKFXVNAAOIT-IBGZPJMESA-N 1 2 421.544 1.592 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000533818730 1076244731 /nfs/dbraw/zinc/24/47/31/1076244731.db2.gz HDZFKFXVNAAOIT-IBGZPJMESA-N 1 2 421.544 1.592 20 0 HDADLO CNC(=O)c1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1Cl ZINC000533828625 1076245031 /nfs/dbraw/zinc/24/50/31/1076245031.db2.gz GMDGZTSKQJTSFC-KRWDZBQOSA-N 1 2 400.866 1.941 20 0 HDADLO CNC(=O)c1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1Cl ZINC000533828625 1076245034 /nfs/dbraw/zinc/24/50/34/1076245034.db2.gz GMDGZTSKQJTSFC-KRWDZBQOSA-N 1 2 400.866 1.941 20 0 HDADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533829019 1076245104 /nfs/dbraw/zinc/24/51/04/1076245104.db2.gz PHCJIUZSONLCDF-LJQANCHMSA-N 1 2 410.474 1.443 20 0 HDADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533829019 1076245109 /nfs/dbraw/zinc/24/51/09/1076245109.db2.gz PHCJIUZSONLCDF-LJQANCHMSA-N 1 2 410.474 1.443 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534840221 1076249588 /nfs/dbraw/zinc/24/95/88/1076249588.db2.gz DVRRKOKLLVBCBC-UXHICEINSA-N 1 2 402.516 1.596 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534840221 1076249593 /nfs/dbraw/zinc/24/95/93/1076249593.db2.gz DVRRKOKLLVBCBC-UXHICEINSA-N 1 2 402.516 1.596 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1C ZINC000535274878 1076251460 /nfs/dbraw/zinc/25/14/60/1076251460.db2.gz DJXJLIVPUUHLMR-QGZVFWFLSA-N 1 2 416.503 1.145 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1C ZINC000535274878 1076251463 /nfs/dbraw/zinc/25/14/63/1076251463.db2.gz DJXJLIVPUUHLMR-QGZVFWFLSA-N 1 2 416.503 1.145 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000535278238 1076251689 /nfs/dbraw/zinc/25/16/89/1076251689.db2.gz QXOCCRQVSMCZAR-IBGZPJMESA-N 1 2 420.469 1.577 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000535278238 1076251693 /nfs/dbraw/zinc/25/16/93/1076251693.db2.gz QXOCCRQVSMCZAR-IBGZPJMESA-N 1 2 420.469 1.577 20 0 HDADLO COc1cc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc(OC)c1OC ZINC000785486213 1076253118 /nfs/dbraw/zinc/25/31/18/1076253118.db2.gz UYIYPSOYZWJRQG-OAHLLOKOSA-N 1 2 416.478 1.468 20 0 HDADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000144331849 1076256795 /nfs/dbraw/zinc/25/67/95/1076256795.db2.gz LGPZWEGFZHVZKS-UHFFFAOYSA-N 1 2 401.423 1.125 20 0 HDADLO O=C(CCCC1CC1)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709737 1076257606 /nfs/dbraw/zinc/25/76/06/1076257606.db2.gz ZNYYAKWPHZIDRJ-NHHWGVFUSA-N 1 2 401.551 1.735 20 0 HDADLO CS(=O)(=O)CCNC(=S)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903567 1076261228 /nfs/dbraw/zinc/26/12/28/1076261228.db2.gz GRBLPZJTCDMQNP-AWEZNQCLSA-N 1 2 409.499 1.788 20 0 HDADLO CS(=O)(=O)CCNC(=S)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903567 1076261234 /nfs/dbraw/zinc/26/12/34/1076261234.db2.gz GRBLPZJTCDMQNP-AWEZNQCLSA-N 1 2 409.499 1.788 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@H]3CCCOC3)CC2)cc1OC ZINC000727903420 1076279993 /nfs/dbraw/zinc/27/99/93/1076279993.db2.gz IEMBHKGTWTYURF-KRWDZBQOSA-N 1 2 420.506 1.626 20 0 HDADLO CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733985830 1076284035 /nfs/dbraw/zinc/28/40/35/1076284035.db2.gz NAVZTUSFNLOSFZ-RXNMKEHESA-N 1 2 420.560 1.978 20 0 HDADLO CC(=O)NCc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000024713874 1076346124 /nfs/dbraw/zinc/34/61/24/1076346124.db2.gz SMYQVGFIGBALQS-UHFFFAOYSA-N 1 2 401.532 1.872 20 0 HDADLO O=C(CCc1c[nH]c[nH+]1)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000497743397 1076352543 /nfs/dbraw/zinc/35/25/43/1076352543.db2.gz SFRUOHYFDNWSAW-UHFFFAOYSA-N 1 2 421.295 1.855 20 0 HDADLO O=C(CCc1c[nH+]c[nH]1)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000497743397 1076352549 /nfs/dbraw/zinc/35/25/49/1076352549.db2.gz SFRUOHYFDNWSAW-UHFFFAOYSA-N 1 2 421.295 1.855 20 0 HDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030593961 1076371143 /nfs/dbraw/zinc/37/11/43/1076371143.db2.gz LBWKHJLAYNEJFF-WBVHZDCISA-N 1 2 413.515 1.158 20 0 HDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030593961 1076371151 /nfs/dbraw/zinc/37/11/51/1076371151.db2.gz LBWKHJLAYNEJFF-WBVHZDCISA-N 1 2 413.515 1.158 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)CC2)cn1 ZINC000729989452 1076408906 /nfs/dbraw/zinc/40/89/06/1076408906.db2.gz WBBSHXLFSNTCAA-QHCPKHFHSA-N 1 2 422.533 1.669 20 0 HDADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000730017742 1076416797 /nfs/dbraw/zinc/41/67/97/1076416797.db2.gz LJEUPNZUPJOKOZ-CQSZACIVSA-N 1 2 414.491 1.292 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000730120194 1076464002 /nfs/dbraw/zinc/46/40/02/1076464002.db2.gz DQXLBMWVOCYBAC-BEFAXECRSA-N 1 2 414.572 1.503 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730213453 1076478775 /nfs/dbraw/zinc/47/87/75/1076478775.db2.gz LMFBSTDJOCLXGB-QRWLVFNGSA-N 1 2 407.511 1.503 20 0 HDADLO CS(=O)(=O)c1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1Cl ZINC000730218164 1076480052 /nfs/dbraw/zinc/48/00/52/1076480052.db2.gz DWLPUEHHPZAMCF-HNNXBMFYSA-N 1 2 413.927 1.298 20 0 HDADLO CS(=O)(=O)c1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1Cl ZINC000730218164 1076480055 /nfs/dbraw/zinc/48/00/55/1076480055.db2.gz DWLPUEHHPZAMCF-HNNXBMFYSA-N 1 2 413.927 1.298 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730208797 1076483188 /nfs/dbraw/zinc/48/31/88/1076483188.db2.gz JYOQEMPLQNRVGG-AWEZNQCLSA-N 1 2 423.452 1.204 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[NH+]3CCC(N(C)C(C)=O)CC3)C2=O)cc1 ZINC000730254161 1076499977 /nfs/dbraw/zinc/49/99/77/1076499977.db2.gz WHHDYMJKMSIBOG-OAQYLSRUSA-N 1 2 402.495 1.448 20 0 HDADLO NC(=O)C[N@@H+]1CCCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC000730277463 1076519637 /nfs/dbraw/zinc/51/96/37/1076519637.db2.gz ALZQYIFAUNVIRN-UHFFFAOYSA-N 1 2 421.567 1.832 20 0 HDADLO NC(=O)C[N@H+]1CCCN(C(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC000730277463 1076519644 /nfs/dbraw/zinc/51/96/44/1076519644.db2.gz ALZQYIFAUNVIRN-UHFFFAOYSA-N 1 2 421.567 1.832 20 0 HDADLO CCN(CCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(=O)OC(C)(C)C ZINC000804255321 1076530659 /nfs/dbraw/zinc/53/06/59/1076530659.db2.gz BZZOWMLFKIRGLP-MRXNPFEDSA-N 1 2 406.483 1.435 20 0 HDADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000730571337 1076605359 /nfs/dbraw/zinc/60/53/59/1076605359.db2.gz QHMLRWDEVGVKMU-KRWDZBQOSA-N 1 2 423.583 1.511 20 0 HDADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000730571337 1076605366 /nfs/dbraw/zinc/60/53/66/1076605366.db2.gz QHMLRWDEVGVKMU-KRWDZBQOSA-N 1 2 423.583 1.511 20 0 HDADLO CNC(=O)[C@H](NC(=O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000730571428 1076606397 /nfs/dbraw/zinc/60/63/97/1076606397.db2.gz ZMQSWQYAAHIYDK-LJQANCHMSA-N 1 2 418.538 1.921 20 0 HDADLO C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730671668 1076635005 /nfs/dbraw/zinc/63/50/05/1076635005.db2.gz MAHBJHCAKRQFEM-HOTGVXAUSA-N 1 2 408.518 1.868 20 0 HDADLO C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730671668 1076635009 /nfs/dbraw/zinc/63/50/09/1076635009.db2.gz MAHBJHCAKRQFEM-HOTGVXAUSA-N 1 2 408.518 1.868 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3=COCCC3)cc2)CC1 ZINC000730776047 1076651296 /nfs/dbraw/zinc/65/12/96/1076651296.db2.gz QCXFCSLYWZWRTJ-UHFFFAOYSA-N 1 2 401.507 1.583 20 0 HDADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@H+](C)C[C@@H]2CCCOC2)c1=O ZINC000730804463 1076655692 /nfs/dbraw/zinc/65/56/92/1076655692.db2.gz VUYQCIUSBQBGIU-HNNXBMFYSA-N 1 2 410.540 1.389 20 0 HDADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@@H+](C)C[C@@H]2CCCOC2)c1=O ZINC000730804463 1076655696 /nfs/dbraw/zinc/65/56/96/1076655696.db2.gz VUYQCIUSBQBGIU-HNNXBMFYSA-N 1 2 410.540 1.389 20 0 HDADLO O=C(NCC[NH+]1CCN(Cn2ncc3ccccc3c2=O)CC1)c1ccccc1F ZINC000731208209 1076755804 /nfs/dbraw/zinc/75/58/04/1076755804.db2.gz ZPNKSUBZJKDDGK-UHFFFAOYSA-N 1 2 409.465 1.541 20 0 HDADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000685841557 1126106497 /nfs/dbraw/zinc/10/64/97/1126106497.db2.gz UCGWAOCMRCRTMX-UKRRQHHQSA-N 1 2 406.430 1.162 20 0 HDADLO Cc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(O)c1 ZINC000436797249 559262220 /nfs/dbraw/zinc/26/22/20/559262220.db2.gz ZMXSTBOEKWIZGU-MRXNPFEDSA-N 1 2 411.506 1.277 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(=O)OC)c(Cl)cn3)CC2)C1=O ZINC001164636845 719269574 /nfs/dbraw/zinc/26/95/74/719269574.db2.gz XQFAHFHMHBRNMO-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(=O)OC)c(Cl)cn3)CC2)C1=O ZINC001164636845 719269579 /nfs/dbraw/zinc/26/95/79/719269579.db2.gz XQFAHFHMHBRNMO-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4nc(C)no4)cn3)CC2)C1=O ZINC001164644538 719280960 /nfs/dbraw/zinc/28/09/60/719280960.db2.gz NMXNFTKZEFWZGY-UHFFFAOYSA-N 1 2 400.483 1.199 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4nc(C)no4)cn3)CC2)C1=O ZINC001164644538 719280961 /nfs/dbraw/zinc/28/09/61/719280961.db2.gz NMXNFTKZEFWZGY-UHFFFAOYSA-N 1 2 400.483 1.199 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(SC)nc(SC)n3)CC2)C1=O ZINC001164644669 719284742 /nfs/dbraw/zinc/28/47/42/719284742.db2.gz PLRNBOHPSJSRMC-UHFFFAOYSA-N 1 2 411.597 1.680 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(SC)nc(SC)n3)CC2)C1=O ZINC001164644669 719284749 /nfs/dbraw/zinc/28/47/49/719284749.db2.gz PLRNBOHPSJSRMC-UHFFFAOYSA-N 1 2 411.597 1.680 20 0 HDADLO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706516 719838798 /nfs/dbraw/zinc/83/87/98/719838798.db2.gz XNKMEKHROQOCFQ-BFUOFWGJSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1C(N)=O ZINC001164698649 719840977 /nfs/dbraw/zinc/84/09/77/719840977.db2.gz GMBBTDAYGPRMEJ-ORAYPTAESA-N 1 2 410.902 1.375 20 0 HDADLO COC(=O)c1cc(Cl)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164699887 719841553 /nfs/dbraw/zinc/84/15/53/719841553.db2.gz ISEWADNDLRXVBL-LIRRHRJNSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccncc21 ZINC001164699401 719843297 /nfs/dbraw/zinc/84/32/97/719843297.db2.gz IHUGPJJESISYHR-ORAYPTAESA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cc1OC ZINC001164697309 719843419 /nfs/dbraw/zinc/84/34/19/719843419.db2.gz CMFBOJNDLDMQNP-JLTOFOAXSA-N 1 2 407.467 1.110 20 0 HDADLO CCOC(=O)Cc1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706053 719843703 /nfs/dbraw/zinc/84/37/03/719843703.db2.gz WDQRXJANJDIYJC-LAUBAEHRSA-N 1 2 405.495 1.420 20 0 HDADLO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703146 719854521 /nfs/dbraw/zinc/85/45/21/719854521.db2.gz PCJRSCXXXIFIPW-VLIAUNLRSA-N 1 2 409.458 1.548 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(=O)n(C)c2n1 ZINC001164705146 719855483 /nfs/dbraw/zinc/85/54/83/719855483.db2.gz TXRQILVDMIYSGT-IERDGZPVSA-N 1 2 400.479 1.166 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698407 719862876 /nfs/dbraw/zinc/86/28/76/719862876.db2.gz CAOOBDHLXNLCJN-HRAATJIYSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(N2CCOCC2)n1 ZINC001164698721 719862903 /nfs/dbraw/zinc/86/29/03/719862903.db2.gz DCIGFPNYYWBQEI-DYESRHJHSA-N 1 2 404.511 1.151 20 0 HDADLO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707782 719863430 /nfs/dbraw/zinc/86/34/30/719863430.db2.gz VILQFQXYXBUTGW-WTVRISBWSA-N 1 2 417.506 1.809 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)cnc21 ZINC001164701706 719864532 /nfs/dbraw/zinc/86/45/32/719864532.db2.gz GWXVQAOIKVRGTN-VBKZILBWSA-N 1 2 401.467 1.266 20 0 HDADLO COc1ccc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709360 719910713 /nfs/dbraw/zinc/91/07/13/719910713.db2.gz UNMXZWPPMDOCBT-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164708589 719921943 /nfs/dbraw/zinc/92/19/43/719921943.db2.gz MAOLQCVXPKUJHR-UHFFFAOYSA-N 1 2 417.517 1.827 20 0 HDADLO Cc1nc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C ZINC001164703225 719926850 /nfs/dbraw/zinc/92/68/50/719926850.db2.gz JJRVVHGOMIFWEO-UHFFFAOYSA-N 1 2 403.918 1.431 20 0 HDADLO Cc1cc2cccnc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709020 719932438 /nfs/dbraw/zinc/93/24/38/719932438.db2.gz WFLCMTQNJXHTNB-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3C(=O)OC)C2)C1 ZINC001164719264 720211865 /nfs/dbraw/zinc/21/18/65/720211865.db2.gz PVWITNUHTWZJPF-IBGZPJMESA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3C(=O)OC)C2)C1 ZINC001164719264 720211878 /nfs/dbraw/zinc/21/18/78/720211878.db2.gz PVWITNUHTWZJPF-IBGZPJMESA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccccc4)n3)C2)C1 ZINC001164716296 720229470 /nfs/dbraw/zinc/22/94/70/720229470.db2.gz BNIVJXYWJCNXRH-QFIPXVFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccccc4)n3)C2)C1 ZINC001164716296 720229487 /nfs/dbraw/zinc/22/94/87/720229487.db2.gz BNIVJXYWJCNXRH-QFIPXVFZSA-N 1 2 411.506 1.934 20 0 HDADLO CCOc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823291 720367054 /nfs/dbraw/zinc/36/70/54/720367054.db2.gz DHKQGPDYHXFSFT-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO CCOc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823291 720367057 /nfs/dbraw/zinc/36/70/57/720367057.db2.gz DHKQGPDYHXFSFT-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO COCc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823120 720368057 /nfs/dbraw/zinc/36/80/57/720368057.db2.gz ASRQPYXCFGLEMB-UHFFFAOYSA-N 1 2 416.551 1.701 20 0 HDADLO COCc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823120 720368063 /nfs/dbraw/zinc/36/80/63/720368063.db2.gz ASRQPYXCFGLEMB-UHFFFAOYSA-N 1 2 416.551 1.701 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164819896 720375256 /nfs/dbraw/zinc/37/52/56/720375256.db2.gz IYMWKBCHZCSXFC-UHFFFAOYSA-N 1 2 414.535 1.259 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(C(N)=O)n4)CC3)C2=O)cs1 ZINC001164819896 720375266 /nfs/dbraw/zinc/37/52/66/720375266.db2.gz IYMWKBCHZCSXFC-UHFFFAOYSA-N 1 2 414.535 1.259 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ncccc31)C2 ZINC001164826390 720436461 /nfs/dbraw/zinc/43/64/61/720436461.db2.gz WBHVCVYIWQYCMQ-MRXNPFEDSA-N 1 2 409.494 1.211 20 0 HDADLO COc1cc(Cl)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164821947 720450470 /nfs/dbraw/zinc/45/04/70/720450470.db2.gz BDNWDAVDEXQSRW-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3ccccc3nn1)C2 ZINC001164826363 720454802 /nfs/dbraw/zinc/45/48/02/720454802.db2.gz VZSIWLSYHQYCMC-SFHVURJKSA-N 1 2 408.506 1.816 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3cnccc31)C2 ZINC001164833139 720461715 /nfs/dbraw/zinc/46/17/15/720461715.db2.gz YYLKVZAZMBSEBB-GOSISDBHSA-N 1 2 408.506 1.816 20 0 HDADLO COc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164831737 720465446 /nfs/dbraw/zinc/46/54/46/720465446.db2.gz PDYVKJKRBBCXCW-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO COCCN1C[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1=O ZINC001164902689 721573087 /nfs/dbraw/zinc/57/30/87/721573087.db2.gz LFGXBMNYHBMOHP-RTBURBONSA-N 1 2 407.518 1.576 20 0 HDADLO COCCN1C[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1=O ZINC001164902689 721573097 /nfs/dbraw/zinc/57/30/97/721573097.db2.gz LFGXBMNYHBMOHP-RTBURBONSA-N 1 2 407.518 1.576 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)c(F)c3c1C(=O)NC3)C2 ZINC001165010320 721706097 /nfs/dbraw/zinc/70/60/97/721706097.db2.gz HFNXLHDQZTUZFP-UHFFFAOYSA-N 1 2 407.881 1.960 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)c(F)c3c1C(=O)NC3)C2 ZINC001165010320 721706102 /nfs/dbraw/zinc/70/61/02/721706102.db2.gz HFNXLHDQZTUZFP-UHFFFAOYSA-N 1 2 407.881 1.960 20 0 HDADLO NC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164911939 721769702 /nfs/dbraw/zinc/76/97/02/721769702.db2.gz INZHPYCNMQHXKN-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164911939 721769703 /nfs/dbraw/zinc/76/97/03/721769703.db2.gz INZHPYCNMQHXKN-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO CSc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164910161 721776375 /nfs/dbraw/zinc/77/63/75/721776375.db2.gz AHCUVWFQPXLWAL-SFHVURJKSA-N 1 2 422.942 1.750 20 0 HDADLO CSc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164910161 721776376 /nfs/dbraw/zinc/77/63/76/721776376.db2.gz AHCUVWFQPXLWAL-SFHVURJKSA-N 1 2 422.942 1.750 20 0 HDADLO COc1nc(Cl)nc(C)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917719 721782639 /nfs/dbraw/zinc/78/26/39/721782639.db2.gz YWVXQAQMPSMJHA-FQEVSTJZSA-N 1 2 419.913 1.950 20 0 HDADLO COc1nc(Cl)nc(C)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917719 721782642 /nfs/dbraw/zinc/78/26/42/721782642.db2.gz YWVXQAQMPSMJHA-FQEVSTJZSA-N 1 2 419.913 1.950 20 0 HDADLO C[C@@H]1C(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915581 721786246 /nfs/dbraw/zinc/78/62/46/721786246.db2.gz LLNQFOBCOXFULD-YCRPNKLZSA-N 1 2 410.478 1.035 20 0 HDADLO C[C@@H]1C(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915581 721786252 /nfs/dbraw/zinc/78/62/52/721786252.db2.gz LLNQFOBCOXFULD-YCRPNKLZSA-N 1 2 410.478 1.035 20 0 HDADLO COCCOc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164915773 721795666 /nfs/dbraw/zinc/79/56/66/721795666.db2.gz ZUNNFEYPBKXXLI-OAQYLSRUSA-N 1 2 415.494 1.005 20 0 HDADLO COCCOc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164915773 721795670 /nfs/dbraw/zinc/79/56/70/721795670.db2.gz ZUNNFEYPBKXXLI-OAQYLSRUSA-N 1 2 415.494 1.005 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(S(=O)(=O)N(C)C)cn2)CC1 ZINC001164918743 721818827 /nfs/dbraw/zinc/81/88/27/721818827.db2.gz SVDDCWAVQVAFMA-UHFFFAOYSA-N 1 2 404.540 1.278 20 0 HDADLO COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4[C@H](C3)OCCN4Cc3c(C)noc3C)c12 ZINC001164946582 721949403 /nfs/dbraw/zinc/94/94/03/721949403.db2.gz WFMNLOVBWUSFPZ-CVEARBPZSA-N 1 2 412.450 1.439 20 0 HDADLO CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429040547 1073459357 /nfs/dbraw/zinc/45/93/57/1073459357.db2.gz INVXKQJNIUYWHM-RBUKOAKNSA-N 1 2 409.552 1.496 20 0 HDADLO CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429040547 1073459366 /nfs/dbraw/zinc/45/93/66/1073459366.db2.gz INVXKQJNIUYWHM-RBUKOAKNSA-N 1 2 409.552 1.496 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NCc1cccnc1OCC(F)F ZINC000671395991 1073473978 /nfs/dbraw/zinc/47/39/78/1073473978.db2.gz LMDBOPNNTIWGFS-UHFFFAOYSA-N 1 2 404.417 1.474 20 0 HDADLO CCOC1CC(CNC(=O)Cn2c(C)nc3ccccc3c2=O)([NH+]2CCOCC2)C1 ZINC000509100000 1073518304 /nfs/dbraw/zinc/51/83/04/1073518304.db2.gz XDACSGMDAIBXOE-UHFFFAOYSA-N 1 2 414.506 1.091 20 0 HDADLO CS(=O)(=O)c1nc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c2ccccn21 ZINC000625183867 1073551530 /nfs/dbraw/zinc/55/15/30/1073551530.db2.gz OKYBKLJKVYJTHO-OAHLLOKOSA-N 1 2 406.508 1.065 20 0 HDADLO CS(=O)(=O)c1nc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c2ccccn21 ZINC000625183867 1073551540 /nfs/dbraw/zinc/55/15/40/1073551540.db2.gz OKYBKLJKVYJTHO-OAHLLOKOSA-N 1 2 406.508 1.065 20 0 HDADLO COC(=O)C12CCC(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)(CC1)C2 ZINC000429104147 1073588967 /nfs/dbraw/zinc/58/89/67/1073588967.db2.gz POIHQZVVJSWECJ-UHFFFAOYSA-N 1 2 400.479 1.531 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CCCC1 ZINC000673657444 1073596030 /nfs/dbraw/zinc/59/60/30/1073596030.db2.gz GECOZLKHQCBLES-UHFFFAOYSA-N 1 2 420.491 1.567 20 0 HDADLO O=C(N[C@@H](CCCO)c1ccccc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000509122946 1073601940 /nfs/dbraw/zinc/60/19/40/1073601940.db2.gz LHNNNZVPNHDEND-UXHICEINSA-N 1 2 403.523 1.330 20 0 HDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673668238 1073621008 /nfs/dbraw/zinc/62/10/08/1073621008.db2.gz JIFBAIBJUPUXFR-QGZVFWFLSA-N 1 2 404.430 1.823 20 0 HDADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c(C)c1 ZINC000509129529 1073679355 /nfs/dbraw/zinc/67/93/55/1073679355.db2.gz XJGALVLJZUJLCY-AEFFLSMTSA-N 1 2 406.508 1.354 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673746918 1073682364 /nfs/dbraw/zinc/68/23/64/1073682364.db2.gz DSXALLXKXBDTET-ZDUSSCGKSA-N 1 2 405.480 1.273 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)Cc2ccccc2O1 ZINC000429118108 1073682980 /nfs/dbraw/zinc/68/29/80/1073682980.db2.gz WQYIGUOTJFXHSV-QGZVFWFLSA-N 1 2 402.539 1.328 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)Cc2ccccc2O1 ZINC000429118108 1073682984 /nfs/dbraw/zinc/68/29/84/1073682984.db2.gz WQYIGUOTJFXHSV-QGZVFWFLSA-N 1 2 402.539 1.328 20 0 HDADLO CN1C[C@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)Cc2ccccc21 ZINC000429121691 1073691336 /nfs/dbraw/zinc/69/13/36/1073691336.db2.gz HMSGRWYAIMSRQH-LAUBAEHRSA-N 1 2 404.580 1.802 20 0 HDADLO Cn1cc(N2CCN(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000673759250 1073698855 /nfs/dbraw/zinc/69/88/55/1073698855.db2.gz FQWOJBSJEPSEKX-UHFFFAOYSA-N 1 2 411.510 1.162 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)[nH+]c12 ZINC000673768094 1073712511 /nfs/dbraw/zinc/71/25/11/1073712511.db2.gz ASCLERUNDDPHCK-AWEZNQCLSA-N 1 2 401.492 1.893 20 0 HDADLO CNS(=O)(=O)c1cccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673768942 1073713148 /nfs/dbraw/zinc/71/31/48/1073713148.db2.gz LPFSRSXETKRTAQ-UHFFFAOYSA-N 1 2 401.492 1.593 20 0 HDADLO CNS(=O)(=O)c1ccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)s1 ZINC000673770648 1073713244 /nfs/dbraw/zinc/71/32/44/1073713244.db2.gz ULFODQWHPGFWJD-UHFFFAOYSA-N 1 2 407.521 1.654 20 0 HDADLO CCN(CC)C(=O)CN1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673781198 1073716472 /nfs/dbraw/zinc/71/64/72/1073716472.db2.gz OEOHCHPRMYOVNO-UHFFFAOYSA-N 1 2 400.527 1.381 20 0 HDADLO COc1ccc(OC(C)C)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673782331 1073717653 /nfs/dbraw/zinc/71/76/53/1073717653.db2.gz BJIIPWCMGOJHJV-KRWDZBQOSA-N 1 2 405.495 1.744 20 0 HDADLO O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782269 1073718717 /nfs/dbraw/zinc/71/87/17/1073718717.db2.gz AWOWCMNPDPQNDI-SFHVURJKSA-N 1 2 400.479 1.075 20 0 HDADLO O=C(Nc1ccccc1N1CCCCC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782248 1073718753 /nfs/dbraw/zinc/71/87/53/1073718753.db2.gz ANXFXMCWVVNKAO-SFHVURJKSA-N 1 2 400.523 1.939 20 0 HDADLO O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781726 1073720653 /nfs/dbraw/zinc/72/06/53/1073720653.db2.gz GAJPEZWZSLGRLX-PMACEKPBSA-N 1 2 417.506 1.506 20 0 HDADLO O=C(Nc1ccc(Cc2ccncc2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785099 1073728899 /nfs/dbraw/zinc/72/88/99/1073728899.db2.gz NTMPWFWGZWRNHX-OAQYLSRUSA-N 1 2 408.502 1.934 20 0 HDADLO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785149 1073729455 /nfs/dbraw/zinc/72/94/55/1073729455.db2.gz OHKDQFLBXDWJGT-INIZCTEOSA-N 1 2 417.897 1.787 20 0 HDADLO CC(C)(C)NC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673785743 1073730701 /nfs/dbraw/zinc/73/07/01/1073730701.db2.gz YIOHJFXYUQMTBX-SFHVURJKSA-N 1 2 416.522 1.477 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000429129903 1073732302 /nfs/dbraw/zinc/73/23/02/1073732302.db2.gz UBEAVMSZGAKJSZ-UHFFFAOYSA-N 1 2 416.482 1.570 20 0 HDADLO CC[C@H](Sc1nc(CC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cs1)C(N)=O ZINC001128541973 1073742593 /nfs/dbraw/zinc/74/25/93/1073742593.db2.gz ZLTUBTXBVFCFPY-OCCSQVGLSA-N 1 2 400.570 1.221 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)[nH+]c12 ZINC000673788958 1073744893 /nfs/dbraw/zinc/74/48/93/1073744893.db2.gz QWDOGIZCMYKFOA-UHFFFAOYSA-N 1 2 414.487 1.485 20 0 HDADLO Cc1nc(CN2CCN(CC(=O)N3CC[NH+](Cc4cccs4)CC3)CC2)cs1 ZINC000509152807 1073759631 /nfs/dbraw/zinc/75/96/31/1073759631.db2.gz KTXIHFSXENHZTQ-UHFFFAOYSA-N 1 2 419.620 1.975 20 0 HDADLO CCN(C(C)=O)c1nc(C[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cs1 ZINC000673860964 1073829710 /nfs/dbraw/zinc/82/97/10/1073829710.db2.gz PDZMNRYUSHOBGW-OAHLLOKOSA-N 1 2 403.574 1.266 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)c1 ZINC000466544985 1073836630 /nfs/dbraw/zinc/83/66/30/1073836630.db2.gz YSJOANUXGNRVEI-UHFFFAOYSA-N 1 2 410.421 1.867 20 0 HDADLO Cc1cccc(C)c1OC[C@@H](O)CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872794 1073837315 /nfs/dbraw/zinc/83/73/15/1073837315.db2.gz YXULEAGOTOYLSH-IBGZPJMESA-N 1 2 417.510 1.394 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000673866751 1073843667 /nfs/dbraw/zinc/84/36/67/1073843667.db2.gz OXZGRZAYKHTHQO-UHFFFAOYSA-N 1 2 414.510 1.638 20 0 HDADLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000543504401 1073890454 /nfs/dbraw/zinc/89/04/54/1073890454.db2.gz CAJJBJUAZCQUSZ-QWHCGFSZSA-N 1 2 410.565 1.751 20 0 HDADLO O=C(c1cc(CO)on1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000673923964 1073895255 /nfs/dbraw/zinc/89/52/55/1073895255.db2.gz ILQCDSFFMNBTOD-UHFFFAOYSA-N 1 2 403.464 1.669 20 0 HDADLO COC[C@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccc(F)cc1 ZINC000466554626 1073896064 /nfs/dbraw/zinc/89/60/64/1073896064.db2.gz JLVDBNFNDQGWIP-KRWDZBQOSA-N 1 2 413.457 1.722 20 0 HDADLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000029930340 1073899722 /nfs/dbraw/zinc/89/97/22/1073899722.db2.gz JZTCGMIWUOPERN-UHFFFAOYSA-N 1 2 418.519 1.381 20 0 HDADLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 ZINC000029930340 1073899729 /nfs/dbraw/zinc/89/97/29/1073899729.db2.gz JZTCGMIWUOPERN-UHFFFAOYSA-N 1 2 418.519 1.381 20 0 HDADLO CO[C@@H](CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccc(F)cc1 ZINC000466563407 1073937301 /nfs/dbraw/zinc/93/73/01/1073937301.db2.gz BFTKVCKWVOSVTB-KRWDZBQOSA-N 1 2 413.457 1.722 20 0 HDADLO COc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1F ZINC000543528403 1074013802 /nfs/dbraw/zinc/01/38/02/1074013802.db2.gz PFQLOHUSOSLLFK-UHFFFAOYSA-N 1 2 417.437 1.702 20 0 HDADLO Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527907 1074015802 /nfs/dbraw/zinc/01/58/02/1074015802.db2.gz CCIIRBHHBFAOOR-UHFFFAOYSA-N 1 2 404.692 1.486 20 0 HDADLO CCn1cnnc1-c1ccccc1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000543528542 1074018479 /nfs/dbraw/zinc/01/84/79/1074018479.db2.gz LDWPMMNEKWIHJO-OAHLLOKOSA-N 1 2 405.462 1.694 20 0 HDADLO Cc1nnc(CN2CCN(C(=O)c3cccc(CNc4cc[nH+]c(C)n4)c3)CC2)[nH]1 ZINC000543533112 1074030909 /nfs/dbraw/zinc/03/09/09/1074030909.db2.gz HGZAAUSSWAWMJI-UHFFFAOYSA-N 1 2 406.494 1.782 20 0 HDADLO CC(C)(C)OC(=O)N1CC[C@@H](CCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766048923 1074050090 /nfs/dbraw/zinc/05/00/90/1074050090.db2.gz OEOOGMPOKYKYAJ-MRXNPFEDSA-N 1 2 405.561 1.275 20 0 HDADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000543548355 1074063539 /nfs/dbraw/zinc/06/35/39/1074063539.db2.gz JJOHSCVDCJRISC-MRXNPFEDSA-N 1 2 422.576 1.776 20 0 HDADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000543554759 1074085224 /nfs/dbraw/zinc/08/52/24/1074085224.db2.gz YCQHDNFZXHJBJC-GCJKJVERSA-N 1 2 403.523 1.678 20 0 HDADLO CC(C)[C@H](NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000543554759 1074085227 /nfs/dbraw/zinc/08/52/27/1074085227.db2.gz YCQHDNFZXHJBJC-GCJKJVERSA-N 1 2 403.523 1.678 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000674025065 1074086418 /nfs/dbraw/zinc/08/64/18/1074086418.db2.gz VDCHHCNZSIBRGJ-CYBMUJFWSA-N 1 2 410.508 1.484 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1OC ZINC000674026017 1074093296 /nfs/dbraw/zinc/09/32/96/1074093296.db2.gz ZCBBKOAFJAPKKS-HNNXBMFYSA-N 1 2 404.554 1.215 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@]2(C)CCCC[C@@H]2O)CC1 ZINC000674040201 1074123112 /nfs/dbraw/zinc/12/31/12/1074123112.db2.gz LWHVJPMOZWFQPM-AVRDEDQJSA-N 1 2 416.522 1.070 20 0 HDADLO CCN(C(=O)C[NH2+][C@H](C)c1ccon1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000543573344 1074143002 /nfs/dbraw/zinc/14/30/02/1074143002.db2.gz AENXHYDKCFVGPS-CYBMUJFWSA-N 1 2 412.450 1.271 20 0 HDADLO COCCN1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214383 1074156632 /nfs/dbraw/zinc/15/66/32/1074156632.db2.gz ZSXSYQOSEYLIKC-SJLPKXTDSA-N 1 2 412.893 1.725 20 0 HDADLO COCCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214383 1074156639 /nfs/dbraw/zinc/15/66/39/1074156639.db2.gz ZSXSYQOSEYLIKC-SJLPKXTDSA-N 1 2 412.893 1.725 20 0 HDADLO Cc1nn(C)c2nc(C)c(CCC(=O)N3CC[NH+](CCn4cncn4)CC3)c(C)c12 ZINC000674095321 1074181707 /nfs/dbraw/zinc/18/17/07/1074181707.db2.gz BCZQIMXJBMKSCN-UHFFFAOYSA-N 1 2 410.526 1.262 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)c2)CC1 ZINC000674197641 1074212810 /nfs/dbraw/zinc/21/28/10/1074212810.db2.gz BFIWDSLEKCSVLZ-GOSISDBHSA-N 1 2 410.522 1.502 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000674199849 1074215626 /nfs/dbraw/zinc/21/56/26/1074215626.db2.gz YYLPMZSAGVDYHJ-MRXNPFEDSA-N 1 2 424.505 1.142 20 0 HDADLO O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674201752 1074217514 /nfs/dbraw/zinc/21/75/14/1074217514.db2.gz DCJISUPGSSWSBS-QGZVFWFLSA-N 1 2 417.491 1.225 20 0 HDADLO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)C1=O ZINC000674202519 1074218067 /nfs/dbraw/zinc/21/80/67/1074218067.db2.gz BMKQWSJVFBFZDH-INIZCTEOSA-N 1 2 410.434 1.084 20 0 HDADLO O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202740 1074218109 /nfs/dbraw/zinc/21/81/09/1074218109.db2.gz DIZNJYJNLRZZOV-INIZCTEOSA-N 1 2 413.869 1.979 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1S(=O)(=O)N(C)C ZINC000674203657 1074218976 /nfs/dbraw/zinc/21/89/76/1074218976.db2.gz NQKQPMFWXQEKSC-INIZCTEOSA-N 1 2 419.507 1.244 20 0 HDADLO CSc1cccc(S(=O)(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000509222071 1074245924 /nfs/dbraw/zinc/24/59/24/1074245924.db2.gz GDHIFXJOMPGKPP-UHFFFAOYSA-N 1 2 406.533 1.414 20 0 HDADLO CSc1ccncc1NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000674268095 1074248339 /nfs/dbraw/zinc/24/83/39/1074248339.db2.gz OZIIBRBTAPRSRD-UHFFFAOYSA-N 1 2 417.510 1.820 20 0 HDADLO CSc1ccncc1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000674266440 1074248364 /nfs/dbraw/zinc/24/83/64/1074248364.db2.gz FWNUZWLPWVHCPQ-INIZCTEOSA-N 1 2 400.504 1.759 20 0 HDADLO CSc1ccncc1NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000674266440 1074248367 /nfs/dbraw/zinc/24/83/67/1074248367.db2.gz FWNUZWLPWVHCPQ-INIZCTEOSA-N 1 2 400.504 1.759 20 0 HDADLO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674269756 1074250123 /nfs/dbraw/zinc/25/01/23/1074250123.db2.gz BRNTZEIULGTGEL-INIZCTEOSA-N 1 2 413.478 1.786 20 0 HDADLO O=C(CN1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1)N1CCCC1 ZINC000674274897 1074253927 /nfs/dbraw/zinc/25/39/27/1074253927.db2.gz GTGDAXGIQYWZGW-OAHLLOKOSA-N 1 2 416.349 1.973 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000674369089 1074298201 /nfs/dbraw/zinc/29/82/01/1074298201.db2.gz XPTAFLZROACHGG-SFHVURJKSA-N 1 2 404.507 1.421 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccnc1OCc1ccccc1 ZINC000674381911 1074306431 /nfs/dbraw/zinc/30/64/31/1074306431.db2.gz ZTHMTNPRJLICIJ-SFHVURJKSA-N 1 2 400.479 1.817 20 0 HDADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465874 1074361746 /nfs/dbraw/zinc/36/17/46/1074361746.db2.gz RETWDJNTIUNKJX-BNOWGMLFSA-N 1 2 406.401 1.485 20 0 HDADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465874 1074361751 /nfs/dbraw/zinc/36/17/51/1074361751.db2.gz RETWDJNTIUNKJX-BNOWGMLFSA-N 1 2 406.401 1.485 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CCN2C1=O ZINC000674466953 1074365255 /nfs/dbraw/zinc/36/52/55/1074365255.db2.gz AGXQPAGAZXFQQI-HUUCEWRRSA-N 1 2 410.396 1.779 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CCN2C1=O ZINC000674466953 1074365266 /nfs/dbraw/zinc/36/52/66/1074365266.db2.gz AGXQPAGAZXFQQI-HUUCEWRRSA-N 1 2 410.396 1.779 20 0 HDADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000674495174 1074404469 /nfs/dbraw/zinc/40/44/69/1074404469.db2.gz DCCYUYGTMGDFSL-GJZGRUSLSA-N 1 2 413.540 1.237 20 0 HDADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000674495174 1074404481 /nfs/dbraw/zinc/40/44/81/1074404481.db2.gz DCCYUYGTMGDFSL-GJZGRUSLSA-N 1 2 413.540 1.237 20 0 HDADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc(C(F)(F)F)cs1 ZINC000674526461 1074418372 /nfs/dbraw/zinc/41/83/72/1074418372.db2.gz NPGCBJHEFPUCDD-NEPJUHHUSA-N 1 2 420.457 1.662 20 0 HDADLO CC[C@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)C(=O)N1CCOCC1 ZINC000674647237 1074503812 /nfs/dbraw/zinc/50/38/12/1074503812.db2.gz IUVCIZVRRVFSBX-IBGZPJMESA-N 1 2 418.538 1.468 20 0 HDADLO CC(C)(C)OC(=O)NC1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000766063478 1074507921 /nfs/dbraw/zinc/50/79/21/1074507921.db2.gz TYUDIJPVLHYCRM-UHFFFAOYSA-N 1 2 405.561 1.464 20 0 HDADLO O=C(OC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766063597 1074508574 /nfs/dbraw/zinc/50/85/74/1074508574.db2.gz BRQIMLDRQNGSLR-FQEVSTJZSA-N 1 2 424.563 1.725 20 0 HDADLO COc1ccc([C@@H](CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCCC2)cc1 ZINC000674682536 1074521965 /nfs/dbraw/zinc/52/19/65/1074521965.db2.gz NDWKZYRSFQNZOT-UYAOXDASSA-N 1 2 423.579 1.457 20 0 HDADLO O=C(Nc1cccn(Cc2ccccc2)c1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674892091 1074609084 /nfs/dbraw/zinc/60/90/84/1074609084.db2.gz NDWMPVQJNJEGRE-GOSISDBHSA-N 1 2 405.458 1.895 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCC(OCCCO)CC1 ZINC000674975686 1074649401 /nfs/dbraw/zinc/64/94/01/1074649401.db2.gz JJISOJBONBKDJT-UHFFFAOYSA-N 1 2 421.538 1.471 20 0 HDADLO CCO[C@@H]1COC[C@H]1NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001128909589 1074663118 /nfs/dbraw/zinc/66/31/18/1074663118.db2.gz BKTSJYQYDLXLKJ-RTBURBONSA-N 1 2 421.538 1.933 20 0 HDADLO CCO[C@@H]1COC[C@H]1NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001128909589 1074663123 /nfs/dbraw/zinc/66/31/23/1074663123.db2.gz BKTSJYQYDLXLKJ-RTBURBONSA-N 1 2 421.538 1.933 20 0 HDADLO CC(C)c1ccc(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000533466582 1074673244 /nfs/dbraw/zinc/67/32/44/1074673244.db2.gz YADIRNQNESSKOT-UHFFFAOYSA-N 1 2 413.522 1.636 20 0 HDADLO CC(C)c1ccc(OCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438314541 1074673780 /nfs/dbraw/zinc/67/37/80/1074673780.db2.gz HWTSGPAEWFKOEF-UHFFFAOYSA-N 1 2 401.511 2.539 20 0 HDADLO Cc1cc(N2CCN(C(=O)C(=O)Nc3cc(C(C)C)on3)CC2)nc(C(C)C)[nH+]1 ZINC000441630024 1074675047 /nfs/dbraw/zinc/67/50/47/1074675047.db2.gz BRKWLKYSIASTBD-UHFFFAOYSA-N 1 2 400.483 2.307 20 0 HDADLO COc1ccc2c(c1)CCC[C@H]2CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000766089337 1074696939 /nfs/dbraw/zinc/69/69/39/1074696939.db2.gz QCAWETDJUUYNDC-KRWDZBQOSA-N 1 2 423.579 1.923 20 0 HDADLO COC(=O)CC1([NH2+]Cc2csc(Nc3ccccc3)n2)CCS(=O)(=O)CC1 ZINC000439275580 1074697390 /nfs/dbraw/zinc/69/73/90/1074697390.db2.gz LOKDKNJHAVTWQE-UHFFFAOYSA-N 1 2 409.533 2.487 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](Cc3[nH+]ccn3C)c3ccccc3)CCN2C1=O ZINC000675106298 1074722118 /nfs/dbraw/zinc/72/21/18/1074722118.db2.gz RIPMXEPGJYDHID-DLBZAZTESA-N 1 2 410.478 1.382 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670494656 1074749642 /nfs/dbraw/zinc/74/96/42/1074749642.db2.gz HXPLQWPAAAIDAF-UHFFFAOYSA-N 1 2 402.322 1.833 20 0 HDADLO Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)nn1[C@@H](C)C1CC1 ZINC000542314709 1074755544 /nfs/dbraw/zinc/75/55/44/1074755544.db2.gz JBSHVXQWDRUIHW-WMZOPIPTSA-N 1 2 405.543 1.964 20 0 HDADLO CC1(c2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)no2)CCCC1 ZINC000555833423 1074759773 /nfs/dbraw/zinc/75/97/73/1074759773.db2.gz BNEUJRMISNWHPT-CVEARBPZSA-N 1 2 404.511 2.204 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000675218934 1074760512 /nfs/dbraw/zinc/76/05/12/1074760512.db2.gz MJZMRCMYCWNFDP-LJQANCHMSA-N 1 2 421.563 1.329 20 0 HDADLO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000675218795 1074760616 /nfs/dbraw/zinc/76/06/16/1074760616.db2.gz AYTAUAJYVOOYHC-MJGOQNOKSA-N 1 2 421.563 1.796 20 0 HDADLO O=C(CSc1nncn1-c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218914 1074760708 /nfs/dbraw/zinc/76/07/08/1074760708.db2.gz KMIBLZIGYWXLND-MRXNPFEDSA-N 1 2 407.927 1.946 20 0 HDADLO COc1ccccc1[C@H](CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543617166 1074760978 /nfs/dbraw/zinc/76/09/78/1074760978.db2.gz RCDJGSFLIVCOPJ-SFHVURJKSA-N 1 2 413.478 1.333 20 0 HDADLO CC(C)CO[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000675265043 1074774846 /nfs/dbraw/zinc/77/48/46/1074774846.db2.gz HIYNNGCVYCQBPH-KRWDZBQOSA-N 1 2 416.522 1.286 20 0 HDADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550218160 1074776751 /nfs/dbraw/zinc/77/67/51/1074776751.db2.gz ZCUUBIHFJOAMDD-UHFFFAOYSA-N 1 2 403.240 1.586 20 0 HDADLO C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000675256275 1074779539 /nfs/dbraw/zinc/77/95/39/1074779539.db2.gz ZZCSDYCUMJCJSX-CABCVRRESA-N 1 2 408.480 1.220 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675258098 1074779690 /nfs/dbraw/zinc/77/96/90/1074779690.db2.gz SSARXTIUUKLWGZ-ZRGWGRIASA-N 1 2 418.519 1.862 20 0 HDADLO C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000675281406 1074786511 /nfs/dbraw/zinc/78/65/11/1074786511.db2.gz QTMJETIUKSKOMM-IEBWSBKVSA-N 1 2 421.563 1.796 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000675305376 1074795548 /nfs/dbraw/zinc/79/55/48/1074795548.db2.gz LUNGEAQQCRKDEE-MRXNPFEDSA-N 1 2 407.496 1.160 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000675305376 1074795553 /nfs/dbraw/zinc/79/55/53/1074795553.db2.gz LUNGEAQQCRKDEE-MRXNPFEDSA-N 1 2 407.496 1.160 20 0 HDADLO O=C(CN1C[C@H](CO)Oc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000675306778 1074795797 /nfs/dbraw/zinc/79/57/97/1074795797.db2.gz UHEBLYZUFOXRAP-HXUWFJFHSA-N 1 2 411.502 1.395 20 0 HDADLO COC(=O)c1c2c(sc1NC(=O)Cn1c3ccccc3[nH+]c1NCCO)CCC2 ZINC000594739629 1074798094 /nfs/dbraw/zinc/79/80/94/1074798094.db2.gz CNKBVLQVFREBDE-UHFFFAOYSA-N 1 2 414.487 2.416 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766108926 1074814486 /nfs/dbraw/zinc/81/44/86/1074814486.db2.gz OWCJZTZEXUDMBJ-PKOBYXMFSA-N 1 2 406.490 1.584 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766108926 1074814493 /nfs/dbraw/zinc/81/44/93/1074814493.db2.gz OWCJZTZEXUDMBJ-PKOBYXMFSA-N 1 2 406.490 1.584 20 0 HDADLO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC2)no1 ZINC000468869312 1075117729 /nfs/dbraw/zinc/11/77/29/1075117729.db2.gz GFAJVEYIWCALRB-UHFFFAOYSA-N 1 2 400.479 2.384 20 0 HDADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC2(CC1)OCc1ccccc12 ZINC000675400256 1075131358 /nfs/dbraw/zinc/13/13/58/1075131358.db2.gz NFCPLLFSTKEODB-LJQANCHMSA-N 1 2 413.518 1.215 20 0 HDADLO Cc1cc(NC(=O)CSCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000497789625 1075132126 /nfs/dbraw/zinc/13/21/26/1075132126.db2.gz IPAFKPSVQVHMMI-KRWDZBQOSA-N 1 2 418.519 1.672 20 0 HDADLO Cc1cc(NC(=O)CSCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000497789625 1075132128 /nfs/dbraw/zinc/13/21/28/1075132128.db2.gz IPAFKPSVQVHMMI-KRWDZBQOSA-N 1 2 418.519 1.672 20 0 HDADLO O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675423950 1075139390 /nfs/dbraw/zinc/13/93/90/1075139390.db2.gz XMYBLIFOHYOZBW-VQTJNVASSA-N 1 2 423.517 1.397 20 0 HDADLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000042384569 1075157605 /nfs/dbraw/zinc/15/76/05/1075157605.db2.gz JVQZXJPKDNRUJY-OAHLLOKOSA-N 1 2 410.921 1.676 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000499867348 1075186920 /nfs/dbraw/zinc/18/69/20/1075186920.db2.gz DMYNJKDOJHVOFZ-MRXNPFEDSA-N 1 2 414.514 1.622 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000470354733 1075189448 /nfs/dbraw/zinc/18/94/48/1075189448.db2.gz SCNALDPCUCPJMB-UHFFFAOYSA-N 1 2 418.473 1.835 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000518259844 1075190718 /nfs/dbraw/zinc/19/07/18/1075190718.db2.gz QIXQLFSPLBIYFU-UHFFFAOYSA-N 1 2 413.507 1.878 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(OCc2ccncc2)cc1 ZINC000553620365 1075191280 /nfs/dbraw/zinc/19/12/80/1075191280.db2.gz KTHUKCYKQVRXQB-UHFFFAOYSA-N 1 2 407.474 2.442 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cnn(Cc2ccccc2Cl)c1 ZINC000596037150 1075191773 /nfs/dbraw/zinc/19/17/73/1075191773.db2.gz ZULYUGLMHLQMLX-UHFFFAOYSA-N 1 2 414.897 2.366 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cnc(OCc2ccccc2)cn1 ZINC000469401994 1075191838 /nfs/dbraw/zinc/19/18/38/1075191838.db2.gz NQZHOYOVDWQIRR-UHFFFAOYSA-N 1 2 408.462 1.837 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000675583751 1075213426 /nfs/dbraw/zinc/21/34/26/1075213426.db2.gz RAZAGVUKYVSHJS-UHFFFAOYSA-N 1 2 419.482 1.848 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](Cc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000675583924 1075213433 /nfs/dbraw/zinc/21/34/33/1075213433.db2.gz XKEXNZDHHSKHKP-UHFFFAOYSA-N 1 2 408.466 1.278 20 0 HDADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000435241794 1075220165 /nfs/dbraw/zinc/22/01/65/1075220165.db2.gz WDWUQCKJJIUCMH-OAHLLOKOSA-N 1 2 414.510 1.968 20 0 HDADLO CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605282 1075221596 /nfs/dbraw/zinc/22/15/96/1075221596.db2.gz LOIBARCPZPWUBS-MRXNPFEDSA-N 1 2 401.486 1.958 20 0 HDADLO CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605282 1075221599 /nfs/dbraw/zinc/22/15/99/1075221599.db2.gz LOIBARCPZPWUBS-MRXNPFEDSA-N 1 2 401.486 1.958 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1cnn(CC(F)F)c1)c1ccccc1 ZINC000675594963 1075233039 /nfs/dbraw/zinc/23/30/39/1075233039.db2.gz BWUUSXDHNCATCP-OAHLLOKOSA-N 1 2 402.405 1.920 20 0 HDADLO CCNC(=O)c1ccc(C)c(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000470608707 1075241051 /nfs/dbraw/zinc/24/10/51/1075241051.db2.gz AJQYIHCZBDTNQO-UHFFFAOYSA-N 1 2 400.483 1.917 20 0 HDADLO O=C(N[C@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675662196 1075251055 /nfs/dbraw/zinc/25/10/55/1075251055.db2.gz BKYPCLJAYGHSFY-GJZGRUSLSA-N 1 2 410.469 1.769 20 0 HDADLO O=C(N[C@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675662196 1075251060 /nfs/dbraw/zinc/25/10/60/1075251060.db2.gz BKYPCLJAYGHSFY-GJZGRUSLSA-N 1 2 410.469 1.769 20 0 HDADLO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1C ZINC000675702164 1075256919 /nfs/dbraw/zinc/25/69/19/1075256919.db2.gz XNLZNHYHYVJXRN-RBUKOAKNSA-N 1 2 416.522 1.960 20 0 HDADLO NC(=O)CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H]1CCOc2ccccc21 ZINC001129044311 1075259805 /nfs/dbraw/zinc/25/98/05/1075259805.db2.gz ANXUURFMMPMBES-POAQFYNOSA-N 1 2 417.506 1.094 20 0 HDADLO O=C(c1c(F)cccc1F)N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000590053937 1075262288 /nfs/dbraw/zinc/26/22/88/1075262288.db2.gz KHNCEQUEOIKQSE-UHFFFAOYSA-N 1 2 413.428 2.275 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cc2c([nH]c1=O)CCC2 ZINC000675798275 1075270609 /nfs/dbraw/zinc/27/06/09/1075270609.db2.gz VEADHQTYXVQLAF-UHFFFAOYSA-N 1 2 409.490 1.416 20 0 HDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC001687504938 1075288071 /nfs/dbraw/zinc/28/80/71/1075288071.db2.gz UIUAIFUGVZKAIJ-VBZNHOPUSA-N 1 2 406.552 1.826 20 0 HDADLO CCOC1CC(CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)([NH+]2CCOCC2)C1 ZINC000470203759 1075302622 /nfs/dbraw/zinc/30/26/22/1075302622.db2.gz FCEKJANSVSNXRG-WUZYXKQASA-N 1 2 419.522 1.660 20 0 HDADLO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731334866 1075307786 /nfs/dbraw/zinc/30/77/86/1075307786.db2.gz AJELUGXYISKJJN-SSTBGOPISA-N 1 2 407.540 1.412 20 0 HDADLO O=C(C[C@H](c1ccccc1)N1CCOC1=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731336484 1075308719 /nfs/dbraw/zinc/30/87/19/1075308719.db2.gz PMAUFVQWFMGMPM-GOSISDBHSA-N 1 2 413.478 1.737 20 0 HDADLO CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731353612 1075317496 /nfs/dbraw/zinc/31/74/96/1075317496.db2.gz UYWGPVDUBSXCKO-UHFFFAOYSA-N 1 2 400.483 1.998 20 0 HDADLO CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000429386746 1075319002 /nfs/dbraw/zinc/31/90/02/1075319002.db2.gz NJTRUGFZIYLWTE-RBUKOAKNSA-N 1 2 419.957 1.867 20 0 HDADLO c1cc(-c2nnc(N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)s2)no1 ZINC000561187516 1075319896 /nfs/dbraw/zinc/31/98/96/1075319896.db2.gz YICYDMVYLFNKHG-CYBMUJFWSA-N 1 2 414.495 1.901 20 0 HDADLO c1cc(-c2nnc(N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)s2)no1 ZINC000561187516 1075319901 /nfs/dbraw/zinc/31/99/01/1075319901.db2.gz YICYDMVYLFNKHG-CYBMUJFWSA-N 1 2 414.495 1.901 20 0 HDADLO CC[C@@H](c1nnc(SCc2cc(C)n(C)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000676026897 1075328817 /nfs/dbraw/zinc/32/88/17/1075328817.db2.gz ONHHVKPVRFWSPZ-KRWDZBQOSA-N 1 2 407.588 1.957 20 0 HDADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000731405157 1075331450 /nfs/dbraw/zinc/33/14/50/1075331450.db2.gz CXMXICAUVAIHPP-UHFFFAOYSA-N 1 2 404.430 1.871 20 0 HDADLO O=C(CCC(=O)N1CCc2ccc(O)cc2CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000676046577 1075339890 /nfs/dbraw/zinc/33/98/90/1075339890.db2.gz XDNSSZMDNGKLKA-UHFFFAOYSA-N 1 2 408.502 1.843 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000731446187 1075342569 /nfs/dbraw/zinc/34/25/69/1075342569.db2.gz YKGYXKWFISOYSQ-CQSZACIVSA-N 1 2 414.466 1.281 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000731446187 1075342575 /nfs/dbraw/zinc/34/25/75/1075342575.db2.gz YKGYXKWFISOYSQ-CQSZACIVSA-N 1 2 414.466 1.281 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000491579356 1075342978 /nfs/dbraw/zinc/34/29/78/1075342978.db2.gz PUZFHFXTIPNVDZ-UHFFFAOYSA-N 1 2 405.886 1.645 20 0 HDADLO Cc1cccc(NC(=O)CSCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000521811363 1075346386 /nfs/dbraw/zinc/34/63/86/1075346386.db2.gz FDIMYONSMRXWBS-UHFFFAOYSA-N 1 2 417.535 1.834 20 0 HDADLO COC(=O)c1cn(C2CC[NH+]([C@H](C)C(=O)c3[nH]c(C)c(C(=O)OC)c3C)CC2)nn1 ZINC000546811247 1075348156 /nfs/dbraw/zinc/34/81/56/1075348156.db2.gz XYQOOYHRXMXYAQ-CYBMUJFWSA-N 1 2 417.466 1.705 20 0 HDADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C(=O)Nc2cc(C)n(C)n2)cc1 ZINC000439486139 1075368355 /nfs/dbraw/zinc/36/83/55/1075368355.db2.gz KYSMLHYUXOHXFH-UHFFFAOYSA-N 1 2 424.505 2.381 20 0 HDADLO Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000676086440 1075369640 /nfs/dbraw/zinc/36/96/40/1075369640.db2.gz BZEYDVKHJPXVLT-IBGZPJMESA-N 1 2 411.506 1.120 20 0 HDADLO O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000429396976 1075383755 /nfs/dbraw/zinc/38/37/55/1075383755.db2.gz HMWDYLXVWLGYTJ-UHFFFAOYSA-N 1 2 405.418 1.884 20 0 HDADLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035446041 1075385833 /nfs/dbraw/zinc/38/58/33/1075385833.db2.gz HOGBVOMWTZZFLD-BTOHRNCKSA-N 1 2 400.519 1.923 20 0 HDADLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035446041 1075385838 /nfs/dbraw/zinc/38/58/38/1075385838.db2.gz HOGBVOMWTZZFLD-BTOHRNCKSA-N 1 2 400.519 1.923 20 0 HDADLO CCc1cccc(OCC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035450998 1075387577 /nfs/dbraw/zinc/38/75/77/1075387577.db2.gz AAAKRJPEKZPCGH-BTOHRNCKSA-N 1 2 400.519 1.868 20 0 HDADLO CCc1cccc(OCC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035450998 1075387583 /nfs/dbraw/zinc/38/75/83/1075387583.db2.gz AAAKRJPEKZPCGH-BTOHRNCKSA-N 1 2 400.519 1.868 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000676130562 1075390738 /nfs/dbraw/zinc/39/07/38/1075390738.db2.gz YYYYSMOLGZWNHA-OAHLLOKOSA-N 1 2 406.512 1.871 20 0 HDADLO COCc1ccc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000466714593 1075396063 /nfs/dbraw/zinc/39/60/63/1075396063.db2.gz YEYBLGOYFQLZJS-FUHWJXTLSA-N 1 2 405.495 1.270 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731605728 1075397623 /nfs/dbraw/zinc/39/76/23/1075397623.db2.gz DRBOGRGHEXYXJE-UHFFFAOYSA-N 1 2 421.476 1.924 20 0 HDADLO O=C(NCCCN1CCCS1(=O)=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000676148770 1075399084 /nfs/dbraw/zinc/39/90/84/1075399084.db2.gz HLUCFEZDTVUMGE-OALUTQOASA-N 1 2 417.535 1.837 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@@H](C)O1 ZINC000509385128 1075406952 /nfs/dbraw/zinc/40/69/52/1075406952.db2.gz HDWLCBOTOHJWSG-IAGOWNOFSA-N 1 2 419.551 1.548 20 0 HDADLO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000804110985 1075410074 /nfs/dbraw/zinc/41/00/74/1075410074.db2.gz DMRBBSNZAFJWBB-OXQOHEQNSA-N 1 2 402.539 1.769 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCN(c2nc(N)ns2)CC1)c1ccccc1 ZINC000676157992 1075412662 /nfs/dbraw/zinc/41/26/62/1075412662.db2.gz ITBPFZZEGLEDSZ-OAHLLOKOSA-N 1 2 412.523 1.669 20 0 HDADLO CCN1C(=O)c2ccc(C(=O)NCCCCNc3cccc[nH+]3)cc2S1(=O)=O ZINC000731632166 1075422673 /nfs/dbraw/zinc/42/26/73/1075422673.db2.gz BQRZODBXTDSZRQ-UHFFFAOYSA-N 1 2 402.476 1.868 20 0 HDADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000552944959 1075423350 /nfs/dbraw/zinc/42/33/50/1075423350.db2.gz HDJWIPIBBWVMTJ-IBGZPJMESA-N 1 2 411.506 2.107 20 0 HDADLO Cc1sc(C(N)=O)cc1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000676184494 1075424922 /nfs/dbraw/zinc/42/49/22/1075424922.db2.gz QOUWMNOXOIGNBK-UHFFFAOYSA-N 1 2 401.492 1.618 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccccc2Br)CC1 ZINC000731648391 1075426958 /nfs/dbraw/zinc/42/69/58/1075426958.db2.gz NHAIBBUILBFVOX-UHFFFAOYSA-N 1 2 403.342 1.617 20 0 HDADLO CC(C)CC(=O)N[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731648292 1075426978 /nfs/dbraw/zinc/42/69/78/1075426978.db2.gz KEAWEVQZFCWAOC-FQEVSTJZSA-N 1 2 423.579 1.515 20 0 HDADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccc(C)cc1 ZINC000731647915 1075427658 /nfs/dbraw/zinc/42/76/58/1075427658.db2.gz FIRPBWIJEZBIOX-UHFFFAOYSA-N 1 2 404.536 1.728 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000731649400 1075428690 /nfs/dbraw/zinc/42/86/90/1075428690.db2.gz OOGURKKZCSHHGN-MRXNPFEDSA-N 1 2 407.536 1.203 20 0 HDADLO COc1cn(-c2ccccc2)nc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648808 1075429915 /nfs/dbraw/zinc/42/99/15/1075429915.db2.gz UPRIOTLKTXBQRI-UHFFFAOYSA-N 1 2 406.508 1.120 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1 ZINC000731648636 1075430302 /nfs/dbraw/zinc/43/03/02/1075430302.db2.gz PWCPIWIQSPCEPH-UHFFFAOYSA-N 1 2 408.549 1.373 20 0 HDADLO CN(C(=O)C1CC1)c1ccccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648621 1075430371 /nfs/dbraw/zinc/43/03/71/1075430371.db2.gz PLGVCHNTKAAADP-UHFFFAOYSA-N 1 2 407.536 1.298 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)o1 ZINC000676195568 1075432281 /nfs/dbraw/zinc/43/22/81/1075432281.db2.gz YOXVTEKXTNTJGB-VQIMIIECSA-N 1 2 424.505 1.777 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)o1 ZINC000676195568 1075432283 /nfs/dbraw/zinc/43/22/83/1075432283.db2.gz YOXVTEKXTNTJGB-VQIMIIECSA-N 1 2 424.505 1.777 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000731649779 1075432767 /nfs/dbraw/zinc/43/27/67/1075432767.db2.gz ZJVPHSOLEQOWAH-HWKANZROSA-N 1 2 405.314 1.681 20 0 HDADLO CC(=O)N[C@@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(C)cc1 ZINC000731651226 1075433957 /nfs/dbraw/zinc/43/39/57/1075433957.db2.gz ZPCUXGDSCVWWNH-IBGZPJMESA-N 1 2 409.552 1.188 20 0 HDADLO COc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1OCC(C)C ZINC000731651066 1075434084 /nfs/dbraw/zinc/43/40/84/1075434084.db2.gz UUVVVJQGLYIMPJ-UHFFFAOYSA-N 1 2 412.552 1.969 20 0 HDADLO CCc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccc(C)cc1 ZINC000731650907 1075434467 /nfs/dbraw/zinc/43/44/67/1075434467.db2.gz QJMXUUBSJSOMLB-UHFFFAOYSA-N 1 2 418.563 1.982 20 0 HDADLO CCCN(CC)C(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650751 1075434873 /nfs/dbraw/zinc/43/48/73/1075434873.db2.gz YKRCNLIKDJPSFU-UHFFFAOYSA-N 1 2 423.579 1.798 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000731650785 1075434976 /nfs/dbraw/zinc/43/49/76/1075434976.db2.gz ZCSGUXYOSXGIHY-UHFFFAOYSA-N 1 2 416.927 1.740 20 0 HDADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccc(F)cc1 ZINC000731650610 1075435445 /nfs/dbraw/zinc/43/54/45/1075435445.db2.gz IKTSWWMQUAZIES-UHFFFAOYSA-N 1 2 408.499 1.559 20 0 HDADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cn2c(-c3ccccn3)csc2=O)CC1 ZINC000731660209 1075440560 /nfs/dbraw/zinc/44/05/60/1075440560.db2.gz FJXRLIYNSSBKON-MRXNPFEDSA-N 1 2 415.563 1.994 20 0 HDADLO CCN1C(=S)N=NC1C1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000731641980 1075443798 /nfs/dbraw/zinc/44/37/98/1075443798.db2.gz UTCHPXNYBIAVLX-UHFFFAOYSA-N 1 2 417.583 1.938 20 0 HDADLO CN(CCCOc1ccc(F)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686416 1075446237 /nfs/dbraw/zinc/44/62/37/1075446237.db2.gz VHWJWOCBANRVQS-UHFFFAOYSA-N 1 2 415.531 1.745 20 0 HDADLO Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686238 1075446581 /nfs/dbraw/zinc/44/65/81/1075446581.db2.gz PMZUSVKRQVCSJB-UHFFFAOYSA-N 1 2 424.567 1.392 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000731686502 1075446596 /nfs/dbraw/zinc/44/65/96/1075446596.db2.gz BBFSYQNIXCTBMF-UHFFFAOYSA-N 1 2 422.526 1.884 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000731686228 1075446615 /nfs/dbraw/zinc/44/66/15/1075446615.db2.gz PACOSIRPSXUYNV-UHFFFAOYSA-N 1 2 405.467 1.596 20 0 HDADLO CN(CCOc1ccc(Cl)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686453 1075446623 /nfs/dbraw/zinc/44/66/23/1075446623.db2.gz WRCFBDQYGNOVSH-UHFFFAOYSA-N 1 2 417.959 1.869 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000676255961 1075450480 /nfs/dbraw/zinc/45/04/80/1075450480.db2.gz QARUTKCQAJYTSA-UHFFFAOYSA-N 1 2 404.492 1.445 20 0 HDADLO CCOC(=O)c1cnc2ccccc2c1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731663759 1075453104 /nfs/dbraw/zinc/45/31/04/1075453104.db2.gz VKPVMTGLFUUHNJ-UHFFFAOYSA-N 1 2 405.520 1.754 20 0 HDADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257435 1075453359 /nfs/dbraw/zinc/45/33/59/1075453359.db2.gz VAACVLRDLBNELV-BEFAXECRSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257435 1075453361 /nfs/dbraw/zinc/45/33/61/1075453361.db2.gz VAACVLRDLBNELV-BEFAXECRSA-N 1 2 403.504 1.936 20 0 HDADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000731672335 1075456355 /nfs/dbraw/zinc/45/63/55/1075456355.db2.gz OUGHMFDZBYDLBW-HNDQUVLASA-N 1 2 413.540 1.908 20 0 HDADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000731672335 1075456359 /nfs/dbraw/zinc/45/63/59/1075456359.db2.gz OUGHMFDZBYDLBW-HNDQUVLASA-N 1 2 413.540 1.908 20 0 HDADLO CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(F)cc1F ZINC000533463422 1075460688 /nfs/dbraw/zinc/46/06/88/1075460688.db2.gz PWDSOVXHCQXSKW-QGZVFWFLSA-N 1 2 421.448 1.700 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCSCc2ccccc2F)CC1 ZINC000731680480 1075462447 /nfs/dbraw/zinc/46/24/47/1075462447.db2.gz NDPGXPLRJAFEDO-UHFFFAOYSA-N 1 2 417.572 1.867 20 0 HDADLO CN(CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1F ZINC000731683074 1075466040 /nfs/dbraw/zinc/46/60/40/1075466040.db2.gz ZRORKBOXLXQCIT-UHFFFAOYSA-N 1 2 414.547 1.460 20 0 HDADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000731683786 1075467870 /nfs/dbraw/zinc/46/78/70/1075467870.db2.gz HSRROPZABAUVAI-AWEZNQCLSA-N 1 2 422.551 1.075 20 0 HDADLO C[C@H](COc1ccc(F)cc1F)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683845 1075468342 /nfs/dbraw/zinc/46/83/42/1075468342.db2.gz KAHMXVYLIDISAB-CYBMUJFWSA-N 1 2 419.494 1.540 20 0 HDADLO COc1cc(Cl)ccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731684876 1075469526 /nfs/dbraw/zinc/46/95/26/1075469526.db2.gz LZEUVOSCVNNGTB-UHFFFAOYSA-N 1 2 403.932 1.657 20 0 HDADLO Cc1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000676268462 1075472370 /nfs/dbraw/zinc/47/23/70/1075472370.db2.gz WGDMWDBNBCPJJN-UHFFFAOYSA-N 1 2 404.496 1.059 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](CO)[C@@H](C)c1ccccc1 ZINC000676274559 1075475187 /nfs/dbraw/zinc/47/51/87/1075475187.db2.gz HSEZQNUNTXKAIC-KXBFYZLASA-N 1 2 412.490 1.446 20 0 HDADLO COc1cccc(Cn2[nH]c(C)c3c(NC(=O)[C@H]4CCn5cc[nH+]c5C4)nnc2-3)c1 ZINC000439957798 1075481237 /nfs/dbraw/zinc/48/12/37/1075481237.db2.gz FJLVFTRGEJCHHB-HNNXBMFYSA-N 1 2 405.462 2.474 20 0 HDADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676289650 1075494417 /nfs/dbraw/zinc/49/44/17/1075494417.db2.gz HIDMNIZJUACGRW-UONOGXRCSA-N 1 2 401.554 1.372 20 0 HDADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676289650 1075494418 /nfs/dbraw/zinc/49/44/18/1075494418.db2.gz HIDMNIZJUACGRW-UONOGXRCSA-N 1 2 401.554 1.372 20 0 HDADLO Cc1cccn2c(CN3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)c[nH+]c12 ZINC000509402365 1075497052 /nfs/dbraw/zinc/49/70/52/1075497052.db2.gz MCCFTZUJLYHSHV-IAGOWNOFSA-N 1 2 407.540 1.114 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000731764713 1075500145 /nfs/dbraw/zinc/50/01/45/1075500145.db2.gz DNJKQWAJKUZKAI-UHFFFAOYSA-N 1 2 405.879 1.043 20 0 HDADLO Cc1ccc(CNC(=O)c2nnc(CN3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1 ZINC000676316873 1075506092 /nfs/dbraw/zinc/50/60/92/1075506092.db2.gz FRJNOWIZBYENEM-QGZVFWFLSA-N 1 2 401.536 1.683 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000731751248 1075507908 /nfs/dbraw/zinc/50/79/08/1075507908.db2.gz GRVSIMFVJWEOAE-UHFFFAOYSA-N 1 2 423.564 1.759 20 0 HDADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731750875 1075508197 /nfs/dbraw/zinc/50/81/97/1075508197.db2.gz SJYNEMROKWGBBY-RDJZCZTQSA-N 1 2 418.494 1.805 20 0 HDADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731750875 1075508205 /nfs/dbraw/zinc/50/82/05/1075508205.db2.gz SJYNEMROKWGBBY-RDJZCZTQSA-N 1 2 418.494 1.805 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000731753417 1075509492 /nfs/dbraw/zinc/50/94/92/1075509492.db2.gz YUUSANUHRLSRPN-UHFFFAOYSA-N 1 2 409.537 1.836 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000731756462 1075511878 /nfs/dbraw/zinc/51/18/78/1075511878.db2.gz SWJFRSNPIOZPIA-UHFFFAOYSA-N 1 2 408.524 1.592 20 0 HDADLO COCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340600 1075513958 /nfs/dbraw/zinc/51/39/58/1075513958.db2.gz JDZDARNUBGHRPK-GOSISDBHSA-N 1 2 400.479 1.444 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000731761432 1075514993 /nfs/dbraw/zinc/51/49/93/1075514993.db2.gz LFQKJUCONKDCLJ-GOSISDBHSA-N 1 2 413.540 1.479 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cnn(Cc3ccccc3)c2)CC1 ZINC000731761374 1075515282 /nfs/dbraw/zinc/51/52/82/1075515282.db2.gz IXQYADAISSDOTL-UHFFFAOYSA-N 1 2 405.524 1.562 20 0 HDADLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC000676341506 1075515660 /nfs/dbraw/zinc/51/56/60/1075515660.db2.gz STBUTCQSDNSZSE-IBGZPJMESA-N 1 2 421.563 1.763 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000731765114 1075519165 /nfs/dbraw/zinc/51/91/65/1075519165.db2.gz OTQJZKALGKZXIF-UHFFFAOYSA-N 1 2 421.441 1.269 20 0 HDADLO C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000676348683 1075520480 /nfs/dbraw/zinc/52/04/80/1075520480.db2.gz RAHASIPGDMQFNU-BEVDRBHNSA-N 1 2 411.502 1.985 20 0 HDADLO C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676348683 1075520485 /nfs/dbraw/zinc/52/04/85/1075520485.db2.gz RAHASIPGDMQFNU-BEVDRBHNSA-N 1 2 411.502 1.985 20 0 HDADLO O=S1(=O)CC[C@@H](SCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000731804573 1075521944 /nfs/dbraw/zinc/52/19/44/1075521944.db2.gz XFWKQEVZVJVSKP-MRXNPFEDSA-N 1 2 409.533 1.989 20 0 HDADLO CCc1ccccc1N1C[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000596034625 1075526463 /nfs/dbraw/zinc/52/64/63/1075526463.db2.gz SFGNPVPKWVCOFG-SFHVURJKSA-N 1 2 411.506 1.769 20 0 HDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676375496 1075536974 /nfs/dbraw/zinc/53/69/74/1075536974.db2.gz LZMIXVWTSNCFPB-OAHLLOKOSA-N 1 2 405.414 1.863 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)c2)cc[nH+]1 ZINC000479457442 1075538450 /nfs/dbraw/zinc/53/84/50/1075538450.db2.gz SHFLFKWGGZGJQB-UHFFFAOYSA-N 1 2 422.489 1.992 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NCc3cccc(S(N)(=O)=O)c3)c2)cc[nH+]1 ZINC000544507456 1075539194 /nfs/dbraw/zinc/53/91/94/1075539194.db2.gz UEBPRALVMFSPID-UHFFFAOYSA-N 1 2 411.487 1.975 20 0 HDADLO COc1ccc(C2(CNC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CCC2)cc1 ZINC000676424665 1075546365 /nfs/dbraw/zinc/54/63/65/1075546365.db2.gz SYCLLMKKICMRCJ-HXUWFJFHSA-N 1 2 415.534 1.556 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCCN(C)S(=O)(=O)c3cccs3)[nH+]c12 ZINC000676421170 1075549742 /nfs/dbraw/zinc/54/97/42/1075549742.db2.gz ZHETVRDXXBNIPI-UHFFFAOYSA-N 1 2 421.548 1.867 20 0 HDADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCc2cn3cccc(C)c3[nH+]2)s1 ZINC000676420915 1075549766 /nfs/dbraw/zinc/54/97/66/1075549766.db2.gz UQKDYCOCEWYCPU-UHFFFAOYSA-N 1 2 421.548 1.833 20 0 HDADLO Cc1cc(S(=O)(=O)NCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000676472585 1075563867 /nfs/dbraw/zinc/56/38/67/1075563867.db2.gz FWJBJVPQWNSSEV-OAHLLOKOSA-N 1 2 411.553 1.886 20 0 HDADLO Cc1nc([C@H](C)[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)s1 ZINC000676491219 1075564611 /nfs/dbraw/zinc/56/46/11/1075564611.db2.gz YFVYUNSWMCLCKR-AWEZNQCLSA-N 1 2 409.581 1.958 20 0 HDADLO O=C(CN1CCC[C@@H](n2cc[nH+]c2)C1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000676479060 1075565849 /nfs/dbraw/zinc/56/58/49/1075565849.db2.gz PHNILIHXVRKEEG-IAGOWNOFSA-N 1 2 422.576 1.797 20 0 HDADLO C[C@@H](c1cc(F)ccc1N1CCC(O)CC1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804161995 1075565885 /nfs/dbraw/zinc/56/58/85/1075565885.db2.gz YCRBLEKENZRFKE-SJCJKPOMSA-N 1 2 401.442 1.734 20 0 HDADLO C[C@@H](c1cc(F)ccc1N1CCC(O)CC1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804161995 1075565888 /nfs/dbraw/zinc/56/58/88/1075565888.db2.gz YCRBLEKENZRFKE-SJCJKPOMSA-N 1 2 401.442 1.734 20 0 HDADLO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CCO2 ZINC000676504836 1075571643 /nfs/dbraw/zinc/57/16/43/1075571643.db2.gz BVMNGSNHNNKRCL-IEBWSBKVSA-N 1 2 417.506 1.348 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676544364 1075581126 /nfs/dbraw/zinc/58/11/26/1075581126.db2.gz VHWKEXHCISTYSB-UHFFFAOYSA-N 1 2 405.462 1.577 20 0 HDADLO Cc1ccc(CCCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c(C)c1 ZINC000676545183 1075590681 /nfs/dbraw/zinc/59/06/81/1075590681.db2.gz HTDZJHNIROCIRK-UHFFFAOYSA-N 1 2 413.522 1.520 20 0 HDADLO Cc1nnc(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)c2)n1C ZINC000676547498 1075594186 /nfs/dbraw/zinc/59/41/86/1075594186.db2.gz OVRFMIHABSNRNW-SFHVURJKSA-N 1 2 412.494 1.052 20 0 HDADLO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000676547556 1075595154 /nfs/dbraw/zinc/59/51/54/1075595154.db2.gz SLDZNWIOPCWHRS-INIZCTEOSA-N 1 2 401.467 1.095 20 0 HDADLO CC[NH+](CC)Cc1csc(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000732061297 1075598641 /nfs/dbraw/zinc/59/86/41/1075598641.db2.gz CSLTUCBEVIGLPX-QGZVFWFLSA-N 1 2 423.583 1.637 20 0 HDADLO COc1ccc(C(=O)CNC(=O)CCC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000509423352 1075599158 /nfs/dbraw/zinc/59/91/58/1075599158.db2.gz NPEVQDFSLZXNMN-UHFFFAOYSA-N 1 2 424.501 1.955 20 0 HDADLO Cn1cc(Nc2nnc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2C)cn1 ZINC000580499553 1075605634 /nfs/dbraw/zinc/60/56/34/1075605634.db2.gz BLPLLPYSYNPBJN-UHFFFAOYSA-N 1 2 400.918 2.263 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCc2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000582322819 1075627105 /nfs/dbraw/zinc/62/71/05/1075627105.db2.gz ACJSHSATRWPSNW-CQSZACIVSA-N 1 2 401.540 1.405 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)CC1 ZINC000732121498 1075629705 /nfs/dbraw/zinc/62/97/05/1075629705.db2.gz MBFDNSMTTWKLEY-UHFFFAOYSA-N 1 2 415.531 1.649 20 0 HDADLO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC(c4n[nH]c(=O)[nH]4)CC3)CC2)C1 ZINC000676640618 1075630241 /nfs/dbraw/zinc/63/02/41/1075630241.db2.gz SHSVQEAYOGZDOF-HNNXBMFYSA-N 1 2 418.542 1.187 20 0 HDADLO COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1C ZINC000732128487 1075631474 /nfs/dbraw/zinc/63/14/74/1075631474.db2.gz YVRRIFBOPIFRAF-QGZVFWFLSA-N 1 2 407.511 1.762 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CO)(c3ccccc3)CC2)n1 ZINC000433078220 1075640490 /nfs/dbraw/zinc/64/04/90/1075640490.db2.gz RFKAEAFUEFXZIZ-UHFFFAOYSA-N 1 2 420.517 2.154 20 0 HDADLO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000732187318 1075653966 /nfs/dbraw/zinc/65/39/66/1075653966.db2.gz RJYQUVDZLBXDRE-JTSKRJEESA-N 1 2 414.506 1.897 20 0 HDADLO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000732187318 1075653968 /nfs/dbraw/zinc/65/39/68/1075653968.db2.gz RJYQUVDZLBXDRE-JTSKRJEESA-N 1 2 414.506 1.897 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000676717947 1075654623 /nfs/dbraw/zinc/65/46/23/1075654623.db2.gz QWOBUZIEIUHJJJ-KRWDZBQOSA-N 1 2 405.524 1.618 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1 ZINC000676717947 1075654624 /nfs/dbraw/zinc/65/46/24/1075654624.db2.gz QWOBUZIEIUHJJJ-KRWDZBQOSA-N 1 2 405.524 1.618 20 0 HDADLO COC(=O)CCc1nc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000732193683 1075656573 /nfs/dbraw/zinc/65/65/73/1075656573.db2.gz BPSPLCAAIBIBBK-UHFFFAOYSA-N 1 2 403.439 1.054 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676717634 1075658713 /nfs/dbraw/zinc/65/87/13/1075658713.db2.gz XSVNFSIBRRDUKH-KRWDZBQOSA-N 1 2 403.552 1.956 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676717634 1075658715 /nfs/dbraw/zinc/65/87/15/1075658715.db2.gz XSVNFSIBRRDUKH-KRWDZBQOSA-N 1 2 403.552 1.956 20 0 HDADLO COCCOC(=O)c1sc2[nH]c(C[N@H+](C)CCn3cccn3)nc(=O)c2c1C ZINC000732209809 1075666283 /nfs/dbraw/zinc/66/62/83/1075666283.db2.gz UBHOXDDCCPMAKM-UHFFFAOYSA-N 1 2 405.480 1.425 20 0 HDADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+](C)CCn3cccn3)nc(=O)c2c1C ZINC000732209809 1075666285 /nfs/dbraw/zinc/66/62/85/1075666285.db2.gz UBHOXDDCCPMAKM-UHFFFAOYSA-N 1 2 405.480 1.425 20 0 HDADLO C[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2)CC1 ZINC000676721645 1075667359 /nfs/dbraw/zinc/66/73/59/1075667359.db2.gz HEZVXWHWWZZPBJ-UHFFFAOYSA-N 1 2 423.560 1.638 20 0 HDADLO CN1CC[NH+](Cc2ccc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2)CC1 ZINC000676721645 1075667361 /nfs/dbraw/zinc/66/73/61/1075667361.db2.gz HEZVXWHWWZZPBJ-UHFFFAOYSA-N 1 2 423.560 1.638 20 0 HDADLO Cc1c([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)nnn1-c1ccc(Cl)cc1 ZINC000429460360 1075669045 /nfs/dbraw/zinc/66/90/45/1075669045.db2.gz YEHKVNLHJNSNLH-GFCCVEGCSA-N 1 2 400.936 1.712 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000676740456 1075671928 /nfs/dbraw/zinc/67/19/28/1075671928.db2.gz HUTSNVQIQHTLFR-IRXDYDNUSA-N 1 2 423.535 1.135 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000676740456 1075671930 /nfs/dbraw/zinc/67/19/30/1075671930.db2.gz HUTSNVQIQHTLFR-IRXDYDNUSA-N 1 2 423.535 1.135 20 0 HDADLO CCOC(=O)CN(C)C(=O)CN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000732197165 1075673890 /nfs/dbraw/zinc/67/38/90/1075673890.db2.gz VNSXLKKPMWULOT-UHFFFAOYSA-N 1 2 417.428 1.724 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H](c4ccco4)C3)C2=O)cc1 ZINC000732205579 1075676595 /nfs/dbraw/zinc/67/65/95/1075676595.db2.gz JWDYGBORCHURAG-SZNDQCEHSA-N 1 2 412.446 1.576 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H](c4ccco4)C3)C2=O)cc1 ZINC000732205579 1075676598 /nfs/dbraw/zinc/67/65/98/1075676598.db2.gz JWDYGBORCHURAG-SZNDQCEHSA-N 1 2 412.446 1.576 20 0 HDADLO COc1ccc(C[N@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC ZINC000028935376 1075690650 /nfs/dbraw/zinc/69/06/50/1075690650.db2.gz JZBIPRYYPLYFNO-UHFFFAOYSA-N 1 2 404.467 1.107 20 0 HDADLO COc1ccc(C[N@@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC ZINC000028935376 1075690653 /nfs/dbraw/zinc/69/06/53/1075690653.db2.gz JZBIPRYYPLYFNO-UHFFFAOYSA-N 1 2 404.467 1.107 20 0 HDADLO CCCCNc1cc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)nc(N)[nH+]1 ZINC000561281035 1075694625 /nfs/dbraw/zinc/69/46/25/1075694625.db2.gz AJPUNOXNUZUETP-CQSZACIVSA-N 1 2 410.478 1.772 20 0 HDADLO CCCCNc1cc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)[nH+]c(N)n1 ZINC000561281035 1075694633 /nfs/dbraw/zinc/69/46/33/1075694633.db2.gz AJPUNOXNUZUETP-CQSZACIVSA-N 1 2 410.478 1.772 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)[C@H]2C1 ZINC001084993241 1075699658 /nfs/dbraw/zinc/69/96/58/1075699658.db2.gz UQZUDYQPWHIHSC-LNBWEQFGSA-N 1 2 420.517 1.509 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)[C@H]2C1 ZINC001084993241 1075699660 /nfs/dbraw/zinc/69/96/60/1075699660.db2.gz UQZUDYQPWHIHSC-LNBWEQFGSA-N 1 2 420.517 1.509 20 0 HDADLO C[C@H](C(=O)NCCC1N=NC(=S)N1C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732290904 1075700311 /nfs/dbraw/zinc/70/03/11/1075700311.db2.gz IEEIJXDAMROICA-CQSZACIVSA-N 1 2 418.542 1.910 20 0 HDADLO COc1cc2nc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)nc(N)c2cc1OC ZINC000447204467 1075706301 /nfs/dbraw/zinc/70/63/01/1075706301.db2.gz SLBREYSAKVEOME-AWEZNQCLSA-N 1 2 414.510 1.362 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)c3ccoc3)cc2)CC1 ZINC000509440836 1075711549 /nfs/dbraw/zinc/71/15/49/1075711549.db2.gz YYGKFPKPKLGKKL-UHFFFAOYSA-N 1 2 421.519 1.344 20 0 HDADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000535995305 1075716326 /nfs/dbraw/zinc/71/63/26/1075716326.db2.gz DUUQVDKZKNFJJJ-AWEZNQCLSA-N 1 2 413.869 1.668 20 0 HDADLO COc1cccc([C@H](O)CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000732416182 1075739694 /nfs/dbraw/zinc/73/96/94/1075739694.db2.gz HOROEFFROOGXJD-HXUWFJFHSA-N 1 2 412.490 1.938 20 0 HDADLO CCOC(=O)N1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732440203 1075744638 /nfs/dbraw/zinc/74/46/38/1075744638.db2.gz DKTCSZJLOJLMMB-HXUWFJFHSA-N 1 2 418.538 1.850 20 0 HDADLO CN(C)c1nc2sc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)cc2s1 ZINC000596171880 1075753616 /nfs/dbraw/zinc/75/36/16/1075753616.db2.gz OHQZLQMFZPIJSY-UHFFFAOYSA-N 1 2 406.537 2.205 20 0 HDADLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(CN2C(=O)C(=O)N(C(C)C)C2=O)CC1 ZINC000732474197 1075756417 /nfs/dbraw/zinc/75/64/17/1075756417.db2.gz XFKKGNAGUZENMN-UHFFFAOYSA-N 1 2 412.494 1.225 20 0 HDADLO COc1cccc([C@H](O)CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732476348 1075757097 /nfs/dbraw/zinc/75/70/97/1075757097.db2.gz GEROVBHYBLIZEX-IFMALSPDSA-N 1 2 413.518 1.971 20 0 HDADLO Fc1ccc(N2CCN(c3cc(CNc4nccn5nnnc45)cc[nH+]3)CC2)cc1 ZINC000531141017 1075763492 /nfs/dbraw/zinc/76/34/92/1075763492.db2.gz MDOWEGHOSSHJDG-UHFFFAOYSA-N 1 2 405.441 1.992 20 0 HDADLO Nc1nc(C2CCCC2)ncc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000493247402 1075765818 /nfs/dbraw/zinc/76/58/18/1075765818.db2.gz LDIHSJIQLLUVJO-UHFFFAOYSA-N 1 2 423.521 1.580 20 0 HDADLO CCCNC(=O)CSc1nnc(S[C@@H](C)C(=O)N2CC[NH+](CC)CC2)s1 ZINC000029630088 1075768676 /nfs/dbraw/zinc/76/86/76/1075768676.db2.gz MFSGXUNVROEPLY-LBPRGKRZSA-N 1 2 417.626 1.801 20 0 HDADLO CC(C)(C)c1nnc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000515913750 1075776872 /nfs/dbraw/zinc/77/68/72/1075776872.db2.gz KTQRHFXLHQXEDL-OAHLLOKOSA-N 1 2 417.535 1.791 20 0 HDADLO CC(C)(C)c1nnc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000515913750 1075776877 /nfs/dbraw/zinc/77/68/77/1075776877.db2.gz KTQRHFXLHQXEDL-OAHLLOKOSA-N 1 2 417.535 1.791 20 0 HDADLO C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc2cc(Cl)ccc2[nH]1 ZINC000732559245 1075785328 /nfs/dbraw/zinc/78/53/28/1075785328.db2.gz JLTHIAQWEZHELR-KGLIPLIRSA-N 1 2 419.913 1.574 20 0 HDADLO CN1CCN(S(=O)(=O)c2ccc(NCc3cccc(-n4cc[nH+]c4)c3)nc2)CC1 ZINC000522404133 1075792778 /nfs/dbraw/zinc/79/27/78/1075792778.db2.gz PYFMXBQXVNYYDB-UHFFFAOYSA-N 1 2 412.519 1.816 20 0 HDADLO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Nc3cnn(-c4cc[nH+]cc4)c3)ccc2O1 ZINC000611028138 1075814506 /nfs/dbraw/zinc/81/45/06/1075814506.db2.gz LQSYVEGAGSLOTA-SFHVURJKSA-N 1 2 414.443 1.935 20 0 HDADLO C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000511738114 1075819862 /nfs/dbraw/zinc/81/98/62/1075819862.db2.gz OOLQNWSQCZSAET-IBGZPJMESA-N 1 2 408.499 1.836 20 0 HDADLO CCOC(=O)CC[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000611062010 1075822263 /nfs/dbraw/zinc/82/22/63/1075822263.db2.gz SBDOUAWGATXUNY-PXNSSMCTSA-N 1 2 413.584 1.959 20 0 HDADLO COC(=O)c1cccc([C@@H](C(=O)OC)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000611089369 1075828180 /nfs/dbraw/zinc/82/81/80/1075828180.db2.gz AIKGRMQKBWVSDL-APWZRJJASA-N 1 2 417.506 1.316 20 0 HDADLO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1Cl ZINC000611076010 1075828511 /nfs/dbraw/zinc/82/85/11/1075828511.db2.gz JAOYBHOWYVIEKH-ZDUSSCGKSA-N 1 2 402.838 1.855 20 0 HDADLO NC(=O)CCSc1ccccc1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000470333485 1075830878 /nfs/dbraw/zinc/83/08/78/1075830878.db2.gz BZMYDFWPCWJBKS-UHFFFAOYSA-N 1 2 418.523 1.827 20 0 HDADLO O=C(NCCNc1cccc[nH+]1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000732701651 1075836175 /nfs/dbraw/zinc/83/61/75/1075836175.db2.gz SIXMWICCYUEOLM-UHFFFAOYSA-N 1 2 409.434 1.354 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000732703002 1075836875 /nfs/dbraw/zinc/83/68/75/1075836875.db2.gz IYAPYXZNSGFRBY-CYBMUJFWSA-N 1 2 423.461 1.860 20 0 HDADLO CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809156 1075870756 /nfs/dbraw/zinc/87/07/56/1075870756.db2.gz BAUJHZVXEJPANO-HNNXBMFYSA-N 1 2 418.485 1.487 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732812290 1075873315 /nfs/dbraw/zinc/87/33/15/1075873315.db2.gz NYNKVIKMUFNPFA-QGZVFWFLSA-N 1 2 420.579 1.690 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732812290 1075873320 /nfs/dbraw/zinc/87/33/20/1075873320.db2.gz NYNKVIKMUFNPFA-QGZVFWFLSA-N 1 2 420.579 1.690 20 0 HDADLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812150 1075873762 /nfs/dbraw/zinc/87/37/62/1075873762.db2.gz BSLFURWURVQGNO-CABCVRRESA-N 1 2 418.412 1.733 20 0 HDADLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812150 1075873764 /nfs/dbraw/zinc/87/37/64/1075873764.db2.gz BSLFURWURVQGNO-CABCVRRESA-N 1 2 418.412 1.733 20 0 HDADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000611209343 1075874389 /nfs/dbraw/zinc/87/43/89/1075874389.db2.gz ZDOXLTMHNUJQSO-LJQANCHMSA-N 1 2 410.474 1.904 20 0 HDADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000611209343 1075874393 /nfs/dbraw/zinc/87/43/93/1075874393.db2.gz ZDOXLTMHNUJQSO-LJQANCHMSA-N 1 2 410.474 1.904 20 0 HDADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000611209342 1075874417 /nfs/dbraw/zinc/87/44/17/1075874417.db2.gz ZDOXLTMHNUJQSO-IBGZPJMESA-N 1 2 410.474 1.904 20 0 HDADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000611209342 1075874419 /nfs/dbraw/zinc/87/44/19/1075874419.db2.gz ZDOXLTMHNUJQSO-IBGZPJMESA-N 1 2 410.474 1.904 20 0 HDADLO FC(F)(F)CNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911717 1075909198 /nfs/dbraw/zinc/90/91/98/1075909198.db2.gz CTNNPERCXDDZTP-GFCCVEGCSA-N 1 2 404.462 1.308 20 0 HDADLO FC(F)(F)CNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911717 1075909203 /nfs/dbraw/zinc/90/92/03/1075909203.db2.gz CTNNPERCXDDZTP-GFCCVEGCSA-N 1 2 404.462 1.308 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000732915437 1075911605 /nfs/dbraw/zinc/91/16/05/1075911605.db2.gz HZGWBSCIKWQIGL-MRXNPFEDSA-N 1 2 424.505 1.301 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000732915437 1075911606 /nfs/dbraw/zinc/91/16/06/1075911606.db2.gz HZGWBSCIKWQIGL-MRXNPFEDSA-N 1 2 424.505 1.301 20 0 HDADLO CCOC(=O)c1sc2[nH]c([C@@H](C)N3CC[NH+]([C@@H]4CCOC4)CC3)nc(=O)c2c1C ZINC000611348682 1075912985 /nfs/dbraw/zinc/91/29/85/1075912985.db2.gz HMRBBIQTJFIGNC-ZIAGYGMSSA-N 1 2 420.535 1.937 20 0 HDADLO CCOC(=O)c1cc(NC(=O)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1C ZINC000611361787 1075918893 /nfs/dbraw/zinc/91/88/93/1075918893.db2.gz QRBPKJBDDYMVGM-QGZVFWFLSA-N 1 2 423.473 1.974 20 0 HDADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611540576 1075956556 /nfs/dbraw/zinc/95/65/56/1075956556.db2.gz DURLYTVKKTVEOJ-HUUCEWRRSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611540766 1075957270 /nfs/dbraw/zinc/95/72/70/1075957270.db2.gz WQQDTXJIRGEVNH-LSDHHAIUSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000611531627 1075958540 /nfs/dbraw/zinc/95/85/40/1075958540.db2.gz ONOSHFADIDTHFW-IBGZPJMESA-N 1 2 414.506 1.884 20 0 HDADLO COC(=O)CN(C)C(=O)CC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000611531627 1075958544 /nfs/dbraw/zinc/95/85/44/1075958544.db2.gz ONOSHFADIDTHFW-IBGZPJMESA-N 1 2 414.506 1.884 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)c2C)no1 ZINC000505154831 1075970983 /nfs/dbraw/zinc/97/09/83/1075970983.db2.gz MOQOIOZSXXIJRQ-UHFFFAOYSA-N 1 2 410.478 1.768 20 0 HDADLO C[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180469 1075985142 /nfs/dbraw/zinc/98/51/42/1075985142.db2.gz LGNPULAYRVVWQS-QGHZAEEISA-N 1 2 402.451 1.318 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180469 1075985148 /nfs/dbraw/zinc/98/51/48/1075985148.db2.gz LGNPULAYRVVWQS-QGHZAEEISA-N 1 2 402.451 1.318 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000733151695 1075987061 /nfs/dbraw/zinc/98/70/61/1075987061.db2.gz LFSWVGUYOTUVJZ-AFDUHFSSSA-N 1 2 407.518 1.605 20 0 HDADLO C[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733195203 1076002285 /nfs/dbraw/zinc/00/22/85/1076002285.db2.gz GYMJBMIFHIFIMD-IRXDYDNUSA-N 1 2 412.575 1.543 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000494913876 1076003611 /nfs/dbraw/zinc/00/36/11/1076003611.db2.gz BQCUNHMYBCZTEQ-SFTDATJTSA-N 1 2 416.543 1.844 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000494913876 1076003616 /nfs/dbraw/zinc/00/36/16/1076003616.db2.gz BQCUNHMYBCZTEQ-SFTDATJTSA-N 1 2 416.543 1.844 20 0 HDADLO CC(C)(CNC(=O)CN1CCC[C@@H]1C(=O)OCc1ccccc1)[NH+]1CCOCC1 ZINC000733199297 1076004722 /nfs/dbraw/zinc/00/47/22/1076004722.db2.gz UNBXDEKYTRUNGL-LJQANCHMSA-N 1 2 403.523 1.421 20 0 HDADLO COC[C@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)C1 ZINC000733183422 1076011639 /nfs/dbraw/zinc/01/16/39/1076011639.db2.gz KUTHXQNKIUIKDS-DLBZAZTESA-N 1 2 411.572 1.746 20 0 HDADLO COC[C@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)C1 ZINC000733183422 1076011644 /nfs/dbraw/zinc/01/16/44/1076011644.db2.gz KUTHXQNKIUIKDS-DLBZAZTESA-N 1 2 411.572 1.746 20 0 HDADLO CO[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081960844 1076020571 /nfs/dbraw/zinc/02/05/71/1076020571.db2.gz VRBTZYMAMOAQJP-FAZHRNDASA-N 1 2 422.529 1.670 20 0 HDADLO CO[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081960844 1076020576 /nfs/dbraw/zinc/02/05/76/1076020576.db2.gz VRBTZYMAMOAQJP-FAZHRNDASA-N 1 2 422.529 1.670 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 ZINC000727034480 1076029896 /nfs/dbraw/zinc/02/98/96/1076029896.db2.gz NJAJIYHKUGTGKH-VQIMIIECSA-N 1 2 410.946 1.733 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 ZINC000727034480 1076029901 /nfs/dbraw/zinc/02/99/01/1076029901.db2.gz NJAJIYHKUGTGKH-VQIMIIECSA-N 1 2 410.946 1.733 20 0 HDADLO COCC[N@H+](CCC(=O)OC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000733309870 1076035149 /nfs/dbraw/zinc/03/51/49/1076035149.db2.gz UNSBYGVGKTYHBC-UHFFFAOYSA-N 1 2 403.479 1.796 20 0 HDADLO COCC[N@@H+](CCC(=O)OC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000733309870 1076035157 /nfs/dbraw/zinc/03/51/57/1076035157.db2.gz UNSBYGVGKTYHBC-UHFFFAOYSA-N 1 2 403.479 1.796 20 0 HDADLO Cc1ccc(OCc2nc(C[NH2+]CCS(=O)(=O)N3CCOCC3)cs2)cc1 ZINC000733328145 1076045052 /nfs/dbraw/zinc/04/50/52/1076045052.db2.gz INNZWXAHJAYWDE-UHFFFAOYSA-N 1 2 411.549 1.782 20 0 HDADLO CO[C@H](CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C(F)(F)F ZINC000733337684 1076046016 /nfs/dbraw/zinc/04/60/16/1076046016.db2.gz QTWPZDUCGSECSH-OAHLLOKOSA-N 1 2 402.417 1.966 20 0 HDADLO CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000727136510 1076051339 /nfs/dbraw/zinc/05/13/39/1076051339.db2.gz XRCCSNDRJCOQDH-KRWDZBQOSA-N 1 2 404.511 1.733 20 0 HDADLO O=C(CC[NH+]1CCOCC1)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1 ZINC000727405580 1076116324 /nfs/dbraw/zinc/11/63/24/1076116324.db2.gz CPOVKYDTDGXZEY-UHFFFAOYSA-N 1 2 416.551 1.521 20 0 HDADLO C[C@H]1CN(C(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)CCO1 ZINC000727434759 1076119049 /nfs/dbraw/zinc/11/90/49/1076119049.db2.gz MOAXHDFCWWOXKP-GJZGRUSLSA-N 1 2 415.490 1.548 20 0 HDADLO CN(CC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1ccccc1 ZINC000733590917 1076119149 /nfs/dbraw/zinc/11/91/49/1076119149.db2.gz IOYQZIYZMOYXGZ-UHFFFAOYSA-N 1 2 423.513 1.945 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)CCO1 ZINC000727603217 1076177047 /nfs/dbraw/zinc/17/70/47/1076177047.db2.gz HJQSLXGIZNGIGV-CABCVRRESA-N 1 2 419.444 1.807 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)CCO1 ZINC000727603217 1076177052 /nfs/dbraw/zinc/17/70/52/1076177052.db2.gz HJQSLXGIZNGIGV-CABCVRRESA-N 1 2 419.444 1.807 20 0 HDADLO CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000527204621 1076197900 /nfs/dbraw/zinc/19/79/00/1076197900.db2.gz PXLCPTQWYNTDLB-UHFFFAOYSA-N 1 2 406.508 1.990 20 0 HDADLO COC(=O)[C@@H]1CC12CC[NH+](Cn1nc(N3CCOCC3)n(C3CC3)c1=S)CC2 ZINC000733791702 1076208750 /nfs/dbraw/zinc/20/87/50/1076208750.db2.gz CCRXCXATTNEYFG-HNNXBMFYSA-N 1 2 407.540 1.818 20 0 HDADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727738087 1076214669 /nfs/dbraw/zinc/21/46/69/1076214669.db2.gz FKDQAVKAOYTASU-SJORKVTESA-N 1 2 413.478 1.676 20 0 HDADLO O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)N1CC(Oc2cc[nH+]cc2)C1 ZINC000727763316 1076218132 /nfs/dbraw/zinc/21/81/32/1076218132.db2.gz SLWPNRNMLRTPIY-UHFFFAOYSA-N 1 2 416.484 1.597 20 0 HDADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727755737 1076229612 /nfs/dbraw/zinc/22/96/12/1076229612.db2.gz FYQXHOWOTKRRIK-GOSISDBHSA-N 1 2 402.476 1.187 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)c2)CC1 ZINC000727756295 1076229867 /nfs/dbraw/zinc/22/98/67/1076229867.db2.gz VCSLEMAEVIMYJK-LJQANCHMSA-N 1 2 415.519 1.103 20 0 HDADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000533358313 1076243137 /nfs/dbraw/zinc/24/31/37/1076243137.db2.gz ZABAZRVBXZHVBP-NSHGMRRFSA-N 1 2 415.538 1.324 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000533829847 1076244998 /nfs/dbraw/zinc/24/49/98/1076244998.db2.gz HVPTVAAIJQHHTP-KRWDZBQOSA-N 1 2 405.451 1.471 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000533829847 1076245001 /nfs/dbraw/zinc/24/50/01/1076245001.db2.gz HVPTVAAIJQHHTP-KRWDZBQOSA-N 1 2 405.451 1.471 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 ZINC000534540020 1076248001 /nfs/dbraw/zinc/24/80/01/1076248001.db2.gz KFPDMGDOROEZOQ-LJQANCHMSA-N 1 2 415.515 1.515 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 ZINC000534540020 1076248005 /nfs/dbraw/zinc/24/80/05/1076248005.db2.gz KFPDMGDOROEZOQ-LJQANCHMSA-N 1 2 415.515 1.515 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000534541502 1076248402 /nfs/dbraw/zinc/24/84/02/1076248402.db2.gz RWCYBKAGLWGYLN-SFHVURJKSA-N 1 2 410.474 1.638 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534541502 1076248407 /nfs/dbraw/zinc/24/84/07/1076248407.db2.gz RWCYBKAGLWGYLN-SFHVURJKSA-N 1 2 410.474 1.638 20 0 HDADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535315901 1076252451 /nfs/dbraw/zinc/25/24/51/1076252451.db2.gz WYDNUMVBPJPNSX-IBGZPJMESA-N 1 2 410.474 1.443 20 0 HDADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535315901 1076252454 /nfs/dbraw/zinc/25/24/54/1076252454.db2.gz WYDNUMVBPJPNSX-IBGZPJMESA-N 1 2 410.474 1.443 20 0 HDADLO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000033232397 1076258249 /nfs/dbraw/zinc/25/82/49/1076258249.db2.gz RIJPBRFCDKOASU-UHFFFAOYSA-N 1 2 407.561 1.798 20 0 HDADLO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000727859908 1076275024 /nfs/dbraw/zinc/27/50/24/1076275024.db2.gz IFVIFRPSFVBVAM-ZDUSSCGKSA-N 1 2 419.341 1.693 20 0 HDADLO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000727859908 1076275026 /nfs/dbraw/zinc/27/50/26/1076275026.db2.gz IFVIFRPSFVBVAM-ZDUSSCGKSA-N 1 2 419.341 1.693 20 0 HDADLO CN(CC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1)C(=O)OC(C)(C)C ZINC000727892147 1076276846 /nfs/dbraw/zinc/27/68/46/1076276846.db2.gz BFMIMCLUEDUELY-UHFFFAOYSA-N 1 2 411.524 1.802 20 0 HDADLO O=C(COCCOCC(=O)Nc1ccc2[nH+]ccn2c1)Nc1ccc2nccn2c1 ZINC000733968360 1076278571 /nfs/dbraw/zinc/27/85/71/1076278571.db2.gz SSPZWPPKBCDRAM-UHFFFAOYSA-N 1 2 408.418 1.592 20 0 HDADLO CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CC(n4cc[nH+]c4)C3)nn2)CC1 ZINC000733985784 1076283702 /nfs/dbraw/zinc/28/37/02/1076283702.db2.gz LTDAIMQWVYLDSJ-UHFFFAOYSA-N 1 2 401.471 1.744 20 0 HDADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000734074336 1076303127 /nfs/dbraw/zinc/30/31/27/1076303127.db2.gz RGRCHNQUPFTGHD-MRXNPFEDSA-N 1 2 406.508 1.765 20 0 HDADLO C[C@H](CC1CCCC1)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000734055739 1076303724 /nfs/dbraw/zinc/30/37/24/1076303724.db2.gz YKPMVBDKNNXZCE-OAHLLOKOSA-N 1 2 414.510 1.772 20 0 HDADLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2C[N@@H+](CCOc3ccccc3F)C[C@@H]21 ZINC001083147863 1076304660 /nfs/dbraw/zinc/30/46/60/1076304660.db2.gz IXUFENQLGBMPOQ-WUKSYQMZSA-N 1 2 404.482 1.931 20 0 HDADLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2C[N@H+](CCOc3ccccc3F)C[C@@H]21 ZINC001083147863 1076304665 /nfs/dbraw/zinc/30/46/65/1076304665.db2.gz IXUFENQLGBMPOQ-WUKSYQMZSA-N 1 2 404.482 1.931 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3ccnc(F)c3)cc2)CC1 ZINC000728030529 1076312076 /nfs/dbraw/zinc/31/20/76/1076312076.db2.gz STMNOEMDMTUQKD-UHFFFAOYSA-N 1 2 414.481 1.736 20 0 HDADLO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000728067345 1076315886 /nfs/dbraw/zinc/31/58/86/1076315886.db2.gz HCLVHCSKECTSSR-PNWYBZRESA-N 1 2 422.595 1.401 20 0 HDADLO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000728067345 1076315892 /nfs/dbraw/zinc/31/58/92/1076315892.db2.gz HCLVHCSKECTSSR-PNWYBZRESA-N 1 2 422.595 1.401 20 0 HDADLO C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccc2c(c1)OCCO2 ZINC000027354762 1076359256 /nfs/dbraw/zinc/35/92/56/1076359256.db2.gz XDBQAKTUSLMOHV-UHFFFAOYSA-N 1 2 401.438 1.937 20 0 HDADLO C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccc2c(c1)OCCO2 ZINC000027354762 1076359263 /nfs/dbraw/zinc/35/92/63/1076359263.db2.gz XDBQAKTUSLMOHV-UHFFFAOYSA-N 1 2 401.438 1.937 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@@H]1C1OCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000728174709 1076365338 /nfs/dbraw/zinc/36/53/38/1076365338.db2.gz URFSZTJZGATJKD-LJQANCHMSA-N 1 2 417.506 1.003 20 0 HDADLO O=C(C[N@H+]1CCCC[C@@H]1C1OCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000728174709 1076365347 /nfs/dbraw/zinc/36/53/47/1076365347.db2.gz URFSZTJZGATJKD-LJQANCHMSA-N 1 2 417.506 1.003 20 0 HDADLO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000730006253 1076410873 /nfs/dbraw/zinc/41/08/73/1076410873.db2.gz SIBUEYPOMMRMBW-UHFFFAOYSA-N 1 2 400.914 1.962 20 0 HDADLO CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2[nH]c1=S ZINC000730086006 1076440245 /nfs/dbraw/zinc/44/02/45/1076440245.db2.gz MQLKTIUAAMJVPG-IRXDYDNUSA-N 1 2 402.520 1.376 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000730129857 1076459536 /nfs/dbraw/zinc/45/95/36/1076459536.db2.gz CRURVNKKWANRLG-SJORKVTESA-N 1 2 411.591 1.957 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730219594 1076480851 /nfs/dbraw/zinc/48/08/51/1076480851.db2.gz GLBGFEQYOURASY-OAHLLOKOSA-N 1 2 401.442 1.346 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[NH+]3CCC(NC(=O)C(C)C)CC3)C2=O)cc1 ZINC000730253454 1076499107 /nfs/dbraw/zinc/49/91/07/1076499107.db2.gz QUIJZVHCGKMCQC-JOCHJYFZSA-N 1 2 416.522 1.742 20 0 HDADLO COC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000730260462 1076502072 /nfs/dbraw/zinc/50/20/72/1076502072.db2.gz IGPYHYLMCBPGMB-UHFFFAOYSA-N 1 2 414.462 1.465 20 0 HDADLO COC(=O)c1ccc2c(c1)C[N@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000730260462 1076502074 /nfs/dbraw/zinc/50/20/74/1076502074.db2.gz IGPYHYLMCBPGMB-UHFFFAOYSA-N 1 2 414.462 1.465 20 0 HDADLO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000730522137 1076588107 /nfs/dbraw/zinc/58/81/07/1076588107.db2.gz MZHMCGYQPLTSOI-UHFFFAOYSA-N 1 2 415.885 1.505 20 0 HDADLO O=C(C[C@H]1C=CS(=O)(=O)C1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000730553479 1076599925 /nfs/dbraw/zinc/59/99/25/1076599925.db2.gz YYZDDWVQUDIQOV-MRXNPFEDSA-N 1 2 411.955 1.917 20 0 HDADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000730570309 1076604956 /nfs/dbraw/zinc/60/49/56/1076604956.db2.gz GZNKVSJFCIAFBE-INIZCTEOSA-N 1 2 409.556 1.121 20 0 HDADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000730570309 1076604962 /nfs/dbraw/zinc/60/49/62/1076604962.db2.gz GZNKVSJFCIAFBE-INIZCTEOSA-N 1 2 409.556 1.121 20 0 HDADLO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730675538 1076635490 /nfs/dbraw/zinc/63/54/90/1076635490.db2.gz NPAPFMVBJLEPMP-JKSUJKDBSA-N 1 2 408.518 1.868 20 0 HDADLO COC(=O)NCCC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000730746187 1076646258 /nfs/dbraw/zinc/64/62/58/1076646258.db2.gz AZANRBBJWAHNIF-UHFFFAOYSA-N 1 2 415.469 1.910 20 0 HDADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+](C)CCN(C)c1ccccc1)C2=O ZINC000730809011 1076666606 /nfs/dbraw/zinc/66/66/06/1076666606.db2.gz VXIYHVFDZJCTGR-UHFFFAOYSA-N 1 2 401.511 1.587 20 0 HDADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](C)CCN(C)c1ccccc1)C2=O ZINC000730809011 1076666609 /nfs/dbraw/zinc/66/66/09/1076666609.db2.gz VXIYHVFDZJCTGR-UHFFFAOYSA-N 1 2 401.511 1.587 20 0 HDADLO CCOc1ccccc1C(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000730938097 1076698447 /nfs/dbraw/zinc/69/84/47/1076698447.db2.gz RQZISZCSENWKAU-UHFFFAOYSA-N 1 2 417.531 1.733 20 0 HDADLO NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000730937948 1076698565 /nfs/dbraw/zinc/69/85/65/1076698565.db2.gz MBTMUJSLKDIBCZ-UHFFFAOYSA-N 1 2 417.487 1.063 20 0 HDADLO Cc1cccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1C ZINC000521278144 569059236 /nfs/dbraw/zinc/05/92/36/569059236.db2.gz GEDPCQVNVPGROC-SFHVURJKSA-N 1 2 409.534 1.880 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(=O)OC(C)(C)C)ccn3)CC2)C1=O ZINC001164632904 719269500 /nfs/dbraw/zinc/26/95/00/719269500.db2.gz DIAOBDWYSQYLOS-UHFFFAOYSA-N 1 2 418.538 1.796 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(=O)OC(C)(C)C)ccn3)CC2)C1=O ZINC001164632904 719269504 /nfs/dbraw/zinc/26/95/04/719269504.db2.gz DIAOBDWYSQYLOS-UHFFFAOYSA-N 1 2 418.538 1.796 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4cccnc43)CC2)C1=O ZINC001164636944 719270821 /nfs/dbraw/zinc/27/08/21/719270821.db2.gz ZBLWTCZUDLSZOS-UHFFFAOYSA-N 1 2 404.902 1.438 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4cccnc43)CC2)C1=O ZINC001164636944 719270829 /nfs/dbraw/zinc/27/08/29/719270829.db2.gz ZBLWTCZUDLSZOS-UHFFFAOYSA-N 1 2 404.902 1.438 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ncccc4nc3Cl)CC2)C1=O ZINC001164633821 719273954 /nfs/dbraw/zinc/27/39/54/719273954.db2.gz IDYFWUFVETZDTM-UHFFFAOYSA-N 1 2 404.902 1.438 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ncccc4nc3Cl)CC2)C1=O ZINC001164633821 719273955 /nfs/dbraw/zinc/27/39/55/719273955.db2.gz IDYFWUFVETZDTM-UHFFFAOYSA-N 1 2 404.902 1.438 20 0 HDADLO CCOC(=O)c1nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)ccc1Cl ZINC001164639215 719278470 /nfs/dbraw/zinc/27/84/70/719278470.db2.gz KLVWHWSTZZKCCP-UHFFFAOYSA-N 1 2 424.929 1.671 20 0 HDADLO CCOC(=O)c1nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)ccc1Cl ZINC001164639215 719278472 /nfs/dbraw/zinc/27/84/72/719278472.db2.gz KLVWHWSTZZKCCP-UHFFFAOYSA-N 1 2 424.929 1.671 20 0 HDADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c1OC ZINC001164638033 719279338 /nfs/dbraw/zinc/27/93/38/719279338.db2.gz CBHFRTHFLDPWLB-UHFFFAOYSA-N 1 2 409.918 1.541 20 0 HDADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c1OC ZINC001164638033 719279343 /nfs/dbraw/zinc/27/93/43/719279343.db2.gz CBHFRTHFLDPWLB-UHFFFAOYSA-N 1 2 409.918 1.541 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(C)c1 ZINC001164703956 719848164 /nfs/dbraw/zinc/84/81/64/719848164.db2.gz RPDOFAUKSCSHBR-LAUBAEHRSA-N 1 2 405.495 1.799 20 0 HDADLO CCOC(=O)c1cnc(C)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707158 719848261 /nfs/dbraw/zinc/84/82/61/719848261.db2.gz ZOJTWBZEONJIEA-YWZLYKJASA-N 1 2 406.483 1.194 20 0 HDADLO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164704031 719854908 /nfs/dbraw/zinc/85/49/08/719854908.db2.gz QPKWPQNRCKSAHO-IERDGZPVSA-N 1 2 405.495 1.799 20 0 HDADLO CCOC(=O)c1c(C)ncnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706750 719855871 /nfs/dbraw/zinc/85/58/71/719855871.db2.gz YRXRJSUGYGSESD-FOIQADDNSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(OC)ccc2n1 ZINC001164704643 719856895 /nfs/dbraw/zinc/85/68/95/719856895.db2.gz SCQIWRLDILJSPD-IERDGZPVSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)c1ccc(Cl)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164700057 719857264 /nfs/dbraw/zinc/85/72/64/719857264.db2.gz GAQHTCXLZIAIQC-BFUOFWGJSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-n2cnc(C)c2)nn1 ZINC001164706367 719862013 /nfs/dbraw/zinc/86/20/13/719862013.db2.gz WPOZMVLJHFFPAI-OXQOHEQNSA-N 1 2 400.483 1.203 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2ncnc(Cl)c2n1 ZINC001164705560 719862139 /nfs/dbraw/zinc/86/21/39/719862139.db2.gz UFMSBUSHZUOXNM-XIKOKIGWSA-N 1 2 406.874 1.306 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2C1CC1 ZINC001164701224 719870022 /nfs/dbraw/zinc/87/00/22/719870022.db2.gz GBUFDIMWYCJTIW-MGPUTAFESA-N 1 2 400.483 1.394 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C)CC2 ZINC001164703723 719877373 /nfs/dbraw/zinc/87/73/73/719877373.db2.gz KFYAQICYVKBEQD-XOBRGWDASA-N 1 2 423.945 1.351 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc[n+]([O-])c(Cl)c1 ZINC001164699008 719879767 /nfs/dbraw/zinc/87/97/67/719879767.db2.gz GOMPEOFUXAUQKT-YOEHRIQHSA-N 1 2 419.856 1.751 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@@H](F)Oc1ccc(Cl)nn1 ZINC001164698436 719879809 /nfs/dbraw/zinc/87/98/09/719879809.db2.gz FPKKJGLIHOQQTD-VUCTXSBTSA-N 1 2 402.854 1.490 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3c1C(=O)OC3(C)C)CC2 ZINC001164708879 719904608 /nfs/dbraw/zinc/90/46/08/719904608.db2.gz LNTCTOJPLAMJQY-UHFFFAOYSA-N 1 2 424.505 1.171 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cnc1Cl)CC2 ZINC001164708895 719905858 /nfs/dbraw/zinc/90/58/58/719905858.db2.gz MEYPLKBUKFYXGF-UHFFFAOYSA-N 1 2 410.309 1.467 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164709165 719906463 /nfs/dbraw/zinc/90/64/63/719906463.db2.gz PSCLDJPACLCELP-SFHVURJKSA-N 1 2 406.893 1.883 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164709642 719913835 /nfs/dbraw/zinc/91/38/35/719913835.db2.gz ZFNGYSKEEBTUOT-UHFFFAOYSA-N 1 2 413.913 1.852 20 0 HDADLO CSc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(C)c1 ZINC001164708779 719920615 /nfs/dbraw/zinc/92/06/15/719920615.db2.gz PZNDMHVOXDESRN-UHFFFAOYSA-N 1 2 400.552 1.796 20 0 HDADLO CC(C)n1cnc2cnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc21 ZINC001164708572 719923728 /nfs/dbraw/zinc/92/37/28/719923728.db2.gz LJUVSIPTGFYUDO-UHFFFAOYSA-N 1 2 423.525 1.091 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164708132 719923919 /nfs/dbraw/zinc/92/39/19/719923919.db2.gz DMNINSWMHCENQR-UHFFFAOYSA-N 1 2 417.517 1.827 20 0 HDADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(-c2ccco2)n1 ZINC001164709030 719925646 /nfs/dbraw/zinc/92/56/46/719925646.db2.gz WTANTACJDOPIKJ-UHFFFAOYSA-N 1 2 421.505 1.729 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(C)cc(Cl)n3)C2)C1 ZINC001164720309 720215997 /nfs/dbraw/zinc/21/59/97/720215997.db2.gz YBPVIFZYVBDQRY-QGZVFWFLSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(C)cc(Cl)n3)C2)C1 ZINC001164720309 720216004 /nfs/dbraw/zinc/21/60/04/720216004.db2.gz YBPVIFZYVBDQRY-QGZVFWFLSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164720105 720231204 /nfs/dbraw/zinc/23/12/04/720231204.db2.gz WACDVIKWXYODIL-ROUUACIJSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164720105 720231211 /nfs/dbraw/zinc/23/12/11/720231211.db2.gz WACDVIKWXYODIL-ROUUACIJSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164720101 720232364 /nfs/dbraw/zinc/23/23/64/720232364.db2.gz WACDVIKWXYODIL-MSOLQXFVSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164720101 720232371 /nfs/dbraw/zinc/23/23/71/720232371.db2.gz WACDVIKWXYODIL-MSOLQXFVSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ncccc4nc3Cl)C2)C1 ZINC001164720307 720246268 /nfs/dbraw/zinc/24/62/68/720246268.db2.gz ULQINVFTGIIQTM-IBGZPJMESA-N 1 2 404.902 1.343 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ncccc4nc3Cl)C2)C1 ZINC001164720307 720246282 /nfs/dbraw/zinc/24/62/82/720246282.db2.gz ULQINVFTGIIQTM-IBGZPJMESA-N 1 2 404.902 1.343 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164826805 720359466 /nfs/dbraw/zinc/35/94/66/720359466.db2.gz ZGAHLMOBIIHUEO-UHFFFAOYSA-N 1 2 415.567 1.621 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164826805 720359473 /nfs/dbraw/zinc/35/94/73/720359473.db2.gz ZGAHLMOBIIHUEO-UHFFFAOYSA-N 1 2 415.567 1.621 20 0 HDADLO COc1cnc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826205 720430111 /nfs/dbraw/zinc/43/01/11/720430111.db2.gz OTXPMKDHRDRDPB-CQSZACIVSA-N 1 2 422.917 1.325 20 0 HDADLO CSc1nccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823705 720430899 /nfs/dbraw/zinc/43/08/99/720430899.db2.gz JFIFAVXJDJOWPQ-OAHLLOKOSA-N 1 2 404.540 1.385 20 0 HDADLO COc1nc(Cl)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827269 720432521 /nfs/dbraw/zinc/43/25/21/720432521.db2.gz SGJGJEPGHGQRGG-AWEZNQCLSA-N 1 2 422.917 1.325 20 0 HDADLO Cc1nc2[nH]ccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824662 720439903 /nfs/dbraw/zinc/43/99/03/720439903.db2.gz OWLPGGDCWBRWCF-MRXNPFEDSA-N 1 2 411.510 1.452 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(C(C)(C)C)n1)C2 ZINC001164821926 720447519 /nfs/dbraw/zinc/44/75/19/720447519.db2.gz ATJLSFRGNGSSGF-KRWDZBQOSA-N 1 2 414.554 1.960 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc(-c3ccco3)cn1)C2 ZINC001164825639 720447784 /nfs/dbraw/zinc/44/77/84/720447784.db2.gz SZRVRHNJSWXTHT-KRWDZBQOSA-N 1 2 424.505 1.923 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cl)c[n+]1[O-])C2 ZINC001164831140 720468809 /nfs/dbraw/zinc/46/88/09/720468809.db2.gz MVCGHGHEGSDSIU-OAHLLOKOSA-N 1 2 407.902 1.160 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C3CCC3)ncn1)C2 ZINC001164832579 720477892 /nfs/dbraw/zinc/47/78/92/720477892.db2.gz JRYMYJWPZMGAMR-GOSISDBHSA-N 1 2 412.538 1.930 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nccnc1Cl)C2 ZINC001164859377 720895962 /nfs/dbraw/zinc/89/59/62/720895962.db2.gz PBFLTONVZOJHDM-UHFFFAOYSA-N 1 2 407.812 1.887 20 0 HDADLO CCOC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913029 721769862 /nfs/dbraw/zinc/76/98/62/721769862.db2.gz TYWSQJZKNAQMRZ-QFIPXVFZSA-N 1 2 412.490 1.761 20 0 HDADLO CCOC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913029 721769865 /nfs/dbraw/zinc/76/98/65/721769865.db2.gz TYWSQJZKNAQMRZ-QFIPXVFZSA-N 1 2 412.490 1.761 20 0 HDADLO COC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164913648 721775160 /nfs/dbraw/zinc/77/51/60/721775160.db2.gz ZICOCNMGRJLFOB-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164913648 721775163 /nfs/dbraw/zinc/77/51/63/721775163.db2.gz ZICOCNMGRJLFOB-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO CN(C)C(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164911117 721779417 /nfs/dbraw/zinc/77/94/17/721779417.db2.gz FHJRWVFLYTXZMR-QFIPXVFZSA-N 1 2 411.506 1.286 20 0 HDADLO CN(C)C(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164911117 721779423 /nfs/dbraw/zinc/77/94/23/721779423.db2.gz FHJRWVFLYTXZMR-QFIPXVFZSA-N 1 2 411.506 1.286 20 0 HDADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cn1 ZINC001164915537 721780751 /nfs/dbraw/zinc/78/07/51/721780751.db2.gz KZWOIYNCJBWVHD-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cn1 ZINC001164915537 721780754 /nfs/dbraw/zinc/78/07/54/721780754.db2.gz KZWOIYNCJBWVHD-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO Cc1nc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2n1C ZINC001164916727 721782434 /nfs/dbraw/zinc/78/24/34/721782434.db2.gz STPGRXPPXHEBBC-QFIPXVFZSA-N 1 2 408.506 1.780 20 0 HDADLO Cc1nc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2n1C ZINC001164916727 721782435 /nfs/dbraw/zinc/78/24/35/721782435.db2.gz STPGRXPPXHEBBC-QFIPXVFZSA-N 1 2 408.506 1.780 20 0 HDADLO CC1(C)C(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915137 721792323 /nfs/dbraw/zinc/79/23/23/721792323.db2.gz IKMNSQFLZPBOLJ-QFIPXVFZSA-N 1 2 424.505 1.209 20 0 HDADLO CC1(C)C(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915137 721792325 /nfs/dbraw/zinc/79/23/25/721792325.db2.gz IKMNSQFLZPBOLJ-QFIPXVFZSA-N 1 2 424.505 1.209 20 0 HDADLO NC(=S)Nc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913252 721798427 /nfs/dbraw/zinc/79/84/27/721798427.db2.gz CFFBKGGQIWQJKH-FQEVSTJZSA-N 1 2 414.535 1.240 20 0 HDADLO NC(=S)Nc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913252 721798429 /nfs/dbraw/zinc/79/84/29/721798429.db2.gz CFFBKGGQIWQJKH-FQEVSTJZSA-N 1 2 414.535 1.240 20 0 HDADLO COC(=O)c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1C(=O)OC ZINC001164915920 721812945 /nfs/dbraw/zinc/81/29/45/721812945.db2.gz DQHLAGHUIQPWTP-UHFFFAOYSA-N 1 2 413.478 1.601 20 0 HDADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918551 721822030 /nfs/dbraw/zinc/82/20/30/721822030.db2.gz FULHAWCFELHHTJ-UHFFFAOYSA-N 1 2 403.918 1.826 20 0 HDADLO CCOC(=O)C[C@H]1C(=O)NCCN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001165035750 721874196 /nfs/dbraw/zinc/87/41/96/721874196.db2.gz WREAZASMOLJBJS-IBGZPJMESA-N 1 2 409.490 1.293 20 0 HDADLO CCOC(=O)C[C@H]1C(=O)NCCN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001165035750 721874197 /nfs/dbraw/zinc/87/41/97/721874197.db2.gz WREAZASMOLJBJS-IBGZPJMESA-N 1 2 409.490 1.293 20 0 HDADLO Cc1cc2c(c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)n1)C(=O)NC2=O ZINC001164946726 721978302 /nfs/dbraw/zinc/97/83/02/721978302.db2.gz KLASBQSTNHONCS-UHFFFAOYSA-N 1 2 419.485 1.245 20 0 HDADLO Cc1cc2c(c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)n1)C(=O)NC2=O ZINC001164946726 721978305 /nfs/dbraw/zinc/97/83/05/721978305.db2.gz KLASBQSTNHONCS-UHFFFAOYSA-N 1 2 419.485 1.245 20 0 HDADLO NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc21 ZINC000673644351 1073493842 /nfs/dbraw/zinc/49/38/42/1073493842.db2.gz HZZQSXWVABGBFU-KRWDZBQOSA-N 1 2 401.492 1.251 20 0 HDADLO NS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc21 ZINC000673644351 1073493845 /nfs/dbraw/zinc/49/38/45/1073493845.db2.gz HZZQSXWVABGBFU-KRWDZBQOSA-N 1 2 401.492 1.251 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccn1 ZINC000509123078 1073601254 /nfs/dbraw/zinc/60/12/54/1073601254.db2.gz FWNMQLLQQNHAAQ-JOCHJYFZSA-N 1 2 416.522 1.311 20 0 HDADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)CC2 ZINC000673680200 1073634099 /nfs/dbraw/zinc/63/40/99/1073634099.db2.gz BYSSAEXFKMBXKP-LJQANCHMSA-N 1 2 414.531 1.934 20 0 HDADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)CC2 ZINC000673680200 1073634105 /nfs/dbraw/zinc/63/41/05/1073634105.db2.gz BYSSAEXFKMBXKP-LJQANCHMSA-N 1 2 414.531 1.934 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CCNS(=O)(=O)c3ccc(F)cc3)[nH+]c12 ZINC000673746881 1073682413 /nfs/dbraw/zinc/68/24/13/1073682413.db2.gz CTFNVIBHQLURBA-UHFFFAOYSA-N 1 2 404.467 1.809 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)[nH+]c12 ZINC000673770825 1073703947 /nfs/dbraw/zinc/70/39/47/1073703947.db2.gz RUKWBIAMINWEDR-UHFFFAOYSA-N 1 2 415.519 1.935 20 0 HDADLO CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673784215 1073724356 /nfs/dbraw/zinc/72/43/56/1073724356.db2.gz YEUMYZYJLFRSNN-QGZVFWFLSA-N 1 2 402.495 1.605 20 0 HDADLO O=C(Nc1ccccc1C(=O)N1CCCC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784414 1073724391 /nfs/dbraw/zinc/72/43/91/1073724391.db2.gz JTZKWMMHAIOIEB-QGZVFWFLSA-N 1 2 414.506 1.184 20 0 HDADLO CCOc1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)O[C@@H](C)C2 ZINC000673785678 1073726802 /nfs/dbraw/zinc/72/68/02/1073726802.db2.gz XFHLADPSEMJKQD-RDJZCZTQSA-N 1 2 417.506 1.670 20 0 HDADLO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785488 1073727442 /nfs/dbraw/zinc/72/74/42/1073727442.db2.gz RMOCLTHBGSWYTG-GOSISDBHSA-N 1 2 416.522 1.851 20 0 HDADLO O=C(Nc1cccc(Cl)c1-n1cncn1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785503 1073727643 /nfs/dbraw/zinc/72/76/43/1073727643.db2.gz RVKHFDHLAIHAIZ-CQSZACIVSA-N 1 2 418.885 1.182 20 0 HDADLO O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785345 1073728943 /nfs/dbraw/zinc/72/89/43/1073728943.db2.gz QYSJZUULERIQRP-UXHICEINSA-N 1 2 417.506 1.506 20 0 HDADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673777232 1073733578 /nfs/dbraw/zinc/73/35/78/1073733578.db2.gz MNACOIPQUJNVHL-KRWDZBQOSA-N 1 2 400.527 1.427 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)[nH+]c12 ZINC000673789040 1073744201 /nfs/dbraw/zinc/74/42/01/1073744201.db2.gz RIBGLFWEPJATCF-UHFFFAOYSA-N 1 2 409.421 1.964 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)[nH+]c12 ZINC000673788976 1073744742 /nfs/dbraw/zinc/74/47/42/1073744742.db2.gz QXVRYFLUAUEIAI-UHFFFAOYSA-N 1 2 400.460 1.344 20 0 HDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509157713 1073784077 /nfs/dbraw/zinc/78/40/77/1073784077.db2.gz XKYCAVUMCPOKJU-QGZVFWFLSA-N 1 2 410.540 1.143 20 0 HDADLO Cc1nc(C(=O)NCC[NH+]2Cc3ccccc3C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000673834106 1073807873 /nfs/dbraw/zinc/80/78/73/1073807873.db2.gz KRSXMKQJJCDFBC-UHFFFAOYSA-N 1 2 406.372 1.458 20 0 HDADLO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000673855449 1073822836 /nfs/dbraw/zinc/82/28/36/1073822836.db2.gz SJLADJLNYLRFKV-UXHICEINSA-N 1 2 401.507 1.081 20 0 HDADLO COc1ccc(CN(C)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1OC ZINC000673871808 1073838820 /nfs/dbraw/zinc/83/88/20/1073838820.db2.gz BUAKPIPEVAJUTP-UHFFFAOYSA-N 1 2 403.483 1.896 20 0 HDADLO CC[C@H](C)[C@H](NC(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(=O)OC ZINC000029632103 1073845756 /nfs/dbraw/zinc/84/57/56/1073845756.db2.gz OXOALCYBRGASCZ-KXBFYZLASA-N 1 2 405.543 1.734 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)NCc2csc(N(C)C)n2)c1)[NH+]1CCOCC1 ZINC000673887629 1073846906 /nfs/dbraw/zinc/84/69/06/1073846906.db2.gz ICZKZGBREJWBJW-CQSZACIVSA-N 1 2 417.535 1.857 20 0 HDADLO CN(C)c1nc(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cs1 ZINC000673887734 1073846978 /nfs/dbraw/zinc/84/69/78/1073846978.db2.gz QVFYKRBIMZFACO-UHFFFAOYSA-N 1 2 416.551 1.211 20 0 HDADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000766042641 1073882429 /nfs/dbraw/zinc/88/24/29/1073882429.db2.gz LWCYHULPJRKDTP-IAGOWNOFSA-N 1 2 419.588 1.664 20 0 HDADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4cc(CO)on4)CC3)n2)cc1 ZINC000673924785 1073894719 /nfs/dbraw/zinc/89/47/19/1073894719.db2.gz UUUFRMTZLUXGQO-UHFFFAOYSA-N 1 2 411.462 1.916 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001004864594 1073911030 /nfs/dbraw/zinc/91/10/30/1073911030.db2.gz CTXQOHSHGZHBGQ-FGTAOJJYSA-N 1 2 404.474 1.962 20 0 HDADLO O=C(NCCc1cn2c(n1)SCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000466558757 1073911581 /nfs/dbraw/zinc/91/15/81/1073911581.db2.gz HVGYGZJLMIGVHT-UHFFFAOYSA-N 1 2 401.536 1.863 20 0 HDADLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000543509174 1073914458 /nfs/dbraw/zinc/91/44/58/1073914458.db2.gz IKKXOASZZSALIV-CQSZACIVSA-N 1 2 424.548 1.762 20 0 HDADLO CC(C)C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCOCC1 ZINC000026065806 1073929414 /nfs/dbraw/zinc/92/94/14/1073929414.db2.gz LANSNSQENSRGAR-OAHLLOKOSA-N 1 2 417.597 1.317 20 0 HDADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1ccc(Br)cc1F ZINC000484416520 1073986321 /nfs/dbraw/zinc/98/63/21/1073986321.db2.gz WPLHSALKUMPJFI-UHFFFAOYSA-N 1 2 404.280 1.153 20 0 HDADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1ccc(Br)cc1F ZINC000484416520 1073986326 /nfs/dbraw/zinc/98/63/26/1073986326.db2.gz WPLHSALKUMPJFI-UHFFFAOYSA-N 1 2 404.280 1.153 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccnn2Cc2ccccn2)c1C ZINC000543528771 1074017771 /nfs/dbraw/zinc/01/77/71/1074017771.db2.gz FPRBUHSTFYQUJG-UHFFFAOYSA-N 1 2 408.462 1.944 20 0 HDADLO CC(C)(C)OC(=O)NC[C@@](C)(NS(=O)(=O)CCC[NH+]1CCOCC1)C1CC1 ZINC000766048345 1074036467 /nfs/dbraw/zinc/03/64/67/1074036467.db2.gz HCDYQIDCPLUOFA-GOSISDBHSA-N 1 2 405.561 1.322 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCCC[NH+]3CCCCC3)s[nH]2)c1 ZINC000543535781 1074040265 /nfs/dbraw/zinc/04/02/65/1074040265.db2.gz FUZYYHALIAETNS-UHFFFAOYSA-N 1 2 403.508 1.566 20 0 HDADLO Cc1nsc(N2CCN(C/C=C\C[NH+]3CCN(c4nc(C)ns4)CC3)CC2)n1 ZINC000674008101 1074056855 /nfs/dbraw/zinc/05/68/55/1074056855.db2.gz XWCUTGVPUQFINH-ARJAWSKDSA-N 1 2 420.612 1.507 20 0 HDADLO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC001626093751 1074079640 /nfs/dbraw/zinc/07/96/40/1074079640.db2.gz WFNCQOBDPGCWIJ-UHFFFAOYSA-N 1 2 421.523 1.678 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000674023839 1074081281 /nfs/dbraw/zinc/08/12/81/1074081281.db2.gz LXJPUALUCKZEDR-QGZVFWFLSA-N 1 2 402.582 1.823 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl ZINC000674023071 1074082631 /nfs/dbraw/zinc/08/26/31/1074082631.db2.gz FUSPLRIDARYOKM-CQSZACIVSA-N 1 2 408.973 1.860 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000543555906 1074092554 /nfs/dbraw/zinc/09/25/54/1074092554.db2.gz YKMTWGBYTSVGME-SWLSCSKDSA-N 1 2 415.275 1.635 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000543555906 1074092565 /nfs/dbraw/zinc/09/25/65/1074092565.db2.gz YKMTWGBYTSVGME-SWLSCSKDSA-N 1 2 415.275 1.635 20 0 HDADLO Cc1cccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)S(C)(=O)=O)CC2)c1 ZINC000674028837 1074094922 /nfs/dbraw/zinc/09/49/22/1074094922.db2.gz LRSTWEBTEGVTGJ-UHFFFAOYSA-N 1 2 410.584 1.630 20 0 HDADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NCC(=O)N2CCc3ccccc32)CCC(=O)N1C1CC1 ZINC000509211690 1074142726 /nfs/dbraw/zinc/14/27/26/1074142726.db2.gz PCTPWKWFVLLSGP-VGOFRKELSA-N 1 2 421.501 1.568 20 0 HDADLO Nc1ccccc1S(=O)(=O)NCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000670464444 1074179377 /nfs/dbraw/zinc/17/93/77/1074179377.db2.gz QOQAWVSIYSGVPU-UHFFFAOYSA-N 1 2 403.439 1.188 20 0 HDADLO CCOC1CC(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)([NH+]2CCOCC2)C1 ZINC001128616767 1074185653 /nfs/dbraw/zinc/18/56/53/1074185653.db2.gz MGXFMKUZESWZAD-XQQGARBVSA-N 1 2 419.497 1.565 20 0 HDADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674164920 1074198121 /nfs/dbraw/zinc/19/81/21/1074198121.db2.gz SGJKEZODURJXSV-IAGOWNOFSA-N 1 2 405.524 1.427 20 0 HDADLO O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202025 1074217052 /nfs/dbraw/zinc/21/70/52/1074217052.db2.gz KHGYUBQWEJRJAX-OAHLLOKOSA-N 1 2 406.446 1.341 20 0 HDADLO O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202589 1074218036 /nfs/dbraw/zinc/21/80/36/1074218036.db2.gz TXZAVGXVQUVXID-ROUUACIJSA-N 1 2 411.462 1.803 20 0 HDADLO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202644 1074218086 /nfs/dbraw/zinc/21/80/86/1074218086.db2.gz UPPYVCWKEQMBNR-MRXNPFEDSA-N 1 2 413.478 1.786 20 0 HDADLO O=C(Nc1ccccc1CN1C(=O)CCC1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202484 1074218430 /nfs/dbraw/zinc/21/84/30/1074218430.db2.gz AOUMVIHDSBRPAN-INIZCTEOSA-N 1 2 409.446 1.334 20 0 HDADLO COCC(=O)NC1CC[NH+](Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)CC1 ZINC000674249534 1074242808 /nfs/dbraw/zinc/24/28/08/1074242808.db2.gz YRNSBCQIHJZCLS-UHFFFAOYSA-N 1 2 405.524 1.248 20 0 HDADLO COC1CCC(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000674271205 1074251002 /nfs/dbraw/zinc/25/10/02/1074251002.db2.gz MZMHFBUAPFFKLO-UHFFFAOYSA-N 1 2 416.522 1.334 20 0 HDADLO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001626098801 1074287589 /nfs/dbraw/zinc/28/75/89/1074287589.db2.gz UYAFCSSTBIRQGN-OAHLLOKOSA-N 1 2 419.507 1.213 20 0 HDADLO O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000674368496 1074298550 /nfs/dbraw/zinc/29/85/50/1074298550.db2.gz OWQIQQJWYZZORY-IBGZPJMESA-N 1 2 408.458 1.521 20 0 HDADLO O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000674368496 1074298556 /nfs/dbraw/zinc/29/85/56/1074298556.db2.gz OWQIQQJWYZZORY-IBGZPJMESA-N 1 2 408.458 1.521 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000674392593 1074309350 /nfs/dbraw/zinc/30/93/50/1074309350.db2.gz FZBYLTPWWVRONJ-GOSISDBHSA-N 1 2 400.479 1.708 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000674396641 1074310720 /nfs/dbraw/zinc/31/07/20/1074310720.db2.gz UPBCWSSLIZFIGK-WBVHZDCISA-N 1 2 412.481 1.126 20 0 HDADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000674407279 1074316371 /nfs/dbraw/zinc/31/63/71/1074316371.db2.gz XOBOLJJYUMPJOM-SECBINFHSA-N 1 2 422.682 1.705 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)Cc3ccc4cc(OC)ccc4c3)CCN2C1=O ZINC000674467186 1074365140 /nfs/dbraw/zinc/36/51/40/1074365140.db2.gz BNADYXFBGKWHIF-FQEVSTJZSA-N 1 2 424.501 1.775 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)Cc3ccc4cc(OC)ccc4c3)CCN2C1=O ZINC000674467186 1074365151 /nfs/dbraw/zinc/36/51/51/1074365151.db2.gz BNADYXFBGKWHIF-FQEVSTJZSA-N 1 2 424.501 1.775 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3ccccc3OC3CCCC3)CCN2C1=O ZINC000674500849 1074394880 /nfs/dbraw/zinc/39/48/80/1074394880.db2.gz HOOIAMWXXWTHCK-GOSISDBHSA-N 1 2 414.506 1.593 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccccc3OC3CCCC3)CCN2C1=O ZINC000674500849 1074394887 /nfs/dbraw/zinc/39/48/87/1074394887.db2.gz HOOIAMWXXWTHCK-GOSISDBHSA-N 1 2 414.506 1.593 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000674502548 1074399638 /nfs/dbraw/zinc/39/96/38/1074399638.db2.gz ZRMQAGKLFNHJKZ-AWEZNQCLSA-N 1 2 413.305 1.620 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000674502548 1074399646 /nfs/dbraw/zinc/39/96/46/1074399646.db2.gz ZRMQAGKLFNHJKZ-AWEZNQCLSA-N 1 2 413.305 1.620 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCn2c3ccccc3[nH]c2=O)CC1 ZINC000674554480 1074437113 /nfs/dbraw/zinc/43/71/13/1074437113.db2.gz NDFBDWLGPOFMTA-UHFFFAOYSA-N 1 2 422.489 1.951 20 0 HDADLO C[C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000674658575 1074504797 /nfs/dbraw/zinc/50/47/97/1074504797.db2.gz JIZVCOPUZNOAGS-HNNXBMFYSA-N 1 2 406.508 1.361 20 0 HDADLO C[C@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668223 1074519310 /nfs/dbraw/zinc/51/93/10/1074519310.db2.gz UASILULDMWWSLB-KRWDZBQOSA-N 1 2 421.563 1.350 20 0 HDADLO C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668223 1074519314 /nfs/dbraw/zinc/51/93/14/1074519314.db2.gz UASILULDMWWSLB-KRWDZBQOSA-N 1 2 421.563 1.350 20 0 HDADLO C[C@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000674732812 1074542429 /nfs/dbraw/zinc/54/24/29/1074542429.db2.gz RGBFEKDIQOHMNW-OWCLPIDISA-N 1 2 400.516 1.994 20 0 HDADLO C[C@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000674732812 1074542436 /nfs/dbraw/zinc/54/24/36/1074542436.db2.gz RGBFEKDIQOHMNW-OWCLPIDISA-N 1 2 400.516 1.994 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)c1ccccc1 ZINC000674764386 1074557661 /nfs/dbraw/zinc/55/76/61/1074557661.db2.gz XOHCCVOJJDJPBC-QGZVFWFLSA-N 1 2 416.445 1.435 20 0 HDADLO Cn1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1=O ZINC000674763887 1074558707 /nfs/dbraw/zinc/55/87/07/1074558707.db2.gz JCHHMVHUJYEJKB-GFCCVEGCSA-N 1 2 408.256 1.147 20 0 HDADLO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000674785678 1074564806 /nfs/dbraw/zinc/56/48/06/1074564806.db2.gz HJJLWYWTSRNJOC-WMZOPIPTSA-N 1 2 412.527 1.949 20 0 HDADLO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000674785678 1074564813 /nfs/dbraw/zinc/56/48/13/1074564813.db2.gz HJJLWYWTSRNJOC-WMZOPIPTSA-N 1 2 412.527 1.949 20 0 HDADLO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC(OCCCO)CC3)CC2)cc1 ZINC000674914227 1074612897 /nfs/dbraw/zinc/61/28/97/1074612897.db2.gz UBZNQWLOHPUBBF-UHFFFAOYSA-N 1 2 419.566 1.593 20 0 HDADLO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC(OCCCO)CC3)CC2)cc1 ZINC000674914227 1074612909 /nfs/dbraw/zinc/61/29/09/1074612909.db2.gz UBZNQWLOHPUBBF-UHFFFAOYSA-N 1 2 419.566 1.593 20 0 HDADLO COc1ccc(CN2CCCN(C(=O)C[NH+]3CCC(OCCCO)CC3)CC2)cc1 ZINC000674914227 1074612914 /nfs/dbraw/zinc/61/29/14/1074612914.db2.gz UBZNQWLOHPUBBF-UHFFFAOYSA-N 1 2 419.566 1.593 20 0 HDADLO O=C(C[NH+]1CCC(NC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1)Nc1ccccc1 ZINC000674919215 1074621075 /nfs/dbraw/zinc/62/10/75/1074621075.db2.gz YFGGISLRNJFXTO-VQTJNVASSA-N 1 2 416.522 1.679 20 0 HDADLO Cc1c[nH+]c(N2CCO[C@H]([C@@H]3CCCO3)C2)nc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674935338 1074637216 /nfs/dbraw/zinc/63/72/16/1074637216.db2.gz PPELYAOCRRIHIN-VJANTYMQSA-N 1 2 404.511 1.553 20 0 HDADLO Cc1cc(N2CCN(C(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000568335345 1074675084 /nfs/dbraw/zinc/67/50/84/1074675084.db2.gz VAFLGTGPORFWAD-UHFFFAOYSA-N 1 2 411.510 1.807 20 0 HDADLO Cn1cc(C(=O)C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)cn1 ZINC001128932268 1074693224 /nfs/dbraw/zinc/69/32/24/1074693224.db2.gz RCUPIAMMDTTWFS-UHFFFAOYSA-N 1 2 407.272 1.151 20 0 HDADLO C[C@H](C(=O)NCc1ccc2c(c1)C(=O)NCC2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000543612934 1074709920 /nfs/dbraw/zinc/70/99/20/1074709920.db2.gz LURPPMPQLJORNC-MRXNPFEDSA-N 1 2 410.493 1.939 20 0 HDADLO O=C(N[C@H]1CC[C@@H](CO)CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675101094 1074718382 /nfs/dbraw/zinc/71/83/82/1074718382.db2.gz BXBYEQJMVOAVIU-FGTMMUONSA-N 1 2 418.542 1.132 20 0 HDADLO O=C(N[C@H]1CC[C@@H](CO)CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675101094 1074718391 /nfs/dbraw/zinc/71/83/91/1074718391.db2.gz BXBYEQJMVOAVIU-FGTMMUONSA-N 1 2 418.542 1.132 20 0 HDADLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490374702 1074753104 /nfs/dbraw/zinc/75/31/04/1074753104.db2.gz PAHKBKUVWODZQX-UHFFFAOYSA-N 1 2 419.367 1.848 20 0 HDADLO C[C@@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccncc1 ZINC000675217289 1074759824 /nfs/dbraw/zinc/75/98/24/1074759824.db2.gz LLPFKJHLCYMYBD-HKUYNNGSSA-N 1 2 410.522 1.987 20 0 HDADLO C[C@@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccncc1 ZINC000675217289 1074759827 /nfs/dbraw/zinc/75/98/27/1074759827.db2.gz LLPFKJHLCYMYBD-HKUYNNGSSA-N 1 2 410.522 1.987 20 0 HDADLO COc1ccc(-c2nnc(SCC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)o2)cc1 ZINC000675218912 1074760533 /nfs/dbraw/zinc/76/05/33/1074760533.db2.gz KMAWRRZZGGVYSA-OAHLLOKOSA-N 1 2 404.492 1.770 20 0 HDADLO O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000675218619 1074760902 /nfs/dbraw/zinc/76/09/02/1074760902.db2.gz QEXOPLLTLWWFKK-WOJBJXKFSA-N 1 2 415.534 1.627 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000675219171 1074760967 /nfs/dbraw/zinc/76/09/67/1074760967.db2.gz DWCQUNTXRQUADM-CVEARBPZSA-N 1 2 413.565 1.143 20 0 HDADLO COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000675219874 1074761967 /nfs/dbraw/zinc/76/19/67/1074761967.db2.gz QYTZQCPRAOKBJM-HOCLYGCPSA-N 1 2 407.898 1.635 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000675219451 1074762398 /nfs/dbraw/zinc/76/23/98/1074762398.db2.gz BFFNJHZZMDZPOG-QGZVFWFLSA-N 1 2 409.552 1.572 20 0 HDADLO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 ZINC000506282214 1074764385 /nfs/dbraw/zinc/76/43/85/1074764385.db2.gz QQJIDDOIDLWJIZ-MRXNPFEDSA-N 1 2 416.478 1.680 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000675267980 1074777099 /nfs/dbraw/zinc/77/70/99/1074777099.db2.gz UITKIYQTIOWNKP-NRFANRHFSA-N 1 2 424.549 1.778 20 0 HDADLO CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000675281187 1074785134 /nfs/dbraw/zinc/78/51/34/1074785134.db2.gz PFEHZOCHDXQPGI-YLJYHZDGSA-N 1 2 403.523 1.773 20 0 HDADLO O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280842 1074785204 /nfs/dbraw/zinc/78/52/04/1074785204.db2.gz LIRIKRBVUAFFGV-CQSZACIVSA-N 1 2 422.482 1.501 20 0 HDADLO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675296984 1074790743 /nfs/dbraw/zinc/79/07/43/1074790743.db2.gz SRIXJIOBDXRKRL-CJNGLKHVSA-N 1 2 417.416 1.247 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1nnc(-c2ccccc2)s1 ZINC000548482431 1074799371 /nfs/dbraw/zinc/79/93/71/1074799371.db2.gz COHXXMXOMZPNFJ-GOSISDBHSA-N 1 2 405.549 2.535 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000766105951 1074812015 /nfs/dbraw/zinc/81/20/15/1074812015.db2.gz WWCDTPZRRAMWII-FQEVSTJZSA-N 1 2 418.515 1.881 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000766105951 1074812022 /nfs/dbraw/zinc/81/20/22/1074812022.db2.gz WWCDTPZRRAMWII-FQEVSTJZSA-N 1 2 418.515 1.881 20 0 HDADLO CCOc1cc(Nc2[nH+]cnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1OC ZINC001212540853 1075092341 /nfs/dbraw/zinc/09/23/41/1075092341.db2.gz XPGZFIFJYDPBAZ-WOCWXWTJSA-N 1 2 416.434 1.194 20 0 HDADLO CCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446751432 1075122018 /nfs/dbraw/zinc/12/20/18/1075122018.db2.gz KMZZURXDMIMHKX-UHFFFAOYSA-N 1 2 417.485 1.732 20 0 HDADLO O=C(Nc1cc(F)ccc1OC(F)F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675396810 1075125974 /nfs/dbraw/zinc/12/59/74/1075125974.db2.gz HRCKSMQLHVFCLQ-ZDUSSCGKSA-N 1 2 401.385 1.689 20 0 HDADLO Cc1cc(NC(=O)N2CC[NH+](CCO)CC2)nn1CCCOc1ccc(F)cc1 ZINC000504622586 1075157974 /nfs/dbraw/zinc/15/79/74/1075157974.db2.gz UEXUZNVUENBSOZ-UHFFFAOYSA-N 1 2 405.474 1.942 20 0 HDADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000429255506 1075168316 /nfs/dbraw/zinc/16/83/16/1075168316.db2.gz TYKIXAJQCVLGBD-INIZCTEOSA-N 1 2 414.481 1.517 20 0 HDADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000429255506 1075168317 /nfs/dbraw/zinc/16/83/17/1075168317.db2.gz TYKIXAJQCVLGBD-INIZCTEOSA-N 1 2 414.481 1.517 20 0 HDADLO COC[C@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000675488835 1075174623 /nfs/dbraw/zinc/17/46/23/1075174623.db2.gz FNEZYVRLNYRVNC-KRWDZBQOSA-N 1 2 402.882 1.888 20 0 HDADLO C[C@H]1CN(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)[C@@H](C)CO1 ZINC000509249482 1075176725 /nfs/dbraw/zinc/17/67/25/1075176725.db2.gz RBHPFRBXVLCXMX-VGWMRTNUSA-N 1 2 405.561 1.946 20 0 HDADLO C[C@H]1CN(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)[C@@H](C)CO1 ZINC000509249482 1075176730 /nfs/dbraw/zinc/17/67/30/1075176730.db2.gz RBHPFRBXVLCXMX-VGWMRTNUSA-N 1 2 405.561 1.946 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000675519506 1075184918 /nfs/dbraw/zinc/18/49/18/1075184918.db2.gz HNTFSKXPYBSMCQ-SZVBFZGTSA-N 1 2 414.506 1.087 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000474707810 1075186991 /nfs/dbraw/zinc/18/69/91/1075186991.db2.gz KKGVZXWLRFJFQN-QFIPXVFZSA-N 1 2 413.522 1.817 20 0 HDADLO O=C(C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1)Nc1ccccc1 ZINC000675585116 1075213725 /nfs/dbraw/zinc/21/37/25/1075213725.db2.gz CLAKSGUQXOMLNW-UHFFFAOYSA-N 1 2 424.505 1.451 20 0 HDADLO C[C@H](CS(C)(=O)=O)N(C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000675567137 1075217549 /nfs/dbraw/zinc/21/75/49/1075217549.db2.gz SNQXWAFLGGCTQG-OAHLLOKOSA-N 1 2 422.551 1.504 20 0 HDADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000470355619 1075260956 /nfs/dbraw/zinc/26/09/56/1075260956.db2.gz PSHAKLGGCMNBBC-HNNXBMFYSA-N 1 2 416.482 1.833 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000429374380 1075262702 /nfs/dbraw/zinc/26/27/02/1075262702.db2.gz VKLKHFHURDUAHH-UHFFFAOYSA-N 1 2 410.496 1.158 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000429374380 1075262707 /nfs/dbraw/zinc/26/27/07/1075262707.db2.gz VKLKHFHURDUAHH-UHFFFAOYSA-N 1 2 410.496 1.158 20 0 HDADLO CCOC(=O)Cc1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000470407659 1075267156 /nfs/dbraw/zinc/26/71/56/1075267156.db2.gz HTHOKMOTEJKQMG-UHFFFAOYSA-N 1 2 401.467 1.965 20 0 HDADLO Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)n2)cc1 ZINC000675784796 1075271179 /nfs/dbraw/zinc/27/11/79/1075271179.db2.gz BAYAQKJJPYYZJV-IRXDYDNUSA-N 1 2 401.536 1.930 20 0 HDADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000543650612 1075284168 /nfs/dbraw/zinc/28/41/68/1075284168.db2.gz LMTKYFVOGGLDLL-INIZCTEOSA-N 1 2 401.960 1.776 20 0 HDADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000543650612 1075284172 /nfs/dbraw/zinc/28/41/72/1075284172.db2.gz LMTKYFVOGGLDLL-INIZCTEOSA-N 1 2 401.960 1.776 20 0 HDADLO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000429382999 1075297811 /nfs/dbraw/zinc/29/78/11/1075297811.db2.gz DGVSPLVKDFLLIN-MSOLQXFVSA-N 1 2 406.914 1.952 20 0 HDADLO Cn1c(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nc2cc(Cl)ccc21 ZINC000675970370 1075312696 /nfs/dbraw/zinc/31/26/96/1075312696.db2.gz LHEIOCYBUFYXQE-CQSZACIVSA-N 1 2 400.870 1.903 20 0 HDADLO CCOC(=O)c1cn(C)nc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000544259770 1075320666 /nfs/dbraw/zinc/32/06/66/1075320666.db2.gz RBTSPQZQHMBJGF-INIZCTEOSA-N 1 2 401.467 1.619 20 0 HDADLO CCOC(=O)c1cn(C)nc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000544259770 1075320670 /nfs/dbraw/zinc/32/06/70/1075320670.db2.gz RBTSPQZQHMBJGF-INIZCTEOSA-N 1 2 401.467 1.619 20 0 HDADLO Cc1noc(C)c1C[NH+]1CCN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000509376820 1075324643 /nfs/dbraw/zinc/32/46/43/1075324643.db2.gz AECYYSFTEZJZSL-IBGZPJMESA-N 1 2 407.540 1.339 20 0 HDADLO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000429390762 1075332564 /nfs/dbraw/zinc/33/25/64/1075332564.db2.gz WTNYLEPXKUGUCO-WBHWENKQSA-N 1 2 419.555 1.275 20 0 HDADLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)Nc1ccn(C(C)C)n1)CC2 ZINC000483915763 1075342538 /nfs/dbraw/zinc/34/25/38/1075342538.db2.gz UBKAVHSLHSURCC-UHFFFAOYSA-N 1 2 415.494 1.594 20 0 HDADLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)Nc1ccn(C(C)C)n1)CC2 ZINC000483915763 1075342540 /nfs/dbraw/zinc/34/25/40/1075342540.db2.gz UBKAVHSLHSURCC-UHFFFAOYSA-N 1 2 415.494 1.594 20 0 HDADLO O=C(CCNC(=O)C(=O)N1CCC2(CCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804080429 1075347092 /nfs/dbraw/zinc/34/70/92/1075347092.db2.gz DAWQSJBILNRJSK-UHFFFAOYSA-N 1 2 413.522 1.029 20 0 HDADLO CCOC(=O)c1cn(CN2CC[NH+](Cc3cnn(C)c3)CC2)nc1C(F)(F)F ZINC000731495672 1075368250 /nfs/dbraw/zinc/36/82/50/1075368250.db2.gz HNMNPVZYCXJTJB-UHFFFAOYSA-N 1 2 400.405 1.587 20 0 HDADLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000470214511 1075383226 /nfs/dbraw/zinc/38/32/26/1075383226.db2.gz PRPHMJUDTHXQIT-UHFFFAOYSA-N 1 2 403.570 1.023 20 0 HDADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)C[C@H](C)O1 ZINC000731572761 1075391587 /nfs/dbraw/zinc/39/15/87/1075391587.db2.gz DJSZVTDCXITONV-GJZGRUSLSA-N 1 2 402.470 1.989 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000804092376 1075391607 /nfs/dbraw/zinc/39/16/07/1075391607.db2.gz JQZVZZDHCMTNAC-ZNMIVQPWSA-N 1 2 405.499 1.266 20 0 HDADLO CN(CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)S(C)(=O)=O ZINC000676143464 1075397430 /nfs/dbraw/zinc/39/74/30/1075397430.db2.gz VZDQCWNXTJAWOH-ZWKOTPCHSA-N 1 2 405.524 1.692 20 0 HDADLO CC[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1nnc2n1CCCCC2 ZINC000804101043 1075401625 /nfs/dbraw/zinc/40/16/25/1075401625.db2.gz KAOGYRKETYJDFO-HOTGVXAUSA-N 1 2 413.526 1.712 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)n2)cc1 ZINC000547975926 1075404195 /nfs/dbraw/zinc/40/41/95/1075404195.db2.gz JSRBFEIRAOSNTE-HXUWFJFHSA-N 1 2 419.485 2.181 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)n2)cc1 ZINC000547975926 1075404200 /nfs/dbraw/zinc/40/42/00/1075404200.db2.gz JSRBFEIRAOSNTE-HXUWFJFHSA-N 1 2 419.485 2.181 20 0 HDADLO CCSCc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000441154403 1075406354 /nfs/dbraw/zinc/40/63/54/1075406354.db2.gz HSKDNFICEYZGEA-UHFFFAOYSA-N 1 2 417.535 2.046 20 0 HDADLO CCSc1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000556389448 1075409094 /nfs/dbraw/zinc/40/90/94/1075409094.db2.gz IIZPWIDJKPNHIB-UHFFFAOYSA-N 1 2 417.535 1.582 20 0 HDADLO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466720005 1075421340 /nfs/dbraw/zinc/42/13/40/1075421340.db2.gz YNTSVKJFGVLUBL-OWCLPIDISA-N 1 2 408.520 1.892 20 0 HDADLO CC1CCC(N2C[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2=O)CC1 ZINC000731650312 1075430907 /nfs/dbraw/zinc/43/09/07/1075430907.db2.gz BHFBYNRNILVLMZ-UPTPFMHGSA-N 1 2 413.584 1.039 20 0 HDADLO CC(C)(C)n1ccnc1SCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650360 1075431355 /nfs/dbraw/zinc/43/13/55/1075431355.db2.gz FQUVCWFOKRRHTH-UHFFFAOYSA-N 1 2 402.586 1.355 20 0 HDADLO COc1ccc(Cn2cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cn2)cc1 ZINC000731650166 1075431764 /nfs/dbraw/zinc/43/17/64/1075431764.db2.gz GPDAEJGJBSLQJG-UHFFFAOYSA-N 1 2 420.535 1.179 20 0 HDADLO Cc1cc(C)n(Cc2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2)n1 ZINC000731651205 1075433561 /nfs/dbraw/zinc/43/35/61/1075433561.db2.gz YJMPJEDRGOWGQQ-UHFFFAOYSA-N 1 2 418.563 1.787 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000731650824 1075435399 /nfs/dbraw/zinc/43/53/99/1075435399.db2.gz LBJVQVFJLLLBIQ-UHFFFAOYSA-N 1 2 411.471 1.932 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccnc2OCC(F)(F)F)CC1 ZINC000731650720 1075435683 /nfs/dbraw/zinc/43/56/83/1075435683.db2.gz HHWONZJNQFISBQ-UHFFFAOYSA-N 1 2 409.430 1.262 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000731650502 1075435713 /nfs/dbraw/zinc/43/57/13/1075435713.db2.gz PGYIRZUJDKOTJF-UHFFFAOYSA-N 1 2 408.442 1.867 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000676222676 1075437301 /nfs/dbraw/zinc/43/73/01/1075437301.db2.gz XSYQVHYWGFXESB-UHFFFAOYSA-N 1 2 409.288 1.979 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000676241573 1075443537 /nfs/dbraw/zinc/44/35/37/1075443537.db2.gz QTNBURSLSHPTEO-MLGOLLRUSA-N 1 2 400.501 1.297 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000676241573 1075443544 /nfs/dbraw/zinc/44/35/44/1075443544.db2.gz QTNBURSLSHPTEO-MLGOLLRUSA-N 1 2 400.501 1.297 20 0 HDADLO Cc1cc(C)c(NC(=O)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)c1 ZINC000731686379 1075446293 /nfs/dbraw/zinc/44/62/93/1075446293.db2.gz SYBLXAGGSGBLSZ-UHFFFAOYSA-N 1 2 424.567 1.359 20 0 HDADLO C[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](c2ccccc2)O1 ZINC000731686213 1075447523 /nfs/dbraw/zinc/44/75/23/1075447523.db2.gz OLBVJUDNGAKXPE-LPHOPBHVSA-N 1 2 409.552 1.667 20 0 HDADLO CCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686170 1075447585 /nfs/dbraw/zinc/44/75/85/1075447585.db2.gz MGMWHWAHNHYBQX-UHFFFAOYSA-N 1 2 411.524 1.456 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCCc3ccccc32)CC1 ZINC000731685836 1075447914 /nfs/dbraw/zinc/44/79/14/1075447914.db2.gz CWWVTOOCTRSQEH-FQEVSTJZSA-N 1 2 409.552 1.019 20 0 HDADLO COc1ccc(CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1F ZINC000731685823 1075448075 /nfs/dbraw/zinc/44/80/75/1075448075.db2.gz CLAWAZFPQMFTSQ-UHFFFAOYSA-N 1 2 401.504 1.485 20 0 HDADLO C[C@@H]1Cc2ccccc2N1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685903 1075448538 /nfs/dbraw/zinc/44/85/38/1075448538.db2.gz KYINXODBYDRPDZ-MRXNPFEDSA-N 1 2 408.568 1.246 20 0 HDADLO COC(=O)c1ccc(CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731686572 1075448883 /nfs/dbraw/zinc/44/88/83/1075448883.db2.gz ZXYUVUIFFNHMLK-UHFFFAOYSA-N 1 2 411.524 1.124 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000731686661 1075450161 /nfs/dbraw/zinc/45/01/61/1075450161.db2.gz JCTDYAVZINKGKP-FQEVSTJZSA-N 1 2 423.579 1.651 20 0 HDADLO C[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000676259013 1075454912 /nfs/dbraw/zinc/45/49/12/1075454912.db2.gz ZEZFIUSLGIVQOL-SMDDNHRTSA-N 1 2 424.350 1.497 20 0 HDADLO C[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000676259013 1075454915 /nfs/dbraw/zinc/45/49/15/1075454915.db2.gz ZEZFIUSLGIVQOL-SMDDNHRTSA-N 1 2 424.350 1.497 20 0 HDADLO COc1ccc([C@H](C)CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438298820 1075455689 /nfs/dbraw/zinc/45/56/89/1075455689.db2.gz APYHDVIBUTYQBQ-QGZVFWFLSA-N 1 2 401.511 2.539 20 0 HDADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000731672337 1075456324 /nfs/dbraw/zinc/45/63/24/1075456324.db2.gz OUGHMFDZBYDLBW-VQCBNXJZSA-N 1 2 413.540 1.908 20 0 HDADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000731672337 1075456329 /nfs/dbraw/zinc/45/63/29/1075456329.db2.gz OUGHMFDZBYDLBW-VQCBNXJZSA-N 1 2 413.540 1.908 20 0 HDADLO COc1ccc([C@H](CNc2nc(C)[nH+]c(N(C)C)n2)N2CCOCC2)cc1OC ZINC000488407288 1075456951 /nfs/dbraw/zinc/45/69/51/1075456951.db2.gz MRXCCHXHZKVEDJ-INIZCTEOSA-N 1 2 402.499 1.749 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000731680502 1075462333 /nfs/dbraw/zinc/46/23/33/1075462333.db2.gz OGOZZNZSMAXNNB-MRXNPFEDSA-N 1 2 403.932 1.182 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(Cn3cccn3)cc2)CC1 ZINC000731680349 1075462430 /nfs/dbraw/zinc/46/24/30/1075462430.db2.gz LAXPNYXXSDKBSK-UHFFFAOYSA-N 1 2 419.551 1.240 20 0 HDADLO C[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)N1CCc2ccccc21 ZINC000731680795 1075464641 /nfs/dbraw/zinc/46/46/41/1075464641.db2.gz XKNXBTJFMPKLLP-INIZCTEOSA-N 1 2 408.568 1.246 20 0 HDADLO CC[C@@H](c1nnc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)s1)c1ccccc1 ZINC000435133757 1075466283 /nfs/dbraw/zinc/46/62/83/1075466283.db2.gz SQFKKDMPXDJOMI-IAGOWNOFSA-N 1 2 419.551 2.237 20 0 HDADLO COc1cccc(N2CC[C@@H](NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)c1 ZINC000731683537 1075467025 /nfs/dbraw/zinc/46/70/25/1075467025.db2.gz DKAVNSKXJSQPKE-QGZVFWFLSA-N 1 2 424.567 1.082 20 0 HDADLO Cc1nc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nc2ccccc12 ZINC000731683689 1075468230 /nfs/dbraw/zinc/46/82/30/1075468230.db2.gz XFQDAORSMSSOHO-UHFFFAOYSA-N 1 2 405.524 1.246 20 0 HDADLO COc1cccc2c1OCC[C@@H]2NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683715 1075468754 /nfs/dbraw/zinc/46/87/54/1075468754.db2.gz YFBMOVQFDPADNC-INIZCTEOSA-N 1 2 411.524 1.327 20 0 HDADLO COCCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000676270820 1075473427 /nfs/dbraw/zinc/47/34/27/1075473427.db2.gz GZSQFSANXDRMLU-UHFFFAOYSA-N 1 2 405.499 1.233 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000676273084 1075474146 /nfs/dbraw/zinc/47/41/46/1075474146.db2.gz WASWMIYOQYGUAD-RISCZKNCSA-N 1 2 416.400 1.343 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000676275036 1075474757 /nfs/dbraw/zinc/47/47/57/1075474757.db2.gz GVKWREVJAPQFPI-QGZVFWFLSA-N 1 2 404.511 1.877 20 0 HDADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](NC(=O)C3CC3)[C@@H](C)O)[nH+]c12 ZINC000546823617 1075478880 /nfs/dbraw/zinc/47/88/80/1075478880.db2.gz NVCRYBNXJJDYMI-ABAIWWIYSA-N 1 2 423.311 1.340 20 0 HDADLO COc1cccc(N2CCN(CC(=O)Nc3nc(C[NH+]4CCCC4)cs3)CC2)c1 ZINC000051427097 1075484733 /nfs/dbraw/zinc/48/47/33/1075484733.db2.gz QCWZOYXIDTVKAZ-UHFFFAOYSA-N 1 2 415.563 2.508 20 0 HDADLO C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676306651 1075504395 /nfs/dbraw/zinc/50/43/95/1075504395.db2.gz MJCLYHQEOTVPNI-SVFBPWRDSA-N 1 2 404.555 1.638 20 0 HDADLO C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676306651 1075504398 /nfs/dbraw/zinc/50/43/98/1075504398.db2.gz MJCLYHQEOTVPNI-SVFBPWRDSA-N 1 2 404.555 1.638 20 0 HDADLO COc1cccc(OCCN2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676308106 1075505245 /nfs/dbraw/zinc/50/52/45/1075505245.db2.gz VBIVARBOYIEJKC-XLIONFOSSA-N 1 2 406.527 1.120 20 0 HDADLO COc1cccc(OCCN2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676308106 1075505250 /nfs/dbraw/zinc/50/52/50/1075505250.db2.gz VBIVARBOYIEJKC-XLIONFOSSA-N 1 2 406.527 1.120 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000731751603 1075508290 /nfs/dbraw/zinc/50/82/90/1075508290.db2.gz UPFOYTRKIYLQNK-UHFFFAOYSA-N 1 2 408.524 1.444 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000429422030 1075509119 /nfs/dbraw/zinc/50/91/19/1075509119.db2.gz GSPRYOKAOFJJOW-MJGOQNOKSA-N 1 2 400.523 1.682 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000731753701 1075511138 /nfs/dbraw/zinc/51/11/38/1075511138.db2.gz QIGBVJQCYZGKMC-UHFFFAOYSA-N 1 2 422.551 1.440 20 0 HDADLO CCc1c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cnn1-c1ccccc1OC ZINC000469966106 1075512553 /nfs/dbraw/zinc/51/25/53/1075512553.db2.gz WRMSWFCWSVEMQF-UHFFFAOYSA-N 1 2 424.505 2.224 20 0 HDADLO O=C([C@H]1CCCN(c2ncnc3sccc32)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340658 1075514318 /nfs/dbraw/zinc/51/43/18/1075514318.db2.gz CEQRPPSCTFSPFL-HOTGVXAUSA-N 1 2 401.536 1.841 20 0 HDADLO CC(C)[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1nc(C2CC2)no1 ZINC000731759997 1075514608 /nfs/dbraw/zinc/51/46/08/1075514608.db2.gz ZCVNYAPAYJNHLV-HNNXBMFYSA-N 1 2 413.544 1.452 20 0 HDADLO COCCNC(=O)CSc1ccccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676341575 1075515256 /nfs/dbraw/zinc/51/52/56/1075515256.db2.gz VGKFFZRATVLKAD-INIZCTEOSA-N 1 2 407.536 1.088 20 0 HDADLO Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000676341517 1075515575 /nfs/dbraw/zinc/51/55/75/1075515575.db2.gz STVUJGFKSHEQDB-NVXWUHKLSA-N 1 2 401.536 1.902 20 0 HDADLO O=C(c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676343258 1075515656 /nfs/dbraw/zinc/51/56/56/1075515656.db2.gz ZKBJJMOBJLKLMN-SFHVURJKSA-N 1 2 420.469 1.425 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000731765445 1075518884 /nfs/dbraw/zinc/51/88/84/1075518884.db2.gz QYVLDQIKMXDSJM-UHFFFAOYSA-N 1 2 421.441 1.269 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000731765059 1075518897 /nfs/dbraw/zinc/51/88/97/1075518897.db2.gz MCHNYBUIMZOWFP-UHFFFAOYSA-N 1 2 407.536 1.129 20 0 HDADLO C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000676346580 1075519893 /nfs/dbraw/zinc/51/98/93/1075519893.db2.gz AKJGMYTYSOOSBA-PXAZEXFGSA-N 1 2 410.471 1.404 20 0 HDADLO C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676346580 1075519895 /nfs/dbraw/zinc/51/98/95/1075519895.db2.gz AKJGMYTYSOOSBA-PXAZEXFGSA-N 1 2 410.471 1.404 20 0 HDADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000676348688 1075520998 /nfs/dbraw/zinc/52/09/98/1075520998.db2.gz RAHASIPGDMQFNU-YSSFQJQWSA-N 1 2 411.502 1.985 20 0 HDADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000676348688 1075521002 /nfs/dbraw/zinc/52/10/02/1075521002.db2.gz RAHASIPGDMQFNU-YSSFQJQWSA-N 1 2 411.502 1.985 20 0 HDADLO COc1nc(NCc2ccccc2OCC[NH+]2CCOCC2)ncc1Br ZINC000444119915 1075525449 /nfs/dbraw/zinc/52/54/49/1075525449.db2.gz SQFNYPVHHPXXSR-UHFFFAOYSA-N 1 2 423.311 2.571 20 0 HDADLO O=C(c1ccccc1OC(F)F)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676387603 1075534836 /nfs/dbraw/zinc/53/48/36/1075534836.db2.gz FQGFMKNZJCEYRX-WBVHZDCISA-N 1 2 423.460 1.826 20 0 HDADLO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccn1 ZINC000676391241 1075535368 /nfs/dbraw/zinc/53/53/68/1075535368.db2.gz WYTVTQZOEBLULP-SJLPKXTDSA-N 1 2 404.511 1.198 20 0 HDADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676375491 1075537037 /nfs/dbraw/zinc/53/70/37/1075537037.db2.gz LZMIXVWTSNCFPB-HNNXBMFYSA-N 1 2 405.414 1.863 20 0 HDADLO O=C(Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)Nc1cccnc1Cl ZINC000731836233 1075543534 /nfs/dbraw/zinc/54/35/34/1075543534.db2.gz FIWUECPZBPVHNA-INIZCTEOSA-N 1 2 413.869 1.934 20 0 HDADLO O=C(Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)Nc1cccnc1Cl ZINC000731836233 1075543540 /nfs/dbraw/zinc/54/35/40/1075543540.db2.gz FIWUECPZBPVHNA-INIZCTEOSA-N 1 2 413.869 1.934 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000731838587 1075544460 /nfs/dbraw/zinc/54/44/60/1075544460.db2.gz LWWRUZPBJVRWPH-UHFFFAOYSA-N 1 2 420.988 1.636 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Br)ccc2O)CC1 ZINC000731838875 1075545742 /nfs/dbraw/zinc/54/57/42/1075545742.db2.gz NOXKUZNQHGIMMT-UHFFFAOYSA-N 1 2 405.314 1.394 20 0 HDADLO Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c12 ZINC000521802730 1075553258 /nfs/dbraw/zinc/55/32/58/1075553258.db2.gz WYTUUZTTXPSRTC-UHFFFAOYSA-N 1 2 409.494 1.935 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)C1 ZINC000543672854 1075554250 /nfs/dbraw/zinc/55/42/50/1075554250.db2.gz HNDYAJWUGGYJSG-MRXNPFEDSA-N 1 2 400.504 1.824 20 0 HDADLO CN(CCCC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1)C(=O)c1ccncc1 ZINC001129215364 1075561743 /nfs/dbraw/zinc/56/17/43/1075561743.db2.gz DFRVWCIPGBOZNM-UHFFFAOYSA-N 1 2 406.446 1.857 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(N[C@@H]3CCN(c4ccccc4)C3)c[nH+]2)CC1 ZINC000676496369 1075573274 /nfs/dbraw/zinc/57/32/74/1075573274.db2.gz YECWENWQKMPYDX-GOSISDBHSA-N 1 2 401.536 1.854 20 0 HDADLO Cc1cc(C)n2c(CNc3ccc(N4CCN(S(C)(=O)=O)CC4)[nH+]c3)cnc2n1 ZINC000676495768 1075573577 /nfs/dbraw/zinc/57/35/77/1075573577.db2.gz UBQISFUBBWOWKT-UHFFFAOYSA-N 1 2 415.523 1.435 20 0 HDADLO CC(=O)Nc1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cc1 ZINC000676495752 1075573659 /nfs/dbraw/zinc/57/36/59/1075573659.db2.gz SLBDUUASJTWXNG-UHFFFAOYSA-N 1 2 403.508 1.734 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cnn(-c2ccccc2)c1 ZINC000731965559 1075578121 /nfs/dbraw/zinc/57/81/21/1075578121.db2.gz MYCPQIBEYDHROE-HXUWFJFHSA-N 1 2 412.490 1.629 20 0 HDADLO Cn1ccnc1[C@](O)(CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C(F)(F)F ZINC000731967944 1075579203 /nfs/dbraw/zinc/57/92/03/1075579203.db2.gz BIYDWYDAWHPROM-CXAGYDPISA-N 1 2 414.432 1.671 20 0 HDADLO Cn1ccnc1[C@](O)(CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C(F)(F)F ZINC000731967944 1075579205 /nfs/dbraw/zinc/57/92/05/1075579205.db2.gz BIYDWYDAWHPROM-CXAGYDPISA-N 1 2 414.432 1.671 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)c1 ZINC000731970026 1075579619 /nfs/dbraw/zinc/57/96/19/1075579619.db2.gz AVVZGENFHANDNK-IZRJCCQOSA-N 1 2 408.502 1.953 20 0 HDADLO O=S1(=O)N=C(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c2ccccc21 ZINC000731976728 1075581649 /nfs/dbraw/zinc/58/16/49/1075581649.db2.gz VRAZTZIZVPSVGZ-UHFFFAOYSA-N 1 2 412.519 1.738 20 0 HDADLO CC[C@@H]1c2ccccc2CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000676550617 1075583538 /nfs/dbraw/zinc/58/35/38/1075583538.db2.gz PYRNFHNCSURUAV-HXUWFJFHSA-N 1 2 411.506 1.690 20 0 HDADLO CN(C(=O)c1ccncc1)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000804168772 1075590861 /nfs/dbraw/zinc/59/08/61/1075590861.db2.gz LVYOMPBNZIBSJL-SFHVURJKSA-N 1 2 404.430 1.744 20 0 HDADLO CN(C(=O)c1ccncc1)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000804168772 1075590865 /nfs/dbraw/zinc/59/08/65/1075590865.db2.gz LVYOMPBNZIBSJL-SFHVURJKSA-N 1 2 404.430 1.744 20 0 HDADLO CC1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]1c1ccccc1 ZINC000676547501 1075594140 /nfs/dbraw/zinc/59/41/40/1075594140.db2.gz PDXZUPDISJGEOL-LJQANCHMSA-N 1 2 411.506 1.764 20 0 HDADLO CC(C)(CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000676548165 1075594431 /nfs/dbraw/zinc/59/44/31/1075594431.db2.gz MFVFVZISAFYVLK-UHFFFAOYSA-N 1 2 413.522 1.638 20 0 HDADLO COC1(CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCOCC1 ZINC000676564000 1075602601 /nfs/dbraw/zinc/60/26/01/1075602601.db2.gz OSBVCNAKRPHHEX-UHFFFAOYSA-N 1 2 404.511 1.584 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000548946476 1075620708 /nfs/dbraw/zinc/62/07/08/1075620708.db2.gz OFXKUHIZRWOGLN-UHFFFAOYSA-N 1 2 407.496 2.025 20 0 HDADLO O=C(NCc1cc2c(cc1OC(F)F)OCO2)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676669317 1075637602 /nfs/dbraw/zinc/63/76/02/1075637602.db2.gz PLCZCGRCJVOBKG-ZDUSSCGKSA-N 1 2 422.388 1.693 20 0 HDADLO O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165387 1075644166 /nfs/dbraw/zinc/64/41/66/1075644166.db2.gz LGQJZIRYFHOVLO-MRXNPFEDSA-N 1 2 412.519 1.530 20 0 HDADLO O=C(CNC(=O)OCC(F)(F)F)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732166052 1075644212 /nfs/dbraw/zinc/64/42/12/1075644212.db2.gz SNTCJMITEWYJDT-OAHLLOKOSA-N 1 2 403.401 1.335 20 0 HDADLO Cn1ncc2c1nc(CCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[nH]c2=O ZINC000732166336 1075644583 /nfs/dbraw/zinc/64/45/83/1075644583.db2.gz YOPYWYFJKLURLV-QGZVFWFLSA-N 1 2 424.505 1.061 20 0 HDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676717582 1075658729 /nfs/dbraw/zinc/65/87/29/1075658729.db2.gz WMTKQSBNNNVXJJ-UGSOOPFHSA-N 1 2 417.535 1.355 20 0 HDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676717582 1075658732 /nfs/dbraw/zinc/65/87/32/1075658732.db2.gz WMTKQSBNNNVXJJ-UGSOOPFHSA-N 1 2 417.535 1.355 20 0 HDADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000676725917 1075661959 /nfs/dbraw/zinc/66/19/59/1075661959.db2.gz TVFLPPDYFGRRSQ-TZMCWYRMSA-N 1 2 401.558 1.530 20 0 HDADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000676725917 1075661961 /nfs/dbraw/zinc/66/19/61/1075661961.db2.gz TVFLPPDYFGRRSQ-TZMCWYRMSA-N 1 2 401.558 1.530 20 0 HDADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000676725914 1075661969 /nfs/dbraw/zinc/66/19/69/1075661969.db2.gz TVFLPPDYFGRRSQ-GXTWGEPZSA-N 1 2 401.558 1.530 20 0 HDADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000676725914 1075661971 /nfs/dbraw/zinc/66/19/71/1075661971.db2.gz TVFLPPDYFGRRSQ-GXTWGEPZSA-N 1 2 401.558 1.530 20 0 HDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C[C@@H](C)O1 ZINC000732207903 1075665016 /nfs/dbraw/zinc/66/50/16/1075665016.db2.gz CMVABHNISBHTLS-WDNPAAFGSA-N 1 2 421.563 1.631 20 0 HDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C[C@@H](C)O1 ZINC000732207903 1075665018 /nfs/dbraw/zinc/66/50/18/1075665018.db2.gz CMVABHNISBHTLS-WDNPAAFGSA-N 1 2 421.563 1.631 20 0 HDADLO CCOC(=O)C1=C(C[N@H+](C)CCn2cccn2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000732209800 1075666191 /nfs/dbraw/zinc/66/61/91/1075666191.db2.gz SRQMHMHTHJGYGM-IBGZPJMESA-N 1 2 413.478 1.695 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+](C)CCn2cccn2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000732209800 1075666197 /nfs/dbraw/zinc/66/61/97/1075666197.db2.gz SRQMHMHTHJGYGM-IBGZPJMESA-N 1 2 413.478 1.695 20 0 HDADLO CCOC(=O)C1C(C[N@H+](C)CCn2cccn2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000732209800 1075666199 /nfs/dbraw/zinc/66/61/99/1075666199.db2.gz SRQMHMHTHJGYGM-IBGZPJMESA-N 1 2 413.478 1.695 20 0 HDADLO CCOC(=O)C1C(C[N@@H+](C)CCn2cccn2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000732209800 1075666202 /nfs/dbraw/zinc/66/62/02/1075666202.db2.gz SRQMHMHTHJGYGM-IBGZPJMESA-N 1 2 413.478 1.695 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000732210690 1075667265 /nfs/dbraw/zinc/66/72/65/1075667265.db2.gz CWJLONNYVHEAGV-QGZVFWFLSA-N 1 2 422.551 1.352 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000732210690 1075667269 /nfs/dbraw/zinc/66/72/69/1075667269.db2.gz CWJLONNYVHEAGV-QGZVFWFLSA-N 1 2 422.551 1.352 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccncc1OCc1ccccc1 ZINC000509250422 1075692858 /nfs/dbraw/zinc/69/28/58/1075692858.db2.gz HRIXMRPYRMKLBR-HXUWFJFHSA-N 1 2 414.506 1.495 20 0 HDADLO CCCCNc1cc(N2CCN(S(=O)(=O)N(CCC)CCC)CC2)nc(N)[nH+]1 ZINC000553583195 1075694128 /nfs/dbraw/zinc/69/41/28/1075694128.db2.gz LSHRWASNPOOQBR-UHFFFAOYSA-N 1 2 413.592 1.760 20 0 HDADLO CCCCNc1cc(N2CCN(S(=O)(=O)N(CCC)CCC)CC2)[nH+]c(N)n1 ZINC000553583195 1075694130 /nfs/dbraw/zinc/69/41/30/1075694130.db2.gz LSHRWASNPOOQBR-UHFFFAOYSA-N 1 2 413.592 1.760 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2)cc1 ZINC000438520353 1075704031 /nfs/dbraw/zinc/70/40/31/1075704031.db2.gz ZXYFPYGQRLGCQZ-QGZVFWFLSA-N 1 2 424.553 1.634 20 0 HDADLO COc1cccc([C@H](O)C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000732346427 1075717376 /nfs/dbraw/zinc/71/73/76/1075717376.db2.gz GVSQADVAWKATTM-NRFANRHFSA-N 1 2 414.458 1.743 20 0 HDADLO Nc1nccc([C@@H]2CCC[N@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000583393397 1075719777 /nfs/dbraw/zinc/71/97/77/1075719777.db2.gz BKVVITPIKHBGEH-GFCCVEGCSA-N 1 2 404.421 1.271 20 0 HDADLO Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000583393397 1075719779 /nfs/dbraw/zinc/71/97/79/1075719779.db2.gz BKVVITPIKHBGEH-GFCCVEGCSA-N 1 2 404.421 1.271 20 0 HDADLO Nc1nc(CN2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)nc2ccccc12 ZINC000532553763 1075726005 /nfs/dbraw/zinc/72/60/05/1075726005.db2.gz YMYAEEVYFZYWSU-UHFFFAOYSA-N 1 2 408.510 1.716 20 0 HDADLO COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397280 1075732760 /nfs/dbraw/zinc/73/27/60/1075732760.db2.gz OTFQHNKNKCCQHU-DLBZAZTESA-N 1 2 419.522 1.734 20 0 HDADLO CC(=O)N[C@@H](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)cccc1F ZINC000520912530 1075734549 /nfs/dbraw/zinc/73/45/49/1075734549.db2.gz HEVJHZDHAVULFN-KRWDZBQOSA-N 1 2 421.448 1.700 20 0 HDADLO COc1cccc([C@@H](O)CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000732416180 1075739624 /nfs/dbraw/zinc/73/96/24/1075739624.db2.gz HOROEFFROOGXJD-FQEVSTJZSA-N 1 2 412.490 1.938 20 0 HDADLO CCOC(=O)N1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732440202 1075744724 /nfs/dbraw/zinc/74/47/24/1075744724.db2.gz DKTCSZJLOJLMMB-FQEVSTJZSA-N 1 2 418.538 1.850 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)NC1CCC2(CC1)OCCO2 ZINC000732446298 1075747359 /nfs/dbraw/zinc/74/73/59/1075747359.db2.gz LAHHJXHJZCIFRK-FQEVSTJZSA-N 1 2 403.523 1.915 20 0 HDADLO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000052514581 1075748592 /nfs/dbraw/zinc/74/85/92/1075748592.db2.gz QHCWKDIFONXGBQ-CQSZACIVSA-N 1 2 402.520 2.194 20 0 HDADLO C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000554252228 1075752583 /nfs/dbraw/zinc/75/25/83/1075752583.db2.gz HIEMFZUFMYQUPD-GOSISDBHSA-N 1 2 401.511 2.332 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCCC[C@H]1C1OCCO1 ZINC000732476306 1075757014 /nfs/dbraw/zinc/75/70/14/1075757014.db2.gz DEGDXEVTMYIVOQ-PMACEKPBSA-N 1 2 403.523 1.867 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000513829631 1075763218 /nfs/dbraw/zinc/76/32/18/1075763218.db2.gz GVXPRYWSXQLCDD-UHFFFAOYSA-N 1 2 404.478 1.817 20 0 HDADLO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000142142923 1075774892 /nfs/dbraw/zinc/77/48/92/1075774892.db2.gz BYLJBBAYMRNBNM-IBGZPJMESA-N 1 2 418.538 1.580 20 0 HDADLO CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2C1 ZINC000487339430 1075795047 /nfs/dbraw/zinc/79/50/47/1075795047.db2.gz NKSKZOXOAANEAO-QGZVFWFLSA-N 1 2 411.506 1.666 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732656113 1075817997 /nfs/dbraw/zinc/81/79/97/1075817997.db2.gz BZNZFAIUZBCWEJ-SFHVURJKSA-N 1 2 416.432 1.186 20 0 HDADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](CCC(=O)OCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000611037100 1075818007 /nfs/dbraw/zinc/81/80/07/1075818007.db2.gz BPFRMQGOVCKABS-RCCFBDPRSA-N 1 2 416.584 1.856 20 0 HDADLO CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](CCC(=O)OCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000611037100 1075818013 /nfs/dbraw/zinc/81/80/13/1075818013.db2.gz BPFRMQGOVCKABS-RCCFBDPRSA-N 1 2 416.584 1.856 20 0 HDADLO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000611038361 1075818652 /nfs/dbraw/zinc/81/86/52/1075818652.db2.gz QKTRWKVFOIPEJL-IXDOHACOSA-N 1 2 402.557 1.466 20 0 HDADLO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000611038361 1075818655 /nfs/dbraw/zinc/81/86/55/1075818655.db2.gz QKTRWKVFOIPEJL-IXDOHACOSA-N 1 2 402.557 1.466 20 0 HDADLO CCOC(=O)C(CC)(CC)NCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000429286114 1075823124 /nfs/dbraw/zinc/82/31/24/1075823124.db2.gz PSHZRWHQRRDUOW-UHFFFAOYSA-N 1 2 417.550 1.977 20 0 HDADLO NC(=O)C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(Cl)c1 ZINC000431196282 1075835695 /nfs/dbraw/zinc/83/56/95/1075835695.db2.gz KIXLHRKAJKICJZ-MRXNPFEDSA-N 1 2 420.901 1.607 20 0 HDADLO CSC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000429292262 1075837823 /nfs/dbraw/zinc/83/78/23/1075837823.db2.gz IEDVJXKMSVHPPG-HNNXBMFYSA-N 1 2 420.622 1.786 20 0 HDADLO CSC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000429292262 1075837828 /nfs/dbraw/zinc/83/78/28/1075837828.db2.gz IEDVJXKMSVHPPG-HNNXBMFYSA-N 1 2 420.622 1.786 20 0 HDADLO Cc1c(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n(C)nc1C(F)(F)F ZINC000480205885 1075845349 /nfs/dbraw/zinc/84/53/49/1075845349.db2.gz LDYYOKPAUUOUMO-UHFFFAOYSA-N 1 2 401.393 1.920 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 ZINC000732764344 1075847641 /nfs/dbraw/zinc/84/76/41/1075847641.db2.gz DFLMLJSFKUWCFT-ROUUACIJSA-N 1 2 413.584 1.040 20 0 HDADLO CC(C)NC(=O)Cc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000470616296 1075849507 /nfs/dbraw/zinc/84/95/07/1075849507.db2.gz BUTBJEBZXKHZIV-UHFFFAOYSA-N 1 2 414.510 1.926 20 0 HDADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c(OC)c1 ZINC000732807703 1075862076 /nfs/dbraw/zinc/86/20/76/1075862076.db2.gz UFKMSIAOYKYFEP-INIZCTEOSA-N 1 2 419.522 1.806 20 0 HDADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c(OC)c1 ZINC000732807703 1075862083 /nfs/dbraw/zinc/86/20/83/1075862083.db2.gz UFKMSIAOYKYFEP-INIZCTEOSA-N 1 2 419.522 1.806 20 0 HDADLO O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000520673655 1075862498 /nfs/dbraw/zinc/86/24/98/1075862498.db2.gz LBVQTQPDMNHNDC-UHFFFAOYSA-N 1 2 419.445 1.943 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)ccc1C ZINC000732807488 1075863470 /nfs/dbraw/zinc/86/34/70/1075863470.db2.gz PEBFPGTZRGGOHY-KRWDZBQOSA-N 1 2 422.551 1.319 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)ccc1C ZINC000732807488 1075863474 /nfs/dbraw/zinc/86/34/74/1075863474.db2.gz PEBFPGTZRGGOHY-KRWDZBQOSA-N 1 2 422.551 1.319 20 0 HDADLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1cc(OC(F)F)n(C)n1)CC2 ZINC000466657775 1075866191 /nfs/dbraw/zinc/86/61/91/1075866191.db2.gz FFTAMLBKHCQZMS-UHFFFAOYSA-N 1 2 410.421 1.827 20 0 HDADLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)c1cc(OC(F)F)n(C)n1)CC2 ZINC000466657775 1075866194 /nfs/dbraw/zinc/86/61/94/1075866194.db2.gz FFTAMLBKHCQZMS-UHFFFAOYSA-N 1 2 410.421 1.827 20 0 HDADLO Cc1cc(C)n(-c2ccc(CNC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)cn2)n1 ZINC000522830269 1075867502 /nfs/dbraw/zinc/86/75/02/1075867502.db2.gz WKTLVUFHMOYGHS-UHFFFAOYSA-N 1 2 424.509 1.735 20 0 HDADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810024 1075871733 /nfs/dbraw/zinc/87/17/33/1075871733.db2.gz IWENSUBGIVJTTP-ZWNOBZJWSA-N 1 2 404.364 1.957 20 0 HDADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810024 1075871735 /nfs/dbraw/zinc/87/17/35/1075871735.db2.gz IWENSUBGIVJTTP-ZWNOBZJWSA-N 1 2 404.364 1.957 20 0 HDADLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812153 1075873741 /nfs/dbraw/zinc/87/37/41/1075873741.db2.gz BSLFURWURVQGNO-HUUCEWRRSA-N 1 2 418.412 1.733 20 0 HDADLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812153 1075873744 /nfs/dbraw/zinc/87/37/44/1075873744.db2.gz BSLFURWURVQGNO-HUUCEWRRSA-N 1 2 418.412 1.733 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732811892 1075873755 /nfs/dbraw/zinc/87/37/55/1075873755.db2.gz HXMNYPGYKKHCAE-GOEBONIOSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732811892 1075873757 /nfs/dbraw/zinc/87/37/57/1075873757.db2.gz HXMNYPGYKKHCAE-GOEBONIOSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814656 1075875217 /nfs/dbraw/zinc/87/52/17/1075875217.db2.gz UNKOFZKGZVCZSF-WBVHZDCISA-N 1 2 412.456 1.819 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814656 1075875220 /nfs/dbraw/zinc/87/52/20/1075875220.db2.gz UNKOFZKGZVCZSF-WBVHZDCISA-N 1 2 412.456 1.819 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814649 1075875299 /nfs/dbraw/zinc/87/52/99/1075875299.db2.gz UNKOFZKGZVCZSF-DOTOQJQBSA-N 1 2 412.456 1.819 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814649 1075875301 /nfs/dbraw/zinc/87/53/01/1075875301.db2.gz UNKOFZKGZVCZSF-DOTOQJQBSA-N 1 2 412.456 1.819 20 0 HDADLO CSc1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)o1 ZINC000732861910 1075887556 /nfs/dbraw/zinc/88/75/56/1075887556.db2.gz MMYHZHRWOQXKSI-UHFFFAOYSA-N 1 2 416.463 1.184 20 0 HDADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000611323254 1075900777 /nfs/dbraw/zinc/90/07/77/1075900777.db2.gz LJAIGIADFRQJAK-CYBMUJFWSA-N 1 2 404.446 1.651 20 0 HDADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000611323254 1075900780 /nfs/dbraw/zinc/90/07/80/1075900780.db2.gz LJAIGIADFRQJAK-CYBMUJFWSA-N 1 2 404.446 1.651 20 0 HDADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000502513133 1075912525 /nfs/dbraw/zinc/91/25/25/1075912525.db2.gz CKEJRLMMJPFCBG-SJORKVTESA-N 1 2 407.515 1.082 20 0 HDADLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000502513133 1075912530 /nfs/dbraw/zinc/91/25/30/1075912530.db2.gz CKEJRLMMJPFCBG-SJORKVTESA-N 1 2 407.515 1.082 20 0 HDADLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000502513131 1075912626 /nfs/dbraw/zinc/91/26/26/1075912626.db2.gz CKEJRLMMJPFCBG-IRXDYDNUSA-N 1 2 407.515 1.082 20 0 HDADLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000502513131 1075912630 /nfs/dbraw/zinc/91/26/30/1075912630.db2.gz CKEJRLMMJPFCBG-IRXDYDNUSA-N 1 2 407.515 1.082 20 0 HDADLO COC(=O)CC(C)(C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000611422276 1075931829 /nfs/dbraw/zinc/93/18/29/1075931829.db2.gz DRCOGPOAZLYZFA-INIZCTEOSA-N 1 2 419.526 1.378 20 0 HDADLO COC(=O)CC(C)(C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000611422276 1075931836 /nfs/dbraw/zinc/93/18/36/1075931836.db2.gz DRCOGPOAZLYZFA-INIZCTEOSA-N 1 2 419.526 1.378 20 0 HDADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611540575 1075956533 /nfs/dbraw/zinc/95/65/33/1075956533.db2.gz DURLYTVKKTVEOJ-GJZGRUSLSA-N 1 2 402.900 1.346 20 0 HDADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001080163592 1075983887 /nfs/dbraw/zinc/98/38/87/1075983887.db2.gz QFXLLSJHAUJAAO-QUIZCCTMSA-N 1 2 413.518 1.802 20 0 HDADLO COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001080163592 1075983892 /nfs/dbraw/zinc/98/38/92/1075983892.db2.gz QFXLLSJHAUJAAO-QUIZCCTMSA-N 1 2 413.518 1.802 20 0 HDADLO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)cc1 ZINC000492634022 1075988087 /nfs/dbraw/zinc/98/80/87/1075988087.db2.gz XNAVRFLVXDEODF-UHFFFAOYSA-N 1 2 421.544 1.898 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1 ZINC000733156681 1075989561 /nfs/dbraw/zinc/98/95/61/1075989561.db2.gz IFGKGSZNBMSLMO-IBGZPJMESA-N 1 2 404.486 1.721 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1 ZINC000733156681 1075989562 /nfs/dbraw/zinc/98/95/62/1075989562.db2.gz IFGKGSZNBMSLMO-IBGZPJMESA-N 1 2 404.486 1.721 20 0 HDADLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000733195202 1076002383 /nfs/dbraw/zinc/00/23/83/1076002383.db2.gz GYMJBMIFHIFIMD-IAGOWNOFSA-N 1 2 412.575 1.543 20 0 HDADLO CO[C@@H]1C[N@H+](Cc2cccc3nsnc32)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001081958494 1076018862 /nfs/dbraw/zinc/01/88/62/1076018862.db2.gz QHKVGGKDSZFPOM-NZLBXHEYSA-N 1 2 402.520 1.822 20 0 HDADLO CO[C@@H]1C[N@@H+](Cc2cccc3nsnc32)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001081958494 1076018864 /nfs/dbraw/zinc/01/88/64/1076018864.db2.gz QHKVGGKDSZFPOM-NZLBXHEYSA-N 1 2 402.520 1.822 20 0 HDADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)C1 ZINC000052816107 1076029239 /nfs/dbraw/zinc/02/92/39/1076029239.db2.gz KMFUKYKAMWSKTB-GGPKGHCWSA-N 1 2 407.530 1.688 20 0 HDADLO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000727146344 1076053226 /nfs/dbraw/zinc/05/32/26/1076053226.db2.gz LUYMHUSQGDSELO-KDOFPFPSSA-N 1 2 417.597 1.621 20 0 HDADLO O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCCn1cc[nH+]c1 ZINC000053253720 1076055275 /nfs/dbraw/zinc/05/52/75/1076055275.db2.gz NSXFHZKVMJPAAF-UHFFFAOYSA-N 1 2 405.252 1.838 20 0 HDADLO O=C(CN1CCOCC1)N1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000054993573 1076065446 /nfs/dbraw/zinc/06/54/46/1076065446.db2.gz XAFTWYOZQVTHNV-UHFFFAOYSA-N 1 2 412.328 1.304 20 0 HDADLO O=C(OCc1cn(CCc2ccccn2)nn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001273266357 1076081878 /nfs/dbraw/zinc/08/18/78/1076081878.db2.gz PTBZKUQGGCTHBC-NRFANRHFSA-N 1 2 407.474 1.860 20 0 HDADLO O=C(OCc1cn(CCc2ccccn2)nn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001273266357 1076081884 /nfs/dbraw/zinc/08/18/84/1076081884.db2.gz PTBZKUQGGCTHBC-NRFANRHFSA-N 1 2 407.474 1.860 20 0 HDADLO CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)o1 ZINC000733586429 1076114526 /nfs/dbraw/zinc/11/45/26/1076114526.db2.gz NXWFZLYLVYCWKM-UHFFFAOYSA-N 1 2 412.489 1.246 20 0 HDADLO CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000733586664 1076116955 /nfs/dbraw/zinc/11/69/55/1076116955.db2.gz UFLPJBXDOWLACZ-UHFFFAOYSA-N 1 2 422.459 1.311 20 0 HDADLO Cc1occc1C(=O)NC1CC[NH+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000727436783 1076119547 /nfs/dbraw/zinc/11/95/47/1076119547.db2.gz KTYBTGNZHFMBAG-LJQANCHMSA-N 1 2 406.504 1.919 20 0 HDADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000733613645 1076129741 /nfs/dbraw/zinc/12/97/41/1076129741.db2.gz FPUFOQTZSAVGSR-SFHVURJKSA-N 1 2 417.506 1.995 20 0 HDADLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000733613645 1076129746 /nfs/dbraw/zinc/12/97/46/1076129746.db2.gz FPUFOQTZSAVGSR-SFHVURJKSA-N 1 2 417.506 1.995 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCS(=O)(=O)C(C)(C)C)CC1 ZINC000733618544 1076130896 /nfs/dbraw/zinc/13/08/96/1076130896.db2.gz FBAUPVCCGNRIRM-UHFFFAOYSA-N 1 2 410.540 1.409 20 0 HDADLO O=C(CNC(=O)c1ccc(O)cc1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000727538059 1076158466 /nfs/dbraw/zinc/15/84/66/1076158466.db2.gz APNDMFGPJQHCLK-UHFFFAOYSA-N 1 2 417.487 1.071 20 0 HDADLO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000727738161 1076215026 /nfs/dbraw/zinc/21/50/26/1076215026.db2.gz HLHJFMLGFPYGBR-SNVBAGLBSA-N 1 2 413.297 1.839 20 0 HDADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727757079 1076230737 /nfs/dbraw/zinc/23/07/37/1076230737.db2.gz PPRXQDHJFOLEAF-QGZVFWFLSA-N 1 2 401.423 1.358 20 0 HDADLO COc1ccc2c(C)c(CCC(=O)NC[C@H](C)[NH+]3CCN(C)CC3)c(=O)oc2c1 ZINC000733882493 1076238497 /nfs/dbraw/zinc/23/84/97/1076238497.db2.gz PMSUBLOFEWFAGX-HNNXBMFYSA-N 1 2 401.507 1.795 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000533818732 1076244807 /nfs/dbraw/zinc/24/48/07/1076244807.db2.gz HDZFKFXVNAAOIT-LJQANCHMSA-N 1 2 421.544 1.592 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000533818732 1076244812 /nfs/dbraw/zinc/24/48/12/1076244812.db2.gz HDZFKFXVNAAOIT-LJQANCHMSA-N 1 2 421.544 1.592 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000533867728 1076246005 /nfs/dbraw/zinc/24/60/05/1076246005.db2.gz GCUGDVOGVOOKBM-FQEVSTJZSA-N 1 2 422.485 1.400 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000533867728 1076246010 /nfs/dbraw/zinc/24/60/10/1076246010.db2.gz GCUGDVOGVOOKBM-FQEVSTJZSA-N 1 2 422.485 1.400 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001299318935 1076247730 /nfs/dbraw/zinc/24/77/30/1076247730.db2.gz MLDFKBDQXAJXFE-ROUUACIJSA-N 1 2 413.559 1.876 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535277410 1076251496 /nfs/dbraw/zinc/25/14/96/1076251496.db2.gz PUNBVGSSGRREJW-SFHVURJKSA-N 1 2 416.503 1.178 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535277410 1076251500 /nfs/dbraw/zinc/25/15/00/1076251500.db2.gz PUNBVGSSGRREJW-SFHVURJKSA-N 1 2 416.503 1.178 20 0 HDADLO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535277440 1076251936 /nfs/dbraw/zinc/25/19/36/1076251936.db2.gz NMAQEFVVQZYYMW-KRWDZBQOSA-N 1 2 400.866 1.941 20 0 HDADLO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535277440 1076251942 /nfs/dbraw/zinc/25/19/42/1076251942.db2.gz NMAQEFVVQZYYMW-KRWDZBQOSA-N 1 2 400.866 1.941 20 0 HDADLO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)c2)C1=O ZINC000535312297 1076252311 /nfs/dbraw/zinc/25/23/11/1076252311.db2.gz CGMJBVJLOOIZCU-GOSISDBHSA-N 1 2 421.457 1.326 20 0 HDADLO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)c2)C1=O ZINC000535312297 1076252314 /nfs/dbraw/zinc/25/23/14/1076252314.db2.gz CGMJBVJLOOIZCU-GOSISDBHSA-N 1 2 421.457 1.326 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000536021652 1076253960 /nfs/dbraw/zinc/25/39/60/1076253960.db2.gz DRWWKBCMBYGAAO-GOSISDBHSA-N 1 2 409.533 1.402 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000536021652 1076253963 /nfs/dbraw/zinc/25/39/63/1076253963.db2.gz DRWWKBCMBYGAAO-GOSISDBHSA-N 1 2 409.533 1.402 20 0 HDADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000536037663 1076254737 /nfs/dbraw/zinc/25/47/37/1076254737.db2.gz VGHVQDOQJKOQGC-SFHVURJKSA-N 1 2 405.462 1.601 20 0 HDADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000536037663 1076254742 /nfs/dbraw/zinc/25/47/42/1076254742.db2.gz VGHVQDOQJKOQGC-SFHVURJKSA-N 1 2 405.462 1.601 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000536071582 1076255606 /nfs/dbraw/zinc/25/56/06/1076255606.db2.gz VTITTWFHAUSDFR-LJQANCHMSA-N 1 2 417.469 1.584 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000536071582 1076255609 /nfs/dbraw/zinc/25/56/09/1076255609.db2.gz VTITTWFHAUSDFR-LJQANCHMSA-N 1 2 417.469 1.584 20 0 HDADLO O=C(CCn1cc[nH]c(=O)c1=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000727854231 1076272767 /nfs/dbraw/zinc/27/27/67/1076272767.db2.gz USYBADDQALONGI-UHFFFAOYSA-N 1 2 423.473 1.363 20 0 HDADLO CN(CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000727863229 1076275412 /nfs/dbraw/zinc/27/54/12/1076275412.db2.gz YQVLALGOEAJNBU-UHFFFAOYSA-N 1 2 407.511 1.881 20 0 HDADLO CC(C)C(=O)N1CCC[N@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000727931518 1076288293 /nfs/dbraw/zinc/28/82/93/1076288293.db2.gz NKAKQGLEPQXNRH-UHFFFAOYSA-N 1 2 400.523 1.620 20 0 HDADLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000727931518 1076288301 /nfs/dbraw/zinc/28/83/01/1076288301.db2.gz NKAKQGLEPQXNRH-UHFFFAOYSA-N 1 2 400.523 1.620 20 0 HDADLO CN(C)c1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@H]3C2)ccn1 ZINC001083147526 1076303839 /nfs/dbraw/zinc/30/38/39/1076303839.db2.gz OUSLJVNZMSJULF-VDRZXAFZSA-N 1 2 400.523 1.374 20 0 HDADLO CN(C)c1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@H]3C2)ccn1 ZINC001083147526 1076303843 /nfs/dbraw/zinc/30/38/43/1076303843.db2.gz OUSLJVNZMSJULF-VDRZXAFZSA-N 1 2 400.523 1.374 20 0 HDADLO CC(C)(C)n1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@H]3C2)cn1 ZINC001083147431 1076303869 /nfs/dbraw/zinc/30/38/69/1076303869.db2.gz KGSCEGFNNLKTDP-WKWVNEEDSA-N 1 2 402.539 1.865 20 0 HDADLO CC(C)(C)n1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@H]3C2)cn1 ZINC001083147431 1076303873 /nfs/dbraw/zinc/30/38/73/1076303873.db2.gz KGSCEGFNNLKTDP-WKWVNEEDSA-N 1 2 402.539 1.865 20 0 HDADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000734098830 1076304286 /nfs/dbraw/zinc/30/42/86/1076304286.db2.gz KDZFYMUJRHVCEX-HNNXBMFYSA-N 1 2 419.576 1.482 20 0 HDADLO Cc1cc(N2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)nc(C(C)C)[nH+]1 ZINC000025994895 1076356135 /nfs/dbraw/zinc/35/61/35/1076356135.db2.gz NDJPMUVSCRJXKL-INIZCTEOSA-N 1 2 409.556 1.371 20 0 HDADLO Nc1c(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(=O)[nH]c(=O)n1C1CC1 ZINC000027357565 1076359336 /nfs/dbraw/zinc/35/93/36/1076359336.db2.gz QHLZDOLZEQDIDO-AWEZNQCLSA-N 1 2 412.446 1.245 20 0 HDADLO Nc1c(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(=O)[nH]c(=O)n1C1CC1 ZINC000027357565 1076359342 /nfs/dbraw/zinc/35/93/42/1076359342.db2.gz QHLZDOLZEQDIDO-AWEZNQCLSA-N 1 2 412.446 1.245 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@@](C)(c4ccc(Cl)s4)C3=O)CC2)cn1 ZINC000729989161 1076409356 /nfs/dbraw/zinc/40/93/56/1076409356.db2.gz RYNNAVDGQSIVOA-SFHVURJKSA-N 1 2 422.942 1.677 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000730105441 1076457970 /nfs/dbraw/zinc/45/79/70/1076457970.db2.gz ILNVDFSXHFIYCY-UHFFFAOYSA-N 1 2 422.533 1.807 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000730132755 1076459451 /nfs/dbraw/zinc/45/94/51/1076459451.db2.gz YZMWYOOWNGQJDN-ROUUACIJSA-N 1 2 411.591 1.911 20 0 HDADLO O=C(Nc1cnn(-c2ccccc2Cl)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000730223568 1076493150 /nfs/dbraw/zinc/49/31/50/1076493150.db2.gz BFXCCXVTRXPKQO-HNNXBMFYSA-N 1 2 417.897 1.645 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[NH+]3CCC(N4CCCC4=O)CC3)C2=O)cc1 ZINC000730252928 1076498557 /nfs/dbraw/zinc/49/85/57/1076498557.db2.gz CFPSIWOMPYSMBR-QFIPXVFZSA-N 1 2 414.506 1.593 20 0 HDADLO CCn1c(N)c(C(=O)C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(=O)[nH]c1=O ZINC000730265943 1076506363 /nfs/dbraw/zinc/50/63/63/1076506363.db2.gz FXOZQDFONHDSRL-LBPRGKRZSA-N 1 2 423.514 1.359 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000730266860 1076507572 /nfs/dbraw/zinc/50/75/72/1076507572.db2.gz YDQUGKOCQRSSHH-CQSZACIVSA-N 1 2 420.466 1.705 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000730266860 1076507575 /nfs/dbraw/zinc/50/75/75/1076507575.db2.gz YDQUGKOCQRSSHH-CQSZACIVSA-N 1 2 420.466 1.705 20 0 HDADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000730528292 1076589473 /nfs/dbraw/zinc/58/94/73/1076589473.db2.gz PMIFTNWDDGLVFS-IYBDPMFKSA-N 1 2 408.506 1.866 20 0 HDADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000730528292 1076589480 /nfs/dbraw/zinc/58/94/80/1076589480.db2.gz PMIFTNWDDGLVFS-IYBDPMFKSA-N 1 2 408.506 1.866 20 0 HDADLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571230 1076605343 /nfs/dbraw/zinc/60/53/43/1076605343.db2.gz OUSSWTAGENUHPM-IAGOWNOFSA-N 1 2 423.583 1.509 20 0 HDADLO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571230 1076605350 /nfs/dbraw/zinc/60/53/50/1076605350.db2.gz OUSSWTAGENUHPM-IAGOWNOFSA-N 1 2 423.583 1.509 20 0 HDADLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)C1 ZINC000731215024 1076748829 /nfs/dbraw/zinc/74/88/29/1076748829.db2.gz ZZHQSAXDWQLLHP-MJGOQNOKSA-N 1 2 402.539 1.363 20 0 HDADLO CCOC(=O)c1cnn(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1C(F)F ZINC000731204440 1076754327 /nfs/dbraw/zinc/75/43/27/1076754327.db2.gz JLJFMKBRVXKQJP-ZDUSSCGKSA-N 1 2 400.426 1.526 20 0 HDADLO CCOC(=O)c1cnn(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1C(F)F ZINC000731204440 1076754332 /nfs/dbraw/zinc/75/43/32/1076754332.db2.gz JLJFMKBRVXKQJP-ZDUSSCGKSA-N 1 2 400.426 1.526 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@@H](F)Oc3ccnc(Cl)c3)CC2)C1=O ZINC001164636526 719271910 /nfs/dbraw/zinc/27/19/10/719271910.db2.gz UZEQCBCFIODVST-QGZVFWFLSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@@H](F)Oc3ccnc(Cl)c3)CC2)C1=O ZINC001164636526 719271914 /nfs/dbraw/zinc/27/19/14/719271914.db2.gz UZEQCBCFIODVST-QGZVFWFLSA-N 1 2 400.882 1.622 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(OC)c(NC(C)C)n1 ZINC001164698640 719837222 /nfs/dbraw/zinc/83/72/22/719837222.db2.gz GLDOASKSZIGEBI-FOIQADDNSA-N 1 2 407.515 1.538 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(N2CCCC2)n1 ZINC001164707085 719837345 /nfs/dbraw/zinc/83/73/45/719837345.db2.gz ZGBXZHTVTYYPMX-UTKZUKDTSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(NCC2CC2)n1 ZINC001164703303 719837468 /nfs/dbraw/zinc/83/74/68/719837468.db2.gz QAKGFFHARQIAGR-LAUBAEHRSA-N 1 2 403.527 1.840 20 0 HDADLO COC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164698687 719839921 /nfs/dbraw/zinc/83/99/21/719839921.db2.gz HAWRKNNCPUDPTF-KPZWWZAWSA-N 1 2 412.874 1.149 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2[nH]c(C)nc21 ZINC001164706753 719848487 /nfs/dbraw/zinc/84/84/87/719848487.db2.gz YJSHULWCSVCAOK-SGTLLEGYSA-N 1 2 408.890 1.547 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC(C)(C)C)cn1 ZINC001164706406 719854915 /nfs/dbraw/zinc/85/49/15/719854915.db2.gz XEMOHHCBNAVAOS-JTSKRJEESA-N 1 2 418.538 1.843 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ncsc21 ZINC001164706535 719855341 /nfs/dbraw/zinc/85/53/41/719855341.db2.gz YAGXRURGLRZHOV-PIGZYNQJSA-N 1 2 411.915 1.972 20 0 HDADLO CCOC(=O)c1c(C)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706752 719856046 /nfs/dbraw/zinc/85/60/46/719856046.db2.gz YRXRJSUGYGSESD-MGPUTAFESA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2c1CNC2=O ZINC001164706918 719860200 /nfs/dbraw/zinc/86/02/00/719860200.db2.gz ZOKWITKIATWNAV-HXPMCKFVSA-N 1 2 408.886 1.211 20 0 HDADLO CCOC(=O)/C=C\c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164700977 719861111 /nfs/dbraw/zinc/86/11/11/719861111.db2.gz IZHTVRNUAQAPJC-FRZHUQMPSA-N 1 2 417.506 1.891 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(CO)c1C(OC)OC ZINC001164706493 719863557 /nfs/dbraw/zinc/86/35/57/719863557.db2.gz XWQSTPSPGNXQNC-IIBYNOLFSA-N 1 2 423.510 1.098 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2nc(C)no2)cn1 ZINC001164701235 719870201 /nfs/dbraw/zinc/87/02/01/719870201.db2.gz GHCLUVWKJMNSBB-JXFKEZNVSA-N 1 2 401.467 1.673 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(-c2cccc(F)c2)n1 ZINC001164701251 719871378 /nfs/dbraw/zinc/87/13/78/719871378.db2.gz GNBIKGJSQKAZGH-DYESRHJHSA-N 1 2 415.469 1.910 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCC[C@@H](C)C2)ncn1 ZINC001164702935 719873922 /nfs/dbraw/zinc/87/39/22/719873922.db2.gz JIGKUTDLODBZEM-FGSXEWAUSA-N 1 2 417.554 1.946 20 0 HDADLO COc1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708372 719905202 /nfs/dbraw/zinc/90/52/02/719905202.db2.gz BFOUKIBIGATKPL-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccnc(-c3cccnc3)n1)CC2 ZINC001164708397 719912863 /nfs/dbraw/zinc/91/28/63/719912863.db2.gz CILNKDKRVAGZRI-UHFFFAOYSA-N 1 2 418.505 1.222 20 0 HDADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164708116 719921165 /nfs/dbraw/zinc/92/11/65/719921165.db2.gz CWAAMQMDKNEGLY-UHFFFAOYSA-N 1 2 424.553 1.151 20 0 HDADLO CCCSc1cncc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708802 719926874 /nfs/dbraw/zinc/92/68/74/719926874.db2.gz RKIWHFXATREYMK-UHFFFAOYSA-N 1 2 415.567 1.663 20 0 HDADLO Cc1cc2c(ncnc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)s1 ZINC001164702310 719932311 /nfs/dbraw/zinc/93/23/11/719932311.db2.gz FDWSCISERDIXLS-UHFFFAOYSA-N 1 2 411.535 1.684 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164718840 720213782 /nfs/dbraw/zinc/21/37/82/720213782.db2.gz NEICOLLFJTXBJI-KRWDZBQOSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164718840 720213785 /nfs/dbraw/zinc/21/37/85/720213785.db2.gz NEICOLLFJTXBJI-KRWDZBQOSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Cl)c3C(=O)OC)C2)C1 ZINC001164718860 720217452 /nfs/dbraw/zinc/21/74/52/720217452.db2.gz NLRSHFNBHMWNLN-IBGZPJMESA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Cl)c3C(=O)OC)C2)C1 ZINC001164718860 720217463 /nfs/dbraw/zinc/21/74/63/720217463.db2.gz NLRSHFNBHMWNLN-IBGZPJMESA-N 1 2 410.902 1.186 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164718929 720223868 /nfs/dbraw/zinc/22/38/68/720223868.db2.gz PCOOVMLESNJNAK-HXUWFJFHSA-N 1 2 408.474 1.062 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164718929 720223872 /nfs/dbraw/zinc/22/38/72/720223872.db2.gz PCOOVMLESNJNAK-HXUWFJFHSA-N 1 2 408.474 1.062 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nn3)C2)C1 ZINC001164719708 720225891 /nfs/dbraw/zinc/22/58/91/720225891.db2.gz SRFQQLWUZWMHTO-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nn3)C2)C1 ZINC001164719708 720225899 /nfs/dbraw/zinc/22/58/99/720225899.db2.gz SRFQQLWUZWMHTO-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cccc(Cl)n3)C2)C1 ZINC001164718671 720233343 /nfs/dbraw/zinc/23/33/43/720233343.db2.gz GMLLPWUNTMIICW-QGZVFWFLSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cccc(Cl)n3)C2)C1 ZINC001164718671 720233352 /nfs/dbraw/zinc/23/33/52/720233352.db2.gz GMLLPWUNTMIICW-QGZVFWFLSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3SCC4)C2)C1 ZINC001164720585 720238149 /nfs/dbraw/zinc/23/81/49/720238149.db2.gz YMOUQJAMGBKFAC-SFHVURJKSA-N 1 2 411.959 1.443 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3SCC4)C2)C1 ZINC001164720585 720238162 /nfs/dbraw/zinc/23/81/62/720238162.db2.gz YMOUQJAMGBKFAC-SFHVURJKSA-N 1 2 411.959 1.443 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)c(C(=O)OC)cc3Cl)C2)C1 ZINC001164724999 720304297 /nfs/dbraw/zinc/30/42/97/720304297.db2.gz URLLRXZKHCMQTF-HXUWFJFHSA-N 1 2 424.929 1.495 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)c(C(=O)OC)cc3Cl)C2)C1 ZINC001164724999 720304299 /nfs/dbraw/zinc/30/42/99/720304299.db2.gz URLLRXZKHCMQTF-HXUWFJFHSA-N 1 2 424.929 1.495 20 0 HDADLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc(C)n1 ZINC001164826643 720368187 /nfs/dbraw/zinc/36/81/87/720368187.db2.gz YADDGZJCIDIPCK-UHFFFAOYSA-N 1 2 416.551 1.872 20 0 HDADLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc(C)n1 ZINC001164826643 720368197 /nfs/dbraw/zinc/36/81/97/720368197.db2.gz YADDGZJCIDIPCK-UHFFFAOYSA-N 1 2 416.551 1.872 20 0 HDADLO Cc1nc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826193 720427303 /nfs/dbraw/zinc/42/73/03/720427303.db2.gz ORVVXYNIGYKXFM-OAHLLOKOSA-N 1 2 406.918 1.625 20 0 HDADLO COc1ccc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825705 720453472 /nfs/dbraw/zinc/45/34/72/720453472.db2.gz UKITWQVAHJWRPT-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccco3)nn1)C2 ZINC001164831763 720474756 /nfs/dbraw/zinc/47/47/56/720474756.db2.gz PXBGFAIBMCUTJP-KRWDZBQOSA-N 1 2 424.505 1.923 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2 ZINC001165011309 721700317 /nfs/dbraw/zinc/70/03/17/721700317.db2.gz QSYKCZDWIJTTBB-UHFFFAOYSA-N 1 2 418.527 1.203 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2 ZINC001165011309 721700318 /nfs/dbraw/zinc/70/03/18/721700318.db2.gz QSYKCZDWIJTTBB-UHFFFAOYSA-N 1 2 418.527 1.203 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)NC3CCCC3)nn1)C2 ZINC001165010947 721717159 /nfs/dbraw/zinc/71/71/59/721717159.db2.gz LHZUDUDJCPMPOE-UHFFFAOYSA-N 1 2 412.542 1.991 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)NC3CCCC3)nn1)C2 ZINC001165010947 721717167 /nfs/dbraw/zinc/71/71/67/721717167.db2.gz LHZUDUDJCPMPOE-UHFFFAOYSA-N 1 2 412.542 1.991 20 0 HDADLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164912366 721778639 /nfs/dbraw/zinc/77/86/39/721778639.db2.gz KZEUDMSYZAGULL-NRFANRHFSA-N 1 2 416.453 1.510 20 0 HDADLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164912366 721778642 /nfs/dbraw/zinc/77/86/42/721778642.db2.gz KZEUDMSYZAGULL-NRFANRHFSA-N 1 2 416.453 1.510 20 0 HDADLO NC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1Cl ZINC001164946931 721970037 /nfs/dbraw/zinc/97/00/37/721970037.db2.gz ZQLJJVOFZNDSCM-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO NC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1Cl ZINC001164946931 721970040 /nfs/dbraw/zinc/97/00/40/721970040.db2.gz ZQLJJVOFZNDSCM-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO NC(=O)c1ncc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943644 721972444 /nfs/dbraw/zinc/97/24/44/721972444.db2.gz ASBQOBBNGWASFO-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO NC(=O)c1ncc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943644 721972445 /nfs/dbraw/zinc/97/24/45/721972445.db2.gz ASBQOBBNGWASFO-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO CC1(C)C(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164947657 721977749 /nfs/dbraw/zinc/97/77/49/721977749.db2.gz PWYYHEMOETVQQM-UHFFFAOYSA-N 1 2 420.517 1.677 20 0 HDADLO CC1(C)C(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164947657 721977754 /nfs/dbraw/zinc/97/77/54/721977754.db2.gz PWYYHEMOETVQQM-UHFFFAOYSA-N 1 2 420.517 1.677 20 0 HDADLO Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000673638102 1073466686 /nfs/dbraw/zinc/46/66/86/1073466686.db2.gz ZDNREJCBLHXBJO-UHFFFAOYSA-N 1 2 416.503 1.282 20 0 HDADLO CCCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429050080 1073473084 /nfs/dbraw/zinc/47/30/84/1073473084.db2.gz CRAQOBAYSCJJFH-UXHICEINSA-N 1 2 423.579 1.886 20 0 HDADLO CCCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429050080 1073473088 /nfs/dbraw/zinc/47/30/88/1073473088.db2.gz CRAQOBAYSCJJFH-UXHICEINSA-N 1 2 423.579 1.886 20 0 HDADLO CN(CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000429059910 1073494549 /nfs/dbraw/zinc/49/45/49/1073494549.db2.gz KTJYNKCXTCLUMP-INIZCTEOSA-N 1 2 411.535 1.523 20 0 HDADLO CN(CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000429059910 1073494556 /nfs/dbraw/zinc/49/45/56/1073494556.db2.gz KTJYNKCXTCLUMP-INIZCTEOSA-N 1 2 411.535 1.523 20 0 HDADLO CCC[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000509103519 1073530031 /nfs/dbraw/zinc/53/00/31/1073530031.db2.gz PMAVHHPMNZWTBC-JOCHJYFZSA-N 1 2 414.506 1.376 20 0 HDADLO CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C2)c1c[nH+]c[nH]1 ZINC001004688394 1073530652 /nfs/dbraw/zinc/53/06/52/1073530652.db2.gz UHPDBMFDDBYNJY-ILOCAZANSA-N 1 2 400.523 1.998 20 0 HDADLO Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C2 ZINC001004688406 1073530669 /nfs/dbraw/zinc/53/06/69/1073530669.db2.gz UTIXLGHOFUIVRD-JUSBFGHESA-N 1 2 400.523 1.664 20 0 HDADLO Cc1cc(C(=O)CN2CC[NH+](CCO)CC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000096965890 1073536783 /nfs/dbraw/zinc/53/67/83/1073536783.db2.gz INYMQCFLLPFZBW-IBGZPJMESA-N 1 2 413.518 1.738 20 0 HDADLO Cc1cccn2cc(CC(=O)N3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H]3C[C@@H]5O[C@H]3[C@H]3C[C@H]35)C4)[nH+]c12 ZINC001004708176 1073557896 /nfs/dbraw/zinc/55/78/96/1073557896.db2.gz FMIZIZORHDQCKU-LAHIFFJMSA-N 1 2 420.513 1.857 20 0 HDADLO O=C(N[C@H](CCCO)c1ccccc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000509122947 1073601862 /nfs/dbraw/zinc/60/18/62/1073601862.db2.gz LHNNNZVPNHDEND-VQTJNVASSA-N 1 2 403.523 1.330 20 0 HDADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000028239898 1073611253 /nfs/dbraw/zinc/61/12/53/1073611253.db2.gz ULEBXGYRLGATLO-GOSISDBHSA-N 1 2 405.495 1.436 20 0 HDADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)CC2 ZINC000673681079 1073634956 /nfs/dbraw/zinc/63/49/56/1073634956.db2.gz ZMUFQCBIEKREEQ-SFHVURJKSA-N 1 2 400.504 1.543 20 0 HDADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)CC2 ZINC000673681079 1073634963 /nfs/dbraw/zinc/63/49/63/1073634963.db2.gz ZMUFQCBIEKREEQ-SFHVURJKSA-N 1 2 400.504 1.543 20 0 HDADLO COc1cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc(OC)c1OCC(N)=O ZINC000673724870 1073657083 /nfs/dbraw/zinc/65/70/83/1073657083.db2.gz QNZXMVDQYNGQRR-UHFFFAOYSA-N 1 2 412.446 1.497 20 0 HDADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c(=O)n(C)c1=O ZINC000429114667 1073670247 /nfs/dbraw/zinc/67/02/47/1073670247.db2.gz HNFPPFMKAJJXFX-ZDUSSCGKSA-N 1 2 408.911 1.369 20 0 HDADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c(=O)n(C)c1=O ZINC000429114667 1073670255 /nfs/dbraw/zinc/67/02/55/1073670255.db2.gz HNFPPFMKAJJXFX-ZDUSSCGKSA-N 1 2 408.911 1.369 20 0 HDADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c(=O)n(C)c1=O ZINC000429114666 1073670409 /nfs/dbraw/zinc/67/04/09/1073670409.db2.gz HNFPPFMKAJJXFX-CYBMUJFWSA-N 1 2 408.911 1.369 20 0 HDADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c(=O)n(C)c1=O ZINC000429114666 1073670419 /nfs/dbraw/zinc/67/04/19/1073670419.db2.gz HNFPPFMKAJJXFX-CYBMUJFWSA-N 1 2 408.911 1.369 20 0 HDADLO CNS(=O)(=O)c1cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)ccc1OC ZINC000673747258 1073681343 /nfs/dbraw/zinc/68/13/43/1073681343.db2.gz KKNLVKJXEJFZBL-UHFFFAOYSA-N 1 2 402.476 1.532 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)[nH+]c12 ZINC000673746954 1073682070 /nfs/dbraw/zinc/68/20/70/1073682070.db2.gz KQYVDQOBKMSMPX-UHFFFAOYSA-N 1 2 422.457 1.948 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673756827 1073692220 /nfs/dbraw/zinc/69/22/20/1073692220.db2.gz VYJLSUJPGWQPNO-UHFFFAOYSA-N 1 2 414.487 1.483 20 0 HDADLO CC[C@H](C)[C@@H](NC(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126854 1073705751 /nfs/dbraw/zinc/70/57/51/1073705751.db2.gz KWIVDBGAABYWRC-IFXJQAMLSA-N 1 2 424.567 1.660 20 0 HDADLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126854 1073705760 /nfs/dbraw/zinc/70/57/60/1073705760.db2.gz KWIVDBGAABYWRC-IFXJQAMLSA-N 1 2 424.567 1.660 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)[nH+]c12 ZINC000673773732 1073706500 /nfs/dbraw/zinc/70/65/00/1073706500.db2.gz VPDXOEHXBVISSJ-JOCHJYFZSA-N 1 2 420.473 1.739 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)nc12 ZINC000673770533 1073713771 /nfs/dbraw/zinc/71/37/71/1073713771.db2.gz CFQSZJKAIJSWPN-FQEVSTJZSA-N 1 2 403.552 1.692 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)[nH+]c12 ZINC000673770413 1073714159 /nfs/dbraw/zinc/71/41/59/1073714159.db2.gz RRLHVQWJOGFWKK-FQEVSTJZSA-N 1 2 420.517 1.739 20 0 HDADLO CCOCCOCc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673782344 1073718316 /nfs/dbraw/zinc/71/83/16/1073718316.db2.gz BLTRMOUSVCXCMR-HXUWFJFHSA-N 1 2 419.522 1.501 20 0 HDADLO CC(=O)N1CCC([N@H+](CCNS(=O)(=O)c2ccccc2)Cc2cncs2)CC1 ZINC000429131824 1073720418 /nfs/dbraw/zinc/72/04/18/1073720418.db2.gz YIRQZBNGEXHUOE-UHFFFAOYSA-N 1 2 422.576 1.935 20 0 HDADLO CC(=O)N1CCC([N@@H+](CCNS(=O)(=O)c2ccccc2)Cc2cncs2)CC1 ZINC000429131824 1073720423 /nfs/dbraw/zinc/72/04/23/1073720423.db2.gz YIRQZBNGEXHUOE-UHFFFAOYSA-N 1 2 422.576 1.935 20 0 HDADLO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673783500 1073721116 /nfs/dbraw/zinc/72/11/16/1073721116.db2.gz VGECGSNZPLMLHP-QGZVFWFLSA-N 1 2 402.495 1.006 20 0 HDADLO COc1cc(OC)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000673782747 1073722628 /nfs/dbraw/zinc/72/26/28/1073722628.db2.gz PLCXJUXMIUBVHZ-CYBMUJFWSA-N 1 2 411.886 1.619 20 0 HDADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783714 1073723268 /nfs/dbraw/zinc/72/32/68/1073723268.db2.gz GWPCOPHUPOUAHL-LJQANCHMSA-N 1 2 411.506 1.751 20 0 HDADLO CCN(Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)=O ZINC000673785314 1073728245 /nfs/dbraw/zinc/72/82/45/1073728245.db2.gz QHLQWFOWDZZOHW-LJQANCHMSA-N 1 2 416.522 1.317 20 0 HDADLO COc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673785083 1073728926 /nfs/dbraw/zinc/72/89/26/1073728926.db2.gz NPLRLARDLQJJTQ-AWEZNQCLSA-N 1 2 413.421 1.558 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3C)[nH+]c12 ZINC000673786145 1073731776 /nfs/dbraw/zinc/73/17/76/1073731776.db2.gz BWDFCEIWKUQQAD-UHFFFAOYSA-N 1 2 414.487 1.652 20 0 HDADLO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429132896 1073737346 /nfs/dbraw/zinc/73/73/46/1073737346.db2.gz XOORIOOUUCWQND-AWEZNQCLSA-N 1 2 423.470 1.180 20 0 HDADLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000766029064 1073739518 /nfs/dbraw/zinc/73/95/18/1073739518.db2.gz GYMNSUYMZUMZAT-KRWDZBQOSA-N 1 2 401.463 1.989 20 0 HDADLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000766029064 1073739526 /nfs/dbraw/zinc/73/95/26/1073739526.db2.gz GYMNSUYMZUMZAT-KRWDZBQOSA-N 1 2 401.463 1.989 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000673789446 1073744058 /nfs/dbraw/zinc/74/40/58/1073744058.db2.gz VKQWXFRGDSCNRP-UHFFFAOYSA-N 1 2 407.474 1.998 20 0 HDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509157711 1073784211 /nfs/dbraw/zinc/78/42/11/1073784211.db2.gz XKYCAVUMCPOKJU-KRWDZBQOSA-N 1 2 410.540 1.143 20 0 HDADLO COc1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872233 1073838786 /nfs/dbraw/zinc/83/87/86/1073838786.db2.gz LUQNLEFSTMFQRH-SFHVURJKSA-N 1 2 401.467 1.869 20 0 HDADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCc2csc(-c3ccco3)n2)CC1 ZINC000673883230 1073855213 /nfs/dbraw/zinc/85/52/13/1073855213.db2.gz ITBYVATWYQJEHP-UHFFFAOYSA-N 1 2 406.508 1.589 20 0 HDADLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000509168331 1073886401 /nfs/dbraw/zinc/88/64/01/1073886401.db2.gz PKAACOPFPINSMF-KRWDZBQOSA-N 1 2 416.547 1.979 20 0 HDADLO O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000030148182 1073918391 /nfs/dbraw/zinc/91/83/91/1073918391.db2.gz ONKFJVMFPSBCRP-UHFFFAOYSA-N 1 2 402.520 1.443 20 0 HDADLO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C(=O)N1CCC[C@@H](O)C1 ZINC000670431471 1073926808 /nfs/dbraw/zinc/92/68/08/1073926808.db2.gz ZKGKJWOZLRBAHF-MOPGFXCFSA-N 1 2 413.543 1.947 20 0 HDADLO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C(=O)N1CCC[C@@H](O)C1 ZINC000670431471 1073926809 /nfs/dbraw/zinc/92/68/09/1073926809.db2.gz ZKGKJWOZLRBAHF-MOPGFXCFSA-N 1 2 413.543 1.947 20 0 HDADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)n1 ZINC000509177199 1073937380 /nfs/dbraw/zinc/93/73/80/1073937380.db2.gz GIIGIYJAQFZIFQ-INIZCTEOSA-N 1 2 405.499 1.188 20 0 HDADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)n1 ZINC000509177199 1073937385 /nfs/dbraw/zinc/93/73/85/1073937385.db2.gz GIIGIYJAQFZIFQ-INIZCTEOSA-N 1 2 405.499 1.188 20 0 HDADLO OCC[N@H+](CCN1CCOCC1)Cc1nnc(-c2ccccc2Br)o1 ZINC000484405089 1073977830 /nfs/dbraw/zinc/97/78/30/1073977830.db2.gz KQAPPILIDLMXJC-UHFFFAOYSA-N 1 2 411.300 1.626 20 0 HDADLO OCC[N@@H+](CCN1CCOCC1)Cc1nnc(-c2ccccc2Br)o1 ZINC000484405089 1073977831 /nfs/dbraw/zinc/97/78/31/1073977831.db2.gz KQAPPILIDLMXJC-UHFFFAOYSA-N 1 2 411.300 1.626 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N[C@@H](CC(C)C)C(=O)N=c3cc[nH][nH]3)c2)cc[nH+]1 ZINC000543523549 1073997329 /nfs/dbraw/zinc/99/73/29/1073997329.db2.gz PUZXSKVUNUEFKU-SFHVURJKSA-N 1 2 421.505 1.747 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)c1C ZINC000543528893 1074009644 /nfs/dbraw/zinc/00/96/44/1074009644.db2.gz HBWVXRFOAFNCSQ-UHFFFAOYSA-N 1 2 411.462 1.834 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)s[nH]2)c1 ZINC000543533582 1074032618 /nfs/dbraw/zinc/03/26/18/1074032618.db2.gz HHBFFWMWGKBWFK-KBPBESRZSA-N 1 2 417.535 1.811 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)s[nH]2)c1 ZINC000543533582 1074032623 /nfs/dbraw/zinc/03/26/23/1074032623.db2.gz HHBFFWMWGKBWFK-KBPBESRZSA-N 1 2 417.535 1.811 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)s[nH]2)c1 ZINC000543533584 1074032763 /nfs/dbraw/zinc/03/27/63/1074032763.db2.gz HHBFFWMWGKBWFK-KGLIPLIRSA-N 1 2 417.535 1.811 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)s[nH]2)c1 ZINC000543533584 1074032774 /nfs/dbraw/zinc/03/27/74/1074032774.db2.gz HHBFFWMWGKBWFK-KGLIPLIRSA-N 1 2 417.535 1.811 20 0 HDADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NCCc2cccc(C(N)=O)c2)CCC(=O)N1C1CC1 ZINC000509194973 1074047323 /nfs/dbraw/zinc/04/73/23/1074047323.db2.gz IUVXBMASSLRFFT-YLJYHZDGSA-N 1 2 409.490 1.320 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766048148 1074047909 /nfs/dbraw/zinc/04/79/09/1074047909.db2.gz YRTJTQVTNUVFAR-MRXNPFEDSA-N 1 2 405.561 1.418 20 0 HDADLO CC(C)(C)N1C[C@H](NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000429199970 1074073470 /nfs/dbraw/zinc/07/34/70/1074073470.db2.gz VGLMNIDNJWXSOY-GOSISDBHSA-N 1 2 415.538 1.788 20 0 HDADLO Cn1nc(-c2ccccc2)cc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001626093843 1074080088 /nfs/dbraw/zinc/08/00/88/1074080088.db2.gz OVUNYFVUPBHQDW-UHFFFAOYSA-N 1 2 418.501 1.951 20 0 HDADLO CCC[NH+]1CCC(NC(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CC1 ZINC000543555367 1074082103 /nfs/dbraw/zinc/08/21/03/1074082103.db2.gz PBCOLBHZAFHNMQ-UHFFFAOYSA-N 1 2 403.508 1.565 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCCCCn3cc[nH+]c3C)s[nH]2)c1 ZINC000543556347 1074086881 /nfs/dbraw/zinc/08/68/81/1074086881.db2.gz RVXMYFIYTLRSMA-UHFFFAOYSA-N 1 2 414.491 1.676 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000509205693 1074108495 /nfs/dbraw/zinc/10/84/95/1074108495.db2.gz NDSQSKIWODSDKK-UHFFFAOYSA-N 1 2 403.570 1.432 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000509205693 1074108496 /nfs/dbraw/zinc/10/84/96/1074108496.db2.gz NDSQSKIWODSDKK-UHFFFAOYSA-N 1 2 403.570 1.432 20 0 HDADLO COC(=O)c1cccc(OCC[NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000164505900 1074130570 /nfs/dbraw/zinc/13/05/70/1074130570.db2.gz MOXORDIWIYNCLT-SFHVURJKSA-N 1 2 403.523 1.871 20 0 HDADLO CCOC1CC(CNC(=O)c2cc(Cl)ccc2-n2cncn2)([NH+]2CCOCC2)C1 ZINC001128616099 1074184933 /nfs/dbraw/zinc/18/49/33/1074184933.db2.gz GBOCRBBYKUOIHW-UHFFFAOYSA-N 1 2 419.913 1.920 20 0 HDADLO Cc1nc(COc2ccc(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)no1 ZINC000674202038 1074217016 /nfs/dbraw/zinc/21/70/16/1074217016.db2.gz KNWBGNODDDNGKK-INIZCTEOSA-N 1 2 410.434 1.956 20 0 HDADLO CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202882 1074218045 /nfs/dbraw/zinc/21/80/45/1074218045.db2.gz XJVMTAAEOIHCLM-OAHLLOKOSA-N 1 2 404.492 1.867 20 0 HDADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000674202431 1074218482 /nfs/dbraw/zinc/21/84/82/1074218482.db2.gz HGEMVKSRSFLVSD-GFCCVEGCSA-N 1 2 405.442 1.805 20 0 HDADLO C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000674215439 1074228825 /nfs/dbraw/zinc/22/88/25/1074228825.db2.gz HQCQNPXWHLGDPM-PGRDOPGGSA-N 1 2 424.545 1.653 20 0 HDADLO CNC(=O)Cc1noc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)n1 ZINC000674232254 1074237212 /nfs/dbraw/zinc/23/72/12/1074237212.db2.gz XJGHZOHZQLDFOL-UHFFFAOYSA-N 1 2 407.858 1.568 20 0 HDADLO Cn1cc(N2CCN(C(=O)N[C@@H](Cc3[nH+]ccn3C)c3ccccc3)CC2=O)cn1 ZINC000674295849 1074258330 /nfs/dbraw/zinc/25/83/30/1074258330.db2.gz WHCPBSCXDOFGMM-SFHVURJKSA-N 1 2 407.478 1.496 20 0 HDADLO COC1CC[NH+](CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 ZINC000674325777 1074275379 /nfs/dbraw/zinc/27/53/79/1074275379.db2.gz FZMSGPVWMAAPQG-UHFFFAOYSA-N 1 2 411.524 1.017 20 0 HDADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)C1Cc2ccccc2C1 ZINC000674344442 1074288327 /nfs/dbraw/zinc/28/83/27/1074288327.db2.gz VUMZQNVKSWZPAK-QGZVFWFLSA-N 1 2 400.548 1.679 20 0 HDADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)[C@@H]3CCCN(c4ccccc4)C3=O)cc2C1 ZINC000509225142 1074290767 /nfs/dbraw/zinc/29/07/67/1074290767.db2.gz MKYHQGXRZIWZMA-FQEVSTJZSA-N 1 2 406.486 1.912 20 0 HDADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)[C@@H]3CCCN(c4ccccc4)C3=O)cc2C1 ZINC000509225142 1074290772 /nfs/dbraw/zinc/29/07/72/1074290772.db2.gz MKYHQGXRZIWZMA-FQEVSTJZSA-N 1 2 406.486 1.912 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000674437557 1074336390 /nfs/dbraw/zinc/33/63/90/1074336390.db2.gz AXMMIVPDSZMFGK-KUHUBIRLSA-N 1 2 405.524 1.296 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)Cc3ccccc3Br)CCN2C1=O ZINC000674468268 1074365328 /nfs/dbraw/zinc/36/53/28/1074365328.db2.gz NLKNDMDBPYMZRF-OAHLLOKOSA-N 1 2 423.311 1.376 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)Cc3ccccc3Br)CCN2C1=O ZINC000674468268 1074365337 /nfs/dbraw/zinc/36/53/37/1074365337.db2.gz NLKNDMDBPYMZRF-OAHLLOKOSA-N 1 2 423.311 1.376 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(Cc3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674469311 1074366473 /nfs/dbraw/zinc/36/64/73/1074366473.db2.gz YXCINJGWZLOHCN-SFHVURJKSA-N 1 2 400.479 1.155 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(Cc3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674469311 1074366476 /nfs/dbraw/zinc/36/64/76/1074366476.db2.gz YXCINJGWZLOHCN-SFHVURJKSA-N 1 2 400.479 1.155 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3cc(OC)ccc3OC)CCN2C1=O ZINC000674473433 1074370550 /nfs/dbraw/zinc/37/05/50/1074370550.db2.gz UDYYKOYJCVZVMD-VBQJREDUSA-N 1 2 418.494 1.238 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N[C@@H](C)c3cc(OC)ccc3OC)CCN2C1=O ZINC000674473433 1074370553 /nfs/dbraw/zinc/37/05/53/1074370553.db2.gz UDYYKOYJCVZVMD-VBQJREDUSA-N 1 2 418.494 1.238 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000674501356 1074394467 /nfs/dbraw/zinc/39/44/67/1074394467.db2.gz KFTQXMRUBIWLJQ-CQSZACIVSA-N 1 2 416.375 1.429 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000674501356 1074394475 /nfs/dbraw/zinc/39/44/75/1074394475.db2.gz KFTQXMRUBIWLJQ-CQSZACIVSA-N 1 2 416.375 1.429 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3ccccc3COC(C)C)CCN2C1=O ZINC000674501851 1074397484 /nfs/dbraw/zinc/39/74/84/1074397484.db2.gz SCOZNBVQKOMGKJ-GOSISDBHSA-N 1 2 402.495 1.196 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccccc3COC(C)C)CCN2C1=O ZINC000674501851 1074397491 /nfs/dbraw/zinc/39/74/91/1074397491.db2.gz SCOZNBVQKOMGKJ-GOSISDBHSA-N 1 2 402.495 1.196 20 0 HDADLO C[N@H+](CCN1CCCS1(=O)=O)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000674495674 1074406995 /nfs/dbraw/zinc/40/69/95/1074406995.db2.gz NEDTUUQXFNEFEC-INIZCTEOSA-N 1 2 417.478 1.751 20 0 HDADLO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000674495674 1074407001 /nfs/dbraw/zinc/40/70/01/1074407001.db2.gz NEDTUUQXFNEFEC-INIZCTEOSA-N 1 2 417.478 1.751 20 0 HDADLO C[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000674659291 1074505867 /nfs/dbraw/zinc/50/58/67/1074505867.db2.gz SBDAYZRRUVOINY-OAHLLOKOSA-N 1 2 406.508 1.361 20 0 HDADLO Cn1cc[nH+]c1CCC(=O)N1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001005486342 1074518752 /nfs/dbraw/zinc/51/87/52/1074518752.db2.gz MSSXHKRDDBLYCB-PDQKVPEZSA-N 1 2 400.523 1.664 20 0 HDADLO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000766067779 1074549541 /nfs/dbraw/zinc/54/95/41/1074549541.db2.gz XFYTXRAJMIOATP-MAUKXSAKSA-N 1 2 405.474 1.988 20 0 HDADLO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001128815747 1074560594 /nfs/dbraw/zinc/56/05/94/1074560594.db2.gz JHFAJCWAYDKYAH-OTWHNJEPSA-N 1 2 411.543 1.774 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN3CCO[C@H]([C@@H]4CCCO4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000674913520 1074618849 /nfs/dbraw/zinc/61/88/49/1074618849.db2.gz BQDVOCLGZZFHOA-OALUTQOASA-N 1 2 417.554 1.437 20 0 HDADLO O=C(C[NH+]1CCC(NC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1)Nc1ccccc1 ZINC000674919214 1074621342 /nfs/dbraw/zinc/62/13/42/1074621342.db2.gz YFGGISLRNJFXTO-UXHICEINSA-N 1 2 416.522 1.679 20 0 HDADLO O=C(CSCC(=O)Nc1ccc(F)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000500608567 1074665096 /nfs/dbraw/zinc/66/50/96/1074665096.db2.gz NCPYOGCBDMPWDL-UHFFFAOYSA-N 1 2 421.498 1.665 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000614175431 1074677982 /nfs/dbraw/zinc/67/79/82/1074677982.db2.gz NTBFESIISAPGPN-INIZCTEOSA-N 1 2 407.515 1.658 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)ccn2)CC1 ZINC000543614321 1074712669 /nfs/dbraw/zinc/71/26/69/1074712669.db2.gz FJWZVXPJVQHSDH-QGZVFWFLSA-N 1 2 424.509 1.050 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)CCN2C1=O ZINC000675104812 1074720339 /nfs/dbraw/zinc/72/03/39/1074720339.db2.gz LZOFPBUQSINRKG-ZFWWWQNUSA-N 1 2 420.539 1.875 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)CCN2C1=O ZINC000675104812 1074720348 /nfs/dbraw/zinc/72/03/48/1074720348.db2.gz LZOFPBUQSINRKG-ZFWWWQNUSA-N 1 2 420.539 1.875 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)ccn2)CC1 ZINC000543614497 1074723782 /nfs/dbraw/zinc/72/37/82/1074723782.db2.gz DTIWWSIIMQYFJW-AEFFLSMTSA-N 1 2 403.527 1.730 20 0 HDADLO C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(=O)N1CCCC[C@H]1C ZINC000543614522 1074724285 /nfs/dbraw/zinc/72/42/85/1074724285.db2.gz FRCKTODANCXXLK-HZPDHXFCSA-N 1 2 416.526 1.380 20 0 HDADLO COC(=O)CCc1nnc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000609932322 1074724815 /nfs/dbraw/zinc/72/48/15/1074724815.db2.gz WECULDGOQWEBIA-HNNXBMFYSA-N 1 2 419.507 1.666 20 0 HDADLO COC(=O)CCc1nnc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000609932322 1074724827 /nfs/dbraw/zinc/72/48/27/1074724827.db2.gz WECULDGOQWEBIA-HNNXBMFYSA-N 1 2 419.507 1.666 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000574349795 1074729764 /nfs/dbraw/zinc/72/97/64/1074729764.db2.gz VJLHZRCMZXFQPG-OAHLLOKOSA-N 1 2 424.427 1.906 20 0 HDADLO COc1ccccc1OCCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543613881 1074732418 /nfs/dbraw/zinc/73/24/18/1074732418.db2.gz BXIADARTDKKKDF-UHFFFAOYSA-N 1 2 413.478 1.678 20 0 HDADLO Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)nn1[C@@H](C)C1CC1 ZINC000542314707 1074751480 /nfs/dbraw/zinc/75/14/80/1074751480.db2.gz JBSHVXQWDRUIHW-FUHWJXTLSA-N 1 2 405.543 1.964 20 0 HDADLO C[C@@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccncc1 ZINC000675217294 1074759792 /nfs/dbraw/zinc/75/97/92/1074759792.db2.gz LLPFKJHLCYMYBD-PKOBYXMFSA-N 1 2 410.522 1.987 20 0 HDADLO C[C@@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccncc1 ZINC000675217294 1074759798 /nfs/dbraw/zinc/75/97/98/1074759798.db2.gz LLPFKJHLCYMYBD-PKOBYXMFSA-N 1 2 410.522 1.987 20 0 HDADLO CC1(c2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)no2)CCCC1 ZINC000555833427 1074760000 /nfs/dbraw/zinc/76/00/00/1074760000.db2.gz BNEUJRMISNWHPT-HZPDHXFCSA-N 1 2 404.511 2.204 20 0 HDADLO O=C(NCc1ccccc1)NC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000675218907 1074760153 /nfs/dbraw/zinc/76/01/53/1074760153.db2.gz KHOAGWOBXFZAGN-IBGZPJMESA-N 1 2 400.523 1.732 20 0 HDADLO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218603 1074760982 /nfs/dbraw/zinc/76/09/82/1074760982.db2.gz POSWBYWFSZIRKM-IAGOWNOFSA-N 1 2 409.939 1.788 20 0 HDADLO O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675220061 1074761503 /nfs/dbraw/zinc/76/15/03/1074761503.db2.gz YKAMXFCXIXSVBV-PKOBYXMFSA-N 1 2 407.536 1.163 20 0 HDADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)C2=O ZINC000675219768 1074762245 /nfs/dbraw/zinc/76/22/45/1074762245.db2.gz MXEDGZFZNZKMKK-ZOCZFRKYSA-N 1 2 406.527 1.056 20 0 HDADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1[C@H](C)C1CC1 ZINC000542346116 1074769061 /nfs/dbraw/zinc/76/90/61/1074769061.db2.gz PVVAAMNBKOZGPS-NXHRZFHOSA-N 1 2 403.527 1.861 20 0 HDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675269266 1074777627 /nfs/dbraw/zinc/77/76/27/1074777627.db2.gz MRHUGZHQFBBXIL-YJBOKZPZSA-N 1 2 405.524 1.725 20 0 HDADLO O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000429326209 1074778696 /nfs/dbraw/zinc/77/86/96/1074778696.db2.gz CQPFVWJKWQGMTN-RTWAWAEBSA-N 1 2 414.550 1.726 20 0 HDADLO O=C(CCOc1ccccc1)N1CCC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000675280797 1074785084 /nfs/dbraw/zinc/78/50/84/1074785084.db2.gz KHFRQPBKHFHIGT-FQEVSTJZSA-N 1 2 415.534 1.627 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000675305375 1074795490 /nfs/dbraw/zinc/79/54/90/1074795490.db2.gz LUNGEAQQCRKDEE-INIZCTEOSA-N 1 2 407.496 1.160 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000675305375 1074795496 /nfs/dbraw/zinc/79/54/96/1074795496.db2.gz LUNGEAQQCRKDEE-INIZCTEOSA-N 1 2 407.496 1.160 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@H](CO)Oc4ccccc43)CC2)cc1 ZINC000675307904 1074796075 /nfs/dbraw/zinc/79/60/75/1074796075.db2.gz XPFYWBAXYLDRJS-HXUWFJFHSA-N 1 2 411.502 1.599 20 0 HDADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000766102082 1074801003 /nfs/dbraw/zinc/80/10/03/1074801003.db2.gz BLUPCOYSRAEOKL-PMACEKPBSA-N 1 2 402.491 1.458 20 0 HDADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000766102082 1074801009 /nfs/dbraw/zinc/80/10/09/1074801009.db2.gz BLUPCOYSRAEOKL-PMACEKPBSA-N 1 2 402.491 1.458 20 0 HDADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606049947 1074814545 /nfs/dbraw/zinc/81/45/45/1074814545.db2.gz DHMPVYHWNGPYBY-UHFFFAOYSA-N 1 2 401.430 1.767 20 0 HDADLO CN(C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001129279636 1075095422 /nfs/dbraw/zinc/09/54/22/1075095422.db2.gz CAJJKRYMUSAMGO-CVEARBPZSA-N 1 2 413.515 1.448 20 0 HDADLO Cc1cc(NC(=O)CN2CCN(C(=O)[C@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)CC2)no1 ZINC000474431388 1075114279 /nfs/dbraw/zinc/11/42/79/1075114279.db2.gz HSFQKDMGDLARCR-HNNXBMFYSA-N 1 2 414.510 1.717 20 0 HDADLO Cc1cc(NC(=O)CN2CCN(C(=O)[C@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)CC2)no1 ZINC000474431388 1075114282 /nfs/dbraw/zinc/11/42/82/1075114282.db2.gz HSFQKDMGDLARCR-HNNXBMFYSA-N 1 2 414.510 1.717 20 0 HDADLO CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000143453300 1075126419 /nfs/dbraw/zinc/12/64/19/1075126419.db2.gz SZJXMRUOMHQBFX-AWEZNQCLSA-N 1 2 410.540 1.207 20 0 HDADLO CCCNC(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000470350397 1075127862 /nfs/dbraw/zinc/12/78/62/1075127862.db2.gz XBCWPPWUPAKXLA-UHFFFAOYSA-N 1 2 400.483 1.999 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)C[C@H]3CCOC3)cc2)CC1 ZINC000675409904 1075135308 /nfs/dbraw/zinc/13/53/08/1075135308.db2.gz QHRCJBRYJWHNSM-IEBWSBKVSA-N 1 2 402.539 1.694 20 0 HDADLO C[NH+](C)C[C@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)c2ccccc2O1 ZINC000675492004 1075176079 /nfs/dbraw/zinc/17/60/79/1075176079.db2.gz PTIBGOWEPNFTNN-AWEZNQCLSA-N 1 2 414.487 1.707 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)c1)[NH+]1CCOCC1 ZINC000675518524 1075184338 /nfs/dbraw/zinc/18/43/38/1075184338.db2.gz XYMZHVJPUBDCSK-OAHLLOKOSA-N 1 2 423.535 1.054 20 0 HDADLO CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](C)Cc1ccsc1 ZINC000442495307 1075187744 /nfs/dbraw/zinc/18/77/44/1075187744.db2.gz MTVJVFJFUJBQBB-INIZCTEOSA-N 1 2 419.551 1.695 20 0 HDADLO CCOC1CC(CNC(=O)NCC2(SC)CCOCC2)([NH+]2CCOCC2)C1 ZINC000429355493 1075192257 /nfs/dbraw/zinc/19/22/57/1075192257.db2.gz PSNUIMDRAAJNBC-UHFFFAOYSA-N 1 2 401.573 1.468 20 0 HDADLO CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000443800218 1075216243 /nfs/dbraw/zinc/21/62/43/1075216243.db2.gz DOXPUIDFKFLJCK-UHFFFAOYSA-N 1 2 424.505 1.684 20 0 HDADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN(c2cccs2)CC1 ZINC000466688519 1075219833 /nfs/dbraw/zinc/21/98/33/1075219833.db2.gz BDUXONLHJAQOJO-INIZCTEOSA-N 1 2 402.520 1.836 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000502772295 1075227241 /nfs/dbraw/zinc/22/72/41/1075227241.db2.gz FGICWYFYBFWAPQ-SNVBAGLBSA-N 1 2 401.414 1.918 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000435241793 1075244268 /nfs/dbraw/zinc/24/42/68/1075244268.db2.gz WDWUQCKJJIUCMH-HNNXBMFYSA-N 1 2 414.510 1.968 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H]1C[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001034996289 1075252576 /nfs/dbraw/zinc/25/25/76/1075252576.db2.gz DQCGYJNIGAEQKM-TXACCCEWSA-N 1 2 400.401 1.678 20 0 HDADLO Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675698396 1075253490 /nfs/dbraw/zinc/25/34/90/1075253490.db2.gz PVPLULYTOGGYEJ-QGZVFWFLSA-N 1 2 403.527 1.730 20 0 HDADLO CCOC1CC(CNC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)([NH+]2CCOCC2)C1 ZINC000429372393 1075255216 /nfs/dbraw/zinc/25/52/16/1075255216.db2.gz NCSJCVSMAJEJCD-ZUIJCZDSSA-N 1 2 409.531 1.997 20 0 HDADLO COC(=O)[C@H]1CC[N@H+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)[C@H]1C(C)C ZINC000429372070 1075255451 /nfs/dbraw/zinc/25/54/51/1075255451.db2.gz KQZVJHPVDAEECV-RYRKJORJSA-N 1 2 402.557 1.178 20 0 HDADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)[C@H]1C(C)C ZINC000429372070 1075255457 /nfs/dbraw/zinc/25/54/57/1075255457.db2.gz KQZVJHPVDAEECV-RYRKJORJSA-N 1 2 402.557 1.178 20 0 HDADLO COCc1ccc([C@H]2CCCN2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)o1 ZINC000467332049 1075256157 /nfs/dbraw/zinc/25/61/57/1075256157.db2.gz WWEBBJYJJPJYQV-QGZVFWFLSA-N 1 2 403.483 2.324 20 0 HDADLO O=C(Nc1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675702118 1075256794 /nfs/dbraw/zinc/25/67/94/1075256794.db2.gz SIDJCLJQWTVEEN-SJORKVTESA-N 1 2 403.479 1.546 20 0 HDADLO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000546800783 1075261022 /nfs/dbraw/zinc/26/10/22/1075261022.db2.gz BBVAQULKMLQCTG-CRAIPNDOSA-N 1 2 421.925 1.598 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccccc1-n1cncn1 ZINC000675737043 1075261638 /nfs/dbraw/zinc/26/16/38/1075261638.db2.gz WKZRFVRMEUXHTG-UHFFFAOYSA-N 1 2 405.462 1.730 20 0 HDADLO Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(C)C)cc1 ZINC000596034103 1075271143 /nfs/dbraw/zinc/27/11/43/1075271143.db2.gz CSDRNIIMIQVGEF-HXUWFJFHSA-N 1 2 413.522 1.917 20 0 HDADLO C[C@@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C(F)(F)F)O1 ZINC000675815114 1075276022 /nfs/dbraw/zinc/27/60/22/1075276022.db2.gz NVQZOJNFAITTBF-HUUCEWRRSA-N 1 2 414.428 1.689 20 0 HDADLO Cc1ccc(CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(C)C)s1 ZINC000438706118 1075276199 /nfs/dbraw/zinc/27/61/99/1075276199.db2.gz ZBNGMQVAJGMROZ-UHFFFAOYSA-N 1 2 419.551 1.961 20 0 HDADLO COc1c(C)cc(CN(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1C ZINC000438328952 1075276772 /nfs/dbraw/zinc/27/67/72/1075276772.db2.gz DLJNOOAWDWBSDH-UHFFFAOYSA-N 1 2 401.511 2.505 20 0 HDADLO CS(=O)(=O)N1CCc2c1cccc2NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000543646787 1075281501 /nfs/dbraw/zinc/28/15/01/1075281501.db2.gz OPZRGMVNIGHFGB-CQSZACIVSA-N 1 2 401.492 1.804 20 0 HDADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429385813 1075292865 /nfs/dbraw/zinc/29/28/65/1075292865.db2.gz IPNDFASIOXOTKK-GJZGRUSLSA-N 1 2 402.944 1.932 20 0 HDADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429385813 1075292868 /nfs/dbraw/zinc/29/28/68/1075292868.db2.gz IPNDFASIOXOTKK-GJZGRUSLSA-N 1 2 402.944 1.932 20 0 HDADLO CCc1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)no1 ZINC000675939789 1075300696 /nfs/dbraw/zinc/30/06/96/1075300696.db2.gz KEWCGRYDPHUHFQ-UHFFFAOYSA-N 1 2 405.886 1.767 20 0 HDADLO Cc1cccc(C)c1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675939942 1075302109 /nfs/dbraw/zinc/30/21/09/1075302109.db2.gz OQNFFTFZQVNGAS-UHFFFAOYSA-N 1 2 422.529 1.988 20 0 HDADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675974388 1075316930 /nfs/dbraw/zinc/31/69/30/1075316930.db2.gz BNSVYCNLHGXHDH-OAHLLOKOSA-N 1 2 407.474 1.928 20 0 HDADLO COc1ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1C(=O)N(C)C ZINC000676028388 1075329692 /nfs/dbraw/zinc/32/96/92/1075329692.db2.gz TYEQZWVMKUEKJL-UHFFFAOYSA-N 1 2 401.448 1.779 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000731445729 1075342498 /nfs/dbraw/zinc/34/24/98/1075342498.db2.gz AEAMBYRKEQPKSF-AWEZNQCLSA-N 1 2 423.514 1.724 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000731445729 1075342504 /nfs/dbraw/zinc/34/25/04/1075342504.db2.gz AEAMBYRKEQPKSF-AWEZNQCLSA-N 1 2 423.514 1.724 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CC1 ZINC000566965887 1075342917 /nfs/dbraw/zinc/34/29/17/1075342917.db2.gz FJQOMPDEPYGFIV-UHFFFAOYSA-N 1 2 421.448 1.578 20 0 HDADLO O=C(Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676092545 1075351812 /nfs/dbraw/zinc/35/18/12/1075351812.db2.gz HYGWJPWOGJXOLN-HNNXBMFYSA-N 1 2 417.897 1.787 20 0 HDADLO CCO[C@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C12CCCCC2 ZINC000428890370 1075359660 /nfs/dbraw/zinc/35/96/60/1075359660.db2.gz CLUSNHFQTSFRKP-ROUUACIJSA-N 1 2 405.543 2.465 20 0 HDADLO O=C(NCc1ccc2c(c1)C(=O)NCC2)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000543657074 1075373039 /nfs/dbraw/zinc/37/30/39/1075373039.db2.gz RORZHBYKRHYYRK-HXUWFJFHSA-N 1 2 408.502 1.673 20 0 HDADLO O=C(NCc1ccc2c(c1)C(=O)NCC2)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000543657074 1075373041 /nfs/dbraw/zinc/37/30/41/1075373041.db2.gz RORZHBYKRHYYRK-HXUWFJFHSA-N 1 2 408.502 1.673 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804086566 1075373768 /nfs/dbraw/zinc/37/37/68/1075373768.db2.gz AAOYZKGNFDULMY-JKSUJKDBSA-N 1 2 407.515 1.684 20 0 HDADLO CCOC1CC(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)([NH+]2CCOCC2)C1 ZINC000470213027 1075379221 /nfs/dbraw/zinc/37/92/21/1075379221.db2.gz ZBAMFLGSYPGAQI-LVIWNVNYSA-N 1 2 407.555 1.554 20 0 HDADLO CCS(=O)(=O)N(C)CCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541679176 1075389372 /nfs/dbraw/zinc/38/93/72/1075389372.db2.gz PAOFQHHQBCMGNI-UHFFFAOYSA-N 1 2 405.524 1.799 20 0 HDADLO CCCNC(=O)C[NH+]1CCC(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731573903 1075391943 /nfs/dbraw/zinc/39/19/43/1075391943.db2.gz LWXUNXACQOEKDL-UHFFFAOYSA-N 1 2 415.469 1.092 20 0 HDADLO O=C(NCCCN1CCCS1(=O)=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000676148772 1075399022 /nfs/dbraw/zinc/39/90/22/1075399022.db2.gz HLUCFEZDTVUMGE-RTBURBONSA-N 1 2 417.535 1.837 20 0 HDADLO CCSc1nnc(NC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)s1 ZINC000429206525 1075413097 /nfs/dbraw/zinc/41/30/97/1075413097.db2.gz GEWNLVKLYQNTHQ-AWEZNQCLSA-N 1 2 423.564 2.240 20 0 HDADLO CCn1nc(C(F)(F)F)c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C(F)F ZINC000676181213 1075423564 /nfs/dbraw/zinc/42/35/64/1075423564.db2.gz CCJNTIGTHKYPIQ-JTQLQIEISA-N 1 2 414.375 1.625 20 0 HDADLO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731648444 1075426249 /nfs/dbraw/zinc/42/62/49/1075426249.db2.gz FQXNMMBBACMKRU-KBXCAEBGSA-N 1 2 407.536 1.520 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccccc2OCc2cscn2)CC1 ZINC000731647863 1075427365 /nfs/dbraw/zinc/42/73/65/1075427365.db2.gz ALYKOFMQJPIGCN-UHFFFAOYSA-N 1 2 423.560 1.961 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000731648684 1075430311 /nfs/dbraw/zinc/43/03/11/1075430311.db2.gz RXEJSSXGJRVLSP-UHFFFAOYSA-N 1 2 402.900 1.350 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000731650324 1075430966 /nfs/dbraw/zinc/43/09/66/1075430966.db2.gz CMZWGOYLIZTFQN-AWEZNQCLSA-N 1 2 400.928 1.516 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1 ZINC000731649741 1075432790 /nfs/dbraw/zinc/43/27/90/1075432790.db2.gz YIQGBVXAWVXZHD-UHFFFAOYSA-N 1 2 410.927 1.765 20 0 HDADLO CSc1nccn1-c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650922 1075434416 /nfs/dbraw/zinc/43/44/16/1075434416.db2.gz RUJRZXJBNRTAIZ-UHFFFAOYSA-N 1 2 422.576 1.833 20 0 HDADLO Cc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)ccc12 ZINC000731650594 1075436305 /nfs/dbraw/zinc/43/63/05/1075436305.db2.gz HOXIOPOPCHHLGI-UHFFFAOYSA-N 1 2 422.503 1.105 20 0 HDADLO Cc1nc(C)c([C@@H](C)N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000731686518 1075446145 /nfs/dbraw/zinc/44/61/45/1075446145.db2.gz BTJZQNHZPJBSDT-CYBMUJFWSA-N 1 2 402.586 1.971 20 0 HDADLO O=C(NCc1nc(-c2cccc(F)c2)no1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000676244449 1075446881 /nfs/dbraw/zinc/44/68/81/1075446881.db2.gz GSJFLQILMMFOGR-UHFFFAOYSA-N 1 2 423.448 1.836 20 0 HDADLO COc1ccc(OC)c([C@@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731685891 1075448459 /nfs/dbraw/zinc/44/84/59/1075448459.db2.gz FGPARILIFMEIGV-CQSZACIVSA-N 1 2 413.540 1.573 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCc2c[nH]c3cc(F)ccc23)CC1 ZINC000731686639 1075449385 /nfs/dbraw/zinc/44/93/85/1075449385.db2.gz HYNKNFMPCYWDKD-UHFFFAOYSA-N 1 2 410.515 1.658 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000731686789 1075450707 /nfs/dbraw/zinc/45/07/07/1075450707.db2.gz PNMGUHPDVOJOHE-UHFFFAOYSA-N 1 2 407.536 1.700 20 0 HDADLO C[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000676259010 1075454883 /nfs/dbraw/zinc/45/48/83/1075454883.db2.gz ZEZFIUSLGIVQOL-BXUZGUMPSA-N 1 2 424.350 1.497 20 0 HDADLO C[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000676259010 1075454885 /nfs/dbraw/zinc/45/48/85/1075454885.db2.gz ZEZFIUSLGIVQOL-BXUZGUMPSA-N 1 2 424.350 1.497 20 0 HDADLO COc1ccc([C@H](C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(C)c1OC ZINC000554477567 1075456590 /nfs/dbraw/zinc/45/65/90/1075456590.db2.gz SISMPUAMWRNJIV-INIZCTEOSA-N 1 2 417.510 2.424 20 0 HDADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1 ZINC000731679603 1075461731 /nfs/dbraw/zinc/46/17/31/1075461731.db2.gz PYHCMZOHGBOANX-OAHLLOKOSA-N 1 2 420.539 1.137 20 0 HDADLO COc1ccc([C@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1F ZINC000731679936 1075462693 /nfs/dbraw/zinc/46/26/93/1075462693.db2.gz ZVAATBXEIUNKRB-ZDUSSCGKSA-N 1 2 401.504 1.704 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000731680620 1075463304 /nfs/dbraw/zinc/46/33/04/1075463304.db2.gz QOWNETFDWLPOBS-UHFFFAOYSA-N 1 2 419.494 1.639 20 0 HDADLO COc1ccc(CC[C@@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731684056 1075467488 /nfs/dbraw/zinc/46/74/88/1075467488.db2.gz OPIIULQTDBNGOZ-MRXNPFEDSA-N 1 2 411.568 1.825 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000676271332 1075474122 /nfs/dbraw/zinc/47/41/22/1075474122.db2.gz PPANXRIKHSNIKZ-SUMWQHHRSA-N 1 2 413.482 1.276 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3csc(NC4CC4)n3)CC2)c1 ZINC000427135726 1075490781 /nfs/dbraw/zinc/49/07/81/1075490781.db2.gz KKLIITLPRGPQOX-UHFFFAOYSA-N 1 2 402.520 2.563 20 0 HDADLO O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429421697 1075498811 /nfs/dbraw/zinc/49/88/11/1075498811.db2.gz VQWNNHGERDRCJC-HOTGVXAUSA-N 1 2 404.492 1.972 20 0 HDADLO CCCCOc1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000509404223 1075503425 /nfs/dbraw/zinc/50/34/25/1075503425.db2.gz RJQKJFOGTZPLJZ-UHFFFAOYSA-N 1 2 410.584 1.475 20 0 HDADLO CCN(Cc1ccccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)=O ZINC000731752420 1075508575 /nfs/dbraw/zinc/50/85/75/1075508575.db2.gz FETDONJWGXPQMF-UHFFFAOYSA-N 1 2 424.567 1.686 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000731751779 1075509023 /nfs/dbraw/zinc/50/90/23/1075509023.db2.gz GHXFYLOXJQQYIQ-UHFFFAOYSA-N 1 2 405.423 1.639 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 ZINC000731752644 1075509421 /nfs/dbraw/zinc/50/94/21/1075509421.db2.gz LXJGEFPPODOLQI-UHFFFAOYSA-N 1 2 422.551 1.440 20 0 HDADLO COCCOc1ccc(F)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731752895 1075510174 /nfs/dbraw/zinc/51/01/74/1075510174.db2.gz CMYYDZBHJSRPSE-UHFFFAOYSA-N 1 2 417.503 1.481 20 0 HDADLO CCc1[nH]nc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1Br ZINC000579415562 1075510673 /nfs/dbraw/zinc/51/06/73/1075510673.db2.gz OCVSFELFMCILBS-LBPRGKRZSA-N 1 2 411.304 2.170 20 0 HDADLO CCc1[nH]nc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1Br ZINC000579415562 1075510676 /nfs/dbraw/zinc/51/06/76/1075510676.db2.gz OCVSFELFMCILBS-LBPRGKRZSA-N 1 2 411.304 2.170 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)CCO1 ZINC000731759670 1075515037 /nfs/dbraw/zinc/51/50/37/1075515037.db2.gz TYXHKOYFMVERCP-CYBMUJFWSA-N 1 2 400.321 1.713 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)CCO1 ZINC000731759670 1075515043 /nfs/dbraw/zinc/51/50/43/1075515043.db2.gz TYXHKOYFMVERCP-CYBMUJFWSA-N 1 2 400.321 1.713 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000676353245 1075528680 /nfs/dbraw/zinc/52/86/80/1075528680.db2.gz CLILYPCGKGNSFC-UHFFFAOYSA-N 1 2 414.510 1.500 20 0 HDADLO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000676386757 1075534365 /nfs/dbraw/zinc/53/43/65/1075534365.db2.gz BTDVQUPGSUUGOM-ARFHVFGLSA-N 1 2 417.506 1.845 20 0 HDADLO O=C(Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)Nc1cccnc1Cl ZINC000731836234 1075543505 /nfs/dbraw/zinc/54/35/05/1075543505.db2.gz FIWUECPZBPVHNA-MRXNPFEDSA-N 1 2 413.869 1.934 20 0 HDADLO O=C(Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)Nc1cccnc1Cl ZINC000731836234 1075543514 /nfs/dbraw/zinc/54/35/14/1075543514.db2.gz FIWUECPZBPVHNA-MRXNPFEDSA-N 1 2 413.869 1.934 20 0 HDADLO Cn1ccnc(N2CC[NH+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)CC2)c1=O ZINC000466729469 1075544275 /nfs/dbraw/zinc/54/42/75/1075544275.db2.gz UHNREJOGMXXBTA-UHFFFAOYSA-N 1 2 415.513 1.869 20 0 HDADLO NC(=O)[C@H]1CC(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)=NN1c1ccccc1 ZINC000731840429 1075545728 /nfs/dbraw/zinc/54/57/28/1075545728.db2.gz AFFQDKYQWGNAPP-HXUWFJFHSA-N 1 2 407.474 1.578 20 0 HDADLO C[C@@H](c1cccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000509413931 1075553549 /nfs/dbraw/zinc/55/35/49/1075553549.db2.gz DPUDDALLRYXOCZ-LAUBAEHRSA-N 1 2 411.502 1.738 20 0 HDADLO NC(=O)c1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)c(-n2cc[nH+]c2)c1 ZINC001129216662 1075562244 /nfs/dbraw/zinc/56/22/44/1075562244.db2.gz OYFKYJLSDNROFL-UHFFFAOYSA-N 1 2 400.398 1.769 20 0 HDADLO C[C@H](c1cc(F)ccc1N1CCC(O)CC1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804161994 1075566065 /nfs/dbraw/zinc/56/60/65/1075566065.db2.gz YCRBLEKENZRFKE-PXAZEXFGSA-N 1 2 401.442 1.734 20 0 HDADLO C[C@H](c1cc(F)ccc1N1CCC(O)CC1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804161994 1075566070 /nfs/dbraw/zinc/56/60/70/1075566070.db2.gz YCRBLEKENZRFKE-PXAZEXFGSA-N 1 2 401.442 1.734 20 0 HDADLO CCn1nc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C1CC1 ZINC000468440699 1075571333 /nfs/dbraw/zinc/57/13/33/1075571333.db2.gz YPRUWQJGBQFQTN-UHFFFAOYSA-N 1 2 411.506 1.868 20 0 HDADLO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CCO2 ZINC000676504835 1075571686 /nfs/dbraw/zinc/57/16/86/1075571686.db2.gz BVMNGSNHNNKRCL-HKUYNNGSSA-N 1 2 417.506 1.348 20 0 HDADLO Cc1ccc2[nH+]cc(CNc3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)n2c1 ZINC000676495719 1075573648 /nfs/dbraw/zinc/57/36/48/1075573648.db2.gz RHOCJZPXKRQQMR-UHFFFAOYSA-N 1 2 400.508 1.731 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Oc1ccc(N2CCCC2=O)cc1 ZINC000731962681 1075576937 /nfs/dbraw/zinc/57/69/37/1075576937.db2.gz TYAXESWCPUFKKB-IBGZPJMESA-N 1 2 415.490 1.432 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccc(-n2cccn2)cc1 ZINC000731962460 1075576994 /nfs/dbraw/zinc/57/69/94/1075576994.db2.gz OETHFAQTMTVPKK-HXUWFJFHSA-N 1 2 412.490 1.629 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000731966570 1075578255 /nfs/dbraw/zinc/57/82/55/1075578255.db2.gz OUWGPJCBJKHQBH-BQYQJAHWSA-N 1 2 421.501 1.674 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)c1 ZINC000731970024 1075579641 /nfs/dbraw/zinc/57/96/41/1075579641.db2.gz AVVZGENFHANDNK-IRUYWQDXSA-N 1 2 408.502 1.953 20 0 HDADLO C[C@H]1COCCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000676541540 1075580457 /nfs/dbraw/zinc/58/04/57/1075580457.db2.gz SVJOEDLBWOLVGU-IRXDYDNUSA-N 1 2 404.515 1.102 20 0 HDADLO C[C@H]1COCCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000676541540 1075580461 /nfs/dbraw/zinc/58/04/61/1075580461.db2.gz SVJOEDLBWOLVGU-IRXDYDNUSA-N 1 2 404.515 1.102 20 0 HDADLO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000676529007 1075582209 /nfs/dbraw/zinc/58/22/09/1075582209.db2.gz CCWCJGHZLMEARY-GOSISDBHSA-N 1 2 410.474 1.769 20 0 HDADLO CC(=O)Nc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(F)cc1F ZINC000731980693 1075582537 /nfs/dbraw/zinc/58/25/37/1075582537.db2.gz BDHKYCPUKCEDSP-SFHVURJKSA-N 1 2 424.448 1.575 20 0 HDADLO O=C(NC[C@@H]1CCc2ccccc2C1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000676551374 1075583656 /nfs/dbraw/zinc/58/36/56/1075583656.db2.gz GZTMXKWTEVHDGN-QGZVFWFLSA-N 1 2 411.506 1.075 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000676551080 1075584139 /nfs/dbraw/zinc/58/41/39/1075584139.db2.gz JAXUYJIFVPHSRW-IBGZPJMESA-N 1 2 411.506 1.811 20 0 HDADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)cccc1Cl ZINC000532603269 1075585346 /nfs/dbraw/zinc/58/53/46/1075585346.db2.gz CJTPYIFZPPOHBR-CYBMUJFWSA-N 1 2 423.876 1.824 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1nc(-c2ccccc2)no1 ZINC000731988540 1075586808 /nfs/dbraw/zinc/58/68/08/1075586808.db2.gz YYYQEZDBXUSCNT-QGZVFWFLSA-N 1 2 414.462 1.493 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000676555519 1075588456 /nfs/dbraw/zinc/58/84/56/1075588456.db2.gz XUDLLNCGFUCFOI-HNNXBMFYSA-N 1 2 419.869 1.057 20 0 HDADLO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000676545618 1075592359 /nfs/dbraw/zinc/59/23/59/1075592359.db2.gz OUSVZDGPYDGLAC-UHFFFAOYSA-N 1 2 405.462 1.445 20 0 HDADLO CC1(C)CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H]1c1ccccc1 ZINC000676547475 1075593733 /nfs/dbraw/zinc/59/37/33/1075593733.db2.gz NYFBELCKJQXAAF-LJQANCHMSA-N 1 2 411.506 1.764 20 0 HDADLO COc1c(C)cc(C)cc1S(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000509420583 1075594238 /nfs/dbraw/zinc/59/42/38/1075594238.db2.gz ZEXHHUFZSJKVIM-UHFFFAOYSA-N 1 2 416.507 1.500 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000509424163 1075594507 /nfs/dbraw/zinc/59/45/07/1075594507.db2.gz CPUGBCWHKMHYIM-JOCHJYFZSA-N 1 2 424.545 1.482 20 0 HDADLO CCN1C(=O)CO[C@H](C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)[C@H]1c1ccnn1C ZINC001129229336 1075597863 /nfs/dbraw/zinc/59/78/63/1075597863.db2.gz BDEQUDNJKGKDPG-UXHICEINSA-N 1 2 422.489 1.961 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 ZINC000732122129 1075630003 /nfs/dbraw/zinc/63/00/03/1075630003.db2.gz XKCVBCPOUXGQAY-UHFFFAOYSA-N 1 2 419.931 1.316 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000732128328 1075631418 /nfs/dbraw/zinc/63/14/18/1075631418.db2.gz XEOGBAQLLHWLNR-HNNXBMFYSA-N 1 2 413.515 1.403 20 0 HDADLO COCCCNC(=O)C1CC[NH+]([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000497494892 1075631864 /nfs/dbraw/zinc/63/18/64/1075631864.db2.gz IXVKLDXMTQSDJC-HNNXBMFYSA-N 1 2 413.526 1.545 20 0 HDADLO CCOC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732166167 1075644567 /nfs/dbraw/zinc/64/45/67/1075644567.db2.gz VGUXZTFYYWRSKW-VQTJNVASSA-N 1 2 403.523 1.915 20 0 HDADLO O=C1NCCN1CCN1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1c1ccccc1Cl ZINC000676690492 1075652782 /nfs/dbraw/zinc/65/27/82/1075652782.db2.gz NBMCLMLIWMQLOZ-GOSISDBHSA-N 1 2 420.945 1.049 20 0 HDADLO O=C1NCCN1CCN1CC[N@H+](CCN2CCNC2=O)C[C@@H]1c1ccccc1Cl ZINC000676690492 1075652783 /nfs/dbraw/zinc/65/27/83/1075652783.db2.gz NBMCLMLIWMQLOZ-GOSISDBHSA-N 1 2 420.945 1.049 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+]2CCCOC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000676711741 1075657966 /nfs/dbraw/zinc/65/79/66/1075657966.db2.gz WEUPWRCMUHVREO-MRXNPFEDSA-N 1 2 411.524 1.065 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+]2CCCOC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000676711741 1075657970 /nfs/dbraw/zinc/65/79/70/1075657970.db2.gz WEUPWRCMUHVREO-MRXNPFEDSA-N 1 2 411.524 1.065 20 0 HDADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000676716890 1075659172 /nfs/dbraw/zinc/65/91/72/1075659172.db2.gz FSJKSCHABXEPGX-OAHLLOKOSA-N 1 2 411.915 1.669 20 0 HDADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000676716890 1075659177 /nfs/dbraw/zinc/65/91/77/1075659177.db2.gz FSJKSCHABXEPGX-OAHLLOKOSA-N 1 2 411.915 1.669 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1C ZINC000676716892 1075659519 /nfs/dbraw/zinc/65/95/19/1075659519.db2.gz FTVUDPKOIVIVJC-MRXNPFEDSA-N 1 2 405.524 1.585 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1C ZINC000676716892 1075659523 /nfs/dbraw/zinc/65/95/23/1075659523.db2.gz FTVUDPKOIVIVJC-MRXNPFEDSA-N 1 2 405.524 1.585 20 0 HDADLO COC(=O)CC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(F)c(F)c1 ZINC000732206204 1075664447 /nfs/dbraw/zinc/66/44/47/1075664447.db2.gz SKMZZBCJSHIWCJ-UHFFFAOYSA-N 1 2 412.433 1.695 20 0 HDADLO COC(=O)CC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(F)c(F)c1 ZINC000732206204 1075664448 /nfs/dbraw/zinc/66/44/48/1075664448.db2.gz SKMZZBCJSHIWCJ-UHFFFAOYSA-N 1 2 412.433 1.695 20 0 HDADLO CC[C@@H]1C[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C[C@H](C)O1 ZINC000732208149 1075665829 /nfs/dbraw/zinc/66/58/29/1075665829.db2.gz IXMGMOPFOHHCOX-QGLQCQMHSA-N 1 2 418.519 1.733 20 0 HDADLO CC[C@@H]1C[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C[C@H](C)O1 ZINC000732208149 1075665832 /nfs/dbraw/zinc/66/58/32/1075665832.db2.gz IXMGMOPFOHHCOX-QGLQCQMHSA-N 1 2 418.519 1.733 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)ccc1C ZINC000732210845 1075666722 /nfs/dbraw/zinc/66/67/22/1075666722.db2.gz MWJCTTJGSUOHAF-KRWDZBQOSA-N 1 2 422.551 1.319 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)ccc1C ZINC000732210845 1075666723 /nfs/dbraw/zinc/66/67/23/1075666723.db2.gz MWJCTTJGSUOHAF-KRWDZBQOSA-N 1 2 422.551 1.319 20 0 HDADLO C[C@@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 ZINC000732210598 1075667197 /nfs/dbraw/zinc/66/71/97/1075667197.db2.gz MIXYZYHTAYIIGN-QVKFZJNVSA-N 1 2 402.495 1.054 20 0 HDADLO COCc1ncc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(N)n1 ZINC000502859262 1075672351 /nfs/dbraw/zinc/67/23/51/1075672351.db2.gz DEVUCYVCGAWUGJ-RDJZCZTQSA-N 1 2 405.886 1.660 20 0 HDADLO COCc1ncc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(N)n1 ZINC000502859262 1075672355 /nfs/dbraw/zinc/67/23/55/1075672355.db2.gz DEVUCYVCGAWUGJ-RDJZCZTQSA-N 1 2 405.886 1.660 20 0 HDADLO COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000732203895 1075675384 /nfs/dbraw/zinc/67/53/84/1075675384.db2.gz LDWQGUGUKCUAOS-NRFANRHFSA-N 1 2 401.482 1.915 20 0 HDADLO CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000492350158 1075677369 /nfs/dbraw/zinc/67/73/69/1075677369.db2.gz ILEFVFLNOZHTKA-MRXNPFEDSA-N 1 2 407.482 1.437 20 0 HDADLO O=C(CSc1nnnn1C1CC1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000028182365 1075681837 /nfs/dbraw/zinc/68/18/37/1075681837.db2.gz BVPLXUQQYOXMOS-UHFFFAOYSA-N 1 2 415.523 1.319 20 0 HDADLO CCCCNc1cc(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)nc(N)[nH+]1 ZINC000553207404 1075691548 /nfs/dbraw/zinc/69/15/48/1075691548.db2.gz IFSLGMCGLUQPDS-UHFFFAOYSA-N 1 2 408.503 1.984 20 0 HDADLO CCCCNc1cc(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)[nH+]c(N)n1 ZINC000553207404 1075691549 /nfs/dbraw/zinc/69/15/49/1075691549.db2.gz IFSLGMCGLUQPDS-UHFFFAOYSA-N 1 2 408.503 1.984 20 0 HDADLO CCCCNc1cc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nc(N)[nH+]1 ZINC000439096252 1075694124 /nfs/dbraw/zinc/69/41/24/1075694124.db2.gz GZFDQGGROYEOJG-UHFFFAOYSA-N 1 2 414.539 1.662 20 0 HDADLO COc1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1S(=O)(=O)N1CCCC1 ZINC000548963399 1075699178 /nfs/dbraw/zinc/69/91/78/1075699178.db2.gz IPRHDTAXDVRUHU-UHFFFAOYSA-N 1 2 405.480 1.779 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2)C[C@H](C)O1 ZINC000548966187 1075700780 /nfs/dbraw/zinc/70/07/80/1075700780.db2.gz NTKXPKFEGVRDPI-OKILXGFUSA-N 1 2 419.507 1.783 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)n1 ZINC000604392660 1075720490 /nfs/dbraw/zinc/72/04/90/1075720490.db2.gz WSQNCMAYWXGBLF-UHFFFAOYSA-N 1 2 417.517 1.947 20 0 HDADLO COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397281 1075732694 /nfs/dbraw/zinc/73/26/94/1075732694.db2.gz OTFQHNKNKCCQHU-IAGOWNOFSA-N 1 2 419.522 1.734 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)CC2)cc1 ZINC000429474196 1075737163 /nfs/dbraw/zinc/73/71/63/1075737163.db2.gz RCJJPGACVUCICU-ILZDJORESA-N 1 2 400.523 1.922 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000434080388 1075749069 /nfs/dbraw/zinc/74/90/69/1075749069.db2.gz IXEKVPRKSWMLTG-UHFFFAOYSA-N 1 2 422.424 2.512 20 0 HDADLO O=C1C(=O)N(CN2CC[NH+](Cc3ccncc3)CC2)C(=O)N1CCc1cccs1 ZINC000732469699 1075755919 /nfs/dbraw/zinc/75/59/19/1075755919.db2.gz NNLIWGQMESTCIA-UHFFFAOYSA-N 1 2 413.503 1.252 20 0 HDADLO CC(C)Cn1c(CCC(N)=O)nn(CN2CC[NH+](Cc3ccncc3)CC2)c1=S ZINC000732469599 1075755947 /nfs/dbraw/zinc/75/59/47/1075755947.db2.gz MDYKJMQROUBFQS-UHFFFAOYSA-N 1 2 417.583 1.658 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497887311 1075755970 /nfs/dbraw/zinc/75/59/70/1075755970.db2.gz VNILQPFQXVPSPX-FUHWJXTLSA-N 1 2 415.448 1.706 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497887311 1075755973 /nfs/dbraw/zinc/75/59/73/1075755973.db2.gz VNILQPFQXVPSPX-FUHWJXTLSA-N 1 2 415.448 1.706 20 0 HDADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000466642719 1075757227 /nfs/dbraw/zinc/75/72/27/1075757227.db2.gz RLMUWOSTTNXKNR-OAHLLOKOSA-N 1 2 415.490 1.630 20 0 HDADLO CN(Cc1cccc2ccccc21)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448505875 1075769159 /nfs/dbraw/zinc/76/91/59/1075769159.db2.gz YXDOYYBTTRJMMY-UHFFFAOYSA-N 1 2 421.501 1.966 20 0 HDADLO CC(C)(C)c1cc(NC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)no1 ZINC000429058669 1075771063 /nfs/dbraw/zinc/77/10/63/1075771063.db2.gz GONTWYFWIMKSGO-MRXNPFEDSA-N 1 2 402.495 2.562 20 0 HDADLO CC(C)OC(=O)c1ccn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(=O)c1 ZINC000543691583 1075782081 /nfs/dbraw/zinc/78/20/81/1075782081.db2.gz DIVHAJZIBVNVBP-UHFFFAOYSA-N 1 2 413.474 1.884 20 0 HDADLO CN1CCN(S(=O)(=O)c2ccc(NCCCCNc3cccc[nH+]3)nc2)CC1 ZINC000520317724 1075792365 /nfs/dbraw/zinc/79/23/65/1075792365.db2.gz JVMNPBLMULSQOG-UHFFFAOYSA-N 1 2 404.540 1.717 20 0 HDADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817284 1075795055 /nfs/dbraw/zinc/79/50/55/1075795055.db2.gz CLZKXNVJYDBCNN-DOTOQJQBSA-N 1 2 400.870 2.576 20 0 HDADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817284 1075795059 /nfs/dbraw/zinc/79/50/59/1075795059.db2.gz CLZKXNVJYDBCNN-DOTOQJQBSA-N 1 2 400.870 2.576 20 0 HDADLO CC(C)C1CCC(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446812283 1075803250 /nfs/dbraw/zinc/80/32/50/1075803250.db2.gz IPDQCBBNGATSRG-UHFFFAOYSA-N 1 2 405.543 1.732 20 0 HDADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000567203433 1075804191 /nfs/dbraw/zinc/80/41/91/1075804191.db2.gz PFNMLCQUKKXEOD-GOSISDBHSA-N 1 2 409.494 1.956 20 0 HDADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000567203433 1075804195 /nfs/dbraw/zinc/80/41/95/1075804195.db2.gz PFNMLCQUKKXEOD-GOSISDBHSA-N 1 2 409.494 1.956 20 0 HDADLO CCOC(=O)C1C(C[NH+]2CCC(N(C)C(C)=O)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000143460699 1075812698 /nfs/dbraw/zinc/81/26/98/1075812698.db2.gz VMFJXMSWRKUNAH-FQEVSTJZSA-N 1 2 414.506 1.800 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(N(C)C(C)=O)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000143460699 1075812703 /nfs/dbraw/zinc/81/27/03/1075812703.db2.gz VMFJXMSWRKUNAH-FQEVSTJZSA-N 1 2 414.506 1.800 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000732703305 1075836735 /nfs/dbraw/zinc/83/67/35/1075836735.db2.gz RTEFYDZYJZXULD-UHFFFAOYSA-N 1 2 423.461 1.860 20 0 HDADLO CC(C)N(CC(=O)N1CCCCCC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000568124350 1075845025 /nfs/dbraw/zinc/84/50/25/1075845025.db2.gz ZWWNPSNAXGWYCS-UHFFFAOYSA-N 1 2 420.558 1.860 20 0 HDADLO Cc1cc(Br)cn2cc(CCNC(=O)NCCNc3cnccn3)[nH+]c12 ZINC000546861802 1075853953 /nfs/dbraw/zinc/85/39/53/1075853953.db2.gz NLEGXWCAWNFAPR-UHFFFAOYSA-N 1 2 418.299 2.149 20 0 HDADLO O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000543606732 1075856986 /nfs/dbraw/zinc/85/69/86/1075856986.db2.gz JOFGZHVYHGQLCF-MISYRCLQSA-N 1 2 419.497 1.343 20 0 HDADLO CCOC(=O)c1cnn2c1nccc2C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000611142157 1075859729 /nfs/dbraw/zinc/85/97/29/1075859729.db2.gz DWDDKDLBKQSZEB-UHFFFAOYSA-N 1 2 409.446 1.991 20 0 HDADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448494733 1075869454 /nfs/dbraw/zinc/86/94/54/1075869454.db2.gz GTTPSVPVDXDDTH-FGTMMUONSA-N 1 2 405.543 1.731 20 0 HDADLO NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)c1ccc(F)cc1 ZINC000732809513 1075870264 /nfs/dbraw/zinc/87/02/64/1075870264.db2.gz WBQVEZWJGWBFMR-GOSISDBHSA-N 1 2 404.486 1.511 20 0 HDADLO NC(=O)CCN(C(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)c1ccc(F)cc1 ZINC000732809513 1075870269 /nfs/dbraw/zinc/87/02/69/1075870269.db2.gz WBQVEZWJGWBFMR-GOSISDBHSA-N 1 2 404.486 1.511 20 0 HDADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809499 1075870337 /nfs/dbraw/zinc/87/03/37/1075870337.db2.gz FHYNAAUTMCTCSL-HZSPNIEDSA-N 1 2 415.412 1.426 20 0 HDADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809499 1075870342 /nfs/dbraw/zinc/87/03/42/1075870342.db2.gz FHYNAAUTMCTCSL-HZSPNIEDSA-N 1 2 415.412 1.426 20 0 HDADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000732808887 1075870739 /nfs/dbraw/zinc/87/07/39/1075870739.db2.gz OHAYKITYIMHEPI-IBGZPJMESA-N 1 2 400.523 1.869 20 0 HDADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000732808887 1075870741 /nfs/dbraw/zinc/87/07/41/1075870741.db2.gz OHAYKITYIMHEPI-IBGZPJMESA-N 1 2 400.523 1.869 20 0 HDADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810018 1075871762 /nfs/dbraw/zinc/87/17/62/1075871762.db2.gz IWENSUBGIVJTTP-GWCFXTLKSA-N 1 2 404.364 1.957 20 0 HDADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810018 1075871764 /nfs/dbraw/zinc/87/17/64/1075871764.db2.gz IWENSUBGIVJTTP-GWCFXTLKSA-N 1 2 404.364 1.957 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732812289 1075873332 /nfs/dbraw/zinc/87/33/32/1075873332.db2.gz NYNKVIKMUFNPFA-KRWDZBQOSA-N 1 2 420.579 1.690 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732812289 1075873336 /nfs/dbraw/zinc/87/33/36/1075873336.db2.gz NYNKVIKMUFNPFA-KRWDZBQOSA-N 1 2 420.579 1.690 20 0 HDADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732813839 1075875814 /nfs/dbraw/zinc/87/58/14/1075875814.db2.gz PDMIPEVGWKPWOS-JSGCOSHPSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732813839 1075875818 /nfs/dbraw/zinc/87/58/18/1075875818.db2.gz PDMIPEVGWKPWOS-JSGCOSHPSA-N 1 2 407.433 1.272 20 0 HDADLO CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)n1cc[nH+]c1 ZINC001487430505 1075877114 /nfs/dbraw/zinc/87/71/14/1075877114.db2.gz OIYONVKJCZWDHK-HGHADFFWSA-N 1 2 400.523 1.905 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000611326360 1075901385 /nfs/dbraw/zinc/90/13/85/1075901385.db2.gz FATSJLNRFGGXDY-OXJNMPFZSA-N 1 2 413.584 1.815 20 0 HDADLO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000611326362 1075901772 /nfs/dbraw/zinc/90/17/72/1075901772.db2.gz FATSJLNRFGGXDY-UZLBHIALSA-N 1 2 413.584 1.815 20 0 HDADLO COC(=O)C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000611340688 1075907016 /nfs/dbraw/zinc/90/70/16/1075907016.db2.gz GVYVZQPWXRLXCC-QGZVFWFLSA-N 1 2 402.495 1.455 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CSCCS1 ZINC000732916467 1075912944 /nfs/dbraw/zinc/91/29/44/1075912944.db2.gz RVZDBRXCCZOACJ-CABCVRRESA-N 1 2 409.581 1.247 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CSCCS1 ZINC000732916467 1075912948 /nfs/dbraw/zinc/91/29/48/1075912948.db2.gz RVZDBRXCCZOACJ-CABCVRRESA-N 1 2 409.581 1.247 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000611384455 1075922752 /nfs/dbraw/zinc/92/27/52/1075922752.db2.gz QKZHUROPLXDFKZ-MRXNPFEDSA-N 1 2 418.490 1.907 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000611384455 1075922757 /nfs/dbraw/zinc/92/27/57/1075922757.db2.gz QKZHUROPLXDFKZ-MRXNPFEDSA-N 1 2 418.490 1.907 20 0 HDADLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000732980371 1075935476 /nfs/dbraw/zinc/93/54/76/1075935476.db2.gz IVQXOKTWCQXUIR-QGZVFWFLSA-N 1 2 414.506 1.809 20 0 HDADLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000732980371 1075935479 /nfs/dbraw/zinc/93/54/79/1075935479.db2.gz IVQXOKTWCQXUIR-QGZVFWFLSA-N 1 2 414.506 1.809 20 0 HDADLO NC(=O)COc1ccc(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000732985513 1075938508 /nfs/dbraw/zinc/93/85/08/1075938508.db2.gz RIQGPAKEIXSLGE-NRFANRHFSA-N 1 2 408.502 1.474 20 0 HDADLO CCOC(=O)C1C(C[N@H+](C)CCN2CCCC2=O)=NC(=O)N[C@@H]1c1ccccc1 ZINC000732986032 1075939726 /nfs/dbraw/zinc/93/97/26/1075939726.db2.gz YOMADFNTMBLNIK-LJQANCHMSA-N 1 2 400.479 1.412 20 0 HDADLO CCOC(=O)C1C(C[N@@H+](C)CCN2CCCC2=O)=NC(=O)N[C@@H]1c1ccccc1 ZINC000732986032 1075939727 /nfs/dbraw/zinc/93/97/27/1075939727.db2.gz YOMADFNTMBLNIK-LJQANCHMSA-N 1 2 400.479 1.412 20 0 HDADLO CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)ccc21 ZINC000105154034 1075969517 /nfs/dbraw/zinc/96/95/17/1075969517.db2.gz ZHGGFNWFRHXQQQ-GOSISDBHSA-N 1 2 409.552 1.621 20 0 HDADLO CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)ccc21 ZINC000105154034 1075969522 /nfs/dbraw/zinc/96/95/22/1075969522.db2.gz ZHGGFNWFRHXQQQ-GOSISDBHSA-N 1 2 409.552 1.621 20 0 HDADLO Cc1nc(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cs1 ZINC000733107387 1075970341 /nfs/dbraw/zinc/97/03/41/1075970341.db2.gz OIEUBXJGHZBZFB-INIZCTEOSA-N 1 2 416.551 1.796 20 0 HDADLO Cc1nc(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cs1 ZINC000733107387 1075970346 /nfs/dbraw/zinc/97/03/46/1075970346.db2.gz OIEUBXJGHZBZFB-INIZCTEOSA-N 1 2 416.551 1.796 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000733151697 1075987017 /nfs/dbraw/zinc/98/70/17/1075987017.db2.gz LFSWVGUYOTUVJZ-IGCAKMCNSA-N 1 2 407.518 1.605 20 0 HDADLO CC(C)(C)S(=O)(=O)CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000733178006 1076008298 /nfs/dbraw/zinc/00/82/98/1076008298.db2.gz XCFADHFLUSFWGD-UHFFFAOYSA-N 1 2 406.508 1.855 20 0 HDADLO COC[C@]1(C)NC(=O)N(CN(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC000733298211 1076032522 /nfs/dbraw/zinc/03/25/22/1076032522.db2.gz FQYSVAWOGQNMKQ-UTKZUKDTSA-N 1 2 404.511 1.124 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)C1=O ZINC000733294619 1076041416 /nfs/dbraw/zinc/04/14/16/1076041416.db2.gz LBUJUCJVFAQNKZ-OAQYLSRUSA-N 1 2 400.479 1.202 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000733296805 1076041756 /nfs/dbraw/zinc/04/17/56/1076041756.db2.gz IPSHCXOMGAHRQE-VBKZILBWSA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000733296805 1076041761 /nfs/dbraw/zinc/04/17/61/1076041761.db2.gz IPSHCXOMGAHRQE-VBKZILBWSA-N 1 2 417.441 1.970 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000727106448 1076052669 /nfs/dbraw/zinc/05/26/69/1076052669.db2.gz AJPPNRDPCFWWLC-UHFFFAOYSA-N 1 2 408.549 1.719 20 0 HDADLO CC(C)(CNC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)[NH+]1CCOCC1 ZINC000053531222 1076058361 /nfs/dbraw/zinc/05/83/61/1076058361.db2.gz KEDXWPOPZNUIIV-UHFFFAOYSA-N 1 2 400.527 1.272 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)N(C)C)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000727237568 1076087671 /nfs/dbraw/zinc/08/76/71/1076087671.db2.gz LYUDOYWVGYPZHI-KRWDZBQOSA-N 1 2 404.467 1.251 20 0 HDADLO O=C(COC(=O)c1ccc(-n2cnnc2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000727521382 1076145303 /nfs/dbraw/zinc/14/53/03/1076145303.db2.gz ZCMVRKMYXFZTBH-UHFFFAOYSA-N 1 2 411.487 1.830 20 0 HDADLO COC(=O)Nc1cc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1F ZINC000727612781 1076182257 /nfs/dbraw/zinc/18/22/57/1076182257.db2.gz QAABGKXUVPNZRN-UHFFFAOYSA-N 1 2 403.414 1.834 20 0 HDADLO CCOc1ccccc1N1C(=O)C(=O)N(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)C1=O ZINC000733791019 1076208693 /nfs/dbraw/zinc/20/86/93/1076208693.db2.gz HUWQENBCHMSJIE-AWEZNQCLSA-N 1 2 415.446 1.613 20 0 HDADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000727747277 1076223386 /nfs/dbraw/zinc/22/33/86/1076223386.db2.gz FEBCLGPNVPXMLR-IBGZPJMESA-N 1 2 407.474 1.928 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000533820648 1076244828 /nfs/dbraw/zinc/24/48/28/1076244828.db2.gz VSJUCCHRGAHIFW-GOSISDBHSA-N 1 2 409.533 1.071 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000533820648 1076244836 /nfs/dbraw/zinc/24/48/36/1076244836.db2.gz VSJUCCHRGAHIFW-GOSISDBHSA-N 1 2 409.533 1.071 20 0 HDADLO CNC(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1Cl ZINC000533828629 1076245180 /nfs/dbraw/zinc/24/51/80/1076245180.db2.gz GMDGZTSKQJTSFC-QGZVFWFLSA-N 1 2 400.866 1.941 20 0 HDADLO CNC(=O)c1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1Cl ZINC000533828629 1076245183 /nfs/dbraw/zinc/24/51/83/1076245183.db2.gz GMDGZTSKQJTSFC-QGZVFWFLSA-N 1 2 400.866 1.941 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000534539598 1076247981 /nfs/dbraw/zinc/24/79/81/1076247981.db2.gz DYBVKUAPNGJMDW-INIZCTEOSA-N 1 2 423.441 1.610 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000534539598 1076247985 /nfs/dbraw/zinc/24/79/85/1076247985.db2.gz DYBVKUAPNGJMDW-INIZCTEOSA-N 1 2 423.441 1.610 20 0 HDADLO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000534541727 1076248384 /nfs/dbraw/zinc/24/83/84/1076248384.db2.gz VZMOINYASDBHED-LJQANCHMSA-N 1 2 417.469 1.893 20 0 HDADLO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000534541727 1076248385 /nfs/dbraw/zinc/24/83/85/1076248385.db2.gz VZMOINYASDBHED-LJQANCHMSA-N 1 2 417.469 1.893 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)CC1 ZINC001299319144 1076248632 /nfs/dbraw/zinc/24/86/32/1076248632.db2.gz PFSDCDFEKIKNGV-UHFFFAOYSA-N 1 2 411.503 1.186 20 0 HDADLO CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000143961852 1076249207 /nfs/dbraw/zinc/24/92/07/1076249207.db2.gz BEKPMQFYKCKFKY-PBHICJAKSA-N 1 2 404.536 1.637 20 0 HDADLO CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000143961852 1076249212 /nfs/dbraw/zinc/24/92/12/1076249212.db2.gz BEKPMQFYKCKFKY-PBHICJAKSA-N 1 2 404.536 1.637 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534840220 1076249656 /nfs/dbraw/zinc/24/96/56/1076249656.db2.gz DVRRKOKLLVBCBC-PMACEKPBSA-N 1 2 402.516 1.596 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534840220 1076249662 /nfs/dbraw/zinc/24/96/62/1076249662.db2.gz DVRRKOKLLVBCBC-PMACEKPBSA-N 1 2 402.516 1.596 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535265513 1076250555 /nfs/dbraw/zinc/25/05/55/1076250555.db2.gz JHVZESUBVZRIGU-GOSISDBHSA-N 1 2 409.533 1.402 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535265513 1076250557 /nfs/dbraw/zinc/25/05/57/1076250557.db2.gz JHVZESUBVZRIGU-GOSISDBHSA-N 1 2 409.533 1.402 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000535264043 1076250609 /nfs/dbraw/zinc/25/06/09/1076250609.db2.gz CMRXPWGEXFELNW-KRWDZBQOSA-N 1 2 413.496 1.662 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000535264043 1076250614 /nfs/dbraw/zinc/25/06/14/1076250614.db2.gz CMRXPWGEXFELNW-KRWDZBQOSA-N 1 2 413.496 1.662 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000535268045 1076250941 /nfs/dbraw/zinc/25/09/41/1076250941.db2.gz FLOMKGFWWZCXGE-INIZCTEOSA-N 1 2 421.544 1.686 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000535268045 1076250945 /nfs/dbraw/zinc/25/09/45/1076250945.db2.gz FLOMKGFWWZCXGE-INIZCTEOSA-N 1 2 421.544 1.686 20 0 HDADLO O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000144173314 1076253872 /nfs/dbraw/zinc/25/38/72/1076253872.db2.gz PCVUJWJQEDQKNH-SFHVURJKSA-N 1 2 400.523 1.796 20 0 HDADLO COc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1-n1nnnc1C ZINC000536032058 1076254075 /nfs/dbraw/zinc/25/40/75/1076254075.db2.gz HUAVTCRAVATSOW-KRWDZBQOSA-N 1 2 421.461 1.221 20 0 HDADLO COc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1-n1nnnc1C ZINC000536032058 1076254078 /nfs/dbraw/zinc/25/40/78/1076254078.db2.gz HUAVTCRAVATSOW-KRWDZBQOSA-N 1 2 421.461 1.221 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1 ZINC000536071144 1076255353 /nfs/dbraw/zinc/25/53/53/1076255353.db2.gz PDUWATZOZOQSNA-LJQANCHMSA-N 1 2 417.473 1.916 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1 ZINC000536071144 1076255356 /nfs/dbraw/zinc/25/53/56/1076255356.db2.gz PDUWATZOZOQSNA-LJQANCHMSA-N 1 2 417.473 1.916 20 0 HDADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000727831685 1076263508 /nfs/dbraw/zinc/26/35/08/1076263508.db2.gz DNDPMOFHMFUMOG-SFHVURJKSA-N 1 2 411.474 1.729 20 0 HDADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000727831125 1076263889 /nfs/dbraw/zinc/26/38/89/1076263889.db2.gz JGTVGWYFOTXSKP-SFHVURJKSA-N 1 2 416.547 1.697 20 0 HDADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000727831125 1076263892 /nfs/dbraw/zinc/26/38/92/1076263892.db2.gz JGTVGWYFOTXSKP-SFHVURJKSA-N 1 2 416.547 1.697 20 0 HDADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000727831715 1076263907 /nfs/dbraw/zinc/26/39/07/1076263907.db2.gz FMPPEYZYSWXKHI-GOSISDBHSA-N 1 2 411.474 1.729 20 0 HDADLO Cn1nc(Br)c2c1ncn(CC(=O)Nc1ccc3[nH+]ccn3c1)c2=O ZINC000733969476 1076278505 /nfs/dbraw/zinc/27/85/05/1076278505.db2.gz HPDFZFXLXBGVSN-UHFFFAOYSA-N 1 2 402.212 1.179 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3CCCOC3)CC2)cc1OC ZINC000727903421 1076279945 /nfs/dbraw/zinc/27/99/45/1076279945.db2.gz IEMBHKGTWTYURF-QGZVFWFLSA-N 1 2 420.506 1.626 20 0 HDADLO CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000727937346 1076290411 /nfs/dbraw/zinc/29/04/11/1076290411.db2.gz LQANSFLONXZCCF-SFHVURJKSA-N 1 2 423.583 1.060 20 0 HDADLO Cc1nc(C(C)C)oc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC001083148003 1076305028 /nfs/dbraw/zinc/30/50/28/1076305028.db2.gz OXYRUPTVCBXQQK-BADCMNFISA-N 1 2 401.507 1.941 20 0 HDADLO Cc1nc(C(C)C)oc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC001083148003 1076305030 /nfs/dbraw/zinc/30/50/30/1076305030.db2.gz OXYRUPTVCBXQQK-BADCMNFISA-N 1 2 401.507 1.941 20 0 HDADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000728022217 1076307027 /nfs/dbraw/zinc/30/70/27/1076307027.db2.gz NCQNTTAGPGFXNI-XJLXGCDSSA-N 1 2 413.609 1.568 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728143647 1076343309 /nfs/dbraw/zinc/34/33/09/1076343309.db2.gz VKHIZFIOFIQEIZ-UHFFFAOYSA-N 1 2 412.465 1.733 20 0 HDADLO O=C(CN1CCN(Cc2ccccn2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000025762408 1076354122 /nfs/dbraw/zinc/35/41/22/1076354122.db2.gz UGKIHDFYUXQCRM-UHFFFAOYSA-N 1 2 423.561 1.348 20 0 HDADLO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000030517898 1076367847 /nfs/dbraw/zinc/36/78/47/1076367847.db2.gz IODYOAMQRQGBBX-MRXNPFEDSA-N 1 2 419.469 1.774 20 0 HDADLO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000730129754 1076459420 /nfs/dbraw/zinc/45/94/20/1076459420.db2.gz CRURVNKKWANRLG-DLBZAZTESA-N 1 2 411.591 1.957 20 0 HDADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000730265897 1076507120 /nfs/dbraw/zinc/50/71/20/1076507120.db2.gz PQXGNBCRBOHKRT-INIZCTEOSA-N 1 2 420.510 1.691 20 0 HDADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000730265897 1076507123 /nfs/dbraw/zinc/50/71/23/1076507123.db2.gz PQXGNBCRBOHKRT-INIZCTEOSA-N 1 2 420.510 1.691 20 0 HDADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730378109 1076551821 /nfs/dbraw/zinc/55/18/21/1076551821.db2.gz IRIOMOCLHIVVQE-MSOLQXFVSA-N 1 2 417.506 1.712 20 0 HDADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730378109 1076551833 /nfs/dbraw/zinc/55/18/33/1076551833.db2.gz IRIOMOCLHIVVQE-MSOLQXFVSA-N 1 2 417.506 1.712 20 0 HDADLO CC(C)[C@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)[NH+]1CCOCC1 ZINC000730384897 1076565838 /nfs/dbraw/zinc/56/58/38/1076565838.db2.gz HHKPUBABOPNCMG-KRWDZBQOSA-N 1 2 403.458 1.423 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000730529112 1076590689 /nfs/dbraw/zinc/59/06/89/1076590689.db2.gz KLBUNRMBZRZVQN-QGZVFWFLSA-N 1 2 418.542 1.504 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000730532709 1076592361 /nfs/dbraw/zinc/59/23/61/1076592361.db2.gz AIOZEXNHPVBDAS-UHFFFAOYSA-N 1 2 407.478 1.242 20 0 HDADLO COC(=O)C1CC[NH+](CCCNC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731001915 1076707780 /nfs/dbraw/zinc/70/77/80/1076707780.db2.gz KRFLCWYIZBHKOK-UHFFFAOYSA-N 1 2 424.491 1.749 20 0 HDADLO CCOC(=O)c1cnn(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1C(F)F ZINC000731204631 1076754155 /nfs/dbraw/zinc/75/41/55/1076754155.db2.gz NTWXEIVTBBUSKY-QWHCGFSZSA-N 1 2 402.442 1.818 20 0 HDADLO CCOC(=O)c1cnn(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1C(F)F ZINC000731204631 1076754160 /nfs/dbraw/zinc/75/41/60/1076754160.db2.gz NTWXEIVTBBUSKY-QWHCGFSZSA-N 1 2 402.442 1.818 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cccc(SCC(=O)OC)n3)CC2)C1=O ZINC001164638976 719278913 /nfs/dbraw/zinc/27/89/13/719278913.db2.gz GCDWGCUECSFLHJ-UHFFFAOYSA-N 1 2 422.551 1.106 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cccc(SCC(=O)OC)n3)CC2)C1=O ZINC001164638976 719278914 /nfs/dbraw/zinc/27/89/14/719278914.db2.gz GCDWGCUECSFLHJ-UHFFFAOYSA-N 1 2 422.551 1.106 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc(-c4cccc(F)c4)n3)CC2)C1=O ZINC001164644528 719281261 /nfs/dbraw/zinc/28/12/61/719281261.db2.gz NHSUDISDQZEGBD-UHFFFAOYSA-N 1 2 414.485 1.437 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc(-c4cccc(F)c4)n3)CC2)C1=O ZINC001164644528 719281262 /nfs/dbraw/zinc/28/12/62/719281262.db2.gz NHSUDISDQZEGBD-UHFFFAOYSA-N 1 2 414.485 1.437 20 0 HDADLO COC(=O)c1c(Cl)ccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706061 719841961 /nfs/dbraw/zinc/84/19/61/719841961.db2.gz WEHMKNPKXQTPRA-DJJJIMSYSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccncc21 ZINC001164699400 719843541 /nfs/dbraw/zinc/84/35/41/719843541.db2.gz IHUGPJJESISYHR-DJJJIMSYSA-N 1 2 405.886 1.911 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164705832 719844300 /nfs/dbraw/zinc/84/43/00/719844300.db2.gz WBMMAUYBWQBYCO-FOIQADDNSA-N 1 2 409.458 1.630 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2ccc(OC)cc2n1 ZINC001164699466 719855031 /nfs/dbraw/zinc/85/50/31/719855031.db2.gz FLWOPLDGJQLIMW-YCRPNKLZSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ncsc21 ZINC001164706519 719855309 /nfs/dbraw/zinc/85/53/09/719855309.db2.gz YAGXRURGLRZHOV-DIFFPNOSSA-N 1 2 411.915 1.972 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(=O)n(C)c2n1 ZINC001164705147 719855370 /nfs/dbraw/zinc/85/53/70/719855370.db2.gz TXRQILVDMIYSGT-IIBYNOLFSA-N 1 2 400.479 1.166 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(=O)n(C)c2n1 ZINC001164705145 719855564 /nfs/dbraw/zinc/85/55/64/719855564.db2.gz TXRQILVDMIYSGT-HRAATJIYSA-N 1 2 400.479 1.166 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cccc(OC)c2n1 ZINC001164702579 719856373 /nfs/dbraw/zinc/85/63/73/719856373.db2.gz OASWPYBKEIBROB-HRAATJIYSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CC2)cn1 ZINC001164704640 719857434 /nfs/dbraw/zinc/85/74/34/719857434.db2.gz SCLJQOTZGURDCS-UWJYYQICSA-N 1 2 402.495 1.207 20 0 HDADLO CCOc1ccc(C(=O)OC)c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164699427 719858128 /nfs/dbraw/zinc/85/81/28/719858128.db2.gz FDBWILICNWCYND-BTYIYWSLSA-N 1 2 421.494 1.500 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(OC)c1 ZINC001164702497 719860191 /nfs/dbraw/zinc/86/01/91/719860191.db2.gz NLNFDZGKVRVLHQ-IERDGZPVSA-N 1 2 421.494 1.500 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(OC)c1 ZINC001164702500 719860273 /nfs/dbraw/zinc/86/02/73/719860273.db2.gz NLNFDZGKVRVLHQ-IIBYNOLFSA-N 1 2 421.494 1.500 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2c1CNC2=O ZINC001164706916 719860284 /nfs/dbraw/zinc/86/02/84/719860284.db2.gz ZOKWITKIATWNAV-BUXKBTBVSA-N 1 2 408.886 1.211 20 0 HDADLO CCOC(=O)/C=C/c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164700981 719861229 /nfs/dbraw/zinc/86/12/29/719861229.db2.gz IZHTVRNUAQAPJC-VSEMJTJDSA-N 1 2 417.506 1.891 20 0 HDADLO CCOCc1cnc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164699256 719864454 /nfs/dbraw/zinc/86/44/54/719864454.db2.gz BJLBTBVEOOSDPP-BEFAXECRSA-N 1 2 412.918 1.899 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CCCCC2)n1 ZINC001164707413 719866957 /nfs/dbraw/zinc/86/69/57/719866957.db2.gz SEIXBCQRCJQYGC-UTKZUKDTSA-N 1 2 403.527 1.700 20 0 HDADLO CCCNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164699088 719869492 /nfs/dbraw/zinc/86/94/92/719869492.db2.gz ADEMLVZKBKNQNT-DYESRHJHSA-N 1 2 404.511 1.454 20 0 HDADLO COC(=O)c1nc(Cl)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164707806 719873354 /nfs/dbraw/zinc/87/33/54/719873354.db2.gz VNXXOHDGOYXQLI-XIKOKIGWSA-N 1 2 412.874 1.149 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)OC(C)C ZINC001164701203 719876701 /nfs/dbraw/zinc/87/67/01/719876701.db2.gz FXVJYZUPZMALJD-HRAATJIYSA-N 1 2 405.495 1.880 20 0 HDADLO Cc1nc(C)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)n1 ZINC001164709473 719905385 /nfs/dbraw/zinc/90/53/85/719905385.db2.gz VPEPCABEVYCQSF-UHFFFAOYSA-N 1 2 403.918 1.431 20 0 HDADLO COc1nc(Cl)nc(C)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709471 719909048 /nfs/dbraw/zinc/90/90/48/719909048.db2.gz VNRCUZQSVWLOQC-UHFFFAOYSA-N 1 2 419.917 1.131 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(OC(C)(C)C)n1)CC2 ZINC001164709517 719909493 /nfs/dbraw/zinc/90/94/93/719909493.db2.gz XRZXHBHOHJAALV-UHFFFAOYSA-N 1 2 413.526 1.338 20 0 HDADLO CCc1c(Cl)ncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708954 719926242 /nfs/dbraw/zinc/92/62/42/719926242.db2.gz VNQIWJIIJCOREM-UHFFFAOYSA-N 1 2 403.918 1.376 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164701749 719932205 /nfs/dbraw/zinc/93/22/05/719932205.db2.gz BDTCYWLNEZJMNV-UHFFFAOYSA-N 1 2 424.883 1.964 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncn3)C2)C1 ZINC001164719747 720208895 /nfs/dbraw/zinc/20/88/95/720208895.db2.gz TUWUTYQVXQFMFF-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncn3)C2)C1 ZINC001164719747 720208903 /nfs/dbraw/zinc/20/89/03/720208903.db2.gz TUWUTYQVXQFMFF-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164717504 720252464 /nfs/dbraw/zinc/25/24/64/720252464.db2.gz AAPYZVKGXPSLPZ-ROUUACIJSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164717504 720252468 /nfs/dbraw/zinc/25/24/68/720252468.db2.gz AAPYZVKGXPSLPZ-ROUUACIJSA-N 1 2 400.882 1.527 20 0 HDADLO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(Cl)c1 ZINC001164720198 720253562 /nfs/dbraw/zinc/25/35/62/720253562.db2.gz SFNSVUSSSQNFSV-FQEVSTJZSA-N 1 2 424.929 1.577 20 0 HDADLO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(Cl)c1 ZINC001164720198 720253569 /nfs/dbraw/zinc/25/35/69/720253569.db2.gz SFNSVUSSSQNFSV-FQEVSTJZSA-N 1 2 424.929 1.577 20 0 HDADLO CCOC(=O)c1c(C)cc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1C ZINC001164718651 720260599 /nfs/dbraw/zinc/26/05/99/720260599.db2.gz GGCBNXLDQSPVTR-QFIPXVFZSA-N 1 2 418.538 1.540 20 0 HDADLO CCOC(=O)c1c(C)cc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1C ZINC001164718651 720260604 /nfs/dbraw/zinc/26/06/04/720260604.db2.gz GGCBNXLDQSPVTR-QFIPXVFZSA-N 1 2 418.538 1.540 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cncc(Cl)n3)C2)C1 ZINC001164721449 720272150 /nfs/dbraw/zinc/27/21/50/720272150.db2.gz JNXZQKZYVYCSEF-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cncc(Cl)n3)C2)C1 ZINC001164721449 720272153 /nfs/dbraw/zinc/27/21/53/720272153.db2.gz JNXZQKZYVYCSEF-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164723240 720272442 /nfs/dbraw/zinc/27/24/42/720272442.db2.gz VJAWJROPJWBKOJ-NRFANRHFSA-N 1 2 404.511 1.232 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164723240 720272453 /nfs/dbraw/zinc/27/24/53/720272453.db2.gz VJAWJROPJWBKOJ-NRFANRHFSA-N 1 2 404.511 1.232 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cnc(Cl)cn3)C2)C1 ZINC001164722784 720307872 /nfs/dbraw/zinc/30/78/72/720307872.db2.gz LKAZXTCJIJWXBI-INIZCTEOSA-N 1 2 419.860 1.220 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cnc(Cl)cn3)C2)C1 ZINC001164722784 720307877 /nfs/dbraw/zinc/30/78/77/720307877.db2.gz LKAZXTCJIJWXBI-INIZCTEOSA-N 1 2 419.860 1.220 20 0 HDADLO COc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164825505 720360234 /nfs/dbraw/zinc/36/02/34/720360234.db2.gz PWMRRFYVLMIKCX-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO COc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164825505 720360241 /nfs/dbraw/zinc/36/02/41/720360241.db2.gz PWMRRFYVLMIKCX-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc3ccccc3n1)C2 ZINC001164827061 720433364 /nfs/dbraw/zinc/43/33/64/720433364.db2.gz QRXFCVWYSZNOTE-KRWDZBQOSA-N 1 2 408.506 1.816 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ncccc31)C2 ZINC001164826388 720436869 /nfs/dbraw/zinc/43/68/69/720436869.db2.gz WBHVCVYIWQYCMQ-INIZCTEOSA-N 1 2 409.494 1.211 20 0 HDADLO CSc1cc(C)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826300 720450915 /nfs/dbraw/zinc/45/09/15/720450915.db2.gz VPIMTVBYCYLUII-MRXNPFEDSA-N 1 2 418.567 1.693 20 0 HDADLO CSc1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831747 720470168 /nfs/dbraw/zinc/47/01/68/720470168.db2.gz PGXCEWSKKTWUCR-INIZCTEOSA-N 1 2 403.552 1.990 20 0 HDADLO CCc1cc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164783453 721418509 /nfs/dbraw/zinc/41/85/09/721418509.db2.gz IQEAXEJFNSRRDK-IYBDPMFKSA-N 1 2 400.552 1.900 20 0 HDADLO CN1CCN(c2nccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)CC1 ZINC001164802621 721584943 /nfs/dbraw/zinc/58/49/43/721584943.db2.gz HHHACGHNZBVYCQ-ONTIZHBOSA-N 1 2 423.565 1.492 20 0 HDADLO CN1CCN(c2nccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)CC1 ZINC001164802621 721584945 /nfs/dbraw/zinc/58/49/45/721584945.db2.gz HHHACGHNZBVYCQ-ONTIZHBOSA-N 1 2 423.565 1.492 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001165010441 721692876 /nfs/dbraw/zinc/69/28/76/721692876.db2.gz WMNWNVPJMUNNPY-UHFFFAOYSA-N 1 2 413.935 1.376 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001165010441 721692889 /nfs/dbraw/zinc/69/28/89/721692889.db2.gz WMNWNVPJMUNNPY-UHFFFAOYSA-N 1 2 413.935 1.376 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(N5CCCCC5)nn4)CCO3)C2)c1 ZINC001164911918 721767676 /nfs/dbraw/zinc/76/76/76/721767676.db2.gz IIBSBHCQDJXHTK-HSZRJFAPSA-N 1 2 424.549 1.970 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(N5CCCCC5)nn4)CCO3)C2)c1 ZINC001164911918 721767684 /nfs/dbraw/zinc/76/76/84/721767684.db2.gz IIBSBHCQDJXHTK-HSZRJFAPSA-N 1 2 424.549 1.970 20 0 HDADLO CCOC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913028 721770119 /nfs/dbraw/zinc/77/01/19/721770119.db2.gz TYWSQJZKNAQMRZ-JOCHJYFZSA-N 1 2 412.490 1.761 20 0 HDADLO CCOC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913028 721770122 /nfs/dbraw/zinc/77/01/22/721770122.db2.gz TYWSQJZKNAQMRZ-JOCHJYFZSA-N 1 2 412.490 1.761 20 0 HDADLO c1nnc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)o1 ZINC001164913173 721797127 /nfs/dbraw/zinc/79/71/27/721797127.db2.gz AHJWGPTVIJHNHI-OAQYLSRUSA-N 1 2 408.462 1.634 20 0 HDADLO c1nnc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)o1 ZINC001164913173 721797128 /nfs/dbraw/zinc/79/71/28/721797128.db2.gz AHJWGPTVIJHNHI-OAQYLSRUSA-N 1 2 408.462 1.634 20 0 HDADLO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919082 721818139 /nfs/dbraw/zinc/81/81/39/721818139.db2.gz ZSJPRVNLCQXVGQ-UHFFFAOYSA-N 1 2 401.511 1.811 20 0 HDADLO COc1c[nH+]c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1NC(C)C ZINC001164929931 721902092 /nfs/dbraw/zinc/90/20/92/721902092.db2.gz IRGUUNNBXGVNKB-UHFFFAOYSA-N 1 2 415.542 1.910 20 0 HDADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164944557 721970525 /nfs/dbraw/zinc/97/05/25/721970525.db2.gz KUOIGZWKOYORAJ-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164944557 721970526 /nfs/dbraw/zinc/97/05/26/721970526.db2.gz KUOIGZWKOYORAJ-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1ncnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C ZINC001164946093 721975027 /nfs/dbraw/zinc/97/50/27/721975027.db2.gz JZURAZXKIAVLGL-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO CCOC(=O)c1ncnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C ZINC001164946093 721975028 /nfs/dbraw/zinc/97/50/28/721975028.db2.gz JZURAZXKIAVLGL-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO NC(=O)c1nc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947750 721975957 /nfs/dbraw/zinc/97/59/57/721975957.db2.gz SSVXZCZYNAEOMQ-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO NC(=O)c1nc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947750 721975958 /nfs/dbraw/zinc/97/59/58/721975958.db2.gz SSVXZCZYNAEOMQ-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671397695 1073495966 /nfs/dbraw/zinc/49/59/66/1073495966.db2.gz ORFHRXREWIEOIW-UHFFFAOYSA-N 1 2 411.487 1.487 20 0 HDADLO CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000671398341 1073503507 /nfs/dbraw/zinc/50/35/07/1073503507.db2.gz ZWLGVDCCSOEVOI-CQSZACIVSA-N 1 2 401.467 1.258 20 0 HDADLO O=C(NCc1cccc2c1OCCCO2)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000429071152 1073509170 /nfs/dbraw/zinc/50/91/70/1073509170.db2.gz PNCCSVPVNYHWMZ-FQEVSTJZSA-N 1 2 407.536 1.855 20 0 HDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001004689813 1073537518 /nfs/dbraw/zinc/53/75/18/1073537518.db2.gz AOMAXOPFSNQAPP-ISKKNFKBSA-N 1 2 412.534 1.825 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004707346 1073557824 /nfs/dbraw/zinc/55/78/24/1073557824.db2.gz BMRJMYYMWISKCE-BYXLTROVSA-N 1 2 419.485 1.552 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)c1ccccn1 ZINC000509120219 1073595030 /nfs/dbraw/zinc/59/50/30/1073595030.db2.gz DKVDQPWWRCDUMI-JOCHJYFZSA-N 1 2 412.490 1.855 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccn1 ZINC000509123857 1073602424 /nfs/dbraw/zinc/60/24/24/1073602424.db2.gz LUDOQMZCBZWVIG-OAQYLSRUSA-N 1 2 416.547 1.855 20 0 HDADLO CN(c1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000673668913 1073622522 /nfs/dbraw/zinc/62/25/22/1073622522.db2.gz CFVMPFCRDRLJQC-UHFFFAOYSA-N 1 2 417.531 1.845 20 0 HDADLO Cc1cccn2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)[nH+]c12 ZINC000673727146 1073657772 /nfs/dbraw/zinc/65/77/72/1073657772.db2.gz RNIBQUJGEHPYSV-UHFFFAOYSA-N 1 2 418.475 1.229 20 0 HDADLO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000509129500 1073679539 /nfs/dbraw/zinc/67/95/39/1073679539.db2.gz WTPBALFBIUWXOU-INIZCTEOSA-N 1 2 423.498 1.791 20 0 HDADLO Cc1nc2sccn2c(=O)c1CC[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000509129500 1073679546 /nfs/dbraw/zinc/67/95/46/1073679546.db2.gz WTPBALFBIUWXOU-INIZCTEOSA-N 1 2 423.498 1.791 20 0 HDADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673747223 1073681503 /nfs/dbraw/zinc/68/15/03/1073681503.db2.gz RLCQFOJLDDZXEZ-INIZCTEOSA-N 1 2 400.504 1.977 20 0 HDADLO COc1cccc([C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)c2nccn2C)c1 ZINC000766026571 1073683685 /nfs/dbraw/zinc/68/36/85/1073683685.db2.gz HQPWMGPBQSQEQA-GOSISDBHSA-N 1 2 408.524 1.160 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1cnn(Cc2ccccn2)c1 ZINC000673764321 1073695273 /nfs/dbraw/zinc/69/52/73/1073695273.db2.gz CPVJKINHCQZMFH-LJQANCHMSA-N 1 2 402.524 1.656 20 0 HDADLO Cn1cc(C[C@H]2CCN(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000673760268 1073700238 /nfs/dbraw/zinc/70/02/38/1073700238.db2.gz UMFMBWBSOLUVHH-QGZVFWFLSA-N 1 2 410.522 1.904 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCCOc3ccc(S(C)(=O)=O)cc3)[nH+]c12 ZINC000673774080 1073707560 /nfs/dbraw/zinc/70/75/60/1073707560.db2.gz QEVBAQVOSJTRDL-UHFFFAOYSA-N 1 2 416.503 1.967 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)[nH+]c12 ZINC000673770419 1073714177 /nfs/dbraw/zinc/71/41/77/1073714177.db2.gz RRLHVQWJOGFWKK-HXUWFJFHSA-N 1 2 420.517 1.739 20 0 HDADLO CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673782169 1073718811 /nfs/dbraw/zinc/71/88/11/1073718811.db2.gz OKSVVPIOUNSMBO-SFHVURJKSA-N 1 2 416.522 1.477 20 0 HDADLO COc1cc(OC)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000673782748 1073722704 /nfs/dbraw/zinc/72/27/04/1073722704.db2.gz PLCXJUXMIUBVHZ-ZDUSSCGKSA-N 1 2 411.886 1.619 20 0 HDADLO CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673785572 1073726825 /nfs/dbraw/zinc/72/68/25/1073726825.db2.gz TYJKBFICMMRQBD-HNNXBMFYSA-N 1 2 422.913 1.950 20 0 HDADLO CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673785487 1073727684 /nfs/dbraw/zinc/72/76/84/1073727684.db2.gz RMFGFQFWKWXOAF-SFHVURJKSA-N 1 2 402.495 1.543 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(N4CCOCC4)c3)[nH+]c12 ZINC000673786608 1073731103 /nfs/dbraw/zinc/73/11/03/1073731103.db2.gz HWJDMOVPGZTVGN-UHFFFAOYSA-N 1 2 407.474 1.777 20 0 HDADLO O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785801 1073731284 /nfs/dbraw/zinc/73/12/84/1073731284.db2.gz ZTRYTJFWDGBMKE-QGZVFWFLSA-N 1 2 401.511 1.334 20 0 HDADLO CCNC(=O)COc1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673786223 1073731737 /nfs/dbraw/zinc/73/17/37/1073731737.db2.gz CYYHEGXRUYTFMP-UHFFFAOYSA-N 1 2 423.473 1.455 20 0 HDADLO CC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000673787610 1073740125 /nfs/dbraw/zinc/74/01/25/1073740125.db2.gz ZETKOVDQCTYABU-SFHVURJKSA-N 1 2 416.522 1.334 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccccc1I ZINC000766030324 1073741843 /nfs/dbraw/zinc/74/18/43/1073741843.db2.gz FYHHHMMGXQZKBS-UHFFFAOYSA-N 1 2 411.261 1.722 20 0 HDADLO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673787898 1073743129 /nfs/dbraw/zinc/74/31/29/1073743129.db2.gz ZFQRPRPIKBAANE-UHFFFAOYSA-N 1 2 404.434 1.224 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)[nH+]c12 ZINC000673788967 1073744913 /nfs/dbraw/zinc/74/49/13/1073744913.db2.gz QWLIKAHRJWHLRH-UHFFFAOYSA-N 1 2 409.471 1.984 20 0 HDADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673823900 1073768956 /nfs/dbraw/zinc/76/89/56/1073768956.db2.gz ZRQMYBTVRDAAMH-UHFFFAOYSA-N 1 2 416.503 1.808 20 0 HDADLO Cn1c2sc(C(=O)N3CC[NH2+][C@@H](c4ccc(Cl)cc4)C3)cc2c(=O)n(C)c1=O ZINC001168743038 1073775609 /nfs/dbraw/zinc/77/56/09/1073775609.db2.gz LYSWKDKCASLHME-CQSZACIVSA-N 1 2 418.906 1.739 20 0 HDADLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000509168333 1073886669 /nfs/dbraw/zinc/88/66/69/1073886669.db2.gz PKAACOPFPINSMF-QGZVFWFLSA-N 1 2 416.547 1.979 20 0 HDADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000030965547 1073987648 /nfs/dbraw/zinc/98/76/48/1073987648.db2.gz CEEDCACVUDQQMI-QGZVFWFLSA-N 1 2 415.563 1.666 20 0 HDADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000030965547 1073987654 /nfs/dbraw/zinc/98/76/54/1073987654.db2.gz CEEDCACVUDQQMI-QGZVFWFLSA-N 1 2 415.563 1.666 20 0 HDADLO COc1ccc(CN2CCCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2=O)cc1 ZINC000466583590 1074023959 /nfs/dbraw/zinc/02/39/59/1074023959.db2.gz HMYJARZNVIBINV-QGZVFWFLSA-N 1 2 404.511 1.160 20 0 HDADLO CC(C)(C)OC(=O)NC[C@](C)(NS(=O)(=O)CCC[NH+]1CCOCC1)C1CC1 ZINC000766048346 1074036597 /nfs/dbraw/zinc/03/65/97/1074036597.db2.gz HCDYQIDCPLUOFA-SFHVURJKSA-N 1 2 405.561 1.322 20 0 HDADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)N2CCN(c3cccnn3)CC2)CCC(=O)N1C1CC1 ZINC000509195185 1074036998 /nfs/dbraw/zinc/03/69/98/1074036998.db2.gz LUSIXEJKNKSDFF-OXQOHEQNSA-N 1 2 409.494 1.001 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCCc3ccc(F)cc32)CC1 ZINC000543534497 1074037326 /nfs/dbraw/zinc/03/73/26/1074037326.db2.gz OEDANUOWMQOIDA-UHFFFAOYSA-N 1 2 418.513 1.508 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCCc3ccc(F)cc32)CC1 ZINC000543534497 1074037332 /nfs/dbraw/zinc/03/73/32/1074037332.db2.gz OEDANUOWMQOIDA-UHFFFAOYSA-N 1 2 418.513 1.508 20 0 HDADLO Cn1cc(C(=O)Nc2ccc(OS(=O)(=O)CCC[NH+]3CCOCC3)cc2)cn1 ZINC000766048092 1074037709 /nfs/dbraw/zinc/03/77/09/1074037709.db2.gz FUYMAXIVTYZNLL-UHFFFAOYSA-N 1 2 408.480 1.103 20 0 HDADLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000543542160 1074049524 /nfs/dbraw/zinc/04/95/24/1074049524.db2.gz DMQAPBVXUBWRQB-AWEZNQCLSA-N 1 2 424.548 1.762 20 0 HDADLO C[C@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cn(-c2ccccc2)nn1 ZINC000543542892 1074051314 /nfs/dbraw/zinc/05/13/14/1074051314.db2.gz IVFDJUHMRRZCKQ-ZDUSSCGKSA-N 1 2 400.464 1.204 20 0 HDADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CNS(=O)(=O)c3ccccc3N)n2)C1 ZINC000670453324 1074060727 /nfs/dbraw/zinc/06/07/27/1074060727.db2.gz SEXBSDWFCOZULI-ZDUSSCGKSA-N 1 2 423.564 1.874 20 0 HDADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CNS(=O)(=O)c3ccccc3N)n2)C1 ZINC000670453324 1074060733 /nfs/dbraw/zinc/06/07/33/1074060733.db2.gz SEXBSDWFCOZULI-ZDUSSCGKSA-N 1 2 423.564 1.874 20 0 HDADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013770 1074063134 /nfs/dbraw/zinc/06/31/34/1074063134.db2.gz QZPBCAQLLWRYGU-LIRRHRJNSA-N 1 2 405.495 1.967 20 0 HDADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013770 1074063142 /nfs/dbraw/zinc/06/31/42/1074063142.db2.gz QZPBCAQLLWRYGU-LIRRHRJNSA-N 1 2 405.495 1.967 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000543549613 1074073797 /nfs/dbraw/zinc/07/37/97/1074073797.db2.gz ULQQKMUNFDFQOS-AWEZNQCLSA-N 1 2 414.491 1.512 20 0 HDADLO CC[C@@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001626093524 1074074294 /nfs/dbraw/zinc/07/42/94/1074074294.db2.gz MOCPQUFUSMGBBD-MOPGFXCFSA-N 1 2 417.554 1.126 20 0 HDADLO CC[C@@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001626093524 1074074303 /nfs/dbraw/zinc/07/43/03/1074074303.db2.gz MOCPQUFUSMGBBD-MOPGFXCFSA-N 1 2 417.554 1.126 20 0 HDADLO CC(C)(C)n1cccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC001626093918 1074080110 /nfs/dbraw/zinc/08/01/10/1074080110.db2.gz QGYYHGFASFYSLS-UHFFFAOYSA-N 1 2 411.506 1.467 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000674023763 1074081351 /nfs/dbraw/zinc/08/13/51/1074081351.db2.gz MYGXACCCXGOFIN-LBPRGKRZSA-N 1 2 415.002 1.921 20 0 HDADLO CCSc1nnc(NC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)s1 ZINC000429206528 1074103696 /nfs/dbraw/zinc/10/36/96/1074103696.db2.gz GEWNLVKLYQNTHQ-CQSZACIVSA-N 1 2 423.564 2.240 20 0 HDADLO Cc1ccccc1C[C@H](CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000466615169 1074117734 /nfs/dbraw/zinc/11/77/34/1074117734.db2.gz CGPJALKKNLFGGU-LJQANCHMSA-N 1 2 411.506 1.503 20 0 HDADLO CCc1cc(N2CCC(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)CC2)ncn1 ZINC000674090929 1074180680 /nfs/dbraw/zinc/18/06/80/1074180680.db2.gz HAARDAUWEAFNTA-SFHVURJKSA-N 1 2 411.510 1.184 20 0 HDADLO CCOC1CC(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)([NH+]2CCOCC2)C1 ZINC001128616765 1074185489 /nfs/dbraw/zinc/18/54/89/1074185489.db2.gz MGXFMKUZESWZAD-IDMYKUQPSA-N 1 2 419.497 1.565 20 0 HDADLO CC(=O)N[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001128642728 1074200626 /nfs/dbraw/zinc/20/06/26/1074200626.db2.gz LQTXIELQYOIFKV-GUYCJALGSA-N 1 2 412.328 1.805 20 0 HDADLO Cc1c(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000674201796 1074217090 /nfs/dbraw/zinc/21/70/90/1074217090.db2.gz FIQVKUUWTHUZJH-QGZVFWFLSA-N 1 2 408.462 1.483 20 0 HDADLO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc21 ZINC000674203062 1074217698 /nfs/dbraw/zinc/21/76/98/1074217698.db2.gz IPDQUQPCXAWUIG-KRWDZBQOSA-N 1 2 410.478 1.777 20 0 HDADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)CC1 ZINC000674202430 1074218573 /nfs/dbraw/zinc/21/85/73/1074218573.db2.gz QETSWTNJJCLJBF-MRXNPFEDSA-N 1 2 407.474 1.465 20 0 HDADLO O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674203264 1074219220 /nfs/dbraw/zinc/21/92/20/1074219220.db2.gz KKMXYAUJFZEJTC-INIZCTEOSA-N 1 2 411.462 1.158 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(OCC(=O)N(C)C)c1 ZINC000674204503 1074220374 /nfs/dbraw/zinc/22/03/74/1074220374.db2.gz YTPSRRYWDXFKKY-INIZCTEOSA-N 1 2 413.478 1.461 20 0 HDADLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C(=O)N(C)Cc3nnc4n3CCC4)C(C)C)ccn12 ZINC001128661723 1074224724 /nfs/dbraw/zinc/22/47/24/1074224724.db2.gz QPPMLDAEHIFQOM-LJQANCHMSA-N 1 2 409.494 1.593 20 0 HDADLO C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)c1ccncc1 ZINC000674224620 1074233157 /nfs/dbraw/zinc/23/31/57/1074233157.db2.gz CFMSVORCQHLFAV-MRXNPFEDSA-N 1 2 409.490 1.328 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)c2C)on1 ZINC000509221622 1074246353 /nfs/dbraw/zinc/24/63/53/1074246353.db2.gz AHCVIENMUJHXHN-UHFFFAOYSA-N 1 2 409.450 1.027 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)c2C)on1 ZINC000509221622 1074246362 /nfs/dbraw/zinc/24/63/62/1074246362.db2.gz AHCVIENMUJHXHN-UHFFFAOYSA-N 1 2 409.450 1.027 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000674297353 1074262768 /nfs/dbraw/zinc/26/27/68/1074262768.db2.gz BRUUVZXFWJXUAY-HNNXBMFYSA-N 1 2 401.511 1.595 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(C)c1 ZINC000038541698 1074287453 /nfs/dbraw/zinc/28/74/53/1074287453.db2.gz SFXMCXAZTFROPQ-UHFFFAOYSA-N 1 2 417.535 1.441 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(C)c1 ZINC000038541698 1074287461 /nfs/dbraw/zinc/28/74/61/1074287461.db2.gz SFXMCXAZTFROPQ-UHFFFAOYSA-N 1 2 417.535 1.441 20 0 HDADLO CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c(C)o1 ZINC000674355139 1074287551 /nfs/dbraw/zinc/28/75/51/1074287551.db2.gz QUBHUYQAVRJIDM-UHFFFAOYSA-N 1 2 420.491 1.136 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCSC(C)(C)C2)CC1 ZINC000674407753 1074311983 /nfs/dbraw/zinc/31/19/83/1074311983.db2.gz CUQDHIVNXDMFLD-UHFFFAOYSA-N 1 2 404.536 1.367 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1=O ZINC000674421403 1074323957 /nfs/dbraw/zinc/32/39/57/1074323957.db2.gz WRJVPORYSSFWBE-ORAYPTAESA-N 1 2 420.539 1.971 20 0 HDADLO O=C(C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000674459036 1074362572 /nfs/dbraw/zinc/36/25/72/1074362572.db2.gz FSWRKPHQFSDYLB-VXGBXAGGSA-N 1 2 401.351 1.740 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@H](c3ccc(OC)cc3)C(C)C)CCN2C1=O ZINC000674467220 1074364777 /nfs/dbraw/zinc/36/47/77/1074364777.db2.gz COWKKUKMLINFKR-MJGOQNOKSA-N 1 2 402.495 1.477 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(OC)cc3)C(C)C)CCN2C1=O ZINC000674467220 1074364783 /nfs/dbraw/zinc/36/47/83/1074364783.db2.gz COWKKUKMLINFKR-MJGOQNOKSA-N 1 2 402.495 1.477 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674470574 1074369715 /nfs/dbraw/zinc/36/97/15/1074369715.db2.gz ZCBAZHMOLZEBDT-PKOBYXMFSA-N 1 2 400.479 1.231 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674470574 1074369722 /nfs/dbraw/zinc/36/97/22/1074369722.db2.gz ZCBAZHMOLZEBDT-PKOBYXMFSA-N 1 2 400.479 1.231 20 0 HDADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000674495176 1074404758 /nfs/dbraw/zinc/40/47/58/1074404758.db2.gz DCCYUYGTMGDFSL-LSDHHAIUSA-N 1 2 413.540 1.237 20 0 HDADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000674495176 1074404764 /nfs/dbraw/zinc/40/47/64/1074404764.db2.gz DCCYUYGTMGDFSL-LSDHHAIUSA-N 1 2 413.540 1.237 20 0 HDADLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496411 1074405994 /nfs/dbraw/zinc/40/59/94/1074405994.db2.gz WDULEIGEHZPQIS-JCGIZDLHSA-N 1 2 413.474 1.702 20 0 HDADLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496411 1074405996 /nfs/dbraw/zinc/40/59/96/1074405996.db2.gz WDULEIGEHZPQIS-JCGIZDLHSA-N 1 2 413.474 1.702 20 0 HDADLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(S(=O)(=O)c3cccc4c3OCO4)CC2)no1 ZINC000509231498 1074487006 /nfs/dbraw/zinc/48/70/06/1074487006.db2.gz FVGIWAYPZAEBKL-CQSZACIVSA-N 1 2 408.480 1.782 20 0 HDADLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(S(=O)(=O)c3cccc4c3OCO4)CC2)no1 ZINC000509231498 1074487010 /nfs/dbraw/zinc/48/70/10/1074487010.db2.gz FVGIWAYPZAEBKL-CQSZACIVSA-N 1 2 408.480 1.782 20 0 HDADLO COC[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000674628383 1074492882 /nfs/dbraw/zinc/49/28/82/1074492882.db2.gz QXXUKPUMDURWSW-IRXDYDNUSA-N 1 2 404.515 1.102 20 0 HDADLO COC[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000674628383 1074492885 /nfs/dbraw/zinc/49/28/85/1074492885.db2.gz QXXUKPUMDURWSW-IRXDYDNUSA-N 1 2 404.515 1.102 20 0 HDADLO NC(=O)c1cc(Oc2cccc(OS(=O)(=O)CCC[NH+]3CCOCC3)c2)ccn1 ZINC000766063836 1074506830 /nfs/dbraw/zinc/50/68/30/1074506830.db2.gz CDGZWMDNLFNVSN-UHFFFAOYSA-N 1 2 421.475 1.404 20 0 HDADLO CCCCn1c(N)c(N(C(=O)C[N@H+](C)Cc2cn[nH]c2)C2CCCC2)c(=O)[nH]c1=O ZINC000674753559 1074548002 /nfs/dbraw/zinc/54/80/02/1074548002.db2.gz ZHXOZKIPGKMRSK-UHFFFAOYSA-N 1 2 417.514 1.462 20 0 HDADLO CCCCn1c(N)c(N(C(=O)C[N@@H+](C)Cc2cn[nH]c2)C2CCCC2)c(=O)[nH]c1=O ZINC000674753559 1074548008 /nfs/dbraw/zinc/54/80/08/1074548008.db2.gz ZHXOZKIPGKMRSK-UHFFFAOYSA-N 1 2 417.514 1.462 20 0 HDADLO CC(C)(C)[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)OCc1ccccc1 ZINC000766067609 1074549844 /nfs/dbraw/zinc/54/98/44/1074549844.db2.gz XCCTXNBYCLRUBI-GOSISDBHSA-N 1 2 412.552 1.786 20 0 HDADLO O=C(CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)OCc1ccccc1 ZINC000766085624 1074654343 /nfs/dbraw/zinc/65/43/43/1074654343.db2.gz GIHVZFZMFFHXAO-UHFFFAOYSA-N 1 2 401.467 1.470 20 0 HDADLO Cn1cc(N2C[C@H](C(=O)N(CCn3cc[nH+]c3)C3CCSCC3)CCC2=O)cn1 ZINC001128909717 1074663585 /nfs/dbraw/zinc/66/35/85/1074663585.db2.gz LOBIXAQZYTZYEK-MRXNPFEDSA-N 1 2 416.551 1.784 20 0 HDADLO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000766087711 1074676173 /nfs/dbraw/zinc/67/61/73/1074676173.db2.gz TUYAZUAMOJFQGL-DNVCBOLYSA-N 1 2 405.474 1.988 20 0 HDADLO COC(=O)CCCc1nnc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000438285925 1074702708 /nfs/dbraw/zinc/70/27/08/1074702708.db2.gz XEGYFZWGABAFHY-CQSZACIVSA-N 1 2 411.528 1.752 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000559866610 1074730190 /nfs/dbraw/zinc/73/01/90/1074730190.db2.gz ZKLMNGWMRGRJAF-ZDUSSCGKSA-N 1 2 424.427 2.148 20 0 HDADLO CN(c1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000675125740 1074730217 /nfs/dbraw/zinc/73/02/17/1074730217.db2.gz YFSBTEBQDQKODZ-AWEZNQCLSA-N 1 2 405.480 1.081 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)ccn2)CC1 ZINC000543613744 1074733848 /nfs/dbraw/zinc/73/38/48/1074733848.db2.gz KLTPDIZIEANZLD-KBAYOESNSA-N 1 2 401.511 1.794 20 0 HDADLO CC1(C)CC(=O)c2cc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c(=O)[nH]c2C1 ZINC000596320335 1074738837 /nfs/dbraw/zinc/73/88/37/1074738837.db2.gz HYAATKQGNBULAP-UHFFFAOYSA-N 1 2 413.478 1.723 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)Nc3cccc([C@H](C)[NH+]4CCOCC4)c3)CCN2C1=O ZINC000675140272 1074740067 /nfs/dbraw/zinc/74/00/67/1074740067.db2.gz ITYKNOSGLDRMMC-MAUKXSAKSA-N 1 2 415.494 1.580 20 0 HDADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000541677855 1074741827 /nfs/dbraw/zinc/74/18/27/1074741827.db2.gz XTJFBKLHNGBWIN-UHFFFAOYSA-N 1 2 402.524 1.958 20 0 HDADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000541677855 1074741830 /nfs/dbraw/zinc/74/18/30/1074741830.db2.gz XTJFBKLHNGBWIN-UHFFFAOYSA-N 1 2 402.524 1.958 20 0 HDADLO Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)nn1[C@H](C)C1CC1 ZINC000542314708 1074751322 /nfs/dbraw/zinc/75/13/22/1074751322.db2.gz JBSHVXQWDRUIHW-SJLPKXTDSA-N 1 2 405.543 1.964 20 0 HDADLO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219104 1074759575 /nfs/dbraw/zinc/75/95/75/1074759575.db2.gz YVOPYUKLGSGORE-HUUCEWRRSA-N 1 2 422.323 1.735 20 0 HDADLO O=C(c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675217953 1074759731 /nfs/dbraw/zinc/75/97/31/1074759731.db2.gz BAGTVHLJFLRLKC-IRXDYDNUSA-N 1 2 413.474 1.008 20 0 HDADLO O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000675218618 1074761079 /nfs/dbraw/zinc/76/10/79/1074761079.db2.gz QEXOPLLTLWWFKK-VQTJNVASSA-N 1 2 415.534 1.627 20 0 HDADLO O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000675218616 1074761093 /nfs/dbraw/zinc/76/10/93/1074761093.db2.gz QEXOPLLTLWWFKK-PMACEKPBSA-N 1 2 415.534 1.627 20 0 HDADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)C2=O ZINC000675219766 1074761931 /nfs/dbraw/zinc/76/19/31/1074761931.db2.gz MXEDGZFZNZKMKK-WHSLLNHNSA-N 1 2 406.527 1.056 20 0 HDADLO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2)CC1 ZINC000675219601 1074762216 /nfs/dbraw/zinc/76/22/16/1074762216.db2.gz FLWCPXHYGKLSRJ-IBGZPJMESA-N 1 2 421.563 1.654 20 0 HDADLO CC(C)C[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000675219553 1074762273 /nfs/dbraw/zinc/76/22/73/1074762273.db2.gz YDDUTFVQZQTMFV-INDMIFKZSA-N 1 2 403.523 1.285 20 0 HDADLO COc1ccc(-n2c(C)nnc2SCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000675219280 1074762779 /nfs/dbraw/zinc/76/27/79/1074762779.db2.gz LDJXIPYOEZISTB-KRWDZBQOSA-N 1 2 417.535 1.610 20 0 HDADLO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219477 1074762935 /nfs/dbraw/zinc/76/29/35/1074762935.db2.gz CBPFZQFBIZPLJK-IRXDYDNUSA-N 1 2 422.323 1.735 20 0 HDADLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000543616973 1074765147 /nfs/dbraw/zinc/76/51/47/1074765147.db2.gz PXDRGRHYCVAGHX-GOSISDBHSA-N 1 2 401.511 1.930 20 0 HDADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCC(OCCCO)CC2)c1 ZINC000675279880 1074784691 /nfs/dbraw/zinc/78/46/91/1074784691.db2.gz SALGGEGUSXYCLK-UHFFFAOYSA-N 1 2 400.479 1.916 20 0 HDADLO O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280570 1074785729 /nfs/dbraw/zinc/78/57/29/1074785729.db2.gz IRDAKBZTGIUKBQ-LJQANCHMSA-N 1 2 421.563 1.798 20 0 HDADLO NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000675322165 1074799235 /nfs/dbraw/zinc/79/92/35/1074799235.db2.gz QHDCRFFINNHSHS-JKSUJKDBSA-N 1 2 414.428 1.566 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1nnc(CC(F)(F)F)s1 ZINC000483949562 1074799282 /nfs/dbraw/zinc/79/92/82/1074799282.db2.gz CIEFKFQQYJFUGQ-CYBMUJFWSA-N 1 2 411.475 1.972 20 0 HDADLO O=C(NCc1c(F)cccc1N1CCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000554486078 1074799672 /nfs/dbraw/zinc/79/96/72/1074799672.db2.gz PIXMONPJFVCPIX-UHFFFAOYSA-N 1 2 416.501 2.276 20 0 HDADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000581697222 1074816204 /nfs/dbraw/zinc/81/62/04/1074816204.db2.gz WZHZQHNKTNSABG-UHFFFAOYSA-N 1 2 414.469 2.431 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000504517564 1074819219 /nfs/dbraw/zinc/81/92/19/1074819219.db2.gz BRKUQBCCBLBXIO-UHFFFAOYSA-N 1 2 419.489 1.967 20 0 HDADLO O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000581362939 1075109866 /nfs/dbraw/zinc/10/98/66/1075109866.db2.gz SPSJWDISBFEIGV-SFHVURJKSA-N 1 2 407.478 2.441 20 0 HDADLO O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000581362939 1075109873 /nfs/dbraw/zinc/10/98/73/1075109873.db2.gz SPSJWDISBFEIGV-SFHVURJKSA-N 1 2 407.478 2.441 20 0 HDADLO Cc1cc(NC(=O)CN2CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)no1 ZINC000604599983 1075110852 /nfs/dbraw/zinc/11/08/52/1075110852.db2.gz YVKYLWZSFPTAGH-UHFFFAOYSA-N 1 2 423.477 1.635 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)C[C@@H]3CCOC3)cc2)CC1 ZINC000675409905 1075135248 /nfs/dbraw/zinc/13/52/48/1075135248.db2.gz QHRCJBRYJWHNSM-MJGOQNOKSA-N 1 2 402.539 1.694 20 0 HDADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000429345033 1075145867 /nfs/dbraw/zinc/14/58/67/1075145867.db2.gz BFTPLQFUJGHVNM-OCCSQVGLSA-N 1 2 417.441 1.840 20 0 HDADLO COC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675466346 1075161286 /nfs/dbraw/zinc/16/12/86/1075161286.db2.gz ODVKPEPGEZOPKW-ROUUACIJSA-N 1 2 409.914 1.467 20 0 HDADLO COC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675466345 1075161326 /nfs/dbraw/zinc/16/13/26/1075161326.db2.gz ODVKPEPGEZOPKW-QZTJIDSGSA-N 1 2 409.914 1.467 20 0 HDADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000675471949 1075167994 /nfs/dbraw/zinc/16/79/94/1075167994.db2.gz WIVGSDJPOZCHEV-UHFFFAOYSA-N 1 2 423.457 1.511 20 0 HDADLO COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC000519862731 1075184294 /nfs/dbraw/zinc/18/42/94/1075184294.db2.gz HCWHOFPPLLVOGS-AZUAARDMSA-N 1 2 414.506 1.883 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000532813108 1075185309 /nfs/dbraw/zinc/18/53/09/1075185309.db2.gz NJUDLQMRGUDFPP-HXUWFJFHSA-N 1 2 411.506 1.811 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000525680783 1075185760 /nfs/dbraw/zinc/18/57/60/1075185760.db2.gz ZCGKWBOWYNGKFV-UHFFFAOYSA-N 1 2 411.506 1.706 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000462675504 1075186549 /nfs/dbraw/zinc/18/65/49/1075186549.db2.gz BMPPJENMIILZRK-UHFFFAOYSA-N 1 2 415.498 1.887 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000547995534 1075187371 /nfs/dbraw/zinc/18/73/71/1075187371.db2.gz JLEACUWOLYLDQT-SFHVURJKSA-N 1 2 421.448 2.099 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000521802100 1075189964 /nfs/dbraw/zinc/18/99/64/1075189964.db2.gz LZVASLGRBJFJJR-OAHLLOKOSA-N 1 2 417.897 1.860 20 0 HDADLO CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448498627 1075217554 /nfs/dbraw/zinc/21/75/54/1075217554.db2.gz ZHKUUQYEKOCWDC-UHFFFAOYSA-N 1 2 419.913 1.856 20 0 HDADLO CCN1CCc2ccc(NC(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cc21 ZINC000675607756 1075224834 /nfs/dbraw/zinc/22/48/34/1075224834.db2.gz PFNYLTPBMCBBJA-UHFFFAOYSA-N 1 2 412.494 1.175 20 0 HDADLO CO[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000675677439 1075252927 /nfs/dbraw/zinc/25/29/27/1075252927.db2.gz YNLNEEKDMCCVKJ-YJBOKZPZSA-N 1 2 409.914 1.324 20 0 HDADLO O=C(c1cccc(CNc2ccncn2)c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000567281820 1075265617 /nfs/dbraw/zinc/26/56/17/1075265617.db2.gz PNVRVDFPEJCKLB-HXUWFJFHSA-N 1 2 411.506 1.652 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000479007581 1075274404 /nfs/dbraw/zinc/27/44/04/1075274404.db2.gz BTXSVEXGJWWGTN-UHFFFAOYSA-N 1 2 402.322 1.833 20 0 HDADLO C[C@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000479119163 1075302141 /nfs/dbraw/zinc/30/21/41/1075302141.db2.gz OGGYQNHBJQNULU-SUMWQHHRSA-N 1 2 414.333 1.831 20 0 HDADLO COc1ccc2ccccc2c1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509374388 1075306379 /nfs/dbraw/zinc/30/63/79/1075306379.db2.gz TWZGLDYRQCVJOW-UHFFFAOYSA-N 1 2 418.563 1.458 20 0 HDADLO O=C(C[C@@H](c1ccccc1)N1CCOC1=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731336486 1075308670 /nfs/dbraw/zinc/30/86/70/1075308670.db2.gz PMAUFVQWFMGMPM-SFHVURJKSA-N 1 2 413.478 1.737 20 0 HDADLO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(n3cccn3)CC2)C1=O ZINC000731353784 1075317155 /nfs/dbraw/zinc/31/71/55/1075317155.db2.gz FIPHCEDSUIRCBR-QFIPXVFZSA-N 1 2 424.505 1.495 20 0 HDADLO NC(=O)COc1ccc(C[NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000731356034 1075318920 /nfs/dbraw/zinc/31/89/20/1075318920.db2.gz PLLNRTZARZLMPZ-UHFFFAOYSA-N 1 2 422.529 1.648 20 0 HDADLO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000429390763 1075332426 /nfs/dbraw/zinc/33/24/26/1075332426.db2.gz WTNYLEPXKUGUCO-YPLATFLCSA-N 1 2 419.555 1.275 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000804076358 1075337472 /nfs/dbraw/zinc/33/74/72/1075337472.db2.gz GGXBALGFIWTTIS-MSOLQXFVSA-N 1 2 402.882 1.792 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000804076358 1075337478 /nfs/dbraw/zinc/33/74/78/1075337478.db2.gz GGXBALGFIWTTIS-MSOLQXFVSA-N 1 2 402.882 1.792 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000731445743 1075342557 /nfs/dbraw/zinc/34/25/57/1075342557.db2.gz AIJFFENBAUJAAY-CQSZACIVSA-N 1 2 423.514 1.772 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000731445743 1075342561 /nfs/dbraw/zinc/34/25/61/1075342561.db2.gz AIJFFENBAUJAAY-CQSZACIVSA-N 1 2 423.514 1.772 20 0 HDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+]1CCC[C@]1(C)CO ZINC000546811337 1075347242 /nfs/dbraw/zinc/34/72/42/1075347242.db2.gz LFAFWUKLPPNBPZ-LJQANCHMSA-N 1 2 411.524 1.720 20 0 HDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+]1CCC[C@]1(C)CO ZINC000546811337 1075347245 /nfs/dbraw/zinc/34/72/45/1075347245.db2.gz LFAFWUKLPPNBPZ-LJQANCHMSA-N 1 2 411.524 1.720 20 0 HDADLO COC(=O)[C@@H]1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)[C@H](C(=O)OC)C1 ZINC000509381831 1075352595 /nfs/dbraw/zinc/35/25/95/1075352595.db2.gz AHFGZZYDVBJVIL-ZBFHGGJFSA-N 1 2 419.503 1.829 20 0 HDADLO CCO[C@@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C12CCCCC2 ZINC000428890367 1075353299 /nfs/dbraw/zinc/35/32/99/1075353299.db2.gz CLUSNHFQTSFRKP-QZTJIDSGSA-N 1 2 405.543 2.465 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000804087127 1075379160 /nfs/dbraw/zinc/37/91/60/1075379160.db2.gz DANHWKVTLXGDMJ-JKSUJKDBSA-N 1 2 415.494 1.903 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)C2)o1 ZINC000676118536 1075380760 /nfs/dbraw/zinc/38/07/60/1075380760.db2.gz PAVCFFJMFLITAS-MOPGFXCFSA-N 1 2 412.490 1.443 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)C2)o1 ZINC000676118536 1075380766 /nfs/dbraw/zinc/38/07/66/1075380766.db2.gz PAVCFFJMFLITAS-MOPGFXCFSA-N 1 2 412.490 1.443 20 0 HDADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000439486678 1075381004 /nfs/dbraw/zinc/38/10/04/1075381004.db2.gz MRLZCRSNISVNDC-UHFFFAOYSA-N 1 2 424.505 2.381 20 0 HDADLO COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000466714595 1075395957 /nfs/dbraw/zinc/39/59/57/1075395957.db2.gz YEYBLGOYFQLZJS-WMZOPIPTSA-N 1 2 405.495 1.270 20 0 HDADLO CN(CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)S(C)(=O)=O ZINC000676143462 1075397288 /nfs/dbraw/zinc/39/72/88/1075397288.db2.gz VZDQCWNXTJAWOH-ROUUACIJSA-N 1 2 405.524 1.692 20 0 HDADLO CC(C)(CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)NS(C)(=O)=O ZINC000676152565 1075402739 /nfs/dbraw/zinc/40/27/39/1075402739.db2.gz GXNBIQXBUOIFFF-DLBZAZTESA-N 1 2 405.524 1.739 20 0 HDADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000676137640 1075406092 /nfs/dbraw/zinc/40/60/92/1075406092.db2.gz NKDYHFJNXSOSOA-HNNXBMFYSA-N 1 2 409.914 1.476 20 0 HDADLO CS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)nc1 ZINC001129192969 1075413518 /nfs/dbraw/zinc/41/35/18/1075413518.db2.gz ZLICDODORGRCRV-UHFFFAOYSA-N 1 2 413.459 1.963 20 0 HDADLO CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1 ZINC000804108104 1075415772 /nfs/dbraw/zinc/41/57/72/1075415772.db2.gz XAAUOXBJWVMDBE-UHFFFAOYSA-N 1 2 418.538 1.534 20 0 HDADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466720002 1075421318 /nfs/dbraw/zinc/42/13/18/1075421318.db2.gz YNTSVKJFGVLUBL-ARFHVFGLSA-N 1 2 408.520 1.892 20 0 HDADLO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731647934 1075427685 /nfs/dbraw/zinc/42/76/85/1075427685.db2.gz HAPWOCKIUGPWOM-INIZCTEOSA-N 1 2 419.588 1.551 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000731649406 1075428644 /nfs/dbraw/zinc/42/86/44/1075428644.db2.gz OVWNGKDGLQUSKG-UHFFFAOYSA-N 1 2 409.335 1.997 20 0 HDADLO Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731648739 1075429405 /nfs/dbraw/zinc/42/94/05/1075429405.db2.gz HCRHCJTZAVNROH-UHFFFAOYSA-N 1 2 406.508 1.125 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 ZINC000731650341 1075431339 /nfs/dbraw/zinc/43/13/39/1075431339.db2.gz DNXRVASTLGFHMY-UHFFFAOYSA-N 1 2 408.549 1.400 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000731650076 1075432280 /nfs/dbraw/zinc/43/22/80/1075432280.db2.gz ZOLGCKYONQLJMD-UHFFFAOYSA-N 1 2 422.533 1.922 20 0 HDADLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650630 1075435369 /nfs/dbraw/zinc/43/53/69/1075435369.db2.gz JTVNHQQVZQRWIN-ZDUSSCGKSA-N 1 2 415.943 1.084 20 0 HDADLO COc1ccc(-n2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)n2)cc1 ZINC000731650555 1075435771 /nfs/dbraw/zinc/43/57/71/1075435771.db2.gz SNZGXMOMXPVZLV-UHFFFAOYSA-N 1 2 406.508 1.120 20 0 HDADLO COc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1NC(C)=O ZINC000470364034 1075440642 /nfs/dbraw/zinc/44/06/42/1075440642.db2.gz KXLUKEIIZBGYSH-UHFFFAOYSA-N 1 2 402.455 1.826 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC000731685803 1075447977 /nfs/dbraw/zinc/44/79/77/1075447977.db2.gz BVOYESNYEVTIDD-SFHVURJKSA-N 1 2 413.515 1.418 20 0 HDADLO Cc1cccc2[nH]cc(CCNC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c21 ZINC000731687049 1075449756 /nfs/dbraw/zinc/44/97/56/1075449756.db2.gz VSZCNUYUNZRBJI-UHFFFAOYSA-N 1 2 406.552 1.827 20 0 HDADLO CC(C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Nc1ccccc1 ZINC000731686698 1075450207 /nfs/dbraw/zinc/45/02/07/1075450207.db2.gz LHXULYUOCYZQNA-IBGZPJMESA-N 1 2 410.584 1.931 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000731686794 1075450693 /nfs/dbraw/zinc/45/06/93/1075450693.db2.gz PSFUUAFIZUOTJA-GOSISDBHSA-N 1 2 413.515 1.418 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000676255832 1075451181 /nfs/dbraw/zinc/45/11/81/1075451181.db2.gz NKOFZSHXDFOJBU-UHFFFAOYSA-N 1 2 418.519 1.571 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000676256806 1075451409 /nfs/dbraw/zinc/45/14/09/1075451409.db2.gz QIRLSQNSOZIBSH-HDICACEKSA-N 1 2 417.554 1.534 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000676256806 1075451414 /nfs/dbraw/zinc/45/14/14/1075451414.db2.gz QIRLSQNSOZIBSH-HDICACEKSA-N 1 2 417.554 1.534 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)C[C@@H](C)O1 ZINC000509391198 1075452002 /nfs/dbraw/zinc/45/20/02/1075452002.db2.gz XTHLJUTYZITXIP-IAGOWNOFSA-N 1 2 423.579 1.872 20 0 HDADLO O=C1NC2(CCOCC2)C(=O)N1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000731662890 1075452701 /nfs/dbraw/zinc/45/27/01/1075452701.db2.gz QMQADHURNJNIKT-UHFFFAOYSA-N 1 2 412.288 1.341 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2nc(-c3ccccc3)ns2)CC1 ZINC000731678550 1075461385 /nfs/dbraw/zinc/46/13/85/1075461385.db2.gz PQNDDZANCRXWAC-UHFFFAOYSA-N 1 2 409.537 1.836 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(N3CCCC3=O)c2)CC1 ZINC000731681885 1075465121 /nfs/dbraw/zinc/46/51/21/1075465121.db2.gz BCRUCHNWUPNBAE-UHFFFAOYSA-N 1 2 422.551 1.122 20 0 HDADLO Cc1cn2nc(N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)sc2n1 ZINC000495288713 1075465410 /nfs/dbraw/zinc/46/54/10/1075465410.db2.gz NFEOUHFUBLVGBT-CQSZACIVSA-N 1 2 400.512 1.807 20 0 HDADLO Cc1cn2nc(N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)sc2n1 ZINC000495288713 1075465413 /nfs/dbraw/zinc/46/54/13/1075465413.db2.gz NFEOUHFUBLVGBT-CQSZACIVSA-N 1 2 400.512 1.807 20 0 HDADLO CC(C)[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1nnc2ccccn21 ZINC000731683372 1075465539 /nfs/dbraw/zinc/46/55/39/1075465539.db2.gz QTKLHMQPRVMNQK-KRWDZBQOSA-N 1 2 422.555 1.235 20 0 HDADLO CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446749413 1075465829 /nfs/dbraw/zinc/46/58/29/1075465829.db2.gz AQLKUHQZGWPNFK-IBGZPJMESA-N 1 2 413.522 2.154 20 0 HDADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000731682722 1075467053 /nfs/dbraw/zinc/46/70/53/1075467053.db2.gz SPUZRGBXOYKDMX-CQSZACIVSA-N 1 2 422.551 1.441 20 0 HDADLO C[C@@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676251933 1075468502 /nfs/dbraw/zinc/46/85/02/1075468502.db2.gz SKBBKKJQLYTVCJ-APWZRJJASA-N 1 2 410.946 1.765 20 0 HDADLO C[C@@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676251933 1075468505 /nfs/dbraw/zinc/46/85/05/1075468505.db2.gz SKBBKKJQLYTVCJ-APWZRJJASA-N 1 2 410.946 1.765 20 0 HDADLO COc1cc(CCNC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)ccc1O ZINC000676271627 1075473884 /nfs/dbraw/zinc/47/38/84/1075473884.db2.gz CHHKWBMNFJASDZ-UHFFFAOYSA-N 1 2 414.462 1.238 20 0 HDADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000470219959 1075475839 /nfs/dbraw/zinc/47/58/39/1075475839.db2.gz OGLZYFHLGKTFER-UHFFFAOYSA-N 1 2 411.568 1.804 20 0 HDADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[C@@H]1C[N@H+](C)CCO1 ZINC000676287235 1075492285 /nfs/dbraw/zinc/49/22/85/1075492285.db2.gz PNZCRVDZGULYCN-OCCSQVGLSA-N 1 2 413.521 1.269 20 0 HDADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676287235 1075492293 /nfs/dbraw/zinc/49/22/93/1075492293.db2.gz PNZCRVDZGULYCN-OCCSQVGLSA-N 1 2 413.521 1.269 20 0 HDADLO CCC[N@H+](C)[C@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccc(Cl)cc1 ZINC000804128631 1075501885 /nfs/dbraw/zinc/50/18/85/1075501885.db2.gz ZTXRUUPKEQIJMX-MRXNPFEDSA-N 1 2 402.886 1.924 20 0 HDADLO CCC[N@@H+](C)[C@H](CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccc(Cl)cc1 ZINC000804128631 1075501893 /nfs/dbraw/zinc/50/18/93/1075501893.db2.gz ZTXRUUPKEQIJMX-MRXNPFEDSA-N 1 2 402.886 1.924 20 0 HDADLO COc1ccc(NC(=O)c2nnc(CN3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1 ZINC000676316965 1075506018 /nfs/dbraw/zinc/50/60/18/1075506018.db2.gz LNDRIYTYHXBIRR-HNNXBMFYSA-N 1 2 403.508 1.706 20 0 HDADLO COc1cc(CN2CC[NH+](Cc3c(C)noc3C)CC2)cc(OC)c1OCC(N)=O ZINC000509406033 1075507233 /nfs/dbraw/zinc/50/72/33/1075507233.db2.gz VYNFNCCEEHKKQO-UHFFFAOYSA-N 1 2 418.494 1.491 20 0 HDADLO COc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1NC(C)=O ZINC000731751775 1075509122 /nfs/dbraw/zinc/50/91/22/1075509122.db2.gz GFNMREKFKXOTCF-UHFFFAOYSA-N 1 2 412.512 1.284 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000676313370 1075509347 /nfs/dbraw/zinc/50/93/47/1075509347.db2.gz SXDFFIKZDKGUKA-SFHVURJKSA-N 1 2 411.568 1.612 20 0 HDADLO COCCOCc1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731753172 1075509771 /nfs/dbraw/zinc/50/97/71/1075509771.db2.gz BQLQGHFNIQJQCO-UHFFFAOYSA-N 1 2 413.540 1.480 20 0 HDADLO COCCOc1cc(C)ccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731754219 1075510527 /nfs/dbraw/zinc/51/05/27/1075510527.db2.gz QKJFUWYFIDIDCR-UHFFFAOYSA-N 1 2 413.540 1.651 20 0 HDADLO CN(C)C(=O)C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731756836 1075513247 /nfs/dbraw/zinc/51/32/47/1075513247.db2.gz QBCPAOSRAHPSHS-GOSISDBHSA-N 1 2 424.567 1.014 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000731758086 1075513545 /nfs/dbraw/zinc/51/35/45/1075513545.db2.gz GPBBZJAHADVODK-MOPGFXCFSA-N 1 2 409.552 1.715 20 0 HDADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc2)C1 ZINC000676340594 1075513949 /nfs/dbraw/zinc/51/39/49/1075513949.db2.gz BTIUQMUUSBQICI-IEBWSBKVSA-N 1 2 421.563 1.654 20 0 HDADLO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676341128 1075514031 /nfs/dbraw/zinc/51/40/31/1075514031.db2.gz OHWADURQWKPMJN-YFVAEKQCSA-N 1 2 401.507 1.538 20 0 HDADLO O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676343263 1075515678 /nfs/dbraw/zinc/51/56/78/1075515678.db2.gz ZTYBKXMEALDUEG-GOSISDBHSA-N 1 2 407.536 1.020 20 0 HDADLO CCc1cccc(CC)c1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731765104 1075518793 /nfs/dbraw/zinc/51/87/93/1075518793.db2.gz OKKNRIDNXAMLIK-UHFFFAOYSA-N 1 2 409.552 1.375 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000731764932 1075519188 /nfs/dbraw/zinc/51/91/88/1075519188.db2.gz KMILCCOLCGBFNI-UHFFFAOYSA-N 1 2 405.879 1.043 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000549757558 1075519469 /nfs/dbraw/zinc/51/94/69/1075519469.db2.gz PCPODLRKTIRRJP-UHFFFAOYSA-N 1 2 420.473 2.049 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000731764860 1075519724 /nfs/dbraw/zinc/51/97/24/1075519724.db2.gz GWFXVULHZOMLQC-UHFFFAOYSA-N 1 2 405.879 1.043 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676333283 1075522964 /nfs/dbraw/zinc/52/29/64/1075522964.db2.gz ZQDIKPAUAQJSOY-GWCFXTLKSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676333283 1075522966 /nfs/dbraw/zinc/52/29/66/1075522966.db2.gz ZQDIKPAUAQJSOY-GWCFXTLKSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000676334206 1075523067 /nfs/dbraw/zinc/52/30/67/1075523067.db2.gz SIUYGTKIFOSLOI-GXFFZTMASA-N 1 2 401.364 1.874 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000676334206 1075523071 /nfs/dbraw/zinc/52/30/71/1075523071.db2.gz SIUYGTKIFOSLOI-GXFFZTMASA-N 1 2 401.364 1.874 20 0 HDADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1F ZINC000676351278 1075528069 /nfs/dbraw/zinc/52/80/69/1075528069.db2.gz VFSSXXXQYDUPLP-UHFFFAOYSA-N 1 2 411.440 1.579 20 0 HDADLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1 ZINC000578555253 1075530216 /nfs/dbraw/zinc/53/02/16/1075530216.db2.gz MISQEFGTTGFXPZ-QGZVFWFLSA-N 1 2 414.506 2.486 20 0 HDADLO CCn1c(CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)nc2ccccc21 ZINC000785480200 1075530780 /nfs/dbraw/zinc/53/07/80/1075530780.db2.gz KVEMCPVYMRHDDO-UHFFFAOYSA-N 1 2 401.511 1.242 20 0 HDADLO CCn1c(CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)nc2ccccc21 ZINC000785480200 1075530785 /nfs/dbraw/zinc/53/07/85/1075530785.db2.gz KVEMCPVYMRHDDO-UHFFFAOYSA-N 1 2 401.511 1.242 20 0 HDADLO O=C(c1ccccc1OC(F)F)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676387601 1075534699 /nfs/dbraw/zinc/53/46/99/1075534699.db2.gz FQGFMKNZJCEYRX-RDJZCZTQSA-N 1 2 423.460 1.826 20 0 HDADLO O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676388745 1075534714 /nfs/dbraw/zinc/53/47/14/1075534714.db2.gz UAQSOBYWGYXYKD-INIZCTEOSA-N 1 2 401.488 1.282 20 0 HDADLO O=C([C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676388626 1075535193 /nfs/dbraw/zinc/53/51/93/1075535193.db2.gz PYJCKZPLKHSLTE-LVCYWYKZSA-N 1 2 419.522 1.649 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NC3CCC4(CC3)NC(=O)NC4=O)c2)cc[nH+]1 ZINC000581841411 1075538115 /nfs/dbraw/zinc/53/81/15/1075538115.db2.gz IJNFUPMTAZRIHA-UHFFFAOYSA-N 1 2 408.462 1.648 20 0 HDADLO COC(=O)c1c(C)c(C)sc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000731838637 1075544397 /nfs/dbraw/zinc/54/43/97/1075544397.db2.gz JYRIUNVEBZKJLX-HNNXBMFYSA-N 1 2 423.535 1.803 20 0 HDADLO COC(=O)c1c(C)c(C)sc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000731838639 1075544435 /nfs/dbraw/zinc/54/44/35/1075544435.db2.gz JYRIUNVEBZKJLX-OAHLLOKOSA-N 1 2 423.535 1.803 20 0 HDADLO Cn1c(=O)c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)cc2[nH]c1=S ZINC000731890757 1075557691 /nfs/dbraw/zinc/55/76/91/1075557691.db2.gz ZDLWDUJMPGNBRL-UHFFFAOYSA-N 1 2 416.547 1.987 20 0 HDADLO CON(C)C(=O)c1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000731897885 1075562197 /nfs/dbraw/zinc/56/21/97/1075562197.db2.gz ULOITJKDKIVREO-LJQANCHMSA-N 1 2 408.524 1.649 20 0 HDADLO COc1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c(OC)c1 ZINC000676496335 1075564847 /nfs/dbraw/zinc/56/48/47/1075564847.db2.gz WHLZLVBUIFOIGE-UHFFFAOYSA-N 1 2 406.508 1.793 20 0 HDADLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000429439078 1075565595 /nfs/dbraw/zinc/56/55/95/1075565595.db2.gz AQHTYULUBDZRJF-UHFFFAOYSA-N 1 2 413.482 1.335 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000676488613 1075568787 /nfs/dbraw/zinc/56/87/87/1075568787.db2.gz HIZPGYYEVPGXRH-SXLOBPIMSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000676488613 1075568792 /nfs/dbraw/zinc/56/87/92/1075568792.db2.gz HIZPGYYEVPGXRH-SXLOBPIMSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000676488613 1075568796 /nfs/dbraw/zinc/56/87/96/1075568796.db2.gz HIZPGYYEVPGXRH-SXLOBPIMSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000676488613 1075568800 /nfs/dbraw/zinc/56/88/00/1075568800.db2.gz HIZPGYYEVPGXRH-SXLOBPIMSA-N 1 2 411.502 1.961 20 0 HDADLO CCn1nc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1C1CC1 ZINC000549353914 1075574162 /nfs/dbraw/zinc/57/41/62/1075574162.db2.gz GNGCXQWZCUSEIW-UHFFFAOYSA-N 1 2 410.522 2.105 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Oc1ccc(N2CCCC2=O)cc1 ZINC000731962683 1075577034 /nfs/dbraw/zinc/57/70/34/1075577034.db2.gz TYAXESWCPUFKKB-LJQANCHMSA-N 1 2 415.490 1.432 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)c1 ZINC000731966884 1075578868 /nfs/dbraw/zinc/57/88/68/1075578868.db2.gz SDELFSYDJACUQY-HUCIYCNJSA-N 1 2 408.502 1.953 20 0 HDADLO Cn1ccnc1[C@](O)(CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C(F)(F)F ZINC000731967947 1075579182 /nfs/dbraw/zinc/57/91/82/1075579182.db2.gz BIYDWYDAWHPROM-SUMWQHHRSA-N 1 2 414.432 1.671 20 0 HDADLO Cn1ccnc1[C@](O)(CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C(F)(F)F ZINC000731967947 1075579186 /nfs/dbraw/zinc/57/91/86/1075579186.db2.gz BIYDWYDAWHPROM-SUMWQHHRSA-N 1 2 414.432 1.671 20 0 HDADLO CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000676543929 1075581734 /nfs/dbraw/zinc/58/17/34/1075581734.db2.gz CXMWTFDSJUFMID-MRXNPFEDSA-N 1 2 415.494 1.430 20 0 HDADLO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000676554385 1075586757 /nfs/dbraw/zinc/58/67/57/1075586757.db2.gz KPSFRJOJQHHAHB-OALUTQOASA-N 1 2 412.494 1.025 20 0 HDADLO O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000429446587 1075593558 /nfs/dbraw/zinc/59/35/58/1075593558.db2.gz JKGIMWBHIKBYQY-INIZCTEOSA-N 1 2 406.914 1.809 20 0 HDADLO O=C(Nc1ccc2c(cnn2C(F)F)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000676588738 1075607165 /nfs/dbraw/zinc/60/71/65/1075607165.db2.gz NCDJPUJCLUCARK-CQSZACIVSA-N 1 2 407.421 1.551 20 0 HDADLO CCO[C@@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCC[C@@H](OCC)C3)[nH+]2)C1 ZINC000676625925 1075624007 /nfs/dbraw/zinc/62/40/07/1075624007.db2.gz ANMYYZFIENWNCJ-QZTJIDSGSA-N 1 2 420.558 1.719 20 0 HDADLO CCO[C@@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCC[C@@H](OCC)C3)n2)C1 ZINC000676625925 1075624008 /nfs/dbraw/zinc/62/40/08/1075624008.db2.gz ANMYYZFIENWNCJ-QZTJIDSGSA-N 1 2 420.558 1.719 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000732121111 1075629615 /nfs/dbraw/zinc/62/96/15/1075629615.db2.gz BLHIJCORJHACEV-UHFFFAOYSA-N 1 2 403.932 1.385 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)n1 ZINC000483059293 1075641010 /nfs/dbraw/zinc/64/10/10/1075641010.db2.gz SPZJLUWIFZKIJH-OAHLLOKOSA-N 1 2 400.483 1.398 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n1 ZINC000505821537 1075641426 /nfs/dbraw/zinc/64/14/26/1075641426.db2.gz PFMHHQOMSMRUKV-AWEZNQCLSA-N 1 2 421.509 1.545 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n1 ZINC000505821537 1075641432 /nfs/dbraw/zinc/64/14/32/1075641432.db2.gz PFMHHQOMSMRUKV-AWEZNQCLSA-N 1 2 421.509 1.545 20 0 HDADLO CN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCc2c1cnn2C ZINC000676675415 1075643653 /nfs/dbraw/zinc/64/36/53/1075643653.db2.gz GITAMLIDIFICKK-GOSISDBHSA-N 1 2 410.522 1.780 20 0 HDADLO CCOC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732166164 1075644606 /nfs/dbraw/zinc/64/46/06/1075644606.db2.gz VGUXZTFYYWRSKW-UXHICEINSA-N 1 2 403.523 1.915 20 0 HDADLO COc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1S(=O)(=O)N1CCCC1 ZINC000429459857 1075655399 /nfs/dbraw/zinc/65/53/99/1075655399.db2.gz ZLEHWHKEXSQHHS-OAHLLOKOSA-N 1 2 419.507 1.813 20 0 HDADLO CCOCC[NH+]1CCN(CN2c3cc(OC(F)(F)F)ccc3C(=O)C2=O)CC1 ZINC000732180502 1075662449 /nfs/dbraw/zinc/66/24/49/1075662449.db2.gz JSCAICCGFOZICA-UHFFFAOYSA-N 1 2 401.385 1.726 20 0 HDADLO C[C@@H](C(=O)N[C@H]1CCc2nc(N)sc2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000565650336 1075668310 /nfs/dbraw/zinc/66/83/10/1075668310.db2.gz WFHMKFLVPUDADC-ZFWWWQNUSA-N 1 2 403.527 2.049 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H](c4ccco4)C3)C2=O)c1 ZINC000732206006 1075676585 /nfs/dbraw/zinc/67/65/85/1075676585.db2.gz PUJQGSRHAIRSQK-SZNDQCEHSA-N 1 2 412.446 1.576 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H](c4ccco4)C3)C2=O)c1 ZINC000732206006 1075676589 /nfs/dbraw/zinc/67/65/89/1075676589.db2.gz PUJQGSRHAIRSQK-SZNDQCEHSA-N 1 2 412.446 1.576 20 0 HDADLO CC(C)c1ccccc1OCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000732247357 1075679819 /nfs/dbraw/zinc/67/98/19/1075679819.db2.gz FAZFRTIBPGJQFH-UHFFFAOYSA-N 1 2 411.568 1.997 20 0 HDADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(=O)NCCc1ccccc1 ZINC000732230303 1075684396 /nfs/dbraw/zinc/68/43/96/1075684396.db2.gz BITOZFDEPCKPMZ-INIZCTEOSA-N 1 2 424.954 1.653 20 0 HDADLO CCOc1ccc(C2=CC[N@@H+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000509434005 1075687777 /nfs/dbraw/zinc/68/77/77/1075687777.db2.gz WLRZKUCYCOEHLD-CQSZACIVSA-N 1 2 412.490 1.425 20 0 HDADLO CCOc1ccc(C2=CC[N@H+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000509434005 1075687779 /nfs/dbraw/zinc/68/77/79/1075687779.db2.gz WLRZKUCYCOEHLD-CQSZACIVSA-N 1 2 412.490 1.425 20 0 HDADLO COc1cc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc(OC)c1OCC(F)F ZINC000576386755 1075695754 /nfs/dbraw/zinc/69/57/54/1075695754.db2.gz LRNCKMGHAFVWSQ-UHFFFAOYSA-N 1 2 415.466 2.104 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)n1 ZINC000590926472 1075720729 /nfs/dbraw/zinc/72/07/29/1075720729.db2.gz DLHJJZJFYCMSMD-UHFFFAOYSA-N 1 2 405.510 1.845 20 0 HDADLO Nc1nc(CN2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)nc2ccccc12 ZINC000507054189 1075731065 /nfs/dbraw/zinc/73/10/65/1075731065.db2.gz QCTMSRMLXOSUSN-UHFFFAOYSA-N 1 2 404.474 1.861 20 0 HDADLO Cc1cc(N2CCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000429473137 1075733400 /nfs/dbraw/zinc/73/34/00/1075733400.db2.gz QCOXQWWKVSKJBO-USXIJHARSA-N 1 2 400.527 1.749 20 0 HDADLO CC(=O)N[C@H](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)cccc1F ZINC000520912540 1075735787 /nfs/dbraw/zinc/73/57/87/1075735787.db2.gz HEVJHZDHAVULFN-QGZVFWFLSA-N 1 2 421.448 1.700 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCCn2cc[nH+]c2)c1 ZINC000509445390 1075741630 /nfs/dbraw/zinc/74/16/30/1075741630.db2.gz CQUILLMMRMZPHA-UHFFFAOYSA-N 1 2 400.526 1.282 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCCC[C@H]1CN1CCCC1=O ZINC000732453640 1075742503 /nfs/dbraw/zinc/74/25/03/1075742503.db2.gz ZQRFVKYGHCLVSD-PXNSSMCTSA-N 1 2 410.584 1.381 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCCC[C@@H]1C1OCCO1 ZINC000732456100 1075743092 /nfs/dbraw/zinc/74/30/92/1075743092.db2.gz MSDWRIARNHXXOX-HXUWFJFHSA-N 1 2 419.522 1.835 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCCC[C@@H]1C1OCCO1 ZINC000732455742 1075743362 /nfs/dbraw/zinc/74/33/62/1075743362.db2.gz PCCQKMKLYRAWHU-LJQANCHMSA-N 1 2 419.522 1.835 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCCC[C@H]1C1OCCO1 ZINC000732455740 1075743389 /nfs/dbraw/zinc/74/33/89/1075743389.db2.gz PCCQKMKLYRAWHU-IBGZPJMESA-N 1 2 419.522 1.835 20 0 HDADLO O=C(CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)NCc1ccccc1 ZINC000732447132 1075747422 /nfs/dbraw/zinc/74/74/22/1075747422.db2.gz GUYRUHMSKBSZKU-OAQYLSRUSA-N 1 2 410.518 1.546 20 0 HDADLO O=C(CCNC(=O)N1CCCC[C@H]1C1OCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000732459269 1075749669 /nfs/dbraw/zinc/74/96/69/1075749669.db2.gz QWOZNBALCSODOJ-KRWDZBQOSA-N 1 2 417.510 1.057 20 0 HDADLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(Cn2nnn(-c3ccccc3)c2=O)CC1 ZINC000732472773 1075756154 /nfs/dbraw/zinc/75/61/54/1075756154.db2.gz HYVWWKBRNPPICB-UHFFFAOYSA-N 1 2 418.505 1.469 20 0 HDADLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000732473970 1075756446 /nfs/dbraw/zinc/75/64/46/1075756446.db2.gz TWUXYYKYZLSXMX-QFIPXVFZSA-N 1 2 410.522 1.747 20 0 HDADLO COc1ccccc1[C@@H](O)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732476858 1075757068 /nfs/dbraw/zinc/75/70/68/1075757068.db2.gz ZVHINALDDNGOLK-CTNGQTDRSA-N 1 2 413.518 1.971 20 0 HDADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000466642718 1075757330 /nfs/dbraw/zinc/75/73/30/1075757330.db2.gz RLMUWOSTTNXKNR-HNNXBMFYSA-N 1 2 415.490 1.630 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000491608003 1075760267 /nfs/dbraw/zinc/76/02/67/1075760267.db2.gz SYZHHOWSCYHTDF-UHFFFAOYSA-N 1 2 421.383 1.970 20 0 HDADLO Nc1nc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)nc(Nc2ccc(F)cc2)n1 ZINC000533238316 1075760873 /nfs/dbraw/zinc/76/08/73/1075760873.db2.gz PBRXFRKWVAFCNH-UHFFFAOYSA-N 1 2 415.473 1.407 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000620886175 1075765658 /nfs/dbraw/zinc/76/56/58/1075765658.db2.gz DZPMSMUKJNYCMB-UHFFFAOYSA-N 1 2 409.494 1.727 20 0 HDADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1=O ZINC000429479430 1075766420 /nfs/dbraw/zinc/76/64/20/1075766420.db2.gz WZVCWEDXZFSXKQ-GTAWCEEGSA-N 1 2 400.523 1.238 20 0 HDADLO CN(Cc1nc2ccccc2s1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000569288349 1075772328 /nfs/dbraw/zinc/77/23/28/1075772328.db2.gz FEVDTJMNIIWGQT-UHFFFAOYSA-N 1 2 400.508 2.489 20 0 HDADLO CN(Cc1nccn1CC(F)(F)F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438309537 1075772748 /nfs/dbraw/zinc/77/27/48/1075772748.db2.gz YVYJCVLGAOADPC-UHFFFAOYSA-N 1 2 415.420 1.638 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 ZINC000732554519 1075784850 /nfs/dbraw/zinc/78/48/50/1075784850.db2.gz VHWWQOLPHBGYFV-UHFFFAOYSA-N 1 2 407.511 1.881 20 0 HDADLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000016443735 1075787860 /nfs/dbraw/zinc/78/78/60/1075787860.db2.gz GABPMEBPUAPZIX-LLVKDONJSA-N 1 2 400.401 1.101 20 0 HDADLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000016443735 1075787864 /nfs/dbraw/zinc/78/78/64/1075787864.db2.gz GABPMEBPUAPZIX-LLVKDONJSA-N 1 2 400.401 1.101 20 0 HDADLO Cc1cccn2cc(CC(=O)NCC3CCN(S(=O)(=O)C(F)(F)F)CC3)[nH+]c12 ZINC000732642889 1075812177 /nfs/dbraw/zinc/81/21/77/1075812177.db2.gz QMEBKHJBQDYGHS-UHFFFAOYSA-N 1 2 418.441 1.863 20 0 HDADLO CCOC(=O)C1C(C[NH+]2CCC(N(C)C(C)=O)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000143460502 1075812559 /nfs/dbraw/zinc/81/25/59/1075812559.db2.gz VMFJXMSWRKUNAH-HXUWFJFHSA-N 1 2 414.506 1.800 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(N(C)C(C)=O)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000143460502 1075812567 /nfs/dbraw/zinc/81/25/67/1075812567.db2.gz VMFJXMSWRKUNAH-HXUWFJFHSA-N 1 2 414.506 1.800 20 0 HDADLO COC(=O)c1nscc1S(=O)(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000611024026 1075812649 /nfs/dbraw/zinc/81/26/49/1075812649.db2.gz OBRPCXCVBVTGCS-ZDUSSCGKSA-N 1 2 406.489 1.926 20 0 HDADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)c1 ZINC000509278672 1075812846 /nfs/dbraw/zinc/81/28/46/1075812846.db2.gz IOXRMRVRCYDSCF-QGZVFWFLSA-N 1 2 404.511 1.332 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732657130 1075818269 /nfs/dbraw/zinc/81/82/69/1075818269.db2.gz KZTLIORTORFEJC-IEBWSBKVSA-N 1 2 411.474 1.782 20 0 HDADLO O=c1n(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nnn1-c1ccccc1 ZINC000732672112 1075827378 /nfs/dbraw/zinc/82/73/78/1075827378.db2.gz DBGCGFZCJZPEKJ-IBGZPJMESA-N 1 2 414.897 1.391 20 0 HDADLO CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079023939 1075830605 /nfs/dbraw/zinc/83/06/05/1075830605.db2.gz ZMZMUOREWDQWBA-WEZPBNDISA-N 1 2 400.523 1.616 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000429293085 1075833081 /nfs/dbraw/zinc/83/30/81/1075833081.db2.gz JHTZQSXBYPUABN-GJZGRUSLSA-N 1 2 424.567 1.594 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN(C)Cc3nncn3C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000429292796 1075839868 /nfs/dbraw/zinc/83/98/68/1075839868.db2.gz YELQXTTUDFIJLB-UHFFFAOYSA-N 1 2 414.558 1.861 20 0 HDADLO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000732812131 1075873686 /nfs/dbraw/zinc/87/36/86/1075873686.db2.gz BKFILZQHSQRBRD-TZMCWYRMSA-N 1 2 417.428 1.804 20 0 HDADLO COc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000732812131 1075873692 /nfs/dbraw/zinc/87/36/92/1075873692.db2.gz BKFILZQHSQRBRD-TZMCWYRMSA-N 1 2 417.428 1.804 20 0 HDADLO CCc1cc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)n[nH]1 ZINC000732880079 1075890405 /nfs/dbraw/zinc/89/04/05/1075890405.db2.gz IWLURNKOGCKQDI-UHFFFAOYSA-N 1 2 420.539 1.620 20 0 HDADLO CCc1cc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)n[nH]1 ZINC000732880079 1075890409 /nfs/dbraw/zinc/89/04/09/1075890409.db2.gz IWLURNKOGCKQDI-UHFFFAOYSA-N 1 2 420.539 1.620 20 0 HDADLO Cc1nc(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cs1 ZINC000732915480 1075911556 /nfs/dbraw/zinc/91/15/56/1075911556.db2.gz JLBCWVDTCWWLOF-OAHLLOKOSA-N 1 2 402.524 1.406 20 0 HDADLO Cc1nc(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cs1 ZINC000732915480 1075911560 /nfs/dbraw/zinc/91/15/60/1075911560.db2.gz JLBCWVDTCWWLOF-OAHLLOKOSA-N 1 2 402.524 1.406 20 0 HDADLO O=C(/C=C\C1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732917150 1075913252 /nfs/dbraw/zinc/91/32/52/1075913252.db2.gz ZTUOVJOTMZKNFA-JXCVUKRWSA-N 1 2 401.511 1.381 20 0 HDADLO O=C(/C=C\C1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732917150 1075913255 /nfs/dbraw/zinc/91/32/55/1075913255.db2.gz ZTUOVJOTMZKNFA-JXCVUKRWSA-N 1 2 401.511 1.381 20 0 HDADLO CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611380511 1075921675 /nfs/dbraw/zinc/92/16/75/1075921675.db2.gz IVQPANOKIAQTFG-MRXNPFEDSA-N 1 2 417.506 1.904 20 0 HDADLO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000611540671 1075956886 /nfs/dbraw/zinc/95/68/86/1075956886.db2.gz NCVVXOMPQBBMTP-IAGOWNOFSA-N 1 2 400.472 1.222 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490226230 1075963441 /nfs/dbraw/zinc/96/34/41/1075963441.db2.gz XXWYNJGDKHSIQR-RBUKOAKNSA-N 1 2 412.481 1.046 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490226230 1075963443 /nfs/dbraw/zinc/96/34/43/1075963443.db2.gz XXWYNJGDKHSIQR-RBUKOAKNSA-N 1 2 412.481 1.046 20 0 HDADLO CCn1c(=O)c2ccc(C(=O)NC[C@H](C)N3CC[NH+](CC)CC3)cc2[nH]c1=S ZINC000733159850 1075992552 /nfs/dbraw/zinc/99/25/52/1075992552.db2.gz YCSQDUQUJUFFAQ-AWEZNQCLSA-N 1 2 403.552 1.461 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCCCNc3cccc[nH+]3)C2)no1 ZINC000514024082 1076016322 /nfs/dbraw/zinc/01/63/22/1076016322.db2.gz GKDCJLNMLSUURJ-MRXNPFEDSA-N 1 2 415.498 1.662 20 0 HDADLO COC[C@]1(C)NC(=O)N(CN(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC000733298214 1076032837 /nfs/dbraw/zinc/03/28/37/1076032837.db2.gz FQYSVAWOGQNMKQ-UWJYYQICSA-N 1 2 404.511 1.124 20 0 HDADLO Cc1cc(C)c(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c(C)[nH+]1 ZINC000727072495 1076037627 /nfs/dbraw/zinc/03/76/27/1076037627.db2.gz AFFHWRBJKBMQNE-UHFFFAOYSA-N 1 2 405.256 1.851 20 0 HDADLO CS(=O)(=O)NCCNC(=S)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000727071075 1076038264 /nfs/dbraw/zinc/03/82/64/1076038264.db2.gz VNBVTCRGPZQBRU-UHFFFAOYSA-N 1 2 424.514 1.247 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)C1=O ZINC000733296865 1076041815 /nfs/dbraw/zinc/04/18/15/1076041815.db2.gz JJKYVXYFLBBJFP-IBGZPJMESA-N 1 2 400.439 1.225 20 0 HDADLO CSCC[C@@H]1NC(=S)N(CC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1=O ZINC000733333262 1076045628 /nfs/dbraw/zinc/04/56/28/1076045628.db2.gz KJFTWPUZJQSOTB-INIZCTEOSA-N 1 2 412.625 1.549 20 0 HDADLO CO[C@H](CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C(F)(F)F ZINC000733342343 1076047132 /nfs/dbraw/zinc/04/71/32/1076047132.db2.gz FEUFNLSCKYSECX-MRXNPFEDSA-N 1 2 405.417 1.774 20 0 HDADLO COc1ccc([C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+](C)C)cc1OC ZINC000733350345 1076049712 /nfs/dbraw/zinc/04/97/12/1076049712.db2.gz JXJYJDAPJBCGIN-OAHLLOKOSA-N 1 2 415.556 1.819 20 0 HDADLO CC(C)N(CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(=O)OC(C)(C)C ZINC000727137697 1076051651 /nfs/dbraw/zinc/05/16/51/1076051651.db2.gz XQIUVVSEXHQQDJ-UHFFFAOYSA-N 1 2 420.558 1.750 20 0 HDADLO CC(C)(CNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000053531737 1076058321 /nfs/dbraw/zinc/05/83/21/1076058321.db2.gz OJDQRXHGHREGHH-UHFFFAOYSA-N 1 2 402.539 1.835 20 0 HDADLO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC001082658113 1076062089 /nfs/dbraw/zinc/06/20/89/1076062089.db2.gz MVGKHWIJHSGXEL-IIZQIQNSSA-N 1 2 404.511 1.715 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 ZINC000021476560 1076062885 /nfs/dbraw/zinc/06/28/85/1076062885.db2.gz NKVIRZUAWONPSZ-UHFFFAOYSA-N 1 2 417.531 1.951 20 0 HDADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O ZINC000727167295 1076068131 /nfs/dbraw/zinc/06/81/31/1076068131.db2.gz LIZIMSQFMOZEDR-AWEZNQCLSA-N 1 2 402.451 1.316 20 0 HDADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O ZINC000727167295 1076068137 /nfs/dbraw/zinc/06/81/37/1076068137.db2.gz LIZIMSQFMOZEDR-AWEZNQCLSA-N 1 2 402.451 1.316 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCCO[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000727437144 1076119702 /nfs/dbraw/zinc/11/97/02/1076119702.db2.gz FCGREHCSTLQVCW-LIRRHRJNSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCCO[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000727437144 1076119708 /nfs/dbraw/zinc/11/97/08/1076119708.db2.gz FCGREHCSTLQVCW-LIRRHRJNSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCCO[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000727437144 1076119716 /nfs/dbraw/zinc/11/97/16/1076119716.db2.gz FCGREHCSTLQVCW-LIRRHRJNSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCCO[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000727437144 1076119723 /nfs/dbraw/zinc/11/97/23/1076119723.db2.gz FCGREHCSTLQVCW-LIRRHRJNSA-N 1 2 403.479 1.977 20 0 HDADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727497017 1076137946 /nfs/dbraw/zinc/13/79/46/1076137946.db2.gz VMAJGESDYFEKLS-QGZVFWFLSA-N 1 2 423.539 1.087 20 0 HDADLO Cn1ncc2c1nc(CCc1nc(-c3cccc(C[NH+]4CCOCC4)c3)no1)[nH]c2=O ZINC000733738824 1076177649 /nfs/dbraw/zinc/17/76/49/1076177649.db2.gz DQRLCLNJSOVWSJ-UHFFFAOYSA-N 1 2 421.461 1.736 20 0 HDADLO Cn1c2c(nc(Br)n2Cc2[nH+]ccn2CC(F)(F)F)c(=O)n(C)c1=O ZINC000727744235 1076211297 /nfs/dbraw/zinc/21/12/97/1076211297.db2.gz VYKDBBSCMQZNJS-UHFFFAOYSA-N 1 2 421.177 1.003 20 0 HDADLO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000727738159 1076215009 /nfs/dbraw/zinc/21/50/09/1076215009.db2.gz HLHJFMLGFPYGBR-JTQLQIEISA-N 1 2 413.297 1.839 20 0 HDADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000727747278 1076223351 /nfs/dbraw/zinc/22/33/51/1076223351.db2.gz FEBCLGPNVPXMLR-LJQANCHMSA-N 1 2 407.474 1.928 20 0 HDADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1C ZINC000530538722 1076236527 /nfs/dbraw/zinc/23/65/27/1076236527.db2.gz VVLUOYJFYOUEET-QGZVFWFLSA-N 1 2 409.533 1.368 20 0 HDADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1C ZINC000530538722 1076236532 /nfs/dbraw/zinc/23/65/32/1076236532.db2.gz VVLUOYJFYOUEET-QGZVFWFLSA-N 1 2 409.533 1.368 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000533820649 1076244600 /nfs/dbraw/zinc/24/46/00/1076244600.db2.gz VSJUCCHRGAHIFW-SFHVURJKSA-N 1 2 409.533 1.071 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000533820649 1076244606 /nfs/dbraw/zinc/24/46/06/1076244606.db2.gz VSJUCCHRGAHIFW-SFHVURJKSA-N 1 2 409.533 1.071 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)CC1 ZINC001299319150 1076248612 /nfs/dbraw/zinc/24/86/12/1076248612.db2.gz PHXHPWWTKJLKTO-UHFFFAOYSA-N 1 2 421.494 1.613 20 0 HDADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534582629 1076249151 /nfs/dbraw/zinc/24/91/51/1076249151.db2.gz AGQAAHTZGQYISL-LJQANCHMSA-N 1 2 409.490 1.468 20 0 HDADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000534582629 1076249156 /nfs/dbraw/zinc/24/91/56/1076249156.db2.gz AGQAAHTZGQYISL-LJQANCHMSA-N 1 2 409.490 1.468 20 0 HDADLO CN(c1ccccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)S(C)(=O)=O ZINC000535278889 1076251769 /nfs/dbraw/zinc/25/17/69/1076251769.db2.gz YOSBUOOPQFSQKT-QGZVFWFLSA-N 1 2 416.503 1.324 20 0 HDADLO CN(c1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)S(C)(=O)=O ZINC000535278889 1076251771 /nfs/dbraw/zinc/25/17/71/1076251771.db2.gz YOSBUOOPQFSQKT-QGZVFWFLSA-N 1 2 416.503 1.324 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000535312380 1076252744 /nfs/dbraw/zinc/25/27/44/1076252744.db2.gz CVRWYBZCEARBAY-GOSISDBHSA-N 1 2 419.478 1.612 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000535312380 1076252750 /nfs/dbraw/zinc/25/27/50/1076252750.db2.gz CVRWYBZCEARBAY-GOSISDBHSA-N 1 2 419.478 1.612 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000536031182 1076254255 /nfs/dbraw/zinc/25/42/55/1076254255.db2.gz AXCCZMIGVCVXFV-HXUWFJFHSA-N 1 2 422.485 1.400 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000536031182 1076254258 /nfs/dbraw/zinc/25/42/58/1076254258.db2.gz AXCCZMIGVCVXFV-HXUWFJFHSA-N 1 2 422.485 1.400 20 0 HDADLO CC1(CCC(=O)N2CC[C@H]([NH+]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC3)C2)CC1 ZINC001065712896 1076257660 /nfs/dbraw/zinc/25/76/60/1076257660.db2.gz HLQLCQKVVPGJSB-SIFVSHMBSA-N 1 2 401.551 1.735 20 0 HDADLO Cc1cc(N2CCN(C(=O)COC(=O)CCN3CCCC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000727910554 1076281755 /nfs/dbraw/zinc/28/17/55/1076281755.db2.gz BCFGOGFONZAAAA-UHFFFAOYSA-N 1 2 417.510 1.113 20 0 HDADLO CCCN(C(=O)CCn1cc[nH]c(=O)c1=O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733981909 1076282159 /nfs/dbraw/zinc/28/21/59/1076282159.db2.gz OVRPFSHOEAHDCT-UHFFFAOYSA-N 1 2 414.510 1.241 20 0 HDADLO O=C(NCCO)C1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000733995348 1076287271 /nfs/dbraw/zinc/28/72/71/1076287271.db2.gz CSYCGTBYRHPSEM-UHFFFAOYSA-N 1 2 415.313 1.881 20 0 HDADLO COc1ccccc1C[NH+]1CCN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000728050019 1076319646 /nfs/dbraw/zinc/31/96/46/1076319646.db2.gz NBNTWZBVVGLDNF-UHFFFAOYSA-N 1 2 400.479 1.504 20 0 HDADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000728142385 1076342294 /nfs/dbraw/zinc/34/22/94/1076342294.db2.gz MHSNIJWEZBUPDH-UHFFFAOYSA-N 1 2 416.453 1.938 20 0 HDADLO COc1cc(C)c(C[N@H+](C)CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1OC ZINC000024803230 1076346272 /nfs/dbraw/zinc/34/62/72/1076346272.db2.gz URHGPOWKXREPER-UHFFFAOYSA-N 1 2 402.451 1.094 20 0 HDADLO COc1cc(C)c(C[N@@H+](C)CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1OC ZINC000024803230 1076346277 /nfs/dbraw/zinc/34/62/77/1076346277.db2.gz URHGPOWKXREPER-UHFFFAOYSA-N 1 2 402.451 1.094 20 0 HDADLO O=C(CN1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1)NC1CC1 ZINC000025300760 1076351482 /nfs/dbraw/zinc/35/14/82/1076351482.db2.gz TWDQNPPHBSPVIL-QFIPXVFZSA-N 1 2 409.530 1.990 20 0 HDADLO O=C(C[NH+]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1)N1CCCCC1 ZINC000027377471 1076359954 /nfs/dbraw/zinc/35/99/54/1076359954.db2.gz PQHDTGSVTJGLIV-UHFFFAOYSA-N 1 2 403.914 1.478 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=S)NCCN1CCOCC1 ZINC000728178752 1076365681 /nfs/dbraw/zinc/36/56/81/1076365681.db2.gz UJQBWZKJYFHVTD-LJQANCHMSA-N 1 2 406.596 1.416 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000730132754 1076459546 /nfs/dbraw/zinc/45/95/46/1076459546.db2.gz YZMWYOOWNGQJDN-QZTJIDSGSA-N 1 2 411.591 1.911 20 0 HDADLO CCn1c(N)c(C(=O)C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(=O)[nH]c1=O ZINC000730265938 1076506656 /nfs/dbraw/zinc/50/66/56/1076506656.db2.gz FXOZQDFONHDSRL-GFCCVEGCSA-N 1 2 423.514 1.359 20 0 HDADLO CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000730312446 1076527836 /nfs/dbraw/zinc/52/78/36/1076527836.db2.gz PORLBLLZNPEQSZ-OAHLLOKOSA-N 1 2 411.549 1.247 20 0 HDADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730378111 1076552505 /nfs/dbraw/zinc/55/25/05/1076552505.db2.gz IRIOMOCLHIVVQE-ROUUACIJSA-N 1 2 417.506 1.712 20 0 HDADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730378111 1076552512 /nfs/dbraw/zinc/55/25/12/1076552512.db2.gz IRIOMOCLHIVVQE-ROUUACIJSA-N 1 2 417.506 1.712 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)NC(=O)N[C@H]1C ZINC000730570850 1076605617 /nfs/dbraw/zinc/60/56/17/1076605617.db2.gz RNIXKSJBNCGRML-ZDUSSCGKSA-N 1 2 410.515 1.836 20 0 HDADLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571255 1076605709 /nfs/dbraw/zinc/60/57/09/1076605709.db2.gz PGIUCBRCFLLRGQ-CVEARBPZSA-N 1 2 409.556 1.119 20 0 HDADLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571255 1076605713 /nfs/dbraw/zinc/60/57/13/1076605713.db2.gz PGIUCBRCFLLRGQ-CVEARBPZSA-N 1 2 409.556 1.119 20 0 HDADLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000730808611 1076665234 /nfs/dbraw/zinc/66/52/34/1076665234.db2.gz PBMPLHPRNOUHIN-LJQANCHMSA-N 1 2 422.595 1.374 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C3=COCCC3)CC2)cc1OC ZINC000730851156 1076673230 /nfs/dbraw/zinc/67/32/30/1076673230.db2.gz SZXWLYXXTOKMAU-UHFFFAOYSA-N 1 2 418.490 1.894 20 0 HDADLO NS(=O)(=O)c1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)sc1Br ZINC000730832690 1076673919 /nfs/dbraw/zinc/67/39/19/1076673919.db2.gz QGWZHNAEYGWXLC-UHFFFAOYSA-N 1 2 418.294 1.456 20 0 HDADLO NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000731037166 1076716225 /nfs/dbraw/zinc/71/62/25/1076716225.db2.gz FTHMFOUVYQCPRE-HXUWFJFHSA-N 1 2 421.494 1.857 20 0 HDADLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1 ZINC000000970193 527487848 /nfs/dbraw/zinc/48/78/48/527487848.db2.gz NZPAMSHQYRPUFB-DLBZAZTESA-N 1 2 407.522 1.857 20 0 HDADLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)C1 ZINC000000970193 527487855 /nfs/dbraw/zinc/48/78/55/527487855.db2.gz NZPAMSHQYRPUFB-DLBZAZTESA-N 1 2 407.522 1.857 20 0 HDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccnc(Cl)c2)CC3)CC1 ZINC000583615484 560776146 /nfs/dbraw/zinc/77/61/46/560776146.db2.gz YNTDOGFNFFBTES-AWEZNQCLSA-N 1 2 416.913 1.312 20 0 HDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccnc(Cl)c2)CC3)CC1 ZINC000583615485 560776177 /nfs/dbraw/zinc/77/61/77/560776177.db2.gz YNTDOGFNFFBTES-CQSZACIVSA-N 1 2 416.913 1.312 20 0 HDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cc(Cl)ccn2)CC3)CC1 ZINC000328606070 569418282 /nfs/dbraw/zinc/41/82/82/569418282.db2.gz QHBCRZSSUOJMBL-AWEZNQCLSA-N 1 2 416.913 1.312 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(Cl)c(C(=O)OC)n3)CC2)C1=O ZINC001164633709 719274293 /nfs/dbraw/zinc/27/42/93/719274293.db2.gz HCGCYMOKRVVTCX-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(Cl)c(C(=O)OC)n3)CC2)C1=O ZINC001164633709 719274296 /nfs/dbraw/zinc/27/42/96/719274296.db2.gz HCGCYMOKRVVTCX-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164641212 719275343 /nfs/dbraw/zinc/27/53/43/719275343.db2.gz UPLWQJUOAUTGDU-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164641212 719275347 /nfs/dbraw/zinc/27/53/47/719275347.db2.gz UPLWQJUOAUTGDU-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1cc2cc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c2[nH]1 ZINC001164678878 719576345 /nfs/dbraw/zinc/57/63/45/719576345.db2.gz XXPGCHCJLIIHAK-UHFFFAOYSA-N 1 2 411.466 1.184 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(OC)c(NC(C)C)n1 ZINC001164698645 719837553 /nfs/dbraw/zinc/83/75/53/719837553.db2.gz GLDOASKSZIGEBI-YWZLYKJASA-N 1 2 407.515 1.538 20 0 HDADLO CCOC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C ZINC001164702051 719838304 /nfs/dbraw/zinc/83/83/04/719838304.db2.gz NMZDLJUKRYUUFV-IIBYNOLFSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCCC1 ZINC001164702600 719838516 /nfs/dbraw/zinc/83/85/16/719838516.db2.gz OEGCBMLGXYXUHF-VGSWGCGISA-N 1 2 416.522 1.550 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccncc21 ZINC001164699399 719843263 /nfs/dbraw/zinc/84/32/63/719843263.db2.gz IHUGPJJESISYHR-BFUOFWGJSA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OC(C)C)nn1 ZINC001164699325 719845827 /nfs/dbraw/zinc/84/58/27/719845827.db2.gz HJVXNTULGPBAQE-QRWLVFNGSA-N 1 2 406.483 1.275 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ccc(OC)cc2n1 ZINC001164706994 719848494 /nfs/dbraw/zinc/84/84/94/719848494.db2.gz YRCFGLDPUGQHNC-KKSFZXQISA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ncnc(Cl)c2n1 ZINC001164705557 719861486 /nfs/dbraw/zinc/86/14/86/719861486.db2.gz UFMSBUSHZUOXNM-KPZWWZAWSA-N 1 2 406.874 1.306 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NC(C)(C)C)ccn1 ZINC001164707031 719862582 /nfs/dbraw/zinc/86/25/82/719862582.db2.gz ZXFFSDPZSOXQJS-VGSWGCGISA-N 1 2 418.538 1.843 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698409 719862949 /nfs/dbraw/zinc/86/29/49/719862949.db2.gz CAOOBDHLXNLCJN-IERDGZPVSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1nc(C)n2C ZINC001164705022 719866649 /nfs/dbraw/zinc/86/66/49/719866649.db2.gz NBIIIZJXLCQWMV-DJJJIMSYSA-N 1 2 422.917 1.558 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C)no2)ccn1 ZINC001164706227 719870476 /nfs/dbraw/zinc/87/04/76/719870476.db2.gz PDDSNCUVRTZRFI-OXQOHEQNSA-N 1 2 401.467 1.673 20 0 HDADLO CCOC(=O)Cc1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164700784 719879203 /nfs/dbraw/zinc/87/92/03/719879203.db2.gz LLEZPGXCCDYWSJ-LAUBAEHRSA-N 1 2 405.495 1.420 20 0 HDADLO COc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ccc2c1 ZINC001164708676 719902817 /nfs/dbraw/zinc/90/28/17/719902817.db2.gz GNLBZKDNUOZIBW-UHFFFAOYSA-N 1 2 420.517 1.927 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164702840 719927949 /nfs/dbraw/zinc/92/79/49/719927949.db2.gz HJZCXPGQTJMBIJ-UHFFFAOYSA-N 1 2 424.883 1.964 20 0 HDADLO COc1cccc2c1ncnc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164704824 719938943 /nfs/dbraw/zinc/93/89/43/719938943.db2.gz SZGHAMLRIPVPNL-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164718841 720213201 /nfs/dbraw/zinc/21/32/01/720213201.db2.gz NEICOLLFJTXBJI-QGZVFWFLSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164718841 720213204 /nfs/dbraw/zinc/21/32/04/720213204.db2.gz NEICOLLFJTXBJI-QGZVFWFLSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164720445 720255390 /nfs/dbraw/zinc/25/53/90/720255390.db2.gz WAEHVJWOXBAHAP-HXUWFJFHSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164720445 720255394 /nfs/dbraw/zinc/25/53/94/720255394.db2.gz WAEHVJWOXBAHAP-HXUWFJFHSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C(=O)OC(C)(C)C)n3)C2)C1 ZINC001164720305 720260427 /nfs/dbraw/zinc/26/04/27/720260427.db2.gz UKFDEXCOFZNGIF-OAQYLSRUSA-N 1 2 419.526 1.097 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C(=O)OC(C)(C)C)n3)C2)C1 ZINC001164720305 720260434 /nfs/dbraw/zinc/26/04/34/720260434.db2.gz UKFDEXCOFZNGIF-OAQYLSRUSA-N 1 2 419.526 1.097 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164718274 720261062 /nfs/dbraw/zinc/26/10/62/720261062.db2.gz DEHKXJZGYBHDSM-HXUWFJFHSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164718274 720261066 /nfs/dbraw/zinc/26/10/66/720261066.db2.gz DEHKXJZGYBHDSM-HXUWFJFHSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)OC(C)C)C2)C1 ZINC001164724632 720302339 /nfs/dbraw/zinc/30/23/39/720302339.db2.gz SNYFYJZDPIQNIN-NRFANRHFSA-N 1 2 404.511 1.312 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C(=O)OC(C)C)C2)C1 ZINC001164724632 720302348 /nfs/dbraw/zinc/30/23/48/720302348.db2.gz SNYFYJZDPIQNIN-NRFANRHFSA-N 1 2 404.511 1.312 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3ccccc3n1)C2 ZINC001164822001 720427961 /nfs/dbraw/zinc/42/79/61/720427961.db2.gz AEWBVFNKNUWLIV-SFHVURJKSA-N 1 2 408.506 1.816 20 0 HDADLO COC(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824009 720436048 /nfs/dbraw/zinc/43/60/48/720436048.db2.gz KUJYLCHDEXXDLF-INIZCTEOSA-N 1 2 415.494 1.054 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(Cl)[n+]1[O-])C2 ZINC001164821979 720445708 /nfs/dbraw/zinc/44/57/08/720445708.db2.gz BNVXVLDAJIGPHW-OAHLLOKOSA-N 1 2 407.902 1.160 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(N)cc(Cl)n1)C2 ZINC001164823449 720445891 /nfs/dbraw/zinc/44/58/91/720445891.db2.gz KBIQXMFJMDHOOF-AWEZNQCLSA-N 1 2 406.918 1.503 20 0 HDADLO CSc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164829302 720471304 /nfs/dbraw/zinc/47/13/04/720471304.db2.gz FJHDSDXSYGVCPG-HNNXBMFYSA-N 1 2 404.540 1.385 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(C)(C)C)nn1)C2 ZINC001164829259 720472742 /nfs/dbraw/zinc/47/27/42/720472742.db2.gz DYTHRWXXRUACSW-QGZVFWFLSA-N 1 2 414.554 1.960 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cl)c(N)n1)C2 ZINC001164834816 720483120 /nfs/dbraw/zinc/48/31/20/720483120.db2.gz VKABJUGLXBYOPA-CQSZACIVSA-N 1 2 406.918 1.503 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164858737 720896674 /nfs/dbraw/zinc/89/66/74/720896674.db2.gz OHDNFUZSLXSFIB-UHFFFAOYSA-N 1 2 422.823 1.730 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ccc4S(C)(=O)=O)C[C@@H]3C2)cn1 ZINC001164766923 721186975 /nfs/dbraw/zinc/18/69/75/721186975.db2.gz JPHRODQYAISSTM-GJZGRUSLSA-N 1 2 409.943 1.830 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ccc4S(C)(=O)=O)C[C@@H]3C2)cn1 ZINC001164766923 721186977 /nfs/dbraw/zinc/18/69/77/721186977.db2.gz JPHRODQYAISSTM-GJZGRUSLSA-N 1 2 409.943 1.830 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(N5CCCCC5)nn4)CCO3)C2)c1 ZINC001164911920 721767586 /nfs/dbraw/zinc/76/75/86/721767586.db2.gz IIBSBHCQDJXHTK-QHCPKHFHSA-N 1 2 424.549 1.970 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(N5CCCCC5)nn4)CCO3)C2)c1 ZINC001164911920 721767593 /nfs/dbraw/zinc/76/75/93/721767593.db2.gz IIBSBHCQDJXHTK-QHCPKHFHSA-N 1 2 424.549 1.970 20 0 HDADLO COc1cnc(SC)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913315 721771033 /nfs/dbraw/zinc/77/10/33/721771033.db2.gz WHILVPHOQIQGTJ-HXUWFJFHSA-N 1 2 417.535 1.710 20 0 HDADLO COc1cnc(SC)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913315 721771037 /nfs/dbraw/zinc/77/10/37/721771037.db2.gz WHILVPHOQIQGTJ-HXUWFJFHSA-N 1 2 417.535 1.710 20 0 HDADLO COc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912789 721776458 /nfs/dbraw/zinc/77/64/58/721776458.db2.gz PWOBHTBWZXRCJA-SFHVURJKSA-N 1 2 406.874 1.036 20 0 HDADLO COc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912789 721776465 /nfs/dbraw/zinc/77/64/65/721776465.db2.gz PWOBHTBWZXRCJA-SFHVURJKSA-N 1 2 406.874 1.036 20 0 HDADLO C[C@H]1CC(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915212 721784471 /nfs/dbraw/zinc/78/44/71/721784471.db2.gz KJXJDICGEBACOD-AOMKIAJQSA-N 1 2 424.505 1.425 20 0 HDADLO C[C@H]1CC(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915212 721784473 /nfs/dbraw/zinc/78/44/73/721784473.db2.gz KJXJDICGEBACOD-AOMKIAJQSA-N 1 2 424.505 1.425 20 0 HDADLO CC(=O)Nc1c(C)ccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916744 721791808 /nfs/dbraw/zinc/79/18/08/721791808.db2.gz SYXVYGKCECTTNP-QFIPXVFZSA-N 1 2 411.506 1.851 20 0 HDADLO CC(=O)Nc1c(C)ccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916744 721791810 /nfs/dbraw/zinc/79/18/10/721791810.db2.gz SYXVYGKCECTTNP-QFIPXVFZSA-N 1 2 411.506 1.851 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1 ZINC001164916234 721813821 /nfs/dbraw/zinc/81/38/21/721813821.db2.gz BIJXOGCODNVOSW-UHFFFAOYSA-N 1 2 418.933 1.308 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2S(=O)(=O)CC3)CC1 ZINC001164918491 721821800 /nfs/dbraw/zinc/82/18/00/721821800.db2.gz DZENZWGAHDXBAC-UHFFFAOYSA-N 1 2 422.942 1.406 20 0 HDADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N(C)C)[nH+]cn4)CCO3)C2)cs1 ZINC001164918187 721822778 /nfs/dbraw/zinc/82/27/78/721822778.db2.gz CRJCJNMMRIGPHP-LJQANCHMSA-N 1 2 404.540 1.415 20 0 HDADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N(C)C)nc[nH+]4)CCO3)C2)cs1 ZINC001164918187 721822780 /nfs/dbraw/zinc/82/27/80/721822780.db2.gz CRJCJNMMRIGPHP-LJQANCHMSA-N 1 2 404.540 1.415 20 0 HDADLO COc1cc(OC)nc(CN2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)n1 ZINC001165030624 721850989 /nfs/dbraw/zinc/85/09/89/721850989.db2.gz SPVLTFXXTUVLMO-UHFFFAOYSA-N 1 2 417.539 1.159 20 0 HDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165040167 721915734 /nfs/dbraw/zinc/91/57/34/721915734.db2.gz ZBPZWUNHRPGPLE-LLVKDONJSA-N 1 2 410.874 1.228 20 0 HDADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045483 721958997 /nfs/dbraw/zinc/95/89/97/721958997.db2.gz VKPZAWUUOGTOFF-GDLZYMKVSA-N 1 2 418.519 1.592 20 0 HDADLO CN(C)c1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2nc[nH]c21 ZINC001164947055 721975732 /nfs/dbraw/zinc/97/57/32/721975732.db2.gz NKYOMUILLOXIKQ-UHFFFAOYSA-N 1 2 420.521 1.390 20 0 HDADLO CN(C)c1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2nc[nH]c21 ZINC001164947055 721975734 /nfs/dbraw/zinc/97/57/34/721975734.db2.gz NKYOMUILLOXIKQ-UHFFFAOYSA-N 1 2 420.521 1.390 20 0 HDADLO Cc1cn(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)cn1 ZINC001164947092 721976212 /nfs/dbraw/zinc/97/62/12/721976212.db2.gz NTIGCFYEFQALQZ-UHFFFAOYSA-N 1 2 417.517 1.942 20 0 HDADLO Cc1cn(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)cn1 ZINC001164947092 721976214 /nfs/dbraw/zinc/97/62/14/721976214.db2.gz NTIGCFYEFQALQZ-UHFFFAOYSA-N 1 2 417.517 1.942 20 0 HDADLO CCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946772 721976558 /nfs/dbraw/zinc/97/65/58/721976558.db2.gz KVJOJMCMMXPZFZ-UHFFFAOYSA-N 1 2 407.518 1.802 20 0 HDADLO CCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946772 721976560 /nfs/dbraw/zinc/97/65/60/721976560.db2.gz KVJOJMCMMXPZFZ-UHFFFAOYSA-N 1 2 407.518 1.802 20 0 HDADLO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1[nH+]ccc3c1NC(=O)CO3)C2 ZINC001165006927 722265022 /nfs/dbraw/zinc/26/50/22/722265022.db2.gz OMUOSBOZJVBSNR-NRFANRHFSA-N 1 2 411.437 1.479 20 0 HDADLO C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1(=O)=O ZINC000429046566 1073466078 /nfs/dbraw/zinc/46/60/78/1073466078.db2.gz VISYFVGWFTXEAV-MJGOQNOKSA-N 1 2 409.552 1.496 20 0 HDADLO C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1(=O)=O ZINC000429046566 1073466090 /nfs/dbraw/zinc/46/60/90/1073466090.db2.gz VISYFVGWFTXEAV-MJGOQNOKSA-N 1 2 409.552 1.496 20 0 HDADLO CCOC1CC(CNC(=O)NCCc2ccc(OC)cc2OC)([NH+]2CCOCC2)C1 ZINC000429104076 1073588838 /nfs/dbraw/zinc/58/88/38/1073588838.db2.gz NDFIYJLUELBVEX-UHFFFAOYSA-N 1 2 421.538 1.815 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccn1 ZINC000509123079 1073601891 /nfs/dbraw/zinc/60/18/91/1073601891.db2.gz FWNMQLLQQNHAAQ-QFIPXVFZSA-N 1 2 416.522 1.311 20 0 HDADLO O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673672476 1073626679 /nfs/dbraw/zinc/62/66/79/1073626679.db2.gz ICOQYMUFYQWJDW-YADHBBJMSA-N 1 2 400.567 1.564 20 0 HDADLO O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673672476 1073626687 /nfs/dbraw/zinc/62/66/87/1073626687.db2.gz ICOQYMUFYQWJDW-YADHBBJMSA-N 1 2 400.567 1.564 20 0 HDADLO COc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)cc1 ZINC000673673002 1073628172 /nfs/dbraw/zinc/62/81/72/1073628172.db2.gz ORXGKURRYWXLFC-NHCUHLMSSA-N 1 2 408.502 1.972 20 0 HDADLO COc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2=O)cc1 ZINC000673673002 1073628175 /nfs/dbraw/zinc/62/81/75/1073628175.db2.gz ORXGKURRYWXLFC-NHCUHLMSSA-N 1 2 408.502 1.972 20 0 HDADLO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)CC2 ZINC000673673493 1073628775 /nfs/dbraw/zinc/62/87/75/1073628775.db2.gz VRBQQTCJOBXYBK-LJQANCHMSA-N 1 2 414.531 1.886 20 0 HDADLO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)CC2 ZINC000673673493 1073628778 /nfs/dbraw/zinc/62/87/78/1073628778.db2.gz VRBQQTCJOBXYBK-LJQANCHMSA-N 1 2 414.531 1.886 20 0 HDADLO Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000673738629 1073670536 /nfs/dbraw/zinc/67/05/36/1073670536.db2.gz FGDRSBDNWSFBBU-UHFFFAOYSA-N 1 2 411.432 1.859 20 0 HDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429116794 1073680084 /nfs/dbraw/zinc/68/00/84/1073680084.db2.gz SFTMZZDWUQJRLV-MRXNPFEDSA-N 1 2 404.511 1.780 20 0 HDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429116794 1073680094 /nfs/dbraw/zinc/68/00/94/1073680094.db2.gz SFTMZZDWUQJRLV-MRXNPFEDSA-N 1 2 404.511 1.780 20 0 HDADLO CN1C[C@H](CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)Cc2ccccc21 ZINC000429121693 1073691241 /nfs/dbraw/zinc/69/12/41/1073691241.db2.gz HMSGRWYAIMSRQH-UWJYYQICSA-N 1 2 404.580 1.802 20 0 HDADLO CN1C[C@@H](CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)Cc2ccccc21 ZINC000429121692 1073691313 /nfs/dbraw/zinc/69/13/13/1073691313.db2.gz HMSGRWYAIMSRQH-UTKZUKDTSA-N 1 2 404.580 1.802 20 0 HDADLO CC[C@H](C)[C@H](NC(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126856 1073705780 /nfs/dbraw/zinc/70/57/80/1073705780.db2.gz KWIVDBGAABYWRC-LIRRHRJNSA-N 1 2 424.567 1.660 20 0 HDADLO CC[C@H](C)[C@H](NC(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126856 1073705790 /nfs/dbraw/zinc/70/57/90/1073705790.db2.gz KWIVDBGAABYWRC-LIRRHRJNSA-N 1 2 424.567 1.660 20 0 HDADLO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781630 1073715655 /nfs/dbraw/zinc/71/56/55/1073715655.db2.gz BUUWRBXBBSINJG-CYBMUJFWSA-N 1 2 414.275 1.850 20 0 HDADLO O=C(Nc1cccc(Cl)c1-n1cccn1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783572 1073721612 /nfs/dbraw/zinc/72/16/12/1073721612.db2.gz FXNGILWOASYWTI-HNNXBMFYSA-N 1 2 417.897 1.787 20 0 HDADLO O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784528 1073723704 /nfs/dbraw/zinc/72/37/04/1073723704.db2.gz ZYXRPBSLWWGULV-SFHVURJKSA-N 1 2 424.505 1.611 20 0 HDADLO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784395 1073724416 /nfs/dbraw/zinc/72/44/16/1073724416.db2.gz JSDPZVQOMSKRKW-SFHVURJKSA-N 1 2 414.506 1.149 20 0 HDADLO CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673785573 1073727043 /nfs/dbraw/zinc/72/70/43/1073727043.db2.gz TYJKBFICMMRQBD-OAHLLOKOSA-N 1 2 422.913 1.950 20 0 HDADLO CC(C)n1ncc2cc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cnc21 ZINC000673785592 1073727591 /nfs/dbraw/zinc/72/75/91/1073727591.db2.gz UPVWTSVRZRIVCU-KRWDZBQOSA-N 1 2 400.483 1.274 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429133297 1073728336 /nfs/dbraw/zinc/72/83/36/1073728336.db2.gz YLDMTFGZJDLXNW-KRWDZBQOSA-N 1 2 417.554 1.695 20 0 HDADLO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785783 1073730526 /nfs/dbraw/zinc/73/05/26/1073730526.db2.gz ZJNLBTCQNHOWIA-LBPRGKRZSA-N 1 2 402.373 1.068 20 0 HDADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC(OCc2ccccc2)C1 ZINC000673801403 1073749664 /nfs/dbraw/zinc/74/96/64/1073749664.db2.gz XEHMOAKBEYEYOL-GPJFCIFZSA-N 1 2 401.507 1.031 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)N[C@H](c3nncn3C)C(C)C)CC2)c1 ZINC000509148355 1073750943 /nfs/dbraw/zinc/75/09/43/1073750943.db2.gz AQWGNMMGBPSMFQ-IBGZPJMESA-N 1 2 416.526 1.927 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)Cn3nc(-c4ccccc4)oc3=O)c2)CC1 ZINC000057054367 1073786288 /nfs/dbraw/zinc/78/62/88/1073786288.db2.gz JZLAEMFMZUJHDJ-UHFFFAOYSA-N 1 2 407.474 1.889 20 0 HDADLO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000673855450 1073822915 /nfs/dbraw/zinc/82/29/15/1073822915.db2.gz SJLADJLNYLRFKV-VQTJNVASSA-N 1 2 401.507 1.081 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000673916287 1073887717 /nfs/dbraw/zinc/88/77/17/1073887717.db2.gz WZWYWKPZJBTOSM-KRWDZBQOSA-N 1 2 400.401 1.605 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c([C@H]3CCOC3)nnc2N(C)CCOC)nc[nH+]1 ZINC001299289728 1073933636 /nfs/dbraw/zinc/93/36/36/1073933636.db2.gz BRZMFFHDANIYRU-HOTGVXAUSA-N 1 2 416.530 1.365 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c([C@H]3CCOC3)nnc2N(C)CCOC)[nH+]cn1 ZINC001299289728 1073933639 /nfs/dbraw/zinc/93/36/39/1073933639.db2.gz BRZMFFHDANIYRU-HOTGVXAUSA-N 1 2 416.530 1.365 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030542099 1073939140 /nfs/dbraw/zinc/93/91/40/1073939140.db2.gz HHNUAGHLCJZYIP-ZDUSSCGKSA-N 1 2 412.537 1.364 20 0 HDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000429176127 1073952617 /nfs/dbraw/zinc/95/26/17/1073952617.db2.gz WKQYQUWWKGFLGN-BRWVUGGUSA-N 1 2 401.429 1.985 20 0 HDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000429176127 1073952620 /nfs/dbraw/zinc/95/26/20/1073952620.db2.gz WKQYQUWWKGFLGN-BRWVUGGUSA-N 1 2 401.429 1.985 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429180737 1073972707 /nfs/dbraw/zinc/97/27/07/1073972707.db2.gz KNYIFFVTVSKGEO-TUNNFDKTSA-N 1 2 423.529 1.234 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001005046438 1073984872 /nfs/dbraw/zinc/98/48/72/1073984872.db2.gz JWGDSZIDGSVJTF-NKPKVQEGSA-N 1 2 410.474 1.476 20 0 HDADLO C[C@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000543542024 1074050002 /nfs/dbraw/zinc/05/00/02/1074050002.db2.gz HVKGTENGCVWAJJ-KRWDZBQOSA-N 1 2 406.490 1.822 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000674023357 1074081759 /nfs/dbraw/zinc/08/17/59/1074081759.db2.gz IQHQQZFYYVHDFJ-OAHLLOKOSA-N 1 2 408.973 1.860 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000674023295 1074082010 /nfs/dbraw/zinc/08/20/10/1074082010.db2.gz IFZXSWJPXDHGST-MRXNPFEDSA-N 1 2 416.565 1.141 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000674025683 1074086109 /nfs/dbraw/zinc/08/61/09/1074086109.db2.gz VMJWLOZKXSKQBU-SFHVURJKSA-N 1 2 414.593 1.695 20 0 HDADLO COc1ccc([C@@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)[NH+](C)C)cc1OC ZINC000674027746 1074093639 /nfs/dbraw/zinc/09/36/39/1074093639.db2.gz VYMGRZBOCVGABQ-CQSZACIVSA-N 1 2 401.529 1.429 20 0 HDADLO COc1ccccc1C(=O)N1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000164725615 1074160387 /nfs/dbraw/zinc/16/03/87/1074160387.db2.gz GOHLICXDOCBCJZ-INIZCTEOSA-N 1 2 414.458 1.622 20 0 HDADLO CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000674202858 1074217504 /nfs/dbraw/zinc/21/75/04/1074217504.db2.gz XBRJLLVNDXDKPT-GFCCVEGCSA-N 1 2 412.418 1.367 20 0 HDADLO O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202741 1074218083 /nfs/dbraw/zinc/21/80/83/1074218083.db2.gz DIZNJYJNLRZZOV-MRXNPFEDSA-N 1 2 413.869 1.979 20 0 HDADLO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000674261970 1074244191 /nfs/dbraw/zinc/24/41/91/1074244191.db2.gz LQUPTXISNCKLGF-QGZVFWFLSA-N 1 2 411.458 1.827 20 0 HDADLO CNC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000674261970 1074244197 /nfs/dbraw/zinc/24/41/97/1074244197.db2.gz LQUPTXISNCKLGF-QGZVFWFLSA-N 1 2 411.458 1.827 20 0 HDADLO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674269757 1074250182 /nfs/dbraw/zinc/25/01/82/1074250182.db2.gz BRNTZEIULGTGEL-MRXNPFEDSA-N 1 2 413.478 1.786 20 0 HDADLO CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Cc1nnc2ccccn21 ZINC000674305747 1074261123 /nfs/dbraw/zinc/26/11/23/1074261123.db2.gz XYXLOBVEYHAZPB-UHFFFAOYSA-N 1 2 420.517 1.440 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000038431473 1074264598 /nfs/dbraw/zinc/26/45/98/1074264598.db2.gz JAWDNCJMLKITGT-IBGZPJMESA-N 1 2 417.531 1.568 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000038431473 1074264600 /nfs/dbraw/zinc/26/46/00/1074264600.db2.gz JAWDNCJMLKITGT-IBGZPJMESA-N 1 2 417.531 1.568 20 0 HDADLO COC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000038530508 1074284371 /nfs/dbraw/zinc/28/43/71/1074284371.db2.gz GXYUKIFQOIYPHC-UHFFFAOYSA-N 1 2 411.462 1.062 20 0 HDADLO COC(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000038530508 1074284378 /nfs/dbraw/zinc/28/43/78/1074284378.db2.gz GXYUKIFQOIYPHC-UHFFFAOYSA-N 1 2 411.462 1.062 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000674400688 1074308586 /nfs/dbraw/zinc/30/85/86/1074308586.db2.gz MXZCEMZHRXIZJG-MOPGFXCFSA-N 1 2 401.511 1.038 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000674396636 1074310698 /nfs/dbraw/zinc/31/06/98/1074310698.db2.gz UPBCWSSLIZFIGK-DOTOQJQBSA-N 1 2 412.481 1.126 20 0 HDADLO CCn1cc(NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)ccc1=O ZINC000140726762 1074316275 /nfs/dbraw/zinc/31/62/75/1074316275.db2.gz UCSOUJLTYUCCCK-UHFFFAOYSA-N 1 2 400.479 1.901 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(Cc3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674469309 1074366299 /nfs/dbraw/zinc/36/62/99/1074366299.db2.gz YXCINJGWZLOHCN-GOSISDBHSA-N 1 2 400.479 1.155 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(Cc3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674469309 1074366306 /nfs/dbraw/zinc/36/63/06/1074366306.db2.gz YXCINJGWZLOHCN-GOSISDBHSA-N 1 2 400.479 1.155 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@H](C)c3ccc(Br)cc3)CCN2C1=O ZINC000674469212 1074367335 /nfs/dbraw/zinc/36/73/35/1074367335.db2.gz CMNXFMXMPHBNKB-DOMZBBRYSA-N 1 2 423.311 1.595 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@H](C)c3ccc(Br)cc3)CCN2C1=O ZINC000674469212 1074367341 /nfs/dbraw/zinc/36/73/41/1074367341.db2.gz CMNXFMXMPHBNKB-DOMZBBRYSA-N 1 2 423.311 1.595 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCCO[C@H](C)c3ccccc3)CCN2C1=O ZINC000674470553 1074369471 /nfs/dbraw/zinc/36/94/71/1074369471.db2.gz YKVLBBMVZRMVJL-AEFFLSMTSA-N 1 2 402.495 1.239 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCCO[C@H](C)c3ccccc3)CCN2C1=O ZINC000674470553 1074369477 /nfs/dbraw/zinc/36/94/77/1074369477.db2.gz YKVLBBMVZRMVJL-AEFFLSMTSA-N 1 2 402.495 1.239 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CCN3c4cccc5cccc(c45)S3(=O)=O)CCN2C1=O ZINC000674501247 1074393846 /nfs/dbraw/zinc/39/38/46/1074393846.db2.gz IXAJTQHTZUOBJG-MRXNPFEDSA-N 1 2 414.487 1.317 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CCN3c4cccc5cccc(c45)S3(=O)=O)CCN2C1=O ZINC000674501247 1074393862 /nfs/dbraw/zinc/39/38/62/1074393862.db2.gz IXAJTQHTZUOBJG-MRXNPFEDSA-N 1 2 414.487 1.317 20 0 HDADLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000674495175 1074404706 /nfs/dbraw/zinc/40/47/06/1074404706.db2.gz DCCYUYGTMGDFSL-HUUCEWRRSA-N 1 2 413.540 1.237 20 0 HDADLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000674495175 1074404709 /nfs/dbraw/zinc/40/47/09/1074404709.db2.gz DCCYUYGTMGDFSL-HUUCEWRRSA-N 1 2 413.540 1.237 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)[nH+]c12 ZINC000674584130 1074464618 /nfs/dbraw/zinc/46/46/18/1074464618.db2.gz BJZARVVNIIOBGM-UHFFFAOYSA-N 1 2 411.437 1.781 20 0 HDADLO CC(C)[C@@H](C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509232136 1074479981 /nfs/dbraw/zinc/47/99/81/1074479981.db2.gz IXLQGRDNEBCOEV-QKLQHJQFSA-N 1 2 423.579 1.994 20 0 HDADLO CC(C)[C@@H](C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509232136 1074479988 /nfs/dbraw/zinc/47/99/88/1074479988.db2.gz IXLQGRDNEBCOEV-QKLQHJQFSA-N 1 2 423.579 1.994 20 0 HDADLO CN(CCN1CCCS1(=O)=O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674635816 1074491000 /nfs/dbraw/zinc/49/10/00/1074491000.db2.gz MFTZKUPZJCZFKU-KRWDZBQOSA-N 1 2 405.524 1.381 20 0 HDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 ZINC001128800319 1074540729 /nfs/dbraw/zinc/54/07/29/1074540729.db2.gz KUHPSOPQTVLWAD-JKSUJKDBSA-N 1 2 422.530 1.128 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN(C)Cc3cn[nH]c3)CC2)cc1OC ZINC000674752792 1074548026 /nfs/dbraw/zinc/54/80/26/1074548026.db2.gz KHKFDGFHXCXOMH-UHFFFAOYSA-N 1 2 401.511 1.512 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000674764280 1074557924 /nfs/dbraw/zinc/55/79/24/1074557924.db2.gz UVFHXNGYIUPIQJ-KRWDZBQOSA-N 1 2 410.478 1.692 20 0 HDADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)c(=O)n(C)c1=O ZINC000674869355 1074596653 /nfs/dbraw/zinc/59/66/53/1074596653.db2.gz XMSVNUCVGFHAAL-ZDUSSCGKSA-N 1 2 421.295 1.449 20 0 HDADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2Br)c(=O)n(C)c1=O ZINC000674869355 1074596659 /nfs/dbraw/zinc/59/66/59/1074596659.db2.gz XMSVNUCVGFHAAL-ZDUSSCGKSA-N 1 2 421.295 1.449 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc(I)cn2)CC1 ZINC000766077977 1074597461 /nfs/dbraw/zinc/59/74/61/1074597461.db2.gz RSPVWSHNYMZBRV-UHFFFAOYSA-N 1 2 410.281 1.002 20 0 HDADLO O=C(CN1CCO[C@H]([C@@H]2CCCO2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000674913631 1074618816 /nfs/dbraw/zinc/61/88/16/1074618816.db2.gz GEAXVAXCRDKAEN-SFTDATJTSA-N 1 2 403.523 1.015 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1)[NH+]1CCOCC1 ZINC000674996781 1074672457 /nfs/dbraw/zinc/67/24/57/1074672457.db2.gz KLHXNGXPVCKCKO-UXPWSPDFSA-N 1 2 417.506 1.425 20 0 HDADLO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000766087710 1074676282 /nfs/dbraw/zinc/67/62/82/1074676282.db2.gz TUYAZUAMOJFQGL-BEFAXECRSA-N 1 2 405.474 1.988 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)c1)[NH+]1CCOCC1 ZINC000675007177 1074688909 /nfs/dbraw/zinc/68/89/09/1074688909.db2.gz FFDNKNJRGGNRTF-QGZVFWFLSA-N 1 2 419.522 1.408 20 0 HDADLO CCn1c(N)c(C(=O)C[N@H+](CCc2ccccc2)Cc2cccnc2)c(=O)[nH]c1=O ZINC000429316971 1074717451 /nfs/dbraw/zinc/71/74/51/1074717451.db2.gz MVNJOAUEBAZWPO-UHFFFAOYSA-N 1 2 407.474 1.874 20 0 HDADLO CCn1c(N)c(C(=O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)c(=O)[nH]c1=O ZINC000429316971 1074717458 /nfs/dbraw/zinc/71/74/58/1074717458.db2.gz MVNJOAUEBAZWPO-UHFFFAOYSA-N 1 2 407.474 1.874 20 0 HDADLO C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(=O)N1CCCC[C@@H]1C ZINC000543614523 1074724414 /nfs/dbraw/zinc/72/44/14/1074724414.db2.gz FRCKTODANCXXLK-JKSUJKDBSA-N 1 2 416.526 1.380 20 0 HDADLO C[C@@H]1CN(CCNc2nc3ncccc3nc2NCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000675151003 1074737568 /nfs/dbraw/zinc/73/75/68/1074737568.db2.gz YHGSTHMBGXSFFK-DLBZAZTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1CN(CCNc2nc3ncccc3nc2NCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000675151003 1074737575 /nfs/dbraw/zinc/73/75/75/1074737575.db2.gz YHGSTHMBGXSFFK-DLBZAZTESA-N 1 2 415.542 1.290 20 0 HDADLO Cc1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)nn1-c1ccc(F)cc1F ZINC000565384790 1074745148 /nfs/dbraw/zinc/74/51/48/1074745148.db2.gz FJBDLLKDIONMKG-UHFFFAOYSA-N 1 2 414.416 2.411 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)NCCN3CCC([NH+](C)C)CC3)s[nH]2)c1 ZINC000543616629 1074758144 /nfs/dbraw/zinc/75/81/44/1074758144.db2.gz LUHDFZINIJWPBH-UHFFFAOYSA-N 1 2 404.540 1.783 20 0 HDADLO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219102 1074759759 /nfs/dbraw/zinc/75/97/59/1074759759.db2.gz YVOPYUKLGSGORE-CABCVRRESA-N 1 2 422.323 1.735 20 0 HDADLO O=C(c1ccco1)N1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218982 1074760229 /nfs/dbraw/zinc/76/02/29/1074760229.db2.gz PXZSYNDJZFNTRI-PMACEKPBSA-N 1 2 409.486 1.780 20 0 HDADLO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000675218793 1074760494 /nfs/dbraw/zinc/76/04/94/1074760494.db2.gz AYTAUAJYVOOYHC-HKUYNNGSSA-N 1 2 421.563 1.796 20 0 HDADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218634 1074761060 /nfs/dbraw/zinc/76/10/60/1074761060.db2.gz RQJPMVJSGJFYSM-NEPJUHHUSA-N 1 2 416.341 1.562 20 0 HDADLO O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219966 1074761859 /nfs/dbraw/zinc/76/18/59/1074761859.db2.gz UPHVZJFCGHEMJI-RHSMWYFYSA-N 1 2 422.323 1.735 20 0 HDADLO CCOc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1OCC ZINC000675219937 1074761877 /nfs/dbraw/zinc/76/18/77/1074761877.db2.gz UATQZJWNTIXUKB-KRWDZBQOSA-N 1 2 405.495 1.147 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675219435 1074762413 /nfs/dbraw/zinc/76/24/13/1074762413.db2.gz VHBQXLKZOJHZAY-MJGOQNOKSA-N 1 2 407.536 1.081 20 0 HDADLO O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219472 1074762689 /nfs/dbraw/zinc/76/26/89/1074762689.db2.gz BZILKCASKVUOEV-ROUUACIJSA-N 1 2 407.536 1.020 20 0 HDADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000675258943 1074780199 /nfs/dbraw/zinc/78/01/99/1074780199.db2.gz QJBHPFBYJBCCIE-NUEKZKHPSA-N 1 2 406.512 1.863 20 0 HDADLO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 ZINC000506282097 1074783895 /nfs/dbraw/zinc/78/38/95/1074783895.db2.gz QQJIDDOIDLWJIZ-INIZCTEOSA-N 1 2 416.478 1.680 20 0 HDADLO CCOc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000675282092 1074786048 /nfs/dbraw/zinc/78/60/48/1074786048.db2.gz ZZVHDYBEKPUAAE-AZUAARDMSA-N 1 2 403.523 1.773 20 0 HDADLO CNC(=O)COc1cccc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000509319327 1074793935 /nfs/dbraw/zinc/79/39/35/1074793935.db2.gz AXJFZIPTUJSQCJ-UHFFFAOYSA-N 1 2 407.430 1.252 20 0 HDADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000498632464 1074798458 /nfs/dbraw/zinc/79/84/58/1074798458.db2.gz BNVNNJYCBVBIGR-FQEVSTJZSA-N 1 2 419.485 1.828 20 0 HDADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000498632464 1074798470 /nfs/dbraw/zinc/79/84/70/1074798470.db2.gz BNVNNJYCBVBIGR-FQEVSTJZSA-N 1 2 419.485 1.828 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000429330144 1074810697 /nfs/dbraw/zinc/81/06/97/1074810697.db2.gz BVENTFSDPRXFED-ZDUSSCGKSA-N 1 2 415.416 1.759 20 0 HDADLO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000675397760 1075124214 /nfs/dbraw/zinc/12/42/14/1075124214.db2.gz RCDHKTQZGPTGIT-MJGOQNOKSA-N 1 2 411.506 1.754 20 0 HDADLO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675405918 1075130605 /nfs/dbraw/zinc/13/06/05/1075130605.db2.gz VOWXYHHXRBAGCM-OAHLLOKOSA-N 1 2 408.455 1.369 20 0 HDADLO O=C(C[NH+]1CCC(c2nnc3n2CCC3)CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000675488457 1075174347 /nfs/dbraw/zinc/17/43/47/1075174347.db2.gz KPZMPIMRBMUFMZ-UHFFFAOYSA-N 1 2 411.445 1.157 20 0 HDADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000509249478 1075176694 /nfs/dbraw/zinc/17/66/94/1075176694.db2.gz RBHPFRBXVLCXMX-UGUYLWEFSA-N 1 2 405.561 1.946 20 0 HDADLO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000509249478 1075176696 /nfs/dbraw/zinc/17/66/96/1075176696.db2.gz RBHPFRBXVLCXMX-UGUYLWEFSA-N 1 2 405.561 1.946 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000675519504 1075184962 /nfs/dbraw/zinc/18/49/62/1075184962.db2.gz HNTFSKXPYBSMCQ-KVSKMBFKSA-N 1 2 414.506 1.087 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000438312757 1075186206 /nfs/dbraw/zinc/18/62/06/1075186206.db2.gz CFKIYZZIGFDFDE-UHFFFAOYSA-N 1 2 421.505 2.413 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488490581 1075187076 /nfs/dbraw/zinc/18/70/76/1075187076.db2.gz QWTJDRFEZAYQJI-MRXNPFEDSA-N 1 2 418.473 1.825 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443933948 1075187202 /nfs/dbraw/zinc/18/72/02/1075187202.db2.gz BFBGGPYWUOKXAC-MRXNPFEDSA-N 1 2 419.913 2.554 20 0 HDADLO CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](C)c1ccc(F)cc1 ZINC000448497892 1075187677 /nfs/dbraw/zinc/18/76/77/1075187677.db2.gz XNJBVXXTTFSEDH-INIZCTEOSA-N 1 2 417.485 1.903 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000554474505 1075188570 /nfs/dbraw/zinc/18/85/70/1075188570.db2.gz CYLACKZKDAUXIT-KRWDZBQOSA-N 1 2 407.902 2.114 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)ccc(Br)c1F ZINC000469397334 1075190468 /nfs/dbraw/zinc/19/04/68/1075190468.db2.gz JISHSCUVTIOXQK-UHFFFAOYSA-N 1 2 415.238 2.508 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000464420418 1075191760 /nfs/dbraw/zinc/19/17/60/1075191760.db2.gz YEZHPIVYMAGRDK-UHFFFAOYSA-N 1 2 402.405 1.932 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000471978556 1075196418 /nfs/dbraw/zinc/19/64/18/1075196418.db2.gz PASQLAKQRQKYJP-UHFFFAOYSA-N 1 2 402.421 1.903 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000471978556 1075196421 /nfs/dbraw/zinc/19/64/21/1075196421.db2.gz PASQLAKQRQKYJP-UHFFFAOYSA-N 1 2 402.421 1.903 20 0 HDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675574022 1075209205 /nfs/dbraw/zinc/20/92/05/1075209205.db2.gz ILWLLMIMMCVSPZ-NHCUHLMSSA-N 1 2 414.550 1.978 20 0 HDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675574022 1075209206 /nfs/dbraw/zinc/20/92/06/1075209206.db2.gz ILWLLMIMMCVSPZ-NHCUHLMSSA-N 1 2 414.550 1.978 20 0 HDADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556033206 1075237381 /nfs/dbraw/zinc/23/73/81/1075237381.db2.gz UYKCQINEBCPQGS-LSDHHAIUSA-N 1 2 408.865 1.806 20 0 HDADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556033206 1075237387 /nfs/dbraw/zinc/23/73/87/1075237387.db2.gz UYKCQINEBCPQGS-LSDHHAIUSA-N 1 2 408.865 1.806 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000426931094 1075248855 /nfs/dbraw/zinc/24/88/55/1075248855.db2.gz AEUKAQKZMUZNES-ULFGMLNVSA-N 1 2 421.448 1.869 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000426931094 1075248862 /nfs/dbraw/zinc/24/88/62/1075248862.db2.gz AEUKAQKZMUZNES-ULFGMLNVSA-N 1 2 421.448 1.869 20 0 HDADLO O=C(Nc1cccc(Cn2cccn2)c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675702111 1075256570 /nfs/dbraw/zinc/25/65/70/1075256570.db2.gz RRMIWZRIFDJABL-UXHICEINSA-N 1 2 411.506 1.630 20 0 HDADLO COCCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675701873 1075257221 /nfs/dbraw/zinc/25/72/21/1075257221.db2.gz GHMNKHQEGNSNIW-WMZOPIPTSA-N 1 2 405.495 1.410 20 0 HDADLO CCOC(=O)C(C)(C)C1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000566060418 1075259897 /nfs/dbraw/zinc/25/98/97/1075259897.db2.gz PFFQVZRRUADMPZ-UHFFFAOYSA-N 1 2 421.542 2.049 20 0 HDADLO Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)n2)cc1 ZINC000675784781 1075271145 /nfs/dbraw/zinc/27/11/45/1075271145.db2.gz BAYAQKJJPYYZJV-DLBZAZTESA-N 1 2 401.536 1.930 20 0 HDADLO O=S(=O)(c1ccc(CNc2cc(NCC3CC3)[nH+]cn2)s1)N1CCOCC1 ZINC000536091595 1075283750 /nfs/dbraw/zinc/28/37/50/1075283750.db2.gz DRMZXTSXOWIJDW-UHFFFAOYSA-N 1 2 409.537 1.993 20 0 HDADLO O=S(=O)(c1ccc(CNc2cc(NCC3CC3)nc[nH+]2)s1)N1CCOCC1 ZINC000536091595 1075283757 /nfs/dbraw/zinc/28/37/57/1075283757.db2.gz DRMZXTSXOWIJDW-UHFFFAOYSA-N 1 2 409.537 1.993 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675893543 1075287423 /nfs/dbraw/zinc/28/74/23/1075287423.db2.gz OGCKMEFDTQCBDL-SFHVURJKSA-N 1 2 404.515 1.270 20 0 HDADLO CCOC(=O)[C@@H]1CC[C@H](Nc2nc(C)[nH+]c(N[C@H]3CC[C@@H](C(=O)OCC)C3)n2)C1 ZINC000435590540 1075289778 /nfs/dbraw/zinc/28/97/78/1075289778.db2.gz ZXDDONYYMNVCBR-WCVJEAGWSA-N 1 2 405.499 2.467 20 0 HDADLO COC(=O)c1ccc(CN2CC[NH+](CCNC(=O)c3ccc(OC)cc3)CC2)nc1 ZINC000509375188 1075293904 /nfs/dbraw/zinc/29/39/04/1075293904.db2.gz XIRRZPBGXLMDGW-UHFFFAOYSA-N 1 2 412.490 1.424 20 0 HDADLO CCOc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)nc2nc(C(F)(F)F)nn21 ZINC000675967401 1075311324 /nfs/dbraw/zinc/31/13/24/1075311324.db2.gz NTMSIWZPJDMYTC-UHFFFAOYSA-N 1 2 422.433 1.009 20 0 HDADLO CCOc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)nc2nc(C(F)(F)F)nn21 ZINC000675967401 1075311327 /nfs/dbraw/zinc/31/13/27/1075311327.db2.gz NTMSIWZPJDMYTC-UHFFFAOYSA-N 1 2 422.433 1.009 20 0 HDADLO CCOC(=O)c1cnn(C2CCN(c3nc(NCCO)c4ccccc4[nH+]3)CC2)c1C ZINC000553605008 1075329673 /nfs/dbraw/zinc/32/96/73/1075329673.db2.gz KEQVLEYCQYLYLK-UHFFFAOYSA-N 1 2 424.505 2.557 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000429395210 1075369233 /nfs/dbraw/zinc/36/92/33/1075369233.db2.gz QRUUCETWLXPTSS-UHFFFAOYSA-N 1 2 405.520 1.694 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000429395210 1075369244 /nfs/dbraw/zinc/36/92/44/1075369244.db2.gz QRUUCETWLXPTSS-UHFFFAOYSA-N 1 2 405.520 1.694 20 0 HDADLO Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000676086441 1075369715 /nfs/dbraw/zinc/36/97/15/1075369715.db2.gz BZEYDVKHJPXVLT-LJQANCHMSA-N 1 2 411.506 1.120 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804086564 1075373301 /nfs/dbraw/zinc/37/33/01/1075373301.db2.gz AAOYZKGNFDULMY-HOTGVXAUSA-N 1 2 407.515 1.684 20 0 HDADLO COc1ccc(CN2CCCN(c3nc(NCCO)c4ccccc4[nH+]3)CC2=O)cc1 ZINC000547341624 1075373527 /nfs/dbraw/zinc/37/35/27/1075373527.db2.gz QSPYRIJHLCMSEJ-UHFFFAOYSA-N 1 2 421.501 2.282 20 0 HDADLO Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)n1 ZINC000676091330 1075376600 /nfs/dbraw/zinc/37/66/00/1075376600.db2.gz LILCYMBIGYITDB-UHFFFAOYSA-N 1 2 413.522 1.366 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000804087124 1075378616 /nfs/dbraw/zinc/37/86/16/1075378616.db2.gz DANHWKVTLXGDMJ-CVEARBPZSA-N 1 2 415.494 1.903 20 0 HDADLO COc1cccc(OCC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451037 1075387525 /nfs/dbraw/zinc/38/75/25/1075387525.db2.gz ARZBKLWCRZKJGB-YQPXSLGVSA-N 1 2 402.491 1.314 20 0 HDADLO COc1cccc(OCC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451037 1075387534 /nfs/dbraw/zinc/38/75/34/1075387534.db2.gz ARZBKLWCRZKJGB-YQPXSLGVSA-N 1 2 402.491 1.314 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000731569576 1075390816 /nfs/dbraw/zinc/39/08/16/1075390816.db2.gz MOTXPKSJPGJHDX-UHFFFAOYSA-N 1 2 413.565 1.643 20 0 HDADLO O=C(NCCCN1CCCS1(=O)=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000676148769 1075399096 /nfs/dbraw/zinc/39/90/96/1075399096.db2.gz HLUCFEZDTVUMGE-MOPGFXCFSA-N 1 2 417.535 1.837 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCN(c2nc(N)ns2)CC1)c1ccccc1 ZINC000676157991 1075412586 /nfs/dbraw/zinc/41/25/86/1075412586.db2.gz ITBPFZZEGLEDSZ-HNNXBMFYSA-N 1 2 412.523 1.669 20 0 HDADLO COc1ccc(C)cc1-n1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000731648862 1075429576 /nfs/dbraw/zinc/42/95/76/1075429576.db2.gz KXWCGOABLJXIOK-UHFFFAOYSA-N 1 2 420.535 1.428 20 0 HDADLO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648596 1075430008 /nfs/dbraw/zinc/43/00/08/1075430008.db2.gz OABOSEFOFFWQCL-OAHLLOKOSA-N 1 2 421.567 1.950 20 0 HDADLO CC(=O)N[C@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(C)cc1 ZINC000731651227 1075434050 /nfs/dbraw/zinc/43/40/50/1075434050.db2.gz ZPCUXGDSCVWWNH-LJQANCHMSA-N 1 2 409.552 1.188 20 0 HDADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)n1CC(F)(F)F ZINC000731651088 1075434543 /nfs/dbraw/zinc/43/45/43/1075434543.db2.gz WUMZPDLSAYNCNC-UHFFFAOYSA-N 1 2 409.474 1.906 20 0 HDADLO Cc1noc2nc(C3CC3)cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c12 ZINC000731650808 1075434857 /nfs/dbraw/zinc/43/48/57/1075434857.db2.gz ZSPWXXYCXPKYQU-UHFFFAOYSA-N 1 2 406.508 1.647 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000731650973 1075434940 /nfs/dbraw/zinc/43/49/40/1075434940.db2.gz NZUJYEDZFOGOBA-IBGZPJMESA-N 1 2 410.536 1.483 20 0 HDADLO CN(C)c1nc2sc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2s1 ZINC000731650827 1075435425 /nfs/dbraw/zinc/43/54/25/1075435425.db2.gz LCGGATSTLBWPKN-UHFFFAOYSA-N 1 2 416.594 1.663 20 0 HDADLO Cc1oc(-c2ccsc2)nc1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650540 1075435657 /nfs/dbraw/zinc/43/56/57/1075435657.db2.gz RMMNKFZEPOGTFV-UHFFFAOYSA-N 1 2 411.549 1.879 20 0 HDADLO CN(Cc1ccn(-c2ccccc2)n1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686038 1075447965 /nfs/dbraw/zinc/44/79/65/1075447965.db2.gz KKWAKILDDSESNV-UHFFFAOYSA-N 1 2 419.551 1.523 20 0 HDADLO COc1cc(CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc(OC)c1 ZINC000731687108 1075449802 /nfs/dbraw/zinc/44/98/02/1075449802.db2.gz XIPIAMCSIHSRPY-UHFFFAOYSA-N 1 2 413.540 1.354 20 0 HDADLO CCCCOc1ncccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686815 1075450256 /nfs/dbraw/zinc/45/02/56/1075450256.db2.gz PYGDVWIEJMXSTE-UHFFFAOYSA-N 1 2 412.556 1.569 20 0 HDADLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429409450 1075453616 /nfs/dbraw/zinc/45/36/16/1075453616.db2.gz ORQHUMKSJSOKOA-GOSISDBHSA-N 1 2 411.568 1.648 20 0 HDADLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429409450 1075453620 /nfs/dbraw/zinc/45/36/20/1075453620.db2.gz ORQHUMKSJSOKOA-GOSISDBHSA-N 1 2 411.568 1.648 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000429409246 1075454177 /nfs/dbraw/zinc/45/41/77/1075454177.db2.gz VLJHJYMTXXJWTB-UHFFFAOYSA-N 1 2 409.483 1.692 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000429409246 1075454180 /nfs/dbraw/zinc/45/41/80/1075454180.db2.gz VLJHJYMTXXJWTB-UHFFFAOYSA-N 1 2 409.483 1.692 20 0 HDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000731669344 1075454969 /nfs/dbraw/zinc/45/49/69/1075454969.db2.gz GTBBMEIOUCZIBM-HUUCEWRRSA-N 1 2 403.479 1.585 20 0 HDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000731669344 1075454971 /nfs/dbraw/zinc/45/49/71/1075454971.db2.gz GTBBMEIOUCZIBM-HUUCEWRRSA-N 1 2 403.479 1.585 20 0 HDADLO Cc1cc(C)n(-c2ccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cn2)n1 ZINC000731678342 1075461423 /nfs/dbraw/zinc/46/14/23/1075461423.db2.gz OOERYJIRPOZYNN-UHFFFAOYSA-N 1 2 420.539 1.515 20 0 HDADLO C[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)N1CCc2ccccc21 ZINC000731680796 1075464566 /nfs/dbraw/zinc/46/45/66/1075464566.db2.gz XKNXBTJFMPKLLP-MRXNPFEDSA-N 1 2 408.568 1.246 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(OCC3CC3)nc2)CC1 ZINC000731682323 1075464758 /nfs/dbraw/zinc/46/47/58/1075464758.db2.gz WDNRCLDURZSMHE-UHFFFAOYSA-N 1 2 410.540 1.179 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3)cc2)CC1 ZINC000731683929 1075467813 /nfs/dbraw/zinc/46/78/13/1075467813.db2.gz NOSFYHXYYWOPTQ-UHFFFAOYSA-N 1 2 405.524 1.181 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000676275035 1075474675 /nfs/dbraw/zinc/47/46/75/1075474675.db2.gz GVKWREVJAPQFPI-KRWDZBQOSA-N 1 2 404.511 1.877 20 0 HDADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[C@H]1C[N@H+](C)CCO1 ZINC000676287233 1075492364 /nfs/dbraw/zinc/49/23/64/1075492364.db2.gz PNZCRVDZGULYCN-GXTWGEPZSA-N 1 2 413.521 1.269 20 0 HDADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[C@H]1C[N@@H+](C)CCO1 ZINC000676287233 1075492367 /nfs/dbraw/zinc/49/23/67/1075492367.db2.gz PNZCRVDZGULYCN-GXTWGEPZSA-N 1 2 413.521 1.269 20 0 HDADLO CC[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Oc1cccc(C)c1 ZINC000428895789 1075497706 /nfs/dbraw/zinc/49/77/06/1075497706.db2.gz QZBUAEUCQAEOMB-GOSISDBHSA-N 1 2 401.511 2.503 20 0 HDADLO CC(C)N(C)c1cccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731764894 1075500054 /nfs/dbraw/zinc/50/00/54/1075500054.db2.gz ITFXMHKKZAZJNY-UHFFFAOYSA-N 1 2 424.567 1.095 20 0 HDADLO Cc1ccc(CNC(=O)c2nnc(CN3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1 ZINC000676316872 1075505953 /nfs/dbraw/zinc/50/59/53/1075505953.db2.gz FRJNOWIZBYENEM-KRWDZBQOSA-N 1 2 401.536 1.683 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 ZINC000731751231 1075507823 /nfs/dbraw/zinc/50/78/23/1075507823.db2.gz FMDHJCNLFLDLIW-UHFFFAOYSA-N 1 2 422.551 1.553 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000731753822 1075510977 /nfs/dbraw/zinc/51/09/77/1075510977.db2.gz GHGZIWSZHZMCIE-UHFFFAOYSA-N 1 2 410.496 1.274 20 0 HDADLO O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676388746 1075534763 /nfs/dbraw/zinc/53/47/63/1075534763.db2.gz UAQSOBYWGYXYKD-MRXNPFEDSA-N 1 2 401.488 1.282 20 0 HDADLO O=C([C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676388627 1075535096 /nfs/dbraw/zinc/53/50/96/1075535096.db2.gz PYJCKZPLKHSLTE-WFXMLNOXSA-N 1 2 419.522 1.649 20 0 HDADLO O=C(c1ccccc1S(=O)(=O)N1CCCCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676390067 1075535152 /nfs/dbraw/zinc/53/51/52/1075535152.db2.gz UGIPLUKBVHSBMY-QGZVFWFLSA-N 1 2 407.536 1.408 20 0 HDADLO Cc1cccn2cc(CC(=O)N3CCO[C@H](CN4C(=O)c5ccccc5C4=O)C3)[nH+]c12 ZINC000676380317 1075538684 /nfs/dbraw/zinc/53/86/84/1075538684.db2.gz NINJOGRPOOFJQU-KRWDZBQOSA-N 1 2 418.453 1.709 20 0 HDADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000731873023 1075549039 /nfs/dbraw/zinc/54/90/39/1075549039.db2.gz KIFJVCBBJYDXDV-INIZCTEOSA-N 1 2 418.567 1.385 20 0 HDADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000731873023 1075549047 /nfs/dbraw/zinc/54/90/47/1075549047.db2.gz KIFJVCBBJYDXDV-INIZCTEOSA-N 1 2 418.567 1.385 20 0 HDADLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)C1 ZINC000543672850 1075554165 /nfs/dbraw/zinc/55/41/65/1075554165.db2.gz HNDYAJWUGGYJSG-INIZCTEOSA-N 1 2 400.504 1.824 20 0 HDADLO Cn1c(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)nc2ccccc21 ZINC000676494431 1075565001 /nfs/dbraw/zinc/56/50/01/1075565001.db2.gz WZHBVNLTMUGDQG-UHFFFAOYSA-N 1 2 400.508 1.662 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(N2C(=O)N[C@H](Cc3cccc(Cl)c3)C2=O)CC1 ZINC000804162776 1075566927 /nfs/dbraw/zinc/56/69/27/1075566927.db2.gz SGWURIUVQIAQOS-MRXNPFEDSA-N 1 2 413.927 1.312 20 0 HDADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@H]2c2ccccc2OC)c(=O)[nH]c1=O ZINC000676486378 1075567986 /nfs/dbraw/zinc/56/79/86/1075567986.db2.gz STNREAJOROICJE-HNNXBMFYSA-N 1 2 416.478 1.596 20 0 HDADLO COCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@H]2c2ccccc2OC)c(=O)[nH]c1=O ZINC000676486378 1075567991 /nfs/dbraw/zinc/56/79/91/1075567991.db2.gz STNREAJOROICJE-HNNXBMFYSA-N 1 2 416.478 1.596 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccccc3-n3cncn3)c[nH+]2)CC1 ZINC000676496364 1075573256 /nfs/dbraw/zinc/57/32/56/1075573256.db2.gz XXVGIDHFEJTJSG-UHFFFAOYSA-N 1 2 413.507 1.356 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3c[nH]nc3-c3cccnc3)c[nH+]2)CC1 ZINC000676496395 1075573318 /nfs/dbraw/zinc/57/33/18/1075573318.db2.gz ZNRGXQUSSIZFEK-UHFFFAOYSA-N 1 2 413.507 1.560 20 0 HDADLO CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000676543915 1075581764 /nfs/dbraw/zinc/58/17/64/1075581764.db2.gz BXFSWVUKQWJQND-INIZCTEOSA-N 1 2 415.494 1.430 20 0 HDADLO O=C(NC[C@H]1CCc2ccccc2C1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000676551370 1075583695 /nfs/dbraw/zinc/58/36/95/1075583695.db2.gz GZTMXKWTEVHDGN-KRWDZBQOSA-N 1 2 411.506 1.075 20 0 HDADLO Cc1nnc(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)c2)n1C ZINC000676547497 1075594055 /nfs/dbraw/zinc/59/40/55/1075594055.db2.gz OVRFMIHABSNRNW-GOSISDBHSA-N 1 2 412.494 1.052 20 0 HDADLO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000676547557 1075595067 /nfs/dbraw/zinc/59/50/67/1075595067.db2.gz SLDZNWIOPCWHRS-MRXNPFEDSA-N 1 2 401.467 1.095 20 0 HDADLO CCC[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccn1 ZINC000676549128 1075596046 /nfs/dbraw/zinc/59/60/46/1075596046.db2.gz BWSKGEOGNCUSFC-SFHVURJKSA-N 1 2 400.483 1.206 20 0 HDADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H](C)c3nc4ccccc4s3)CC2)cc[nH+]1 ZINC000804170191 1075600780 /nfs/dbraw/zinc/60/07/80/1075600780.db2.gz MWOSZWXHCMFFHB-CYBMUJFWSA-N 1 2 410.503 1.921 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)c1C ZINC000804182305 1075614398 /nfs/dbraw/zinc/61/43/98/1075614398.db2.gz UYEVWTDLDGUWTG-UHFFFAOYSA-N 1 2 408.499 1.649 20 0 HDADLO COc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)cc1 ZINC000472321341 1075618311 /nfs/dbraw/zinc/61/83/11/1075618311.db2.gz ZLTPAHIIVSFKTK-AWEZNQCLSA-N 1 2 413.526 1.618 20 0 HDADLO COCCS(=O)(=O)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000732085191 1075620525 /nfs/dbraw/zinc/62/05/25/1075620525.db2.gz LGAGFTUFEOWRMW-UHFFFAOYSA-N 1 2 402.944 1.826 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000554710547 1075627159 /nfs/dbraw/zinc/62/71/59/1075627159.db2.gz RAFMGQHWADIISI-ZDUSSCGKSA-N 1 2 419.530 2.122 20 0 HDADLO O=Cc1n[nH]c2cc(C(=O)OCC(=O)N3CC[NH+](Cc4cccs4)CC3)ccc12 ZINC000766175294 1075627633 /nfs/dbraw/zinc/62/76/33/1075627633.db2.gz RERHLEHTVYXIIR-UHFFFAOYSA-N 1 2 412.471 1.938 20 0 HDADLO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC(c4n[nH]c(=O)[nH]4)CC3)CC2)C1 ZINC000676640619 1075630198 /nfs/dbraw/zinc/63/01/98/1075630198.db2.gz SHSVQEAYOGZDOF-OAHLLOKOSA-N 1 2 418.542 1.187 20 0 HDADLO CON(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000732128222 1075631363 /nfs/dbraw/zinc/63/13/63/1075631363.db2.gz UYOUVWJYVHQBKY-QGZVFWFLSA-N 1 2 411.524 1.195 20 0 HDADLO Cc1ccc(N2C(=O)C(=O)N(C[N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)c(C)c1 ZINC000732192479 1075656290 /nfs/dbraw/zinc/65/62/90/1075656290.db2.gz ZZCPRVWHEPCOGE-KRWDZBQOSA-N 1 2 412.490 1.891 20 0 HDADLO Cc1ccc(N2C(=O)C(=O)N(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)c(C)c1 ZINC000732192479 1075656297 /nfs/dbraw/zinc/65/62/97/1075656297.db2.gz ZZCPRVWHEPCOGE-KRWDZBQOSA-N 1 2 412.490 1.891 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676717636 1075658660 /nfs/dbraw/zinc/65/86/60/1075658660.db2.gz XSVNFSIBRRDUKH-QGZVFWFLSA-N 1 2 403.552 1.956 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676717636 1075658661 /nfs/dbraw/zinc/65/86/61/1075658661.db2.gz XSVNFSIBRRDUKH-QGZVFWFLSA-N 1 2 403.552 1.956 20 0 HDADLO COCCNC(=O)c1c2c(sc1NC(=O)C[N@H+](C)CCn1cccn1)CCCC2 ZINC000732209640 1075666218 /nfs/dbraw/zinc/66/62/18/1075666218.db2.gz PNOFRZDECVLCBQ-UHFFFAOYSA-N 1 2 419.551 1.770 20 0 HDADLO COCCNC(=O)c1c2c(sc1NC(=O)C[N@@H+](C)CCn1cccn1)CCCC2 ZINC000732209640 1075666221 /nfs/dbraw/zinc/66/62/21/1075666221.db2.gz PNOFRZDECVLCBQ-UHFFFAOYSA-N 1 2 419.551 1.770 20 0 HDADLO CC[C@@H](c1nnc(SCc2nccc(N)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000532618813 1075672004 /nfs/dbraw/zinc/67/20/04/1075672004.db2.gz DFFDFBMLPXODBI-AWEZNQCLSA-N 1 2 406.560 1.288 20 0 HDADLO CC(C)(C)OC(=O)NCCOc1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000804210151 1075682603 /nfs/dbraw/zinc/68/26/03/1075682603.db2.gz SAFSOBAKBDVPLA-INIZCTEOSA-N 1 2 415.450 1.981 20 0 HDADLO CCn1c2ccc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2[nH]c(=O)c1=O ZINC000028694845 1075687147 /nfs/dbraw/zinc/68/71/47/1075687147.db2.gz XXRAYJOMVBSYQN-UHFFFAOYSA-N 1 2 403.442 1.885 20 0 HDADLO C[C@@H](C(=O)NCc1ccc(-n2cncn2)nc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732269091 1075689743 /nfs/dbraw/zinc/68/97/43/1075689743.db2.gz BPYZADQAZGFSGQ-INIZCTEOSA-N 1 2 409.469 1.628 20 0 HDADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000509438285 1075694147 /nfs/dbraw/zinc/69/41/47/1075694147.db2.gz RDETZBCERDFLDT-UHFFFAOYSA-N 1 2 404.942 1.662 20 0 HDADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC=C(c3ccccc3Cl)CC2)CC1 ZINC000509438285 1075694149 /nfs/dbraw/zinc/69/41/49/1075694149.db2.gz RDETZBCERDFLDT-UHFFFAOYSA-N 1 2 404.942 1.662 20 0 HDADLO COc1cc(C[NH+]2CCN([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)cc(OC)c1 ZINC000476998403 1075695688 /nfs/dbraw/zinc/69/56/88/1075695688.db2.gz TVOCCGXWLUQLMC-CQSZACIVSA-N 1 2 401.515 1.416 20 0 HDADLO CCN1C(=S)N=NC1CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732287801 1075698946 /nfs/dbraw/zinc/69/89/46/1075698946.db2.gz HPAMETXXCRHARX-CQSZACIVSA-N 1 2 406.531 1.595 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000429468147 1075700387 /nfs/dbraw/zinc/70/03/87/1075700387.db2.gz KCAAHELXSBIIHH-ZFMNYDKASA-N 1 2 414.550 1.928 20 0 HDADLO COc1cc2nc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)nc(N)c2cc1OC ZINC000447204468 1075706236 /nfs/dbraw/zinc/70/62/36/1075706236.db2.gz SLBREYSAKVEOME-CQSZACIVSA-N 1 2 414.510 1.362 20 0 HDADLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000426903902 1075708498 /nfs/dbraw/zinc/70/84/98/1075708498.db2.gz SXNMUMLPJQZODS-CYBMUJFWSA-N 1 2 412.462 2.293 20 0 HDADLO C[C@@H]1COCC[N@H+]1CCNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000426903902 1075708506 /nfs/dbraw/zinc/70/85/06/1075708506.db2.gz SXNMUMLPJQZODS-CYBMUJFWSA-N 1 2 412.462 2.293 20 0 HDADLO Cc1cc(N2CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000429473135 1075733128 /nfs/dbraw/zinc/73/31/28/1075733128.db2.gz QCOXQWWKVSKJBO-OIISXLGYSA-N 1 2 400.527 1.749 20 0 HDADLO CC(C)(C)OC(=O)NCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732460432 1075750730 /nfs/dbraw/zinc/75/07/30/1075750730.db2.gz KVYDYLNPSNLHRB-SFHVURJKSA-N 1 2 406.527 1.754 20 0 HDADLO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000514741629 1075751129 /nfs/dbraw/zinc/75/11/29/1075751129.db2.gz PAOAPWKNURRILN-AYHJJNSGSA-N 1 2 413.526 1.891 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000732463820 1075751937 /nfs/dbraw/zinc/75/19/37/1075751937.db2.gz RZEKRIPJTPXZAU-AWEZNQCLSA-N 1 2 420.576 1.050 20 0 HDADLO C[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000732585791 1075795529 /nfs/dbraw/zinc/79/55/29/1075795529.db2.gz YYOINCHTTWGJDW-INIZCTEOSA-N 1 2 422.489 1.434 20 0 HDADLO CN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079022955 1075799814 /nfs/dbraw/zinc/79/98/14/1075799814.db2.gz BZGQTFARSWBDOL-PDQKVPEZSA-N 1 2 400.523 1.616 20 0 HDADLO C[C@]1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCN1C(=O)c1ccccc1 ZINC000522636745 1075820058 /nfs/dbraw/zinc/82/00/58/1075820058.db2.gz OJECSCQJORKLNE-JOCHJYFZSA-N 1 2 411.506 1.849 20 0 HDADLO CCOC(=O)CC[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000611062011 1075822144 /nfs/dbraw/zinc/82/21/44/1075822144.db2.gz SBDOUAWGATXUNY-XLIONFOSSA-N 1 2 413.584 1.959 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 ZINC000732764346 1075847890 /nfs/dbraw/zinc/84/78/90/1075847890.db2.gz DFLMLJSFKUWCFT-ZWKOTPCHSA-N 1 2 413.584 1.040 20 0 HDADLO CCc1c(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cnn1CC(C)C ZINC000611137941 1075858015 /nfs/dbraw/zinc/85/80/15/1075858015.db2.gz BABVOTWYIWVQII-OAHLLOKOSA-N 1 2 407.515 1.136 20 0 HDADLO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)nn1 ZINC000551753179 1075860645 /nfs/dbraw/zinc/86/06/45/1075860645.db2.gz PQEQDAGQQMRAKW-FXAWDEMLSA-N 1 2 420.473 2.444 20 0 HDADLO Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(C)c1 ZINC000438308439 1075863303 /nfs/dbraw/zinc/86/33/03/1075863303.db2.gz WAMMVVIZLBDQSR-UHFFFAOYSA-N 1 2 414.510 1.901 20 0 HDADLO CC(C)C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)n1cc[nH+]c1 ZINC001487430506 1075877141 /nfs/dbraw/zinc/87/71/41/1075877141.db2.gz OIYONVKJCZWDHK-NIKDIJRDSA-N 1 2 400.523 1.905 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CC1(Cl)Cl ZINC000732915536 1075911789 /nfs/dbraw/zinc/91/17/89/1075911789.db2.gz LHBJEBKJPMTAGO-STQMWFEESA-N 1 2 400.310 1.592 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CC1(Cl)Cl ZINC000732915536 1075911792 /nfs/dbraw/zinc/91/17/92/1075911792.db2.gz LHBJEBKJPMTAGO-STQMWFEESA-N 1 2 400.310 1.592 20 0 HDADLO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1C ZINC000611361770 1075919200 /nfs/dbraw/zinc/91/92/00/1075919200.db2.gz OMKMVKQFJGOADA-INIZCTEOSA-N 1 2 409.446 1.584 20 0 HDADLO COC(=O)c1cc(NC(=O)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1C ZINC000611361771 1075919245 /nfs/dbraw/zinc/91/92/45/1075919245.db2.gz OMKMVKQFJGOADA-MRXNPFEDSA-N 1 2 409.446 1.584 20 0 HDADLO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000143796080 1075928969 /nfs/dbraw/zinc/92/89/69/1075928969.db2.gz PDYSZASCHGVWFT-UHFFFAOYSA-N 1 2 409.490 1.851 20 0 HDADLO COC(=O)c1csc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1C ZINC000611449721 1075936968 /nfs/dbraw/zinc/93/69/68/1075936968.db2.gz BQAWHYDDCSBCPD-OAHLLOKOSA-N 1 2 409.508 1.495 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000611540791 1075954488 /nfs/dbraw/zinc/95/44/88/1075954488.db2.gz YIJPFLXWHULTPB-GJZGRUSLSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000611540815 1075955464 /nfs/dbraw/zinc/95/54/64/1075955464.db2.gz ZSPNSXUJPFCOPI-HZPDHXFCSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)CNC(=O)CC[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000611531442 1075958437 /nfs/dbraw/zinc/95/84/37/1075958437.db2.gz GFTHXAQVXBGRMS-GOSISDBHSA-N 1 2 400.479 1.542 20 0 HDADLO COC(=O)CNC(=O)CC[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000611531442 1075958439 /nfs/dbraw/zinc/95/84/39/1075958439.db2.gz GFTHXAQVXBGRMS-GOSISDBHSA-N 1 2 400.479 1.542 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080159362 1075983182 /nfs/dbraw/zinc/98/31/82/1075983182.db2.gz BATMKKRXLSQJDY-VHMKPURESA-N 1 2 405.445 1.763 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080159362 1075983185 /nfs/dbraw/zinc/98/31/85/1075983185.db2.gz BATMKKRXLSQJDY-VHMKPURESA-N 1 2 405.445 1.763 20 0 HDADLO CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001080176735 1075984781 /nfs/dbraw/zinc/98/47/81/1075984781.db2.gz IHELKZSROJSPLA-FZWBFHRNSA-N 1 2 400.523 1.953 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180430 1075985099 /nfs/dbraw/zinc/98/50/99/1075985099.db2.gz JRNFDSLPBXWIBR-HERIUZKZSA-N 1 2 401.507 1.137 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccccc2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180430 1075985101 /nfs/dbraw/zinc/98/51/01/1075985101.db2.gz JRNFDSLPBXWIBR-HERIUZKZSA-N 1 2 401.507 1.137 20 0 HDADLO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000733154841 1075988164 /nfs/dbraw/zinc/98/81/64/1075988164.db2.gz MXRILWJPLXZCBS-UHFFFAOYSA-N 1 2 409.552 1.910 20 0 HDADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000510827651 1075992019 /nfs/dbraw/zinc/99/20/19/1075992019.db2.gz WKIBVXULNIMEOP-AWEZNQCLSA-N 1 2 405.480 1.862 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000733161712 1075994655 /nfs/dbraw/zinc/99/46/55/1075994655.db2.gz WABDCAZISQAYIQ-GOSISDBHSA-N 1 2 422.570 1.933 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000733161712 1075994658 /nfs/dbraw/zinc/99/46/58/1075994658.db2.gz WABDCAZISQAYIQ-GOSISDBHSA-N 1 2 422.570 1.933 20 0 HDADLO O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000513595381 1076005895 /nfs/dbraw/zinc/00/58/95/1076005895.db2.gz NJPBUNSBHVSKGQ-LSDHHAIUSA-N 1 2 413.444 1.940 20 0 HDADLO O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000513595381 1076005900 /nfs/dbraw/zinc/00/59/00/1076005900.db2.gz NJPBUNSBHVSKGQ-LSDHHAIUSA-N 1 2 413.444 1.940 20 0 HDADLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2nnn(Cc3cc(C)on3)c2C)nc[nH+]1 ZINC000513623974 1076006279 /nfs/dbraw/zinc/00/62/79/1076006279.db2.gz HVERYPVKGKTTQH-OAHLLOKOSA-N 1 2 411.470 1.162 20 0 HDADLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2nnn(Cc3cc(C)on3)c2C)[nH+]cn1 ZINC000513623974 1076006281 /nfs/dbraw/zinc/00/62/81/1076006281.db2.gz HVERYPVKGKTTQH-OAHLLOKOSA-N 1 2 411.470 1.162 20 0 HDADLO COC[C@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)C1 ZINC000733183429 1076011591 /nfs/dbraw/zinc/01/15/91/1076011591.db2.gz KUTHXQNKIUIKDS-IRXDYDNUSA-N 1 2 411.572 1.746 20 0 HDADLO COC[C@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)C1 ZINC000733183429 1076011597 /nfs/dbraw/zinc/01/15/97/1076011597.db2.gz KUTHXQNKIUIKDS-IRXDYDNUSA-N 1 2 411.572 1.746 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000733296807 1076041683 /nfs/dbraw/zinc/04/16/83/1076041683.db2.gz IPSHCXOMGAHRQE-VLIAUNLRSA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000733296807 1076041689 /nfs/dbraw/zinc/04/16/89/1076041689.db2.gz IPSHCXOMGAHRQE-VLIAUNLRSA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000733296802 1076041735 /nfs/dbraw/zinc/04/17/35/1076041735.db2.gz IPSHCXOMGAHRQE-JLTOFOAXSA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000733296802 1076041742 /nfs/dbraw/zinc/04/17/42/1076041742.db2.gz IPSHCXOMGAHRQE-JLTOFOAXSA-N 1 2 417.441 1.970 20 0 HDADLO Cc1cn2cc(NC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)ccc2[nH+]1 ZINC000727091059 1076042390 /nfs/dbraw/zinc/04/23/90/1076042390.db2.gz OWTDMGRSXKVBBA-UHFFFAOYSA-N 1 2 416.239 1.487 20 0 HDADLO CSCC[C@H]1NC(=S)N(CC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1=O ZINC000733333264 1076045867 /nfs/dbraw/zinc/04/58/67/1076045867.db2.gz KJFTWPUZJQSOTB-MRXNPFEDSA-N 1 2 412.625 1.549 20 0 HDADLO COc1ccc(C(=O)C2CCN(CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)cc1 ZINC000054886768 1076064570 /nfs/dbraw/zinc/06/45/70/1076064570.db2.gz KCGATVICVGEVSF-UHFFFAOYSA-N 1 2 417.550 1.817 20 0 HDADLO COc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1S(=O)(=O)N(C)C ZINC000727496664 1076138121 /nfs/dbraw/zinc/13/81/21/1076138121.db2.gz PCLYSVXHHNJNSQ-KRWDZBQOSA-N 1 2 408.524 1.987 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)CCO1 ZINC000727603219 1076177116 /nfs/dbraw/zinc/17/71/16/1076177116.db2.gz HJQSLXGIZNGIGV-HUUCEWRRSA-N 1 2 419.444 1.807 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)CCO1 ZINC000727603219 1076177121 /nfs/dbraw/zinc/17/71/21/1076177121.db2.gz HJQSLXGIZNGIGV-HUUCEWRRSA-N 1 2 419.444 1.807 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)C1 ZINC000527462322 1076203830 /nfs/dbraw/zinc/20/38/30/1076203830.db2.gz CCHKTDMGGOSKEF-IBGZPJMESA-N 1 2 420.469 1.972 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)C1 ZINC000527462322 1076203839 /nfs/dbraw/zinc/20/38/39/1076203839.db2.gz CCHKTDMGGOSKEF-IBGZPJMESA-N 1 2 420.469 1.972 20 0 HDADLO COC(=O)[C@H]1CC12CC[NH+](Cn1nc3n(c1=S)c1ccccc1c(=O)n3C)CC2 ZINC000733791422 1076208180 /nfs/dbraw/zinc/20/81/80/1076208180.db2.gz MSVAXFRHWOTZKP-CQSZACIVSA-N 1 2 413.503 1.950 20 0 HDADLO O=C(COC(=O)COc1ccc(O)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000733831176 1076221624 /nfs/dbraw/zinc/22/16/24/1076221624.db2.gz UQADOTPOTSGJCU-UHFFFAOYSA-N 1 2 414.458 1.463 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(C)c1 ZINC000531668066 1076237753 /nfs/dbraw/zinc/23/77/53/1076237753.db2.gz CXZMCWDGNAMNNN-MOPGFXCFSA-N 1 2 416.522 1.443 20 0 HDADLO Cn1ncnc1COc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535264173 1076250420 /nfs/dbraw/zinc/25/04/20/1076250420.db2.gz CZFHDJQZZVJDQP-LJQANCHMSA-N 1 2 413.503 1.859 20 0 HDADLO Cn1ncnc1COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535264173 1076250426 /nfs/dbraw/zinc/25/04/26/1076250426.db2.gz CZFHDJQZZVJDQP-LJQANCHMSA-N 1 2 413.503 1.859 20 0 HDADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000536071638 1076255534 /nfs/dbraw/zinc/25/55/34/1076255534.db2.gz XVAKVBVIMJZIGN-SFHVURJKSA-N 1 2 416.503 1.145 20 0 HDADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000536071638 1076255539 /nfs/dbraw/zinc/25/55/39/1076255539.db2.gz XVAKVBVIMJZIGN-SFHVURJKSA-N 1 2 416.503 1.145 20 0 HDADLO CCC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065705371 1076256596 /nfs/dbraw/zinc/25/65/96/1076256596.db2.gz YEFMLSPIDYBZQK-KKEPMVJESA-N 1 2 403.567 1.981 20 0 HDADLO COCCS(=O)(=O)CCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000727827647 1076262569 /nfs/dbraw/zinc/26/25/69/1076262569.db2.gz BBNHXPJLCAVYED-UHFFFAOYSA-N 1 2 422.544 1.020 20 0 HDADLO CCN(CCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000804258023 1076264964 /nfs/dbraw/zinc/26/49/64/1076264964.db2.gz KVTKKULDAAURHK-UHFFFAOYSA-N 1 2 405.499 1.103 20 0 HDADLO CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733985831 1076283999 /nfs/dbraw/zinc/28/39/99/1076283999.db2.gz NAVZTUSFNLOSFZ-XSZJWBAASA-N 1 2 420.560 1.978 20 0 HDADLO Cc1ccn2ncc(C(=O)OCC(=O)NCc3ccccc3C[NH+]3CCOCC3)c2n1 ZINC000727929851 1076285905 /nfs/dbraw/zinc/28/59/05/1076285905.db2.gz TZJXWHBTSIRRGC-UHFFFAOYSA-N 1 2 423.473 1.343 20 0 HDADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1C ZINC000727947628 1076293441 /nfs/dbraw/zinc/29/34/41/1076293441.db2.gz PHDLMJDZUVRGEL-UHFFFAOYSA-N 1 2 413.413 1.385 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](CCc3c(F)cccc3F)C[C@@H]21 ZINC001083148697 1076307104 /nfs/dbraw/zinc/30/71/04/1076307104.db2.gz AVRYMWGNWYZOOK-VYKNERDSSA-N 1 2 404.457 1.842 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](CCc3c(F)cccc3F)C[C@@H]21 ZINC001083148697 1076307108 /nfs/dbraw/zinc/30/71/08/1076307108.db2.gz AVRYMWGNWYZOOK-VYKNERDSSA-N 1 2 404.457 1.842 20 0 HDADLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC001083148960 1076307863 /nfs/dbraw/zinc/30/78/63/1076307863.db2.gz PZZLBCAERGEIQU-FVCOPRDSSA-N 1 2 400.523 1.607 20 0 HDADLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC001083148960 1076307869 /nfs/dbraw/zinc/30/78/69/1076307869.db2.gz PZZLBCAERGEIQU-FVCOPRDSSA-N 1 2 400.523 1.607 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 ZINC000728031693 1076312012 /nfs/dbraw/zinc/31/20/12/1076312012.db2.gz DVSAMBYQCHQWGV-KRWDZBQOSA-N 1 2 421.501 1.678 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CCCCC3)cc2)CC1 ZINC000728063778 1076314954 /nfs/dbraw/zinc/31/49/54/1076314954.db2.gz OXUUQAAPFDIZFX-UHFFFAOYSA-N 1 2 402.539 1.968 20 0 HDADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000728067346 1076315795 /nfs/dbraw/zinc/31/57/95/1076315795.db2.gz HCLVHCSKECTSSR-ROTVFRRXSA-N 1 2 422.595 1.401 20 0 HDADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000728067346 1076315805 /nfs/dbraw/zinc/31/58/05/1076315805.db2.gz HCLVHCSKECTSSR-ROTVFRRXSA-N 1 2 422.595 1.401 20 0 HDADLO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000728053065 1076321253 /nfs/dbraw/zinc/32/12/53/1076321253.db2.gz GUOVZGBCWNIBTI-FUHWJXTLSA-N 1 2 414.568 1.420 20 0 HDADLO O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000728053065 1076321257 /nfs/dbraw/zinc/32/12/57/1076321257.db2.gz GUOVZGBCWNIBTI-FUHWJXTLSA-N 1 2 414.568 1.420 20 0 HDADLO Cc1ccc(C)c(CC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000728112567 1076337275 /nfs/dbraw/zinc/33/72/75/1076337275.db2.gz PESNIMVKNRJYNZ-UHFFFAOYSA-N 1 2 422.489 1.415 20 0 HDADLO COc1ccc([C@@H](CNC(=O)CN(C)CCS(C)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000728114964 1076337343 /nfs/dbraw/zinc/33/73/43/1076337343.db2.gz DQLUKRWWZHQTFN-LJQANCHMSA-N 1 2 411.568 1.315 20 0 HDADLO C[C@]1(c2ccccn2)NC(=O)N(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000728159772 1076350106 /nfs/dbraw/zinc/35/01/06/1076350106.db2.gz TUBIELQAJCQPLR-HXUWFJFHSA-N 1 2 413.503 1.255 20 0 HDADLO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(=O)[nH]c1=O ZINC000027570761 1076360493 /nfs/dbraw/zinc/36/04/93/1076360493.db2.gz KAMQKMCVZDHUKL-CQSZACIVSA-N 1 2 413.478 1.062 20 0 HDADLO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(=O)[nH]c1=O ZINC000027570761 1076360498 /nfs/dbraw/zinc/36/04/98/1076360498.db2.gz KAMQKMCVZDHUKL-CQSZACIVSA-N 1 2 413.478 1.062 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@H]1C1OCCO1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000728173770 1076365156 /nfs/dbraw/zinc/36/51/56/1076365156.db2.gz JMGZEWMWVAZAQM-HNNXBMFYSA-N 1 2 405.451 1.723 20 0 HDADLO O=C(C[N@H+]1CCCC[C@H]1C1OCCO1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000728173770 1076365165 /nfs/dbraw/zinc/36/51/65/1076365165.db2.gz JMGZEWMWVAZAQM-HNNXBMFYSA-N 1 2 405.451 1.723 20 0 HDADLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3nnnn3C[C@@H]3CCCO3)CC2)c1 ZINC000030346930 1076366094 /nfs/dbraw/zinc/36/60/94/1076366094.db2.gz FSHSOCYKBHRLCT-SFHVURJKSA-N 1 2 416.551 1.597 20 0 HDADLO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000729980971 1076406080 /nfs/dbraw/zinc/40/60/80/1076406080.db2.gz SVPYLSIBNCOKLY-ZDUSSCGKSA-N 1 2 419.341 1.693 20 0 HDADLO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000729980971 1076406087 /nfs/dbraw/zinc/40/60/87/1076406087.db2.gz SVPYLSIBNCOKLY-ZDUSSCGKSA-N 1 2 419.341 1.693 20 0 HDADLO CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2[nH]c1=S ZINC000730086010 1076440352 /nfs/dbraw/zinc/44/03/52/1076440352.db2.gz MQLKTIUAAMJVPG-SJORKVTESA-N 1 2 402.520 1.376 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000730129855 1076459495 /nfs/dbraw/zinc/45/94/95/1076459495.db2.gz CRURVNKKWANRLG-IAGOWNOFSA-N 1 2 411.591 1.957 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)N/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000730203970 1076482487 /nfs/dbraw/zinc/48/24/87/1076482487.db2.gz ZVIIEKQIHPQKKP-FABDANFUSA-N 1 2 405.502 1.835 20 0 HDADLO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000730522643 1076588423 /nfs/dbraw/zinc/58/84/23/1076588423.db2.gz WSFSQLFVMVPQTG-UHFFFAOYSA-N 1 2 401.858 1.115 20 0 HDADLO CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[N@H+](C)CCN(C)c1ccccc1 ZINC000730804688 1076664996 /nfs/dbraw/zinc/66/49/96/1076664996.db2.gz WLWNPMZRUQSNMW-UHFFFAOYSA-N 1 2 418.519 1.871 20 0 HDADLO CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+](C)CCN(C)c1ccccc1 ZINC000730804688 1076665001 /nfs/dbraw/zinc/66/50/01/1076665001.db2.gz WLWNPMZRUQSNMW-UHFFFAOYSA-N 1 2 418.519 1.871 20 0 HDADLO CN(CC1CC[NH+]([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000730816688 1076669547 /nfs/dbraw/zinc/66/95/47/1076669547.db2.gz CLUOYFXDEJEOLK-HNNXBMFYSA-N 1 2 403.483 1.687 20 0 HDADLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000730817571 1076669563 /nfs/dbraw/zinc/66/95/63/1076669563.db2.gz VJDILQYSAGMSMD-DZGCQCFKSA-N 1 2 403.483 1.734 20 0 HDADLO COc1ccccc1C(=O)N1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000730937752 1076696899 /nfs/dbraw/zinc/69/68/99/1076696899.db2.gz HHRQXAUFIPUBHK-UHFFFAOYSA-N 1 2 403.504 1.343 20 0 HDADLO COc1ccc(C(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000730937749 1076696977 /nfs/dbraw/zinc/69/69/77/1076696977.db2.gz HAQJGJHSBHZWRG-UHFFFAOYSA-N 1 2 403.504 1.343 20 0 HDADLO NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000730939904 1076699042 /nfs/dbraw/zinc/69/90/42/1076699042.db2.gz QLVSTGPTOQDROR-UHFFFAOYSA-N 1 2 409.458 1.613 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cc2csc(-c3nc[nH]n3)n2)CC1 ZINC000731182775 1076745977 /nfs/dbraw/zinc/74/59/77/1076745977.db2.gz HYDGBJCEROBEQY-UHFFFAOYSA-N 1 2 411.491 1.497 20 0 HDADLO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(CS(C)(=O)=O)no1 ZINC001308118637 1126164066 /nfs/dbraw/zinc/16/40/66/1126164066.db2.gz UJOGBUXLSRYVGQ-OAHLLOKOSA-N 1 2 418.313 1.460 20 0 HDADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)ncc1Cl ZINC001164634760 719269196 /nfs/dbraw/zinc/26/91/96/719269196.db2.gz OKWVKAFHNPOUJQ-UHFFFAOYSA-N 1 2 424.929 1.671 20 0 HDADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)ncc1Cl ZINC001164634760 719269198 /nfs/dbraw/zinc/26/91/98/719269198.db2.gz OKWVKAFHNPOUJQ-UHFFFAOYSA-N 1 2 424.929 1.671 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)nc(-c4ccccn4)n3)CC2)C1=O ZINC001164638137 719279575 /nfs/dbraw/zinc/27/95/75/719279575.db2.gz DCDIXVFNPHJTCB-UHFFFAOYSA-N 1 2 410.522 1.606 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)nc(-c4ccccn4)n3)CC2)C1=O ZINC001164638137 719279576 /nfs/dbraw/zinc/27/95/76/719279576.db2.gz DCDIXVFNPHJTCB-UHFFFAOYSA-N 1 2 410.522 1.606 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCCC1 ZINC001164702136 719838252 /nfs/dbraw/zinc/83/82/52/719838252.db2.gz OEGCBMLGXYXUHF-HTAPYJJXSA-N 1 2 416.522 1.550 20 0 HDADLO COC(=O)c1cc(Cl)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164699886 719841317 /nfs/dbraw/zinc/84/13/17/719841317.db2.gz ISEWADNDLRXVBL-KUHUBIRLSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2C ZINC001164700429 719849838 /nfs/dbraw/zinc/84/98/38/719849838.db2.gz KNNMYQASDVPOSM-XIKOKIGWSA-N 1 2 408.890 1.249 20 0 HDADLO COCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc(SC)n1 ZINC001164700512 719853338 /nfs/dbraw/zinc/85/33/38/719853338.db2.gz HQRBHIHUBJIVTH-DNVCBOLYSA-N 1 2 410.540 1.578 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(Cl)cnc21 ZINC001164706681 719858639 /nfs/dbraw/zinc/85/86/39/719858639.db2.gz YLJHUZBXKPRIKS-LIRRHRJNSA-N 1 2 405.886 1.911 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(OC)c1 ZINC001164702503 719860195 /nfs/dbraw/zinc/86/01/95/719860195.db2.gz NLNFDZGKVRVLHQ-KKSFZXQISA-N 1 2 421.494 1.500 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cccnc2F)n1 ZINC001164706804 719862020 /nfs/dbraw/zinc/86/20/20/719862020.db2.gz YYHMQETVZTWLQV-YCRPNKLZSA-N 1 2 415.469 1.910 20 0 HDADLO CCCNC(=O)c1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706582 719868222 /nfs/dbraw/zinc/86/82/22/719868222.db2.gz QBGFMVAULGKSOH-IIBYNOLFSA-N 1 2 404.511 1.454 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2ncn(C(C)C)c2n1 ZINC001164702832 719868665 /nfs/dbraw/zinc/86/86/65/719868665.db2.gz IZKWCANBMHETSV-QRWLVFNGSA-N 1 2 402.499 1.640 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)OC(C)C ZINC001164701205 719876492 /nfs/dbraw/zinc/87/64/92/719876492.db2.gz FXVJYZUPZMALJD-IIBYNOLFSA-N 1 2 405.495 1.880 20 0 HDADLO COCCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164707793 719877208 /nfs/dbraw/zinc/87/72/08/719877208.db2.gz VKYRCJIWDXABDQ-UTKZUKDTSA-N 1 2 421.494 1.118 20 0 HDADLO CCOc1c(Cl)ncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708698 719910760 /nfs/dbraw/zinc/91/07/60/719910760.db2.gz HRBGZFZBGIMFLQ-UHFFFAOYSA-N 1 2 419.917 1.213 20 0 HDADLO COc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ncc2c1 ZINC001164708443 719911220 /nfs/dbraw/zinc/91/12/20/719911220.db2.gz DDSZHPWOCLOJJV-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164708946 719918879 /nfs/dbraw/zinc/91/88/79/719918879.db2.gz VKEMUEARFVXLMY-UHFFFAOYSA-N 1 2 414.901 1.295 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(C3CC3)nc3[nH]ccc31)CC2 ZINC001164708535 719937832 /nfs/dbraw/zinc/93/78/32/719937832.db2.gz KOECKXGFCZBARI-UHFFFAOYSA-N 1 2 420.521 1.519 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3N)C2)C1 ZINC001164720262 720252911 /nfs/dbraw/zinc/25/29/11/720252911.db2.gz SYDFIBCAZKPVLX-QGZVFWFLSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3N)C2)C1 ZINC001164720262 720252916 /nfs/dbraw/zinc/25/29/16/720252916.db2.gz SYDFIBCAZKPVLX-QGZVFWFLSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164718271 720260004 /nfs/dbraw/zinc/26/00/04/720260004.db2.gz DEHKXJZGYBHDSM-FQEVSTJZSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164718271 720260006 /nfs/dbraw/zinc/26/00/06/720260006.db2.gz DEHKXJZGYBHDSM-FQEVSTJZSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C2)C1 ZINC001164723337 720307598 /nfs/dbraw/zinc/30/75/98/720307598.db2.gz NQVACSHQQSUGOP-QGZVFWFLSA-N 1 2 418.872 1.183 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C2)C1 ZINC001164723337 720307600 /nfs/dbraw/zinc/30/76/00/720307600.db2.gz NQVACSHQQSUGOP-QGZVFWFLSA-N 1 2 418.872 1.183 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc(N)n4)CC3)C2=O)cs1 ZINC001164830173 720356786 /nfs/dbraw/zinc/35/67/86/720356786.db2.gz VMNSYOWELPOSCI-UHFFFAOYSA-N 1 2 421.958 1.790 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc(N)n4)CC3)C2=O)cs1 ZINC001164830173 720356797 /nfs/dbraw/zinc/35/67/97/720356797.db2.gz VMNSYOWELPOSCI-UHFFFAOYSA-N 1 2 421.958 1.790 20 0 HDADLO CCOc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164824881 720359965 /nfs/dbraw/zinc/35/99/65/720359965.db2.gz PEPMBGKFDANKHU-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO CCOc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164824881 720359971 /nfs/dbraw/zinc/35/99/71/720359971.db2.gz PEPMBGKFDANKHU-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO CCOc1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822985 720428954 /nfs/dbraw/zinc/42/89/54/720428954.db2.gz FXVCYGBLTKXVJU-MRXNPFEDSA-N 1 2 402.499 1.061 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1F)C2 ZINC001164827266 720430382 /nfs/dbraw/zinc/43/03/82/720430382.db2.gz SFUUSTSJNGMWMU-ZDUSSCGKSA-N 1 2 410.881 1.455 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(N)cc(Cl)n1)C2 ZINC001164823450 720445999 /nfs/dbraw/zinc/44/59/99/720445999.db2.gz KBIQXMFJMDHOOF-CQSZACIVSA-N 1 2 406.918 1.503 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc3cccnc3n1)C2 ZINC001164822290 720447287 /nfs/dbraw/zinc/44/72/87/720447287.db2.gz CJKLVRNWLFTMNF-INIZCTEOSA-N 1 2 409.494 1.211 20 0 HDADLO COc1cc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164822361 720448427 /nfs/dbraw/zinc/44/84/27/720448427.db2.gz DDYQIYOWQOXTMJ-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(N)cc1Cl)C2 ZINC001164822472 720453276 /nfs/dbraw/zinc/45/32/76/720453276.db2.gz FVJWHEYPGKKBPX-CQSZACIVSA-N 1 2 406.918 1.503 20 0 HDADLO Cc1nc(Cl)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831214 720456268 /nfs/dbraw/zinc/45/62/68/720456268.db2.gz NSLYACKRXUESDM-HNNXBMFYSA-N 1 2 406.918 1.625 20 0 HDADLO COc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164832293 720462910 /nfs/dbraw/zinc/46/29/10/720462910.db2.gz SUCKFLHRNWINEG-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)c(F)cc1N)C2 ZINC001164833051 720465943 /nfs/dbraw/zinc/46/59/43/720465943.db2.gz XLFJGFVNAYUKKK-CYBMUJFWSA-N 1 2 424.908 1.642 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164858743 720895818 /nfs/dbraw/zinc/89/58/18/720895818.db2.gz OOMSPZFSFLUCNX-UHFFFAOYSA-N 1 2 407.812 1.887 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@@H](F)Oc1cncc(Cl)n1)C2 ZINC001164858659 720896603 /nfs/dbraw/zinc/89/66/03/720896603.db2.gz NBHRTYVIARXDBP-QGZVFWFLSA-N 1 2 405.821 1.469 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc(S(C)(=O)=O)n4)C[C@H]3C2)cn1 ZINC001164771560 721071051 /nfs/dbraw/zinc/07/10/51/721071051.db2.gz SATOQEVSVCDUMK-ZIAGYGMSSA-N 1 2 410.931 1.225 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc(S(C)(=O)=O)n4)C[C@H]3C2)cn1 ZINC001164771560 721071057 /nfs/dbraw/zinc/07/10/57/721071057.db2.gz SATOQEVSVCDUMK-ZIAGYGMSSA-N 1 2 410.931 1.225 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ccc4S(C)(=O)=O)C[C@H]3C2)cn1 ZINC001164766930 721186862 /nfs/dbraw/zinc/18/68/62/721186862.db2.gz JPHRODQYAISSTM-LSDHHAIUSA-N 1 2 409.943 1.830 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)ccc4S(C)(=O)=O)C[C@H]3C2)cn1 ZINC001164766930 721186873 /nfs/dbraw/zinc/18/68/73/721186873.db2.gz JPHRODQYAISSTM-LSDHHAIUSA-N 1 2 409.943 1.830 20 0 HDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781475 721424140 /nfs/dbraw/zinc/42/41/40/721424140.db2.gz DQJGTNXESHSDSB-ZUKSIGSZSA-N 1 2 421.548 1.415 20 0 HDADLO CN1CCN(c2nccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)CC1 ZINC001164802623 721585293 /nfs/dbraw/zinc/58/52/93/721585293.db2.gz HHHACGHNZBVYCQ-URVUXULASA-N 1 2 423.565 1.492 20 0 HDADLO CN1CCN(c2nccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)CC1 ZINC001164802623 721585295 /nfs/dbraw/zinc/58/52/95/721585295.db2.gz HHHACGHNZBVYCQ-URVUXULASA-N 1 2 423.565 1.492 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(S(N)(=O)=O)cc1Cl)C2 ZINC001165011468 721701138 /nfs/dbraw/zinc/70/11/38/721701138.db2.gz TZGOASXHBMWONC-UHFFFAOYSA-N 1 2 413.935 1.224 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(S(N)(=O)=O)cc1Cl)C2 ZINC001165011468 721701141 /nfs/dbraw/zinc/70/11/41/721701141.db2.gz TZGOASXHBMWONC-UHFFFAOYSA-N 1 2 413.935 1.224 20 0 HDADLO COC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164913284 721778933 /nfs/dbraw/zinc/77/89/33/721778933.db2.gz VPZMLYSVYPAXOD-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164913284 721778936 /nfs/dbraw/zinc/77/89/36/721778936.db2.gz VPZMLYSVYPAXOD-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO Cc1nc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2n1C ZINC001164916721 721782683 /nfs/dbraw/zinc/78/26/83/721782683.db2.gz STPGRXPPXHEBBC-JOCHJYFZSA-N 1 2 408.506 1.780 20 0 HDADLO Cc1nc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2n1C ZINC001164916721 721782686 /nfs/dbraw/zinc/78/26/86/721782686.db2.gz STPGRXPPXHEBBC-JOCHJYFZSA-N 1 2 408.506 1.780 20 0 HDADLO c1cn(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cn1 ZINC001164917676 721789001 /nfs/dbraw/zinc/78/90/01/721789001.db2.gz YUISNHNYMDOBTR-NRFANRHFSA-N 1 2 407.478 1.165 20 0 HDADLO c1cn(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cn1 ZINC001164917676 721789004 /nfs/dbraw/zinc/78/90/04/721789004.db2.gz YUISNHNYMDOBTR-NRFANRHFSA-N 1 2 407.478 1.165 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cncc(N5CCCC5)n4)CCO3)C2)c1 ZINC001164915225 721790664 /nfs/dbraw/zinc/79/06/64/721790664.db2.gz KLWDWVIQGPEFSQ-QFIPXVFZSA-N 1 2 410.522 1.580 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cncc(N5CCCC5)n4)CCO3)C2)c1 ZINC001164915225 721790666 /nfs/dbraw/zinc/79/06/66/721790666.db2.gz KLWDWVIQGPEFSQ-QFIPXVFZSA-N 1 2 410.522 1.580 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC001164917631 721812557 /nfs/dbraw/zinc/81/25/57/721812557.db2.gz OEHURBZSCAYPQL-UHFFFAOYSA-N 1 2 410.522 1.500 20 0 HDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045485 721958824 /nfs/dbraw/zinc/95/88/24/721958824.db2.gz VKPZAWUUOGTOFF-LJAQVGFWSA-N 1 2 418.519 1.592 20 0 HDADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]21 ZINC001164947630 721960749 /nfs/dbraw/zinc/96/07/49/721960749.db2.gz QGHBVJFCTJEUID-ZWKOTPCHSA-N 1 2 416.551 1.724 20 0 HDADLO CCOC(=O)c1cncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949308 721968531 /nfs/dbraw/zinc/96/85/31/721968531.db2.gz WRSUMBFFVXNDTP-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1cncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949308 721968534 /nfs/dbraw/zinc/96/85/34/721968534.db2.gz WRSUMBFFVXNDTP-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO NC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946720 721971517 /nfs/dbraw/zinc/97/15/17/721971517.db2.gz VONZPDHHZOBKHN-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO NC(=O)c1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946720 721971521 /nfs/dbraw/zinc/97/15/21/721971521.db2.gz VONZPDHHZOBKHN-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO CON(C)C(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945893 721976777 /nfs/dbraw/zinc/97/67/77/721976777.db2.gz GZXSOQDNQFGXDV-UHFFFAOYSA-N 1 2 423.517 1.686 20 0 HDADLO CON(C)C(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945893 721976781 /nfs/dbraw/zinc/97/67/81/721976781.db2.gz GZXSOQDNQFGXDV-UHFFFAOYSA-N 1 2 423.517 1.686 20 0 HDADLO CON(C)C(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164949393 721980185 /nfs/dbraw/zinc/98/01/85/721980185.db2.gz PEERTXRATBTQIX-UHFFFAOYSA-N 1 2 423.517 1.686 20 0 HDADLO CON(C)C(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164949393 721980186 /nfs/dbraw/zinc/98/01/86/721980186.db2.gz PEERTXRATBTQIX-UHFFFAOYSA-N 1 2 423.517 1.686 20 0 HDADLO NC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(C2CC2)n1 ZINC001164947440 721981843 /nfs/dbraw/zinc/98/18/43/721981843.db2.gz HJSFIXQSELOITL-UHFFFAOYSA-N 1 2 420.517 1.424 20 0 HDADLO NC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(C2CC2)n1 ZINC001164947440 721981845 /nfs/dbraw/zinc/98/18/45/721981845.db2.gz HJSFIXQSELOITL-UHFFFAOYSA-N 1 2 420.517 1.424 20 0 HDADLO CCS(=O)(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971745 722158788 /nfs/dbraw/zinc/15/87/88/722158788.db2.gz FCOWJZGOTGXBJX-UYAOXDASSA-N 1 2 416.547 1.998 20 0 HDADLO CCS(=O)(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971745 722158789 /nfs/dbraw/zinc/15/87/89/722158789.db2.gz FCOWJZGOTGXBJX-UYAOXDASSA-N 1 2 416.547 1.998 20 0 HDADLO CS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429042770 1073455950 /nfs/dbraw/zinc/45/59/50/1073455950.db2.gz RHCZNTATHVGFNU-OALUTQOASA-N 1 2 409.552 1.496 20 0 HDADLO CS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429042770 1073455958 /nfs/dbraw/zinc/45/59/58/1073455958.db2.gz RHCZNTATHVGFNU-OALUTQOASA-N 1 2 409.552 1.496 20 0 HDADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C[C@H]1O ZINC000509072312 1073461628 /nfs/dbraw/zinc/46/16/28/1073461628.db2.gz SVVHGEHNCRDPFZ-MAUKXSAKSA-N 1 2 409.552 1.891 20 0 HDADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C[C@H]1O ZINC000509072312 1073461632 /nfs/dbraw/zinc/46/16/32/1073461632.db2.gz SVVHGEHNCRDPFZ-MAUKXSAKSA-N 1 2 409.552 1.891 20 0 HDADLO CC(=O)N1CCc2cc(S(=O)(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc21 ZINC000014098804 1073483319 /nfs/dbraw/zinc/48/33/19/1073483319.db2.gz BFVUFTVSXVGBPP-HUUCEWRRSA-N 1 2 409.552 1.762 20 0 HDADLO NS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc21 ZINC000673644353 1073493813 /nfs/dbraw/zinc/49/38/13/1073493813.db2.gz HZZQSXWVABGBFU-QGZVFWFLSA-N 1 2 401.492 1.251 20 0 HDADLO NS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc21 ZINC000673644353 1073493821 /nfs/dbraw/zinc/49/38/21/1073493821.db2.gz HZZQSXWVABGBFU-QGZVFWFLSA-N 1 2 401.492 1.251 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000671397106 1073495217 /nfs/dbraw/zinc/49/52/17/1073495217.db2.gz QVNJAWYWVSMQEL-UHFFFAOYSA-N 1 2 414.456 1.745 20 0 HDADLO Cc1occc1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000671407841 1073530607 /nfs/dbraw/zinc/53/06/07/1073530607.db2.gz HKFASLWPTYJFPA-UHFFFAOYSA-N 1 2 401.463 1.232 20 0 HDADLO CCOC1CC(CNC(=O)[C@@H](C)n2ccc3ccccc3c2=O)([NH+]2CCOCC2)C1 ZINC000509109341 1073549822 /nfs/dbraw/zinc/54/98/22/1073549822.db2.gz ITXCIHFPMWGYPT-IMHYJWESSA-N 1 2 413.518 1.949 20 0 HDADLO Cc1c[nH+]c2cc(C(=O)N3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H]3C[C@@H]5O[C@H]3[C@H]3C[C@H]35)C4)ccn12 ZINC001004705573 1073554909 /nfs/dbraw/zinc/55/49/09/1073554909.db2.gz NIPMTJVEZUMFMD-AOWZDQAKSA-N 1 2 406.486 1.928 20 0 HDADLO Cc1nc(SCC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000673658096 1073598388 /nfs/dbraw/zinc/59/83/88/1073598388.db2.gz BOLCWUWGYZJVCS-UHFFFAOYSA-N 1 2 417.539 1.054 20 0 HDADLO Cc1nnc(SCC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)[nH]1 ZINC000673658096 1073598398 /nfs/dbraw/zinc/59/83/98/1073598398.db2.gz BOLCWUWGYZJVCS-UHFFFAOYSA-N 1 2 417.539 1.054 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2noc(-c3cccc(F)c3)n2)CC1 ZINC000673669352 1073622443 /nfs/dbraw/zinc/62/24/43/1073622443.db2.gz JHYYHYQNUNSCQM-UHFFFAOYSA-N 1 2 403.458 1.892 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2noc(-c3cccc(F)c3)n2)CC1 ZINC000673669352 1073622444 /nfs/dbraw/zinc/62/24/44/1073622444.db2.gz JHYYHYQNUNSCQM-UHFFFAOYSA-N 1 2 403.458 1.892 20 0 HDADLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000673710408 1073650152 /nfs/dbraw/zinc/65/01/52/1073650152.db2.gz ZPTDOVUPNAOYJC-FSSWDIPSSA-N 1 2 416.566 1.873 20 0 HDADLO Cc1cccn2cc(CCNC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)[nH+]c12 ZINC000673727028 1073657767 /nfs/dbraw/zinc/65/77/67/1073657767.db2.gz QFVHUHWSFDBBMD-UHFFFAOYSA-N 1 2 417.469 1.373 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000509129180 1073679987 /nfs/dbraw/zinc/67/99/87/1073679987.db2.gz UWWLIMADKNDIAP-QFIPXVFZSA-N 1 2 407.474 1.952 20 0 HDADLO CN1C(=O)CO[C@H](C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccnc1 ZINC001168741616 1073689423 /nfs/dbraw/zinc/68/94/23/1073689423.db2.gz FKMAZASINYCDRN-SXLOBPIMSA-N 1 2 414.893 1.806 20 0 HDADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673770903 1073704447 /nfs/dbraw/zinc/70/44/47/1073704447.db2.gz WFFDIHZFXFEPOP-UHFFFAOYSA-N 1 2 415.519 1.771 20 0 HDADLO CC[C@@H](C)[C@@H](NC(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126853 1073705639 /nfs/dbraw/zinc/70/56/39/1073705639.db2.gz KWIVDBGAABYWRC-AUUYWEPGSA-N 1 2 424.567 1.660 20 0 HDADLO CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126853 1073705644 /nfs/dbraw/zinc/70/56/44/1073705644.db2.gz KWIVDBGAABYWRC-AUUYWEPGSA-N 1 2 424.567 1.660 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCc3ccccc3S(=O)(=O)N(C)C)[nH+]c12 ZINC000673769955 1073714247 /nfs/dbraw/zinc/71/42/47/1073714247.db2.gz NOFBMJNZJCIYCH-UHFFFAOYSA-N 1 2 415.519 1.935 20 0 HDADLO O=C(Nc1ccc(CN2CCCC2=O)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782030 1073719451 /nfs/dbraw/zinc/71/94/51/1073719451.db2.gz MQUDMMZTUVXFRA-LJQANCHMSA-N 1 2 414.506 1.071 20 0 HDADLO CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000673781941 1073719816 /nfs/dbraw/zinc/71/98/16/1073719816.db2.gz LAXNDVAQPNZBCL-OAHLLOKOSA-N 1 2 422.913 1.304 20 0 HDADLO O=C(Nc1ccccc1OC(F)(F)F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783019 1073722539 /nfs/dbraw/zinc/72/25/39/1073722539.db2.gz DTALKEHAPKTNPP-CYBMUJFWSA-N 1 2 401.385 1.847 20 0 HDADLO O=C(Nc1cccc(NC(=O)C2CC2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782988 1073722780 /nfs/dbraw/zinc/72/27/80/1073722780.db2.gz DOGCWXCFFWTHFH-SFHVURJKSA-N 1 2 400.479 1.297 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429133299 1073728357 /nfs/dbraw/zinc/72/83/57/1073728357.db2.gz YLDMTFGZJDLXNW-QGZVFWFLSA-N 1 2 417.554 1.695 20 0 HDADLO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000673785207 1073729322 /nfs/dbraw/zinc/72/93/22/1073729322.db2.gz YOLFGYNDJQIBBP-HNNXBMFYSA-N 1 2 408.886 1.560 20 0 HDADLO CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673785776 1073730734 /nfs/dbraw/zinc/73/07/34/1073730734.db2.gz ZGLYSCBSCZDTHG-IBGZPJMESA-N 1 2 416.522 1.933 20 0 HDADLO COC[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000673787830 1073741292 /nfs/dbraw/zinc/74/12/92/1073741292.db2.gz BEZRXQQPXZMUFB-QGZVFWFLSA-N 1 2 414.462 1.110 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)[nH+]c12 ZINC000673788110 1073743088 /nfs/dbraw/zinc/74/30/88/1073743088.db2.gz FWCRMWRYWVLAMM-CYBMUJFWSA-N 1 2 407.430 1.660 20 0 HDADLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)[nH+]c12 ZINC000673823702 1073767154 /nfs/dbraw/zinc/76/71/54/1073767154.db2.gz RSJRFBFPQRTTNU-UHFFFAOYSA-N 1 2 422.532 1.414 20 0 HDADLO CCN(C(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000029631997 1073845190 /nfs/dbraw/zinc/84/51/90/1073845190.db2.gz YDUBSTWUMSPGFP-QGZVFWFLSA-N 1 2 423.583 1.066 20 0 HDADLO CN(C)c1nc(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cs1 ZINC000673878814 1073852170 /nfs/dbraw/zinc/85/21/70/1073852170.db2.gz PPNGYEGDLIRGBG-KRWDZBQOSA-N 1 2 403.552 1.952 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766040910 1073873488 /nfs/dbraw/zinc/87/34/88/1073873488.db2.gz XERKQTVXYMZRSM-MRXNPFEDSA-N 1 2 405.561 1.418 20 0 HDADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000543503854 1073894161 /nfs/dbraw/zinc/89/41/61/1073894161.db2.gz QMGZZJIYPBAALR-ZNMIVQPWSA-N 1 2 415.581 1.551 20 0 HDADLO Cc1cc(N)nc(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[nH+]1 ZINC000029914021 1073894295 /nfs/dbraw/zinc/89/42/95/1073894295.db2.gz DNUNBJPEFFHOIX-GFCCVEGCSA-N 1 2 412.562 1.737 20 0 HDADLO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C(=O)N1CCC[C@H](O)C1 ZINC000670431472 1073926824 /nfs/dbraw/zinc/92/68/24/1073926824.db2.gz ZKGKJWOZLRBAHF-OALUTQOASA-N 1 2 413.543 1.947 20 0 HDADLO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C(=O)N1CCC[C@H](O)C1 ZINC000670431472 1073926825 /nfs/dbraw/zinc/92/68/25/1073926825.db2.gz ZKGKJWOZLRBAHF-OALUTQOASA-N 1 2 413.543 1.947 20 0 HDADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NCCN2C(=O)Cc3ccccc32)CCC(=O)N1C1CC1 ZINC000509185808 1073990189 /nfs/dbraw/zinc/99/01/89/1073990189.db2.gz PNMOBPLAGBKTSG-VGOFRKELSA-N 1 2 421.501 1.568 20 0 HDADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000543526369 1074005490 /nfs/dbraw/zinc/00/54/90/1074005490.db2.gz WKKJCYKJJDTUTH-UHFFFAOYSA-N 1 2 420.491 1.212 20 0 HDADLO O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527343 1074010072 /nfs/dbraw/zinc/01/00/72/1074010072.db2.gz RPCHHKJVSZFHKR-UHFFFAOYSA-N 1 2 412.421 1.709 20 0 HDADLO O=C(NCCN1CCc2ccccc2C1=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000466582975 1074020435 /nfs/dbraw/zinc/02/04/35/1074020435.db2.gz CVDLGXDTTZGXRS-UHFFFAOYSA-N 1 2 412.494 1.035 20 0 HDADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[NH+]1CCOCC1 ZINC000543532016 1074026190 /nfs/dbraw/zinc/02/61/90/1074026190.db2.gz JWZQIZHGMHRCHB-QGZVFWFLSA-N 1 2 406.531 1.585 20 0 HDADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000429197277 1074049008 /nfs/dbraw/zinc/04/90/08/1074049008.db2.gz OBLXFNWEXKMSEY-MNEFBYGVSA-N 1 2 413.522 1.398 20 0 HDADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013767 1074063021 /nfs/dbraw/zinc/06/30/21/1074063021.db2.gz QZPBCAQLLWRYGU-AUUYWEPGSA-N 1 2 405.495 1.967 20 0 HDADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674013767 1074063031 /nfs/dbraw/zinc/06/30/31/1074063031.db2.gz QZPBCAQLLWRYGU-AUUYWEPGSA-N 1 2 405.495 1.967 20 0 HDADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000543548222 1074063503 /nfs/dbraw/zinc/06/35/03/1074063503.db2.gz YJUCDNKFSMKRBJ-CYBMUJFWSA-N 1 2 421.440 1.980 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000674023757 1074081206 /nfs/dbraw/zinc/08/12/06/1074081206.db2.gz MYGXACCCXGOFIN-GFCCVEGCSA-N 1 2 415.002 1.921 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000674023356 1074081689 /nfs/dbraw/zinc/08/16/89/1074081689.db2.gz IQHQQZFYYVHDFJ-HNNXBMFYSA-N 1 2 408.973 1.860 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1F ZINC000674024240 1074084565 /nfs/dbraw/zinc/08/45/65/1074084565.db2.gz OHJZHAUMNOVBGZ-CQSZACIVSA-N 1 2 410.508 1.484 20 0 HDADLO CC(C)[C@H](NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000543554757 1074085267 /nfs/dbraw/zinc/08/52/67/1074085267.db2.gz YCQHDNFZXHJBJC-AVRDEDQJSA-N 1 2 403.523 1.678 20 0 HDADLO CC(C)[C@H](NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000543554757 1074085273 /nfs/dbraw/zinc/08/52/73/1074085273.db2.gz YCQHDNFZXHJBJC-AVRDEDQJSA-N 1 2 403.523 1.678 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000674022728 1074088137 /nfs/dbraw/zinc/08/81/37/1074088137.db2.gz APWQIQPVDSKRLL-HNNXBMFYSA-N 1 2 408.973 1.860 20 0 HDADLO CCOc1cc(NC2CCN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC2)ncn1 ZINC000466625426 1074149106 /nfs/dbraw/zinc/14/91/06/1074149106.db2.gz LSOAOIFMFKYMHS-INIZCTEOSA-N 1 2 413.526 1.955 20 0 HDADLO CCOc1cc(NC2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC2)ncn1 ZINC000466625426 1074149109 /nfs/dbraw/zinc/14/91/09/1074149109.db2.gz LSOAOIFMFKYMHS-INIZCTEOSA-N 1 2 413.526 1.955 20 0 HDADLO CC[C@H](C)[C@@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)C(=O)OC ZINC000032489570 1074169109 /nfs/dbraw/zinc/16/91/09/1074169109.db2.gz NRHDQGOPTBQMHR-HRAATJIYSA-N 1 2 419.522 1.279 20 0 HDADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cc(C)no3)CC2)c(OC)c1 ZINC000032491250 1074169756 /nfs/dbraw/zinc/16/97/56/1074169756.db2.gz ZQKNTYXNFOITRK-KRWDZBQOSA-N 1 2 419.478 1.336 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC000509218423 1074173947 /nfs/dbraw/zinc/17/39/47/1074173947.db2.gz OLVRXQQNOKMJAN-HZPDHXFCSA-N 1 2 417.597 1.820 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000509218423 1074173950 /nfs/dbraw/zinc/17/39/50/1074173950.db2.gz OLVRXQQNOKMJAN-HZPDHXFCSA-N 1 2 417.597 1.820 20 0 HDADLO CCOC1CC(CNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)([NH+]2CCOCC2)C1 ZINC001128616179 1074184893 /nfs/dbraw/zinc/18/48/93/1074184893.db2.gz HHAAPTGFPOBAPQ-FVYSKSNYSA-N 1 2 401.507 1.417 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000674198445 1074214850 /nfs/dbraw/zinc/21/48/50/1074214850.db2.gz SQIXJOKOINECFQ-INIZCTEOSA-N 1 2 424.505 1.142 20 0 HDADLO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202006 1074217108 /nfs/dbraw/zinc/21/71/08/1074217108.db2.gz JQWFCGYMPOTANJ-GOSISDBHSA-N 1 2 411.462 1.158 20 0 HDADLO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202640 1074218603 /nfs/dbraw/zinc/21/86/03/1074218603.db2.gz UPPYVCWKEQMBNR-INIZCTEOSA-N 1 2 413.478 1.786 20 0 HDADLO O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674204848 1074219400 /nfs/dbraw/zinc/21/94/00/1074219400.db2.gz VPZOOPYXJFSAAH-HNNXBMFYSA-N 1 2 423.395 1.977 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000429227682 1074283958 /nfs/dbraw/zinc/28/39/58/1074283958.db2.gz QEJWONQSEMRFSX-UHFFFAOYSA-N 1 2 404.554 1.072 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(Br)cc1F ZINC000674367955 1074296705 /nfs/dbraw/zinc/29/67/05/1074296705.db2.gz DMNNFUCHDHMIQN-OAHLLOKOSA-N 1 2 403.292 1.672 20 0 HDADLO Cc1ccc(Oc2ccc(NC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)nn1 ZINC000674384002 1074306864 /nfs/dbraw/zinc/30/68/64/1074306864.db2.gz PVSXLFWIWFQKMZ-KRWDZBQOSA-N 1 2 401.467 1.734 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000674392771 1074309385 /nfs/dbraw/zinc/30/93/85/1074309385.db2.gz GYEOASHIRAFRSF-HXUWFJFHSA-N 1 2 414.506 1.495 20 0 HDADLO COC[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000674399326 1074311124 /nfs/dbraw/zinc/31/11/24/1074311124.db2.gz YXMGIFJUAUDJTA-DLBZAZTESA-N 1 2 419.444 1.727 20 0 HDADLO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC(=O)N1C ZINC000509225250 1074332836 /nfs/dbraw/zinc/33/28/36/1074332836.db2.gz HDWCBQNHNLCYPR-XLIONFOSSA-N 1 2 410.522 1.879 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1 ZINC000674440251 1074338465 /nfs/dbraw/zinc/33/84/65/1074338465.db2.gz PBIMSPPPNLUUMP-JLHGSKIFSA-N 1 2 424.505 1.724 20 0 HDADLO O=C(NCC1(c2ccccc2Br)CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000509226984 1074346722 /nfs/dbraw/zinc/34/67/22/1074346722.db2.gz XRANBCXWCBKYTE-ZDUSSCGKSA-N 1 2 417.307 1.925 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674470571 1074369602 /nfs/dbraw/zinc/36/96/02/1074369602.db2.gz ZCBAZHMOLZEBDT-HKUYNNGSSA-N 1 2 400.479 1.231 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674470571 1074369610 /nfs/dbraw/zinc/36/96/10/1074369610.db2.gz ZCBAZHMOLZEBDT-HKUYNNGSSA-N 1 2 400.479 1.231 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3cc(OC)ccc3OC)CCN2C1=O ZINC000674473434 1074370532 /nfs/dbraw/zinc/37/05/32/1074370532.db2.gz UDYYKOYJCVZVMD-ZQIUZPCESA-N 1 2 418.494 1.238 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3cc(OC)ccc3OC)CCN2C1=O ZINC000674473434 1074370538 /nfs/dbraw/zinc/37/05/38/1074370538.db2.gz UDYYKOYJCVZVMD-ZQIUZPCESA-N 1 2 418.494 1.238 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000674501024 1074394285 /nfs/dbraw/zinc/39/42/85/1074394285.db2.gz GRXDCWHMDXZCML-AWEZNQCLSA-N 1 2 414.384 1.170 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000674501024 1074394297 /nfs/dbraw/zinc/39/42/97/1074394297.db2.gz GRXDCWHMDXZCML-AWEZNQCLSA-N 1 2 414.384 1.170 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)CC34CC5CC(CC(C5)C3)C4)CCN2C1=O ZINC000674501027 1074394930 /nfs/dbraw/zinc/39/49/30/1074394930.db2.gz GTBIFDQYOCJQDX-XDHFQJGLSA-N 1 2 402.539 1.630 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)CC34CC5CC(CC(C5)C3)C4)CCN2C1=O ZINC000674501027 1074394936 /nfs/dbraw/zinc/39/49/36/1074394936.db2.gz GTBIFDQYOCJQDX-XDHFQJGLSA-N 1 2 402.539 1.630 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674500781 1074395057 /nfs/dbraw/zinc/39/50/57/1074395057.db2.gz GBFMFQMVLIBKME-RISCZKNCSA-N 1 2 409.284 1.744 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674500781 1074395065 /nfs/dbraw/zinc/39/50/65/1074395065.db2.gz GBFMFQMVLIBKME-RISCZKNCSA-N 1 2 409.284 1.744 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674502290 1074397055 /nfs/dbraw/zinc/39/70/55/1074397055.db2.gz SBYKSPJBIANVPN-YOEHRIQHSA-N 1 2 413.478 1.109 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674502290 1074397064 /nfs/dbraw/zinc/39/70/64/1074397064.db2.gz SBYKSPJBIANVPN-YOEHRIQHSA-N 1 2 413.478 1.109 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000674502549 1074399537 /nfs/dbraw/zinc/39/95/37/1074399537.db2.gz ZRMQAGKLFNHJKZ-CQSZACIVSA-N 1 2 413.305 1.620 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000674502549 1074399544 /nfs/dbraw/zinc/39/95/44/1074399544.db2.gz ZRMQAGKLFNHJKZ-CQSZACIVSA-N 1 2 413.305 1.620 20 0 HDADLO Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001626100190 1074409244 /nfs/dbraw/zinc/40/92/44/1074409244.db2.gz FHZXKLMWUDIMAV-UHFFFAOYSA-N 1 2 413.522 1.433 20 0 HDADLO C[C@@H](c1cccc(NC(=O)N(C)CCN2CCCS2(=O)=O)c1)[NH+]1CCOCC1 ZINC000674564731 1074441519 /nfs/dbraw/zinc/44/15/19/1074441519.db2.gz KUWODJGTRYWKLZ-INIZCTEOSA-N 1 2 410.540 1.579 20 0 HDADLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(S(=O)(=O)c3cccc4c3OCO4)CC2)no1 ZINC000509231497 1074487040 /nfs/dbraw/zinc/48/70/40/1074487040.db2.gz FVGIWAYPZAEBKL-AWEZNQCLSA-N 1 2 408.480 1.782 20 0 HDADLO Cc1nc(C[N@H+](C)[C@H]2CCCN(S(=O)(=O)c3cccc4c3OCO4)CC2)no1 ZINC000509231497 1074487043 /nfs/dbraw/zinc/48/70/43/1074487043.db2.gz FVGIWAYPZAEBKL-AWEZNQCLSA-N 1 2 408.480 1.782 20 0 HDADLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cncc(-n4cncn4)n3)CC2)cs1 ZINC000674649386 1074496548 /nfs/dbraw/zinc/49/65/48/1074496548.db2.gz YTVNNHDQASYUKO-AWEZNQCLSA-N 1 2 400.512 1.934 20 0 HDADLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cncc(-n4cncn4)n3)CC2)cs1 ZINC000674649386 1074496551 /nfs/dbraw/zinc/49/65/51/1074496551.db2.gz YTVNNHDQASYUKO-AWEZNQCLSA-N 1 2 400.512 1.934 20 0 HDADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000429236209 1074499180 /nfs/dbraw/zinc/49/91/80/1074499180.db2.gz LOVSRSZKVFFEEK-QGZVFWFLSA-N 1 2 414.481 1.914 20 0 HDADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000429236209 1074499185 /nfs/dbraw/zinc/49/91/85/1074499185.db2.gz LOVSRSZKVFFEEK-QGZVFWFLSA-N 1 2 414.481 1.914 20 0 HDADLO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000674690291 1074529881 /nfs/dbraw/zinc/52/98/81/1074529881.db2.gz QLFTYXOCMNDIJG-QZTJIDSGSA-N 1 2 406.552 1.162 20 0 HDADLO O=c1[nH]c(CN(CCO)CC[NH+]2CCOCC2)nc2cc(C(F)(F)F)ccc12 ZINC000674756373 1074549036 /nfs/dbraw/zinc/54/90/36/1074549036.db2.gz XJBRFSMTOJLHDR-UHFFFAOYSA-N 1 2 400.401 1.481 20 0 HDADLO CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000674819818 1074585076 /nfs/dbraw/zinc/58/50/76/1074585076.db2.gz DDVJKYMXDXNANK-PMACEKPBSA-N 1 2 414.550 1.424 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCO[C@H]([C@H]4CCCO4)C3)CC2)cc1 ZINC000674911493 1074616788 /nfs/dbraw/zinc/61/67/88/1074616788.db2.gz GHOTVAPRWMBCRQ-RTWAWAEBSA-N 1 2 403.523 1.219 20 0 HDADLO O=C(C[NH+]1CCC(NC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1)Nc1ccccc1 ZINC000674919217 1074621272 /nfs/dbraw/zinc/62/12/72/1074621272.db2.gz YFGGISLRNJFXTO-WOJBJXKFSA-N 1 2 416.522 1.679 20 0 HDADLO Cc1c[nH+]c(N2CCO[C@H]([C@@H]3CCCO3)C2)nc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674935339 1074637326 /nfs/dbraw/zinc/63/73/26/1074637326.db2.gz PPELYAOCRRIHIN-XWSJACJDSA-N 1 2 404.511 1.553 20 0 HDADLO CC(C)c1nnc2c(N[C@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)nccn21 ZINC000489559498 1074695846 /nfs/dbraw/zinc/69/58/46/1074695846.db2.gz KUWVSSFEYIQADY-INIZCTEOSA-N 1 2 423.525 1.955 20 0 HDADLO CC(C)c1nnc2c(N[C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)nccn21 ZINC000489559498 1074695855 /nfs/dbraw/zinc/69/58/55/1074695855.db2.gz KUWVSSFEYIQADY-INIZCTEOSA-N 1 2 423.525 1.955 20 0 HDADLO O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670490924 1074698064 /nfs/dbraw/zinc/69/80/64/1074698064.db2.gz ZWHFCKQGYXSRLQ-HNNXBMFYSA-N 1 2 400.306 1.933 20 0 HDADLO O=C(NCCCCOc1ccc(F)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438315156 1074722616 /nfs/dbraw/zinc/72/26/16/1074722616.db2.gz KOUXLUKIJHAWRP-UHFFFAOYSA-N 1 2 405.474 2.335 20 0 HDADLO COCCc1noc(CN(C)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)n1 ZINC000675158075 1074747408 /nfs/dbraw/zinc/74/74/08/1074747408.db2.gz QLWMPNCAUOREND-UHFFFAOYSA-N 1 2 416.482 1.310 20 0 HDADLO COCC[NH+]1CCN(C(=O)C(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000509239785 1074751721 /nfs/dbraw/zinc/75/17/21/1074751721.db2.gz MBEIUFOQNOIZCO-UHFFFAOYSA-N 1 2 424.339 1.388 20 0 HDADLO O=C(c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675217954 1074759680 /nfs/dbraw/zinc/75/96/80/1074759680.db2.gz BAGTVHLJFLRLKC-SJORKVTESA-N 1 2 413.474 1.008 20 0 HDADLO O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000675218617 1074761039 /nfs/dbraw/zinc/76/10/39/1074761039.db2.gz QEXOPLLTLWWFKK-UXHICEINSA-N 1 2 415.534 1.627 20 0 HDADLO COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000675219872 1074761840 /nfs/dbraw/zinc/76/18/40/1074761840.db2.gz QYTZQCPRAOKBJM-GDBMZVCRSA-N 1 2 407.898 1.635 20 0 HDADLO CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc(C(C)C)nc21 ZINC000675219421 1074762390 /nfs/dbraw/zinc/76/23/90/1074762390.db2.gz UOOPFMDFCASSTF-AWEZNQCLSA-N 1 2 415.494 1.187 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)ccc1C ZINC000675251580 1074770809 /nfs/dbraw/zinc/77/08/09/1074770809.db2.gz FLINXJYZPGFFQC-QGZVFWFLSA-N 1 2 405.524 1.721 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)ccc1C ZINC000675251580 1074770817 /nfs/dbraw/zinc/77/08/17/1074770817.db2.gz FLINXJYZPGFFQC-QGZVFWFLSA-N 1 2 405.524 1.721 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000675267985 1074777036 /nfs/dbraw/zinc/77/70/36/1074777036.db2.gz UITKIYQTIOWNKP-OAQYLSRUSA-N 1 2 424.549 1.778 20 0 HDADLO CCOc1ccccc1C(=O)N[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000675281186 1074785015 /nfs/dbraw/zinc/78/50/15/1074785015.db2.gz PFEHZOCHDXQPGI-XLIONFOSSA-N 1 2 403.523 1.773 20 0 HDADLO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280366 1074785628 /nfs/dbraw/zinc/78/56/28/1074785628.db2.gz CXTPAHINBLJCTP-GHTZIAJQSA-N 1 2 412.534 1.784 20 0 HDADLO O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000675281458 1074786574 /nfs/dbraw/zinc/78/65/74/1074786574.db2.gz RLZSGCCAHMRSAV-AZUAARDMSA-N 1 2 403.498 1.540 20 0 HDADLO O=C(CN1C[C@@H](CO)Oc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000675307905 1074796524 /nfs/dbraw/zinc/79/65/24/1074796524.db2.gz XRDCOMDRIIDRPN-FQEVSTJZSA-N 1 2 423.513 1.526 20 0 HDADLO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675326169 1074799946 /nfs/dbraw/zinc/79/99/46/1074799946.db2.gz KEVWOJBNMBSTAG-SJORKVTESA-N 1 2 415.881 1.622 20 0 HDADLO CCC1(CC)CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCS1(=O)=O ZINC000429330261 1074808531 /nfs/dbraw/zinc/80/85/31/1074808531.db2.gz CJWVFPNQAYSFCV-UHFFFAOYSA-N 1 2 410.540 1.668 20 0 HDADLO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000766108855 1074815019 /nfs/dbraw/zinc/81/50/19/1074815019.db2.gz QDIBCZFYZFKCQA-AWEZNQCLSA-N 1 2 409.535 1.281 20 0 HDADLO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000766108855 1074815030 /nfs/dbraw/zinc/81/50/30/1074815030.db2.gz QDIBCZFYZFKCQA-AWEZNQCLSA-N 1 2 409.535 1.281 20 0 HDADLO CCCCC1CCC(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448505250 1074815661 /nfs/dbraw/zinc/81/56/61/1074815661.db2.gz NALODZCUCKBAKB-UHFFFAOYSA-N 1 2 419.570 2.267 20 0 HDADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccn(CCN2CCOCC2)n1 ZINC000565270170 1074816037 /nfs/dbraw/zinc/81/60/37/1074816037.db2.gz OEFDDVJOOWFDSC-UHFFFAOYSA-N 1 2 409.494 1.782 20 0 HDADLO Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCc4[nH+]c(C(C)C)[nH]c4C3)CC2)no1 ZINC000474431390 1075114128 /nfs/dbraw/zinc/11/41/28/1075114128.db2.gz HSFQKDMGDLARCR-OAHLLOKOSA-N 1 2 414.510 1.717 20 0 HDADLO Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCc4[nH]c(C(C)C)[nH+]c4C3)CC2)no1 ZINC000474431390 1075114132 /nfs/dbraw/zinc/11/41/32/1075114132.db2.gz HSFQKDMGDLARCR-OAHLLOKOSA-N 1 2 414.510 1.717 20 0 HDADLO Cc1cc(NC(=O)CSCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000497789630 1075132016 /nfs/dbraw/zinc/13/20/16/1075132016.db2.gz IPAFKPSVQVHMMI-QGZVFWFLSA-N 1 2 418.519 1.672 20 0 HDADLO Cc1cc(NC(=O)CSCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000497789630 1075132021 /nfs/dbraw/zinc/13/20/21/1075132021.db2.gz IPAFKPSVQVHMMI-QGZVFWFLSA-N 1 2 418.519 1.672 20 0 HDADLO O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675423947 1075139416 /nfs/dbraw/zinc/13/94/16/1075139416.db2.gz XMYBLIFOHYOZBW-UXHICEINSA-N 1 2 423.517 1.397 20 0 HDADLO CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000517522131 1075140498 /nfs/dbraw/zinc/14/04/98/1075140498.db2.gz PCVMIZGOWCDUMX-UHFFFAOYSA-N 1 2 406.508 1.651 20 0 HDADLO COCCCC[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000509246656 1075148645 /nfs/dbraw/zinc/14/86/45/1075148645.db2.gz KDQULBIVXIMOFW-UHFFFAOYSA-N 1 2 417.915 1.404 20 0 HDADLO CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446747473 1075150064 /nfs/dbraw/zinc/15/00/64/1075150064.db2.gz DWBWKRYZDCRGBQ-IBGZPJMESA-N 1 2 413.522 1.681 20 0 HDADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000042384637 1075157538 /nfs/dbraw/zinc/15/75/38/1075157538.db2.gz MOQMWCUNESJHRO-GJZGRUSLSA-N 1 2 410.921 1.709 20 0 HDADLO COCCN(CCc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438312479 1075167752 /nfs/dbraw/zinc/16/77/52/1075167752.db2.gz PVHGELSONJDESI-UHFFFAOYSA-N 1 2 401.511 1.938 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000443905293 1075185776 /nfs/dbraw/zinc/18/57/76/1075185776.db2.gz XELLINXVGKVZQW-HXUWFJFHSA-N 1 2 413.522 2.119 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000443905291 1075186169 /nfs/dbraw/zinc/18/61/69/1075186169.db2.gz XELLINXVGKVZQW-FQEVSTJZSA-N 1 2 413.522 2.119 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000447073693 1075188948 /nfs/dbraw/zinc/18/89/48/1075188948.db2.gz XWQOXKXBSOVRGO-OAHLLOKOSA-N 1 2 420.464 1.894 20 0 HDADLO O=C(Nc1ccn(CCN2CCOCC2)n1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474700002 1075189921 /nfs/dbraw/zinc/18/99/21/1075189921.db2.gz YVOLUMWWKIFVPH-IBGZPJMESA-N 1 2 401.486 1.958 20 0 HDADLO O=C(Nc1ccn(CCN2CCOCC2)n1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474700002 1075189927 /nfs/dbraw/zinc/18/99/27/1075189927.db2.gz YVOLUMWWKIFVPH-IBGZPJMESA-N 1 2 401.486 1.958 20 0 HDADLO NC(=O)c1cccnc1N1CC[NH+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509348303 1075192289 /nfs/dbraw/zinc/19/22/89/1075192289.db2.gz MUQJJLWGDWZEFT-UHFFFAOYSA-N 1 2 408.550 1.515 20 0 HDADLO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3Cl)CC2)NC(=O)N[C@@H]1C ZINC000766165495 1075196550 /nfs/dbraw/zinc/19/65/50/1075196550.db2.gz TZUMIAKSOYETHM-CQSZACIVSA-N 1 2 406.914 1.976 20 0 HDADLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)on1 ZINC001005740717 1075201039 /nfs/dbraw/zinc/20/10/39/1075201039.db2.gz HDAHJQUITRHRQL-PVHWUHCKSA-N 1 2 402.495 1.656 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cn2cc(-c3ccccc3)nn2)CC1 ZINC000675550320 1075206486 /nfs/dbraw/zinc/20/64/86/1075206486.db2.gz SAYGIQGEFUTOES-UHFFFAOYSA-N 1 2 404.474 1.971 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675575422 1075209323 /nfs/dbraw/zinc/20/93/23/1075209323.db2.gz PZYOYSHINOGSRS-FXAWDEMLSA-N 1 2 410.584 1.285 20 0 HDADLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1c2ccccc2[nH+]c1NCCO ZINC000568316291 1075217227 /nfs/dbraw/zinc/21/72/27/1075217227.db2.gz UCSXBUBDZCCISG-UHFFFAOYSA-N 1 2 410.474 2.260 20 0 HDADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)no1 ZINC000518958552 1075221053 /nfs/dbraw/zinc/22/10/53/1075221053.db2.gz UHZAAZICZFMCPB-JKSUJKDBSA-N 1 2 410.540 1.757 20 0 HDADLO Cc1ccc2[nH+]cc(CN3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)n2c1 ZINC000509354835 1075222987 /nfs/dbraw/zinc/22/29/87/1075222987.db2.gz AKTUWVWAZSAWEW-IRXDYDNUSA-N 1 2 407.540 1.114 20 0 HDADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675594110 1075231867 /nfs/dbraw/zinc/23/18/67/1075231867.db2.gz ATFZEIAHXSGZIH-MRXNPFEDSA-N 1 2 403.508 1.237 20 0 HDADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675594110 1075231872 /nfs/dbraw/zinc/23/18/72/1075231872.db2.gz ATFZEIAHXSGZIH-MRXNPFEDSA-N 1 2 403.508 1.237 20 0 HDADLO CCNC(=O)N(C)c1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000433213812 1075240424 /nfs/dbraw/zinc/24/04/24/1075240424.db2.gz GPRXOGOYKVZMCE-UHFFFAOYSA-N 1 2 415.498 2.025 20 0 HDADLO CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000675610885 1075245068 /nfs/dbraw/zinc/24/50/68/1075245068.db2.gz SODJFCRUDSOQRR-QGZVFWFLSA-N 1 2 423.579 1.677 20 0 HDADLO CC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000675701757 1075256352 /nfs/dbraw/zinc/25/63/52/1075256352.db2.gz FCVLMBUCUAGMRK-MOPGFXCFSA-N 1 2 402.495 1.367 20 0 HDADLO O=C(c1cccc(F)c1)N1CCCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000642094007 1075265576 /nfs/dbraw/zinc/26/55/76/1075265576.db2.gz XGVAJAOMPIUQRX-UHFFFAOYSA-N 1 2 409.465 2.526 20 0 HDADLO CC(C)[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCCC1 ZINC000675797576 1075270381 /nfs/dbraw/zinc/27/03/81/1075270381.db2.gz QOMRJRFGVPXZCL-NRFANRHFSA-N 1 2 415.538 1.274 20 0 HDADLO CCOC(=O)Cc1nnc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000501250246 1075270707 /nfs/dbraw/zinc/27/07/07/1075270707.db2.gz KMENMCAHKKPFNH-HNNXBMFYSA-N 1 2 419.507 1.666 20 0 HDADLO CCOC(=O)Cc1nnc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000501250246 1075270709 /nfs/dbraw/zinc/27/07/09/1075270709.db2.gz KMENMCAHKKPFNH-HNNXBMFYSA-N 1 2 419.507 1.666 20 0 HDADLO Cc1nc([C@@H]2CCCCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000675802397 1075272882 /nfs/dbraw/zinc/27/28/82/1075272882.db2.gz NICHJZLAAAKBRB-KRWDZBQOSA-N 1 2 412.494 1.956 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675811402 1075275141 /nfs/dbraw/zinc/27/51/41/1075275141.db2.gz RULAOJXOUQEREG-YLJYHZDGSA-N 1 2 410.584 1.427 20 0 HDADLO O=S(=O)(CCNc1ccc(OC(F)F)cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000539844462 1075275582 /nfs/dbraw/zinc/27/55/82/1075275582.db2.gz YLXLQJKNDKWYQS-UHFFFAOYSA-N 1 2 413.450 1.642 20 0 HDADLO COCC[N@@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@H]1C ZINC000479097294 1075296456 /nfs/dbraw/zinc/29/64/56/1075296456.db2.gz KMFBMVZNSZCDSL-CYBMUJFWSA-N 1 2 402.322 1.831 20 0 HDADLO COCC[N@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@H]1C ZINC000479097294 1075296461 /nfs/dbraw/zinc/29/64/61/1075296461.db2.gz KMFBMVZNSZCDSL-CYBMUJFWSA-N 1 2 402.322 1.831 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731352983 1075315676 /nfs/dbraw/zinc/31/56/76/1075315676.db2.gz GBGPOVVANYKPNU-INIZCTEOSA-N 1 2 407.515 1.943 20 0 HDADLO Cc1cccc(C)c1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000804082146 1075350926 /nfs/dbraw/zinc/35/09/26/1075350926.db2.gz UVDJJVAAQNMWIM-UHFFFAOYSA-N 1 2 423.517 1.170 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3nc(-c4nccn4C)cs3)[nH+]c12 ZINC000676096605 1075358861 /nfs/dbraw/zinc/35/88/61/1075358861.db2.gz CRZMBZBVHZZQAB-UHFFFAOYSA-N 1 2 409.475 1.797 20 0 HDADLO O=C(NCCO)C1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000731480053 1075371218 /nfs/dbraw/zinc/37/12/18/1075371218.db2.gz JBBYOZGHRHXLAO-UHFFFAOYSA-N 1 2 423.311 1.743 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc4ncccc4c3)CC2)C[C@H](C)O1 ZINC000509386004 1075388541 /nfs/dbraw/zinc/38/85/41/1075388541.db2.gz KQTSIWVEYXSCRQ-CALCHBBNSA-N 1 2 404.536 1.706 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000731570647 1075390670 /nfs/dbraw/zinc/39/06/70/1075390670.db2.gz ZMUPTEKWPFTBBD-UHFFFAOYSA-N 1 2 421.491 1.804 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804092179 1075392101 /nfs/dbraw/zinc/39/21/01/1075392101.db2.gz SLDIKALJJBORIU-OAGGEKHMSA-N 1 2 419.526 1.688 20 0 HDADLO COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000466714592 1075395906 /nfs/dbraw/zinc/39/59/06/1075395906.db2.gz YEYBLGOYFQLZJS-AEFFLSMTSA-N 1 2 405.495 1.270 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000804090542 1075396357 /nfs/dbraw/zinc/39/63/57/1075396357.db2.gz KEQWGEHWAAJILA-ZACQAIPSSA-N 1 2 419.526 1.999 20 0 HDADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000509385130 1075407044 /nfs/dbraw/zinc/40/70/44/1075407044.db2.gz HDWLCBOTOHJWSG-IRXDYDNUSA-N 1 2 419.551 1.548 20 0 HDADLO COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)C2)c1 ZINC000804118027 1075414002 /nfs/dbraw/zinc/41/40/02/1075414002.db2.gz IUZLNEHVSPHDLP-SJORKVTESA-N 1 2 411.506 1.530 20 0 HDADLO COc1ccc(Br)c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731649389 1075428635 /nfs/dbraw/zinc/42/86/35/1075428635.db2.gz NUHFAKAAHBLHPH-UHFFFAOYSA-N 1 2 419.341 1.697 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000731649077 1075428999 /nfs/dbraw/zinc/42/89/99/1075428999.db2.gz WZKXREBVBDGYFW-UHFFFAOYSA-N 1 2 411.915 1.160 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000731650325 1075430814 /nfs/dbraw/zinc/43/08/14/1075430814.db2.gz CMZWGOYLIZTFQN-CQSZACIVSA-N 1 2 400.928 1.516 20 0 HDADLO CC(C)Cn1ncc2cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cnc21 ZINC000731650271 1075431771 /nfs/dbraw/zinc/43/17/71/1075431771.db2.gz NTBNNFAFIVJIFP-UHFFFAOYSA-N 1 2 407.540 1.326 20 0 HDADLO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731651212 1075433487 /nfs/dbraw/zinc/43/34/87/1075433487.db2.gz YUDOHXGFJOGBPD-KBXCAEBGSA-N 1 2 407.536 1.520 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2[nH]nc(C3CC3)c2Br)CC1 ZINC000731651102 1075434564 /nfs/dbraw/zinc/43/45/64/1075434564.db2.gz XUVDVHMLABYGMG-UHFFFAOYSA-N 1 2 419.345 1.288 20 0 HDADLO CC(=O)CCc1ccc(O[C@H](C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650589 1075436311 /nfs/dbraw/zinc/43/63/11/1075436311.db2.gz HJENCCUFDJIBSX-QGZVFWFLSA-N 1 2 424.563 1.601 20 0 HDADLO CCOC(=O)c1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731685804 1075447902 /nfs/dbraw/zinc/44/79/02/1075447902.db2.gz BVPAVHMJIUYJQR-UHFFFAOYSA-N 1 2 411.524 1.172 20 0 HDADLO COC(=O)c1cc(CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)oc1C ZINC000731685717 1075448950 /nfs/dbraw/zinc/44/89/50/1075448950.db2.gz DKLRAUKSWSRLSH-UHFFFAOYSA-N 1 2 415.512 1.025 20 0 HDADLO CN(CCOc1cccc(Cl)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686574 1075448962 /nfs/dbraw/zinc/44/89/62/1075448962.db2.gz ZZHXUJLWQKDLKY-UHFFFAOYSA-N 1 2 417.959 1.869 20 0 HDADLO CN(Cc1ccc2c(c1)OCCO2)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685763 1075448982 /nfs/dbraw/zinc/44/89/82/1075448982.db2.gz AACVXMBKYMCIRR-UHFFFAOYSA-N 1 2 411.524 1.108 20 0 HDADLO COc1ccc2c(c1)CCC[C@H]2CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000463957862 1075460774 /nfs/dbraw/zinc/46/07/74/1075460774.db2.gz HOIQMCFJCLWCFP-SFHVURJKSA-N 1 2 413.522 2.466 20 0 HDADLO COc1ccc([C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C2CC2)cc1 ZINC000731680416 1075462346 /nfs/dbraw/zinc/46/23/46/1075462346.db2.gz KZCYAHADYYNGTB-LJQANCHMSA-N 1 2 409.552 1.955 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCc2nc3ccccc3[nH]2)CC1 ZINC000731680915 1075464134 /nfs/dbraw/zinc/46/41/34/1075464134.db2.gz YNWGGDPLRQNQJR-UHFFFAOYSA-N 1 2 407.540 1.304 20 0 HDADLO CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1C ZINC000676271243 1075473954 /nfs/dbraw/zinc/47/39/54/1075473954.db2.gz DHHDJRNNALBECX-UHFFFAOYSA-N 1 2 400.483 1.315 20 0 HDADLO COc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)cc1Cl ZINC000731751176 1075507959 /nfs/dbraw/zinc/50/79/59/1075507959.db2.gz ACBOHXAADRHYSF-UHFFFAOYSA-N 1 2 419.931 1.988 20 0 HDADLO CCOC(=O)Nc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731752371 1075508237 /nfs/dbraw/zinc/50/82/37/1075508237.db2.gz BFJRCNWMDGJBGQ-UHFFFAOYSA-N 1 2 412.512 1.886 20 0 HDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731750874 1075508322 /nfs/dbraw/zinc/50/83/22/1075508322.db2.gz SJYNEMROKWGBBY-NVXWUHKLSA-N 1 2 418.494 1.805 20 0 HDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731750874 1075508328 /nfs/dbraw/zinc/50/83/28/1075508328.db2.gz SJYNEMROKWGBBY-NVXWUHKLSA-N 1 2 418.494 1.805 20 0 HDADLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731752481 1075508593 /nfs/dbraw/zinc/50/85/93/1075508593.db2.gz HCMKDDGDMBLLGG-UHFFFAOYSA-N 1 2 422.551 1.974 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000731751670 1075509080 /nfs/dbraw/zinc/50/90/80/1075509080.db2.gz YTIAERNNDDHYKR-UHFFFAOYSA-N 1 2 401.436 1.187 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000676313369 1075509356 /nfs/dbraw/zinc/50/93/56/1075509356.db2.gz SXDFFIKZDKGUKA-GOSISDBHSA-N 1 2 411.568 1.612 20 0 HDADLO Cc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1C(=O)NC(C)C ZINC000731755596 1075511166 /nfs/dbraw/zinc/51/11/66/1075511166.db2.gz CLWKQDAURSDJKB-UHFFFAOYSA-N 1 2 424.567 1.764 20 0 HDADLO CN(CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(=O)c1ccc(Br)o1 ZINC000676342928 1075515891 /nfs/dbraw/zinc/51/58/91/1075515891.db2.gz SOSRLNLKEAVSBX-LBPRGKRZSA-N 1 2 400.273 1.047 20 0 HDADLO O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676342501 1075516370 /nfs/dbraw/zinc/51/63/70/1075516370.db2.gz PZPLRBNXAZPVFU-RTBURBONSA-N 1 2 401.507 1.237 20 0 HDADLO COc1c[nH+]c(NCC(=O)NC2CCCCC2)nc1NCC(=O)NC1CCCCC1 ZINC000553339897 1075518596 /nfs/dbraw/zinc/51/85/96/1075518596.db2.gz ULFQVWGUWXIYNO-UHFFFAOYSA-N 1 2 418.542 2.207 20 0 HDADLO COc1c[nH+]c(NCc2nnc(C)n2C2CC2)nc1NCc1nnc(C)n1C1CC1 ZINC000580474328 1075518717 /nfs/dbraw/zinc/51/87/17/1075518717.db2.gz VGIZDVZJHPNHFU-UHFFFAOYSA-N 1 2 410.486 2.179 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000731765112 1075519212 /nfs/dbraw/zinc/51/92/12/1075519212.db2.gz OQWIVAZVPHUXMD-UHFFFAOYSA-N 1 2 422.334 1.557 20 0 HDADLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000731827155 1075525389 /nfs/dbraw/zinc/52/53/89/1075525389.db2.gz STIIHAGSJPLHPV-CQSZACIVSA-N 1 2 415.943 1.263 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)c2)cc[nH+]1 ZINC000544522335 1075536227 /nfs/dbraw/zinc/53/62/27/1075536227.db2.gz HHLBYAWXRJIFMD-GOSISDBHSA-N 1 2 417.535 1.941 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)c2)cc[nH+]1 ZINC000428680043 1075537236 /nfs/dbraw/zinc/53/72/36/1075537236.db2.gz BENAIUHIAKVMEJ-MRXNPFEDSA-N 1 2 421.423 2.538 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NCC3(S(C)(=O)=O)CCCC3)c2)cc[nH+]1 ZINC000553572569 1075538124 /nfs/dbraw/zinc/53/81/24/1075538124.db2.gz JAWRDWJDOTZUFV-UHFFFAOYSA-N 1 2 402.520 2.484 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000676423301 1075545667 /nfs/dbraw/zinc/54/56/67/1075545667.db2.gz NUERBLRBJOABKL-UHFFFAOYSA-N 1 2 409.490 1.618 20 0 HDADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000731840335 1075546060 /nfs/dbraw/zinc/54/60/60/1075546060.db2.gz XNKUUTPGNKSKSW-UHFFFAOYSA-N 1 2 412.899 1.525 20 0 HDADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000731873026 1075549012 /nfs/dbraw/zinc/54/90/12/1075549012.db2.gz KIFJVCBBJYDXDV-MRXNPFEDSA-N 1 2 418.567 1.385 20 0 HDADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000731873026 1075549016 /nfs/dbraw/zinc/54/90/16/1075549016.db2.gz KIFJVCBBJYDXDV-MRXNPFEDSA-N 1 2 418.567 1.385 20 0 HDADLO COCCCn1c(=O)[nH]nc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026342697 1075549710 /nfs/dbraw/zinc/54/97/10/1075549710.db2.gz KZEMTDZGHVARFL-UHFFFAOYSA-N 1 2 405.524 1.044 20 0 HDADLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000676478387 1075560124 /nfs/dbraw/zinc/56/01/24/1075560124.db2.gz NIKXOOANVKBLPW-RBUKOAKNSA-N 1 2 408.568 1.868 20 0 HDADLO NC(=O)c1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(-n2cc[nH+]c2)c1 ZINC001129217145 1075562267 /nfs/dbraw/zinc/56/22/67/1075562267.db2.gz SYCVDCLSZZTTTG-UHFFFAOYSA-N 1 2 419.441 1.696 20 0 HDADLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000676479061 1075566004 /nfs/dbraw/zinc/56/60/04/1075566004.db2.gz PHNILIHXVRKEEG-IRXDYDNUSA-N 1 2 422.576 1.797 20 0 HDADLO CCN(CC(=O)N1CCN(C(=O)C[N@H+](CC)Cc2ccoc2)CC1)Cc1ccoc1 ZINC000676479824 1075566411 /nfs/dbraw/zinc/56/64/11/1075566411.db2.gz QKEDRXPSEJZPKJ-UHFFFAOYSA-N 1 2 416.522 1.887 20 0 HDADLO CCN(CC(=O)N1CCN(C(=O)C[N@@H+](CC)Cc2ccoc2)CC1)Cc1ccoc1 ZINC000676479824 1075566413 /nfs/dbraw/zinc/56/64/13/1075566413.db2.gz QKEDRXPSEJZPKJ-UHFFFAOYSA-N 1 2 416.522 1.887 20 0 HDADLO COCCn1c(N)c(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2OC)c(=O)[nH]c1=O ZINC000676486379 1075568112 /nfs/dbraw/zinc/56/81/12/1075568112.db2.gz STNREAJOROICJE-OAHLLOKOSA-N 1 2 416.478 1.596 20 0 HDADLO COCCn1c(N)c(C(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2OC)c(=O)[nH]c1=O ZINC000676486379 1075568116 /nfs/dbraw/zinc/56/81/16/1075568116.db2.gz STNREAJOROICJE-OAHLLOKOSA-N 1 2 416.478 1.596 20 0 HDADLO COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@@H](CO)C3)[nH+]cn1)C[C@@H]2O ZINC000731919807 1075571508 /nfs/dbraw/zinc/57/15/08/1075571508.db2.gz AAFWSJLKYFRLHG-ZBFHGGJFSA-N 1 2 400.479 1.756 20 0 HDADLO COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@@H](CO)C3)nc[nH+]1)C[C@@H]2O ZINC000731919807 1075571512 /nfs/dbraw/zinc/57/15/12/1075571512.db2.gz AAFWSJLKYFRLHG-ZBFHGGJFSA-N 1 2 400.479 1.756 20 0 HDADLO COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@H](CO)C3)[nH+]cn1)C[C@@H]2O ZINC000731919806 1075571628 /nfs/dbraw/zinc/57/16/28/1075571628.db2.gz AAFWSJLKYFRLHG-HOCLYGCPSA-N 1 2 400.479 1.756 20 0 HDADLO COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@H](CO)C3)nc[nH+]1)C[C@@H]2O ZINC000731919806 1075571637 /nfs/dbraw/zinc/57/16/37/1075571637.db2.gz AAFWSJLKYFRLHG-HOCLYGCPSA-N 1 2 400.479 1.756 20 0 HDADLO Cc1onc(NC(=O)C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1C ZINC000550631732 1075580766 /nfs/dbraw/zinc/58/07/66/1075580766.db2.gz WXSYITZEYFSNIN-UHFFFAOYSA-N 1 2 420.267 2.307 20 0 HDADLO CC[C@@H]1C[N@H+](CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CCO1 ZINC000429445738 1075581137 /nfs/dbraw/zinc/58/11/37/1075581137.db2.gz IWNLKTHFQHJIDT-CQSZACIVSA-N 1 2 403.932 1.235 20 0 HDADLO CC[C@@H]1C[N@@H+](CCNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CCO1 ZINC000429445738 1075581143 /nfs/dbraw/zinc/58/11/43/1075581143.db2.gz IWNLKTHFQHJIDT-CQSZACIVSA-N 1 2 403.932 1.235 20 0 HDADLO CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000676543928 1075581779 /nfs/dbraw/zinc/58/17/79/1075581779.db2.gz CXMWTFDSJUFMID-INIZCTEOSA-N 1 2 415.494 1.430 20 0 HDADLO CC(=O)C(C)(C)CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000676529644 1075582763 /nfs/dbraw/zinc/58/27/63/1075582763.db2.gz YXVJLPHSCHRBPH-KRWDZBQOSA-N 1 2 403.527 1.794 20 0 HDADLO CC(=O)C(C)(C)CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000676529644 1075582766 /nfs/dbraw/zinc/58/27/66/1075582766.db2.gz YXVJLPHSCHRBPH-KRWDZBQOSA-N 1 2 403.527 1.794 20 0 HDADLO CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCc2ccccc21 ZINC000533320445 1075586269 /nfs/dbraw/zinc/58/62/69/1075586269.db2.gz VTNGKCKNQZUMRT-IBGZPJMESA-N 1 2 411.506 1.690 20 0 HDADLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1OCCc2sccc21 ZINC000432961301 1075589545 /nfs/dbraw/zinc/58/95/45/1075589545.db2.gz NWGQCSKKZDQBJR-RDTXWAMCSA-N 1 2 405.524 2.101 20 0 HDADLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1nccn1-c1ccccc1 ZINC000572671456 1075590022 /nfs/dbraw/zinc/59/00/22/1075590022.db2.gz FRAQIKOMLWJJTF-QGZVFWFLSA-N 1 2 409.494 2.284 20 0 HDADLO O=C(Nc1ccnn1CCc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676547491 1075594132 /nfs/dbraw/zinc/59/41/32/1075594132.db2.gz OJRRSKOUEBPHHJ-IBGZPJMESA-N 1 2 411.506 1.388 20 0 HDADLO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676560591 1075601497 /nfs/dbraw/zinc/60/14/97/1075601497.db2.gz ZIBQSEOTDXVIOD-HNNXBMFYSA-N 1 2 402.480 1.616 20 0 HDADLO C[C@H](CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)C[NH+]1CCOCC1 ZINC000543680286 1075617079 /nfs/dbraw/zinc/61/70/79/1075617079.db2.gz MWFHFYMFDDQVSC-OAHLLOKOSA-N 1 2 407.536 1.159 20 0 HDADLO COC1(CNC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCOCC1 ZINC000676622771 1075622485 /nfs/dbraw/zinc/62/24/85/1075622485.db2.gz HSANXLWLVXDDAA-MRXNPFEDSA-N 1 2 405.495 1.330 20 0 HDADLO CCOC1CCN(c2nc(N3CCOCC3)nc(N3CCC(OCC)CC3)[nH+]2)CC1 ZINC000676626970 1075623985 /nfs/dbraw/zinc/62/39/85/1075623985.db2.gz PKIYGUXFANYETE-UHFFFAOYSA-N 1 2 420.558 1.719 20 0 HDADLO CCOC1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCC(OCC)CC3)n2)CC1 ZINC000676626970 1075623989 /nfs/dbraw/zinc/62/39/89/1075623989.db2.gz PKIYGUXFANYETE-UHFFFAOYSA-N 1 2 420.558 1.719 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@@H](C)SCc2nc(N)nc(Nc3ccccc3C)n2)CC1 ZINC000583715742 1075627148 /nfs/dbraw/zinc/62/71/48/1075627148.db2.gz WCYYNURYRLFLLJ-OAHLLOKOSA-N 1 2 415.567 1.714 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000732121078 1075629642 /nfs/dbraw/zinc/62/96/42/1075629642.db2.gz AWICEWDUXRKZRI-UHFFFAOYSA-N 1 2 408.300 1.824 20 0 HDADLO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000732128177 1075631385 /nfs/dbraw/zinc/63/13/85/1075631385.db2.gz UACIPGXKPYNIAZ-HNNXBMFYSA-N 1 2 413.515 1.451 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(CN2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000471170389 1075641926 /nfs/dbraw/zinc/64/19/26/1075641926.db2.gz SFXHOXNYMRKTIF-UHFFFAOYSA-N 1 2 421.505 1.651 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732167435 1075648004 /nfs/dbraw/zinc/64/80/04/1075648004.db2.gz ZUTWRVNWUJWTIF-CQQBXOTJSA-N 1 2 408.502 1.514 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000732187593 1075653631 /nfs/dbraw/zinc/65/36/31/1075653631.db2.gz WWFGDFYBEGNHKQ-VGOFRKELSA-N 1 2 414.506 1.593 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000732187593 1075653634 /nfs/dbraw/zinc/65/36/34/1075653634.db2.gz WWFGDFYBEGNHKQ-VGOFRKELSA-N 1 2 414.506 1.593 20 0 HDADLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000732206399 1075664488 /nfs/dbraw/zinc/66/44/88/1075664488.db2.gz XTCJANBGDRILQZ-HZPDHXFCSA-N 1 2 424.567 1.252 20 0 HDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000732207904 1075664993 /nfs/dbraw/zinc/66/49/93/1075664993.db2.gz CMVABHNISBHTLS-WXHVSOMHSA-N 1 2 421.563 1.631 20 0 HDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000732207904 1075664997 /nfs/dbraw/zinc/66/49/97/1075664997.db2.gz CMVABHNISBHTLS-WXHVSOMHSA-N 1 2 421.563 1.631 20 0 HDADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000732215425 1075670613 /nfs/dbraw/zinc/67/06/13/1075670613.db2.gz AKFOKCTUPGSETQ-UHFFFAOYSA-N 1 2 422.511 1.237 20 0 HDADLO CCOC(=O)Cc1cccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000509432574 1075675385 /nfs/dbraw/zinc/67/53/85/1075675385.db2.gz RALHOUHMFUDHAR-SFHVURJKSA-N 1 2 410.536 1.525 20 0 HDADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732242765 1075678002 /nfs/dbraw/zinc/67/80/02/1075678002.db2.gz HYLNZUBZTDSQSM-SFHVURJKSA-N 1 2 421.523 1.160 20 0 HDADLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000141560421 1075685622 /nfs/dbraw/zinc/68/56/22/1075685622.db2.gz FYJRSRNLLGSGCY-GFCCVEGCSA-N 1 2 409.430 1.167 20 0 HDADLO CCCCNc1cc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)nc(N)[nH+]1 ZINC000557511316 1075692669 /nfs/dbraw/zinc/69/26/69/1075692669.db2.gz JAESLQAVYNQYSV-UHFFFAOYSA-N 1 2 403.531 1.211 20 0 HDADLO CCCCNc1cc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)[nH+]c(N)n1 ZINC000557511316 1075692673 /nfs/dbraw/zinc/69/26/73/1075692673.db2.gz JAESLQAVYNQYSV-UHFFFAOYSA-N 1 2 403.531 1.211 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[N@@H+]3CCC[C@H](c4cc(C(N)=O)[nH]n4)C3)n2)cc1 ZINC000464781127 1075703708 /nfs/dbraw/zinc/70/37/08/1075703708.db2.gz RXNIXRUEADWUJR-ZDUSSCGKSA-N 1 2 407.482 1.707 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[N@H+]3CCC[C@H](c4cc(C(N)=O)[nH]n4)C3)n2)cc1 ZINC000464781127 1075703714 /nfs/dbraw/zinc/70/37/14/1075703714.db2.gz RXNIXRUEADWUJR-ZDUSSCGKSA-N 1 2 407.482 1.707 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[N@@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)n2)cc1 ZINC000426157843 1075705039 /nfs/dbraw/zinc/70/50/39/1075705039.db2.gz YOWLCQFJZVLWPD-LBPRGKRZSA-N 1 2 409.416 2.006 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[N@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)n2)cc1 ZINC000426157843 1075705046 /nfs/dbraw/zinc/70/50/46/1075705046.db2.gz YOWLCQFJZVLWPD-LBPRGKRZSA-N 1 2 409.416 2.006 20 0 HDADLO O=C(COC(=O)c1ccc2nccn2c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000732347958 1075717705 /nfs/dbraw/zinc/71/77/05/1075717705.db2.gz HZWLLGQWWHGNOR-UHFFFAOYSA-N 1 2 408.458 1.640 20 0 HDADLO C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC(C)(C)C1 ZINC000447331972 1075722362 /nfs/dbraw/zinc/72/23/62/1075722362.db2.gz JDCQINGCZBAGJT-MSOLQXFVSA-N 1 2 419.570 2.123 20 0 HDADLO C[C@@H](C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397578 1075727548 /nfs/dbraw/zinc/72/75/48/1075727548.db2.gz SOEGWAHJTFBNCW-FXAWDEMLSA-N 1 2 415.534 1.739 20 0 HDADLO C[C@H](C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397580 1075727577 /nfs/dbraw/zinc/72/75/77/1075727577.db2.gz SOEGWAHJTFBNCW-XLIONFOSSA-N 1 2 415.534 1.739 20 0 HDADLO Nc1nc(CN2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)nc2ccccc12 ZINC000477451588 1075728915 /nfs/dbraw/zinc/72/89/15/1075728915.db2.gz XYDQELVVGPZTOF-HXUWFJFHSA-N 1 2 424.549 1.357 20 0 HDADLO Nc1nc(CN2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)nc2ccccc12 ZINC000477451588 1075728922 /nfs/dbraw/zinc/72/89/22/1075728922.db2.gz XYDQELVVGPZTOF-HXUWFJFHSA-N 1 2 424.549 1.357 20 0 HDADLO C[C@H](NC(=O)COC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(=O)N(C)C ZINC000732397220 1075732422 /nfs/dbraw/zinc/73/24/22/1075732422.db2.gz MVWWHJCHYVDPHM-IRXDYDNUSA-N 1 2 403.523 1.466 20 0 HDADLO COC(=O)c1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1F ZINC000732423661 1075734079 /nfs/dbraw/zinc/73/40/79/1075734079.db2.gz DVUJALMHOAUFFK-UHFFFAOYSA-N 1 2 401.460 1.243 20 0 HDADLO CC(=O)N[C@@H](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(F)cc1F ZINC000525576248 1075734680 /nfs/dbraw/zinc/73/46/80/1075734680.db2.gz VENWZKIVEXGUGW-SFHVURJKSA-N 1 2 421.448 1.700 20 0 HDADLO CCOC(=O)N1CCN(C(=O)C[N@H+](CCOC)Cc2ccc3c(c2)OCO3)CC1 ZINC000732410837 1075737826 /nfs/dbraw/zinc/73/78/26/1075737826.db2.gz JZYOGKDTLITXKR-UHFFFAOYSA-N 1 2 407.467 1.164 20 0 HDADLO CCOC(=O)N1CCN(C(=O)C[N@@H+](CCOC)Cc2ccc3c(c2)OCO3)CC1 ZINC000732410837 1075737833 /nfs/dbraw/zinc/73/78/33/1075737833.db2.gz JZYOGKDTLITXKR-UHFFFAOYSA-N 1 2 407.467 1.164 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCCC[C@H]1CN1CCCC1=O ZINC000732453639 1075742506 /nfs/dbraw/zinc/74/25/06/1075742506.db2.gz ZQRFVKYGHCLVSD-FXAWDEMLSA-N 1 2 410.584 1.381 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497887312 1075755347 /nfs/dbraw/zinc/75/53/47/1075755347.db2.gz VNILQPFQXVPSPX-SJLPKXTDSA-N 1 2 415.448 1.706 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497887312 1075755354 /nfs/dbraw/zinc/75/53/54/1075755354.db2.gz VNILQPFQXVPSPX-SJLPKXTDSA-N 1 2 415.448 1.706 20 0 HDADLO CN(Cc1cccc(C(N)=O)c1)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732476296 1075756655 /nfs/dbraw/zinc/75/66/55/1075756655.db2.gz CXTKWWUHCRTVMU-OAQYLSRUSA-N 1 2 410.518 1.870 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000732491473 1075765070 /nfs/dbraw/zinc/76/50/70/1075765070.db2.gz SABSTZBJTSHENM-QGZVFWFLSA-N 1 2 404.474 1.939 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000732491473 1075765077 /nfs/dbraw/zinc/76/50/77/1075765077.db2.gz SABSTZBJTSHENM-QGZVFWFLSA-N 1 2 404.474 1.939 20 0 HDADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1=O ZINC000429479435 1075766731 /nfs/dbraw/zinc/76/67/31/1075766731.db2.gz WZVCWEDXZFSXKQ-MDNKFWRPSA-N 1 2 400.523 1.238 20 0 HDADLO Nc1ncc(Br)cc1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000554261264 1075772487 /nfs/dbraw/zinc/77/24/87/1075772487.db2.gz QHVNJOIJPRETQU-UHFFFAOYSA-N 1 2 424.303 1.277 20 0 HDADLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518244841 1075773074 /nfs/dbraw/zinc/77/30/74/1075773074.db2.gz HOBKYWDQWJKKQN-AWEZNQCLSA-N 1 2 405.886 1.626 20 0 HDADLO CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000553276395 1075799602 /nfs/dbraw/zinc/79/96/02/1075799602.db2.gz YLAIDUNDKWJUPY-UHFFFAOYSA-N 1 2 401.511 2.020 20 0 HDADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC12CCCCC2 ZINC000462942511 1075799836 /nfs/dbraw/zinc/79/98/36/1075799836.db2.gz LFPCDOBCMIFKSD-SFHVURJKSA-N 1 2 417.554 1.973 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732641132 1075811164 /nfs/dbraw/zinc/81/11/64/1075811164.db2.gz NDKPJNXBKWGVRF-QGZVFWFLSA-N 1 2 405.405 1.625 20 0 HDADLO C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC(C)(C)C1 ZINC000447331979 1075814291 /nfs/dbraw/zinc/81/42/91/1075814291.db2.gz JDCQINGCZBAGJT-ROUUACIJSA-N 1 2 419.570 2.123 20 0 HDADLO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000611033524 1075816378 /nfs/dbraw/zinc/81/63/78/1075816378.db2.gz ZHJCRWKWQQPVMG-CRAIPNDOSA-N 1 2 405.476 1.776 20 0 HDADLO CCOC(=O)c1c2c(sc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)CCC2 ZINC000611067248 1075824033 /nfs/dbraw/zinc/82/40/33/1075824033.db2.gz MGEMPRYTOKXTAM-CYBMUJFWSA-N 1 2 411.524 1.570 20 0 HDADLO COC(=O)c1cccc([C@@H](C(=O)OC)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000611089370 1075828165 /nfs/dbraw/zinc/82/81/65/1075828165.db2.gz AIKGRMQKBWVSDL-LPHOPBHVSA-N 1 2 417.506 1.316 20 0 HDADLO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000611076813 1075828794 /nfs/dbraw/zinc/82/87/94/1075828794.db2.gz HWXZBIMRPLBHBZ-VAMGGRTRSA-N 1 2 407.603 1.691 20 0 HDADLO O=C(/C=C\C1CCOCC1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000732694945 1075833485 /nfs/dbraw/zinc/83/34/85/1075833485.db2.gz UZLACBWWNUAZPR-RQOWECAXSA-N 1 2 414.502 1.792 20 0 HDADLO CCOC(=O)Cn1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1=O ZINC000611096923 1075840908 /nfs/dbraw/zinc/84/09/08/1075840908.db2.gz BNZHUPWMABNDMS-INIZCTEOSA-N 1 2 413.478 1.717 20 0 HDADLO Cc1ncc(/C=C/C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000732731884 1075844707 /nfs/dbraw/zinc/84/47/07/1075844707.db2.gz CSIXEQIKHCXMTB-AATRIKPKSA-N 1 2 421.548 1.128 20 0 HDADLO CC(C)n1cnnc1CN(C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429297719 1075855151 /nfs/dbraw/zinc/85/51/51/1075855151.db2.gz DGCYDUWYWUVSMQ-UHFFFAOYSA-N 1 2 400.527 1.439 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccn(Cc2ccncc2)n1 ZINC000481209162 1075861253 /nfs/dbraw/zinc/86/12/53/1075861253.db2.gz AULRGSZDXDMVIK-UHFFFAOYSA-N 1 2 419.489 1.789 20 0 HDADLO CC(C)[C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)n1nnc(-c2ccccc2)n1 ZINC000521801555 1075865442 /nfs/dbraw/zinc/86/54/42/1075865442.db2.gz BUDGQRBUYOSRBG-IBGZPJMESA-N 1 2 424.509 1.705 20 0 HDADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000611170273 1075866624 /nfs/dbraw/zinc/86/66/24/1075866624.db2.gz ZYKIRUWCZBDCRW-RHSMWYFYSA-N 1 2 411.520 1.991 20 0 HDADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000611170273 1075866628 /nfs/dbraw/zinc/86/66/28/1075866628.db2.gz ZYKIRUWCZBDCRW-RHSMWYFYSA-N 1 2 411.520 1.991 20 0 HDADLO O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000732808890 1075871003 /nfs/dbraw/zinc/87/10/03/1075871003.db2.gz ONOXJJFFGAOLRK-MRXNPFEDSA-N 1 2 416.478 1.583 20 0 HDADLO O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000732808890 1075871007 /nfs/dbraw/zinc/87/10/07/1075871007.db2.gz ONOXJJFFGAOLRK-MRXNPFEDSA-N 1 2 416.478 1.583 20 0 HDADLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732812356 1075873058 /nfs/dbraw/zinc/87/30/58/1075873058.db2.gz CJSTZAGLFOIXTF-IUODEOHRSA-N 1 2 415.412 1.573 20 0 HDADLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732812356 1075873062 /nfs/dbraw/zinc/87/30/62/1075873062.db2.gz CJSTZAGLFOIXTF-IUODEOHRSA-N 1 2 415.412 1.573 20 0 HDADLO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000732812129 1075873717 /nfs/dbraw/zinc/87/37/17/1075873717.db2.gz BKFILZQHSQRBRD-OCCSQVGLSA-N 1 2 417.428 1.804 20 0 HDADLO COc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000732812129 1075873720 /nfs/dbraw/zinc/87/37/20/1075873720.db2.gz BKFILZQHSQRBRD-OCCSQVGLSA-N 1 2 417.428 1.804 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732813325 1075874256 /nfs/dbraw/zinc/87/42/56/1075874256.db2.gz VQIJWKHBKJJXAO-KRWDZBQOSA-N 1 2 419.522 1.806 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732813325 1075874258 /nfs/dbraw/zinc/87/42/58/1075874258.db2.gz VQIJWKHBKJJXAO-KRWDZBQOSA-N 1 2 419.522 1.806 20 0 HDADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000611271469 1075889850 /nfs/dbraw/zinc/88/98/50/1075889850.db2.gz XGNCERHAUMNULF-UHFFFAOYSA-N 1 2 408.495 1.706 20 0 HDADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000611271469 1075889852 /nfs/dbraw/zinc/88/98/52/1075889852.db2.gz XGNCERHAUMNULF-UHFFFAOYSA-N 1 2 408.495 1.706 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc([S@@](C)=O)c(F)c3)[nH+]c12 ZINC000611362112 1075918884 /nfs/dbraw/zinc/91/88/84/1075918884.db2.gz ITNUXHXLXRBHPI-MUUNZHRXSA-N 1 2 402.451 1.817 20 0 HDADLO COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1C ZINC000611459844 1075941451 /nfs/dbraw/zinc/94/14/51/1075941451.db2.gz MRINLVVTMVGIPM-GJZGRUSLSA-N 1 2 409.508 1.541 20 0 HDADLO COC(=O)c1cc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)oc1C ZINC000611480051 1075945141 /nfs/dbraw/zinc/94/51/41/1075945141.db2.gz JWEKUCKVOZLQHX-UHFFFAOYSA-N 1 2 408.480 1.463 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC2(CC[NH+](Cc3nncs3)CC2)[C@H]2COC[C@H]21 ZINC001079252984 1075967634 /nfs/dbraw/zinc/96/76/34/1075967634.db2.gz WQCAIGMQVPOFNS-DDVYYSQMSA-N 1 2 416.547 1.401 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1noc(-c2ccccc2)n1 ZINC000733105591 1075969927 /nfs/dbraw/zinc/96/99/27/1075969927.db2.gz JQTZQCHIKRASLY-QGZVFWFLSA-N 1 2 414.462 1.493 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000494913873 1076003746 /nfs/dbraw/zinc/00/37/46/1076003746.db2.gz BQCUNHMYBCZTEQ-LEWJYISDSA-N 1 2 416.543 1.844 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000494913873 1076003749 /nfs/dbraw/zinc/00/37/49/1076003749.db2.gz BQCUNHMYBCZTEQ-LEWJYISDSA-N 1 2 416.543 1.844 20 0 HDADLO CCn1nc(C)c(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1C ZINC000727013099 1076026271 /nfs/dbraw/zinc/02/62/71/1076026271.db2.gz FOVUHFJKQWDXHG-UHFFFAOYSA-N 1 2 414.506 1.825 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 ZINC000727034478 1076029829 /nfs/dbraw/zinc/02/98/29/1076029829.db2.gz NJAJIYHKUGTGKH-QFBILLFUSA-N 1 2 410.946 1.733 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 ZINC000727034478 1076029833 /nfs/dbraw/zinc/02/98/33/1076029833.db2.gz NJAJIYHKUGTGKH-QFBILLFUSA-N 1 2 410.946 1.733 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1=O ZINC000733293325 1076040967 /nfs/dbraw/zinc/04/09/67/1076040967.db2.gz LRALTSNPSZNBGY-SFHVURJKSA-N 1 2 409.874 1.300 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)C1=O ZINC000733297022 1076041658 /nfs/dbraw/zinc/04/16/58/1076041658.db2.gz JJKYVXYFLBBJFP-LJQANCHMSA-N 1 2 400.439 1.225 20 0 HDADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC000727135221 1076051407 /nfs/dbraw/zinc/05/14/07/1076051407.db2.gz UKAREBBPIMHTNQ-ZDUSSCGKSA-N 1 2 423.514 1.313 20 0 HDADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC000727135221 1076051409 /nfs/dbraw/zinc/05/14/09/1076051409.db2.gz UKAREBBPIMHTNQ-ZDUSSCGKSA-N 1 2 423.514 1.313 20 0 HDADLO CCc1ccc(CCNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000519192855 1076062417 /nfs/dbraw/zinc/06/24/17/1076062417.db2.gz UMZKXAGFPCIXCC-UHFFFAOYSA-N 1 2 408.546 1.846 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)CCO1 ZINC000727227825 1076085031 /nfs/dbraw/zinc/08/50/31/1076085031.db2.gz PXEYVGKHKHCLFM-AWEZNQCLSA-N 1 2 412.893 1.667 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)CCO1 ZINC000727227825 1076085037 /nfs/dbraw/zinc/08/50/37/1076085037.db2.gz PXEYVGKHKHCLFM-AWEZNQCLSA-N 1 2 412.893 1.667 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCCO[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000727437142 1076119485 /nfs/dbraw/zinc/11/94/85/1076119485.db2.gz FCGREHCSTLQVCW-KUHUBIRLSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCCO[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000727437142 1076119497 /nfs/dbraw/zinc/11/94/97/1076119497.db2.gz FCGREHCSTLQVCW-KUHUBIRLSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCCO[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000727437142 1076119502 /nfs/dbraw/zinc/11/95/02/1076119502.db2.gz FCGREHCSTLQVCW-KUHUBIRLSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCCO[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000727437142 1076119509 /nfs/dbraw/zinc/11/95/09/1076119509.db2.gz FCGREHCSTLQVCW-KUHUBIRLSA-N 1 2 403.479 1.977 20 0 HDADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000733631974 1076134172 /nfs/dbraw/zinc/13/41/72/1076134172.db2.gz SCBROJHIEDQCMQ-MRXNPFEDSA-N 1 2 400.483 1.725 20 0 HDADLO COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000727495033 1076137566 /nfs/dbraw/zinc/13/75/66/1076137566.db2.gz UJBVGYFQISXFQT-QGZVFWFLSA-N 1 2 408.524 1.653 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](OC)C(F)(F)F)cc2)CC1 ZINC000733675362 1076157421 /nfs/dbraw/zinc/15/74/21/1076157421.db2.gz XYNYYFPXJXSXES-INIZCTEOSA-N 1 2 416.444 1.456 20 0 HDADLO Cn1ncc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1C(F)F ZINC000727566103 1076173587 /nfs/dbraw/zinc/17/35/87/1076173587.db2.gz KXOPVZDFLOIDPX-UHFFFAOYSA-N 1 2 422.432 1.663 20 0 HDADLO COC(=O)[C@H]1CC12CC[NH+](Cn1nc(N3CCOCC3)n(C3CC3)c1=S)CC2 ZINC000733791704 1076209047 /nfs/dbraw/zinc/20/90/47/1076209047.db2.gz CCRXCXATTNEYFG-OAHLLOKOSA-N 1 2 407.540 1.818 20 0 HDADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727738076 1076215082 /nfs/dbraw/zinc/21/50/82/1076215082.db2.gz DWPOZZWHTUOHNB-AWEZNQCLSA-N 1 2 422.482 1.590 20 0 HDADLO O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000727765397 1076218658 /nfs/dbraw/zinc/21/86/58/1076218658.db2.gz YYKSRPXJEGAALI-MOPGFXCFSA-N 1 2 410.474 1.502 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2[nH]c1=S ZINC000727750387 1076224385 /nfs/dbraw/zinc/22/43/85/1076224385.db2.gz ZZIZGBHWBNEOHV-OAHLLOKOSA-N 1 2 404.536 1.888 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000535278344 1076251822 /nfs/dbraw/zinc/25/18/22/1076251822.db2.gz UHVZRGYNQBXZSP-IBGZPJMESA-N 1 2 424.505 1.183 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000535278344 1076251826 /nfs/dbraw/zinc/25/18/26/1076251826.db2.gz UHVZRGYNQBXZSP-IBGZPJMESA-N 1 2 424.505 1.183 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000535278347 1076251889 /nfs/dbraw/zinc/25/18/89/1076251889.db2.gz UHVZRGYNQBXZSP-LJQANCHMSA-N 1 2 424.505 1.183 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000535278347 1076251894 /nfs/dbraw/zinc/25/18/94/1076251894.db2.gz UHVZRGYNQBXZSP-LJQANCHMSA-N 1 2 424.505 1.183 20 0 HDADLO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)c2)C1=O ZINC000535312308 1076252463 /nfs/dbraw/zinc/25/24/63/1076252463.db2.gz CGMJBVJLOOIZCU-SFHVURJKSA-N 1 2 421.457 1.326 20 0 HDADLO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)c2)C1=O ZINC000535312308 1076252467 /nfs/dbraw/zinc/25/24/67/1076252467.db2.gz CGMJBVJLOOIZCU-SFHVURJKSA-N 1 2 421.457 1.326 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1S(C)(=O)=O ZINC000536200460 1076255924 /nfs/dbraw/zinc/25/59/24/1076255924.db2.gz YQYZIWXZOMNLBC-KRWDZBQOSA-N 1 2 401.488 1.640 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1S(C)(=O)=O ZINC000536200460 1076255926 /nfs/dbraw/zinc/25/59/26/1076255926.db2.gz YQYZIWXZOMNLBC-KRWDZBQOSA-N 1 2 401.488 1.640 20 0 HDADLO O=C(CCCC1CC1)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709738 1076257547 /nfs/dbraw/zinc/25/75/47/1076257547.db2.gz ZNYYAKWPHZIDRJ-YENHRIDLSA-N 1 2 401.551 1.735 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=S)NCC(C)C)cc2)CC1 ZINC000727979167 1076302691 /nfs/dbraw/zinc/30/26/91/1076302691.db2.gz SGIIKHFUFOVXOJ-UHFFFAOYSA-N 1 2 406.596 1.892 20 0 HDADLO Cc1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1I ZINC000728068851 1076316114 /nfs/dbraw/zinc/31/61/14/1076316114.db2.gz KAXZVTQAVJJESA-UHFFFAOYSA-N 1 2 401.248 1.233 20 0 HDADLO Cc1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1I ZINC000728068851 1076316119 /nfs/dbraw/zinc/31/61/19/1076316119.db2.gz KAXZVTQAVJJESA-UHFFFAOYSA-N 1 2 401.248 1.233 20 0 HDADLO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000728053064 1076321125 /nfs/dbraw/zinc/32/11/25/1076321125.db2.gz GUOVZGBCWNIBTI-AEFFLSMTSA-N 1 2 414.568 1.420 20 0 HDADLO O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000728053064 1076321131 /nfs/dbraw/zinc/32/11/31/1076321131.db2.gz GUOVZGBCWNIBTI-AEFFLSMTSA-N 1 2 414.568 1.420 20 0 HDADLO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000728055948 1076323158 /nfs/dbraw/zinc/32/31/58/1076323158.db2.gz SEZQSDQMIHDRJJ-SFHVURJKSA-N 1 2 418.538 1.502 20 0 HDADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000728055948 1076323159 /nfs/dbraw/zinc/32/31/59/1076323159.db2.gz SEZQSDQMIHDRJJ-SFHVURJKSA-N 1 2 418.538 1.502 20 0 HDADLO O=C(CN1CCN(Cc2ccco2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023467285 1076343582 /nfs/dbraw/zinc/34/35/82/1076343582.db2.gz NSRUZNWRSBMAIF-UHFFFAOYSA-N 1 2 412.534 1.546 20 0 HDADLO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000728152701 1076348597 /nfs/dbraw/zinc/34/85/97/1076348597.db2.gz LUCFOVZTUIXLMX-UHFFFAOYSA-N 1 2 421.457 1.551 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000497780617 1076353115 /nfs/dbraw/zinc/35/31/15/1076353115.db2.gz SWTJDBUDASQYPY-FQEVSTJZSA-N 1 2 402.516 1.862 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000497780617 1076353122 /nfs/dbraw/zinc/35/31/22/1076353122.db2.gz SWTJDBUDASQYPY-FQEVSTJZSA-N 1 2 402.516 1.862 20 0 HDADLO Nc1c(C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000027366005 1076359701 /nfs/dbraw/zinc/35/97/01/1076359701.db2.gz SJRGAWXTFLBDQK-CYBMUJFWSA-N 1 2 404.492 1.379 20 0 HDADLO Nc1c(C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000027366005 1076359706 /nfs/dbraw/zinc/35/97/06/1076359706.db2.gz SJRGAWXTFLBDQK-CYBMUJFWSA-N 1 2 404.492 1.379 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3ccc(C)s3)C2=O)c1 ZINC000728172645 1076364592 /nfs/dbraw/zinc/36/45/92/1076364592.db2.gz HPSGYAZJSICLRC-FQEVSTJZSA-N 1 2 416.503 1.995 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3ccc(C)s3)C2=O)c1 ZINC000728172645 1076364595 /nfs/dbraw/zinc/36/45/95/1076364595.db2.gz HPSGYAZJSICLRC-FQEVSTJZSA-N 1 2 416.503 1.995 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@H]1C1OCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000728174707 1076365396 /nfs/dbraw/zinc/36/53/96/1076365396.db2.gz URFSZTJZGATJKD-IBGZPJMESA-N 1 2 417.506 1.003 20 0 HDADLO O=C(C[N@H+]1CCCC[C@H]1C1OCCO1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000728174707 1076365405 /nfs/dbraw/zinc/36/54/05/1076365405.db2.gz URFSZTJZGATJKD-IBGZPJMESA-N 1 2 417.506 1.003 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[NH+]([C@H]2CCN(c3cncc(Cl)n3)C2)CC1 ZINC001065206256 1076367047 /nfs/dbraw/zinc/36/70/47/1076367047.db2.gz JXQXDORBLJAYBL-GNRYUNBRSA-N 1 2 403.914 1.276 20 0 HDADLO CC(=O)c1ccc(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)c(F)c1 ZINC000730134222 1076460643 /nfs/dbraw/zinc/46/06/43/1076460643.db2.gz SVFWILWDDXOKDC-INIZCTEOSA-N 1 2 405.518 1.496 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730213452 1076478832 /nfs/dbraw/zinc/47/88/32/1076478832.db2.gz LMFBSTDJOCLXGB-MGPUTAFESA-N 1 2 407.511 1.503 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000730228433 1076486138 /nfs/dbraw/zinc/48/61/38/1076486138.db2.gz UHHURFAACPRCIT-UYAOXDASSA-N 1 2 402.539 1.930 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 ZINC000730251478 1076498069 /nfs/dbraw/zinc/49/80/69/1076498069.db2.gz HWEXUJSMFYUSNL-QFIPXVFZSA-N 1 2 414.506 1.496 20 0 HDADLO C[N@H+](Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S)[C@H]1CCOC1 ZINC000730258278 1076501730 /nfs/dbraw/zinc/50/17/30/1076501730.db2.gz FJFCDVCVGDAISL-ZDUSSCGKSA-N 1 2 413.521 1.663 20 0 HDADLO C[N@@H+](Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S)[C@H]1CCOC1 ZINC000730258278 1076501731 /nfs/dbraw/zinc/50/17/31/1076501731.db2.gz FJFCDVCVGDAISL-ZDUSSCGKSA-N 1 2 413.521 1.663 20 0 HDADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000730265898 1076506958 /nfs/dbraw/zinc/50/69/58/1076506958.db2.gz PQXGNBCRBOHKRT-MRXNPFEDSA-N 1 2 420.510 1.691 20 0 HDADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000730265898 1076506967 /nfs/dbraw/zinc/50/69/67/1076506967.db2.gz PQXGNBCRBOHKRT-MRXNPFEDSA-N 1 2 420.510 1.691 20 0 HDADLO CC1CC[NH+]([C@H](CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c2cccs2)CC1 ZINC000730517757 1076584602 /nfs/dbraw/zinc/58/46/02/1076584602.db2.gz SHSPLWKAWIIUON-OAHLLOKOSA-N 1 2 400.508 1.722 20 0 HDADLO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000730785502 1076656964 /nfs/dbraw/zinc/65/69/64/1076656964.db2.gz BTXPUWVXOCZWRO-LBPRGKRZSA-N 1 2 405.314 1.303 20 0 HDADLO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000730785502 1076656967 /nfs/dbraw/zinc/65/69/67/1076656967.db2.gz BTXPUWVXOCZWRO-LBPRGKRZSA-N 1 2 405.314 1.303 20 0 HDADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)CCN(C)c2ccccc2)C1=O ZINC000730808655 1076665312 /nfs/dbraw/zinc/66/53/12/1076665312.db2.gz QXXDZHXSKGYTJU-HSZRJFAPSA-N 1 2 423.517 1.943 20 0 HDADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)CCN(C)c2ccccc2)C1=O ZINC000730808655 1076665317 /nfs/dbraw/zinc/66/53/17/1076665317.db2.gz QXXDZHXSKGYTJU-HSZRJFAPSA-N 1 2 423.517 1.943 20 0 HDADLO COc1cccc(C(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000730937739 1076696960 /nfs/dbraw/zinc/69/69/60/1076696960.db2.gz FYGWHMQAEVKCCI-UHFFFAOYSA-N 1 2 403.504 1.343 20 0 HDADLO NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000730939764 1076698664 /nfs/dbraw/zinc/69/86/64/1076698664.db2.gz NZPNKCZMGVWJKC-UHFFFAOYSA-N 1 2 412.515 1.816 20 0 HDADLO C[C@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccc(S(C)(=O)=O)cc1 ZINC000032797385 525494926 /nfs/dbraw/zinc/49/49/26/525494926.db2.gz BLRMDKUEGGDEQB-ZDUSSCGKSA-N 1 2 411.487 1.836 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)c(F)cc3C(=O)OC)CC2)C1=O ZINC001164639178 719274666 /nfs/dbraw/zinc/27/46/66/719274666.db2.gz JIDYOBPPFJXXQV-UHFFFAOYSA-N 1 2 408.474 1.075 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)c(F)cc3C(=O)OC)CC2)C1=O ZINC001164639178 719274670 /nfs/dbraw/zinc/27/46/70/719274670.db2.gz JIDYOBPPFJXXQV-UHFFFAOYSA-N 1 2 408.474 1.075 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c(Cl)c1 ZINC001164640816 719275028 /nfs/dbraw/zinc/27/50/28/719275028.db2.gz PTFFILRTWUNFLS-UHFFFAOYSA-N 1 2 424.929 1.671 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c(Cl)c1 ZINC001164640816 719275029 /nfs/dbraw/zinc/27/50/29/719275029.db2.gz PTFFILRTWUNFLS-UHFFFAOYSA-N 1 2 424.929 1.671 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C)cc3/C=C/C(=O)OC)CC2)C1=O ZINC001164640943 719277940 /nfs/dbraw/zinc/27/79/40/719277940.db2.gz QXWFLCHLMIQXCF-AATRIKPKSA-N 1 2 416.522 1.336 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C)cc3/C=C/C(=O)OC)CC2)C1=O ZINC001164640943 719277942 /nfs/dbraw/zinc/27/79/42/719277942.db2.gz QXWFLCHLMIQXCF-AATRIKPKSA-N 1 2 416.522 1.336 20 0 HDADLO COC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)c1 ZINC001164702009 719837887 /nfs/dbraw/zinc/83/78/87/719837887.db2.gz NEAGKVXBHVSKBG-IFXJQAMLSA-N 1 2 411.886 1.754 20 0 HDADLO CCOC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C ZINC001164702048 719838278 /nfs/dbraw/zinc/83/82/78/719838278.db2.gz NMZDLJUKRYUUFV-HRAATJIYSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(CN2CCOCC2)cn1 ZINC001164703273 719841232 /nfs/dbraw/zinc/84/12/32/719841232.db2.gz PRCFMNYJMVEXOP-UGKGYDQZSA-N 1 2 418.538 1.147 20 0 HDADLO CCOC(=O)c1cc(C)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164706617 719844974 /nfs/dbraw/zinc/84/49/74/719844974.db2.gz XZQGQDMRSIXUSE-KKSFZXQISA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2C ZINC001164700427 719849864 /nfs/dbraw/zinc/84/98/64/719849864.db2.gz KNNMYQASDVPOSM-KZULUSFZSA-N 1 2 408.890 1.249 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1[C@@H](C)CC(=O)N2 ZINC001164700071 719856016 /nfs/dbraw/zinc/85/60/16/719856016.db2.gz GAWOKHHQBJSVFQ-YRVVQQKDSA-N 1 2 403.483 1.155 20 0 HDADLO CNC(=O)c1nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ccc1Cl ZINC001164697769 719859696 /nfs/dbraw/zinc/85/96/96/719859696.db2.gz AKIXQUHQWURLTM-ORAYPTAESA-N 1 2 410.902 1.327 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)N2CCCC2)ccn1 ZINC001164698818 719861989 /nfs/dbraw/zinc/86/19/89/719861989.db2.gz DTTFXWGKOOTGBZ-GCJKJVERSA-N 1 2 416.522 1.550 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@H](F)Oc1ccc(Cl)nn1 ZINC001164698432 719879712 /nfs/dbraw/zinc/87/97/12/719879712.db2.gz FPKKJGLIHOQQTD-DQYPLSBCSA-N 1 2 402.854 1.490 20 0 HDADLO COc1ccc2ncc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2c1 ZINC001164708400 719910063 /nfs/dbraw/zinc/91/00/63/719910063.db2.gz CLFSTAVABWJJCR-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164708284 719918894 /nfs/dbraw/zinc/91/88/94/719918894.db2.gz HHTAXDCJHCWFIA-UHFFFAOYSA-N 1 2 409.469 1.453 20 0 HDADLO CCSc1cncc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708071 719927397 /nfs/dbraw/zinc/92/73/97/719927397.db2.gz BJYZMMALBMOLFM-UHFFFAOYSA-N 1 2 401.540 1.272 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccsc3)nn1)CC2 ZINC001164708058 719934504 /nfs/dbraw/zinc/93/45/04/719934504.db2.gz AZWSKABFTZNLRV-UHFFFAOYSA-N 1 2 423.546 1.889 20 0 HDADLO CSc1ncc(Cl)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164704231 719939365 /nfs/dbraw/zinc/93/93/65/719939365.db2.gz QINVOTXLWYUHDN-UHFFFAOYSA-N 1 2 421.958 1.536 20 0 HDADLO Cc1nc2ccc(F)cc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164704853 720047615 /nfs/dbraw/zinc/04/76/15/720047615.db2.gz VBMRJERJDFOEBR-UHFFFAOYSA-N 1 2 423.496 1.761 20 0 HDADLO Cc1ccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164703232 720048078 /nfs/dbraw/zinc/04/80/78/720048078.db2.gz JNPUCAYEBFNXDD-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3COC4(C)C)C2)C1 ZINC001164718262 720231412 /nfs/dbraw/zinc/23/14/12/720231412.db2.gz DBOWEHDHVKEVIO-FQEVSTJZSA-N 1 2 423.945 1.560 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3COC4(C)C)C2)C1 ZINC001164718262 720231434 /nfs/dbraw/zinc/23/14/34/720231434.db2.gz DBOWEHDHVKEVIO-FQEVSTJZSA-N 1 2 423.945 1.560 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccnc4N(C)C)CC3)C2=O)cs1 ZINC001164823152 720365745 /nfs/dbraw/zinc/36/57/45/720365745.db2.gz BHHDPCJXHSRPOX-UHFFFAOYSA-N 1 2 415.567 1.621 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccnc4N(C)C)CC3)C2=O)cs1 ZINC001164823152 720365749 /nfs/dbraw/zinc/36/57/49/720365749.db2.gz BHHDPCJXHSRPOX-UHFFFAOYSA-N 1 2 415.567 1.621 20 0 HDADLO COc1ncnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1C ZINC001164825674 720367864 /nfs/dbraw/zinc/36/78/64/720367864.db2.gz SZXPNKKFENTXAO-UHFFFAOYSA-N 1 2 416.551 1.872 20 0 HDADLO COc1ncnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1C ZINC001164825674 720367870 /nfs/dbraw/zinc/36/78/70/720367870.db2.gz SZXPNKKFENTXAO-UHFFFAOYSA-N 1 2 416.551 1.872 20 0 HDADLO Cc1nc2ccoc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822107 720429567 /nfs/dbraw/zinc/42/95/67/720429567.db2.gz BEHOESQAGNNUFJ-MRXNPFEDSA-N 1 2 412.494 1.717 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ccsc31)C2 ZINC001164828541 720430923 /nfs/dbraw/zinc/43/09/23/720430923.db2.gz XBAGPZYMMYWLKR-OAHLLOKOSA-N 1 2 414.535 1.877 20 0 HDADLO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1Cl ZINC001164827006 720439133 /nfs/dbraw/zinc/43/91/33/720439133.db2.gz YDRKNHDAJRSKGP-OAHLLOKOSA-N 1 2 406.918 1.625 20 0 HDADLO CCOc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164824053 720444189 /nfs/dbraw/zinc/44/41/89/720444189.db2.gz LNOKTZFCLMDJAF-QGZVFWFLSA-N 1 2 401.511 1.666 20 0 HDADLO CC(C)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164825091 720444979 /nfs/dbraw/zinc/44/49/79/720444979.db2.gz PYTYITACKYFJSJ-KRWDZBQOSA-N 1 2 400.527 1.786 20 0 HDADLO COc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164832294 720462777 /nfs/dbraw/zinc/46/27/77/720462777.db2.gz SUCKFLHRNWINEG-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)N3CCOCC3)cn1)C2 ZINC001165010361 721695588 /nfs/dbraw/zinc/69/55/88/721695588.db2.gz VROPIYDUUWOCQG-UHFFFAOYSA-N 1 2 413.526 1.396 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)N3CCOCC3)cn1)C2 ZINC001165010361 721695592 /nfs/dbraw/zinc/69/55/92/721695592.db2.gz VROPIYDUUWOCQG-UHFFFAOYSA-N 1 2 413.526 1.396 20 0 HDADLO CCOC(=O)c1nnc(SC)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011792 721700299 /nfs/dbraw/zinc/70/02/99/721700299.db2.gz YWACSIIZIIUETP-UHFFFAOYSA-N 1 2 420.543 1.612 20 0 HDADLO CCOC(=O)c1nnc(SC)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011792 721700300 /nfs/dbraw/zinc/70/03/00/721700300.db2.gz YWACSIIZIIUETP-UHFFFAOYSA-N 1 2 420.543 1.612 20 0 HDADLO COc1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911953 721769479 /nfs/dbraw/zinc/76/94/79/721769479.db2.gz ISRGKNAYAUIGPU-IBGZPJMESA-N 1 2 405.886 1.641 20 0 HDADLO COc1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911953 721769481 /nfs/dbraw/zinc/76/94/81/721769481.db2.gz ISRGKNAYAUIGPU-IBGZPJMESA-N 1 2 405.886 1.641 20 0 HDADLO COC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1F ZINC001164911602 721777020 /nfs/dbraw/zinc/77/70/20/721777020.db2.gz HQAVHFBMRDTPQJ-OAQYLSRUSA-N 1 2 416.453 1.510 20 0 HDADLO COC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1F ZINC001164911602 721777027 /nfs/dbraw/zinc/77/70/27/721777027.db2.gz HQAVHFBMRDTPQJ-OAQYLSRUSA-N 1 2 416.453 1.510 20 0 HDADLO NC(=O)c1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914439 721783033 /nfs/dbraw/zinc/78/30/33/721783033.db2.gz DHYWOUOIIDMIQA-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914439 721783036 /nfs/dbraw/zinc/78/30/36/721783036.db2.gz DHYWOUOIIDMIQA-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC001164916365 721814865 /nfs/dbraw/zinc/81/48/65/721814865.db2.gz CSNSQVZIVHAGOT-UHFFFAOYSA-N 1 2 410.931 1.328 20 0 HDADLO NC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1Cl ZINC001164943659 721970139 /nfs/dbraw/zinc/97/01/39/721970139.db2.gz BCZBELCCBGDOME-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO NC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1Cl ZINC001164943659 721970143 /nfs/dbraw/zinc/97/01/43/721970143.db2.gz BCZBELCCBGDOME-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1N ZINC001164945736 721971800 /nfs/dbraw/zinc/97/18/00/721971800.db2.gz RHKKWXXAUVPQRH-UHFFFAOYSA-N 1 2 409.490 1.421 20 0 HDADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1N ZINC001164945736 721971802 /nfs/dbraw/zinc/97/18/02/721971802.db2.gz RHKKWXXAUVPQRH-UHFFFAOYSA-N 1 2 409.490 1.421 20 0 HDADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncn1 ZINC001164944130 721971845 /nfs/dbraw/zinc/97/18/45/721971845.db2.gz GVJJACADQISZLG-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncn1 ZINC001164944130 721971849 /nfs/dbraw/zinc/97/18/49/721971849.db2.gz GVJJACADQISZLG-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO COc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944984 721972230 /nfs/dbraw/zinc/97/22/30/721972230.db2.gz LWBCVTSYORLAPY-UHFFFAOYSA-N 1 2 402.886 1.505 20 0 HDADLO COc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944984 721972232 /nfs/dbraw/zinc/97/22/32/721972232.db2.gz LWBCVTSYORLAPY-UHFFFAOYSA-N 1 2 402.886 1.505 20 0 HDADLO CN(C)C(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164944980 721972474 /nfs/dbraw/zinc/97/24/74/721972474.db2.gz LTNZYLWKALCRJJ-UHFFFAOYSA-N 1 2 407.518 1.754 20 0 HDADLO CN(C)C(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164944980 721972476 /nfs/dbraw/zinc/97/24/76/721972476.db2.gz LTNZYLWKALCRJJ-UHFFFAOYSA-N 1 2 407.518 1.754 20 0 HDADLO CCCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429050083 1073473151 /nfs/dbraw/zinc/47/31/51/1073473151.db2.gz CRAQOBAYSCJJFH-VQTJNVASSA-N 1 2 423.579 1.886 20 0 HDADLO CCCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429050083 1073473153 /nfs/dbraw/zinc/47/31/53/1073473153.db2.gz CRAQOBAYSCJJFH-VQTJNVASSA-N 1 2 423.579 1.886 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000671396504 1073483388 /nfs/dbraw/zinc/48/33/88/1073483388.db2.gz KGABASGODXWHMN-GOSISDBHSA-N 1 2 412.465 1.723 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)n(C)n1)C2 ZINC001004604772 1073497285 /nfs/dbraw/zinc/49/72/85/1073497285.db2.gz GFKPPWIERFURFQ-HVNMYJMUSA-N 1 2 402.886 1.472 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000509086210 1073499246 /nfs/dbraw/zinc/49/92/46/1073499246.db2.gz SOKLPMHDOOEFTO-HNNXBMFYSA-N 1 2 421.523 1.212 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000509086210 1073499248 /nfs/dbraw/zinc/49/92/48/1073499248.db2.gz SOKLPMHDOOEFTO-HNNXBMFYSA-N 1 2 421.523 1.212 20 0 HDADLO CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccnn1C ZINC000671405639 1073524485 /nfs/dbraw/zinc/52/44/85/1073524485.db2.gz RMDXZWVBFGIQEX-MRXNPFEDSA-N 1 2 412.469 1.917 20 0 HDADLO Cc1nnc(CN(C)CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C ZINC000509118935 1073586639 /nfs/dbraw/zinc/58/66/39/1073586639.db2.gz AKQRVGAGWIIVKY-UHFFFAOYSA-N 1 2 400.531 1.126 20 0 HDADLO O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000673658021 1073601870 /nfs/dbraw/zinc/60/18/70/1073601870.db2.gz KXGNOWKRHYPFMU-IBGZPJMESA-N 1 2 421.457 1.221 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000673659558 1073609451 /nfs/dbraw/zinc/60/94/51/1073609451.db2.gz VTKMLCKQYSMVMD-INIZCTEOSA-N 1 2 421.523 1.943 20 0 HDADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000028239891 1073611345 /nfs/dbraw/zinc/61/13/45/1073611345.db2.gz ULEBXGYRLGATLO-SFHVURJKSA-N 1 2 405.495 1.436 20 0 HDADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673668237 1073620959 /nfs/dbraw/zinc/62/09/59/1073620959.db2.gz JIFBAIBJUPUXFR-KRWDZBQOSA-N 1 2 404.430 1.823 20 0 HDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000509131811 1073673095 /nfs/dbraw/zinc/67/30/95/1073673095.db2.gz JNTLHMMAUYBQBB-CQSZACIVSA-N 1 2 401.496 1.911 20 0 HDADLO COCC[N@H+](CC(=O)N(C)C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000509129236 1073679994 /nfs/dbraw/zinc/67/99/94/1073679994.db2.gz VOEPBRUDXJNNPM-UHFFFAOYSA-N 1 2 402.495 1.785 20 0 HDADLO COCC[N@@H+](CC(=O)N(C)C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000509129236 1073679997 /nfs/dbraw/zinc/67/99/97/1073679997.db2.gz VOEPBRUDXJNNPM-UHFFFAOYSA-N 1 2 402.495 1.785 20 0 HDADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673746900 1073682018 /nfs/dbraw/zinc/68/20/18/1073682018.db2.gz DFEASFJWJOFWIG-AWEZNQCLSA-N 1 2 418.523 1.019 20 0 HDADLO Cc1cc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000673758922 1073699694 /nfs/dbraw/zinc/69/96/94/1073699694.db2.gz XVZKQCYGJNWVMF-MRXNPFEDSA-N 1 2 416.507 1.871 20 0 HDADLO Cc1cc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000673758921 1073699722 /nfs/dbraw/zinc/69/97/22/1073699722.db2.gz XVZKQCYGJNWVMF-INIZCTEOSA-N 1 2 416.507 1.871 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2O1 ZINC000429127909 1073709154 /nfs/dbraw/zinc/70/91/54/1073709154.db2.gz NDDROXVOUPIISZ-OAHLLOKOSA-N 1 2 403.504 1.276 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2O1 ZINC000429127909 1073709157 /nfs/dbraw/zinc/70/91/57/1073709157.db2.gz NDDROXVOUPIISZ-OAHLLOKOSA-N 1 2 403.504 1.276 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[nH+]c12 ZINC000673767117 1073711931 /nfs/dbraw/zinc/71/19/31/1073711931.db2.gz BKUWNFZTONMURE-UHFFFAOYSA-N 1 2 401.492 1.375 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCCS(=O)(=O)NCc3ccccc3)[nH+]c12 ZINC000673770677 1073713802 /nfs/dbraw/zinc/71/38/02/1073713802.db2.gz PEMFYTYOZRLLCH-UHFFFAOYSA-N 1 2 415.519 1.604 20 0 HDADLO CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000673781719 1073717289 /nfs/dbraw/zinc/71/72/89/1073717289.db2.gz FRPHYFWSJPCXGA-OAHLLOKOSA-N 1 2 408.886 1.560 20 0 HDADLO CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673781846 1073720536 /nfs/dbraw/zinc/72/05/36/1073720536.db2.gz JEFGXJDONGHWAC-OAHLLOKOSA-N 1 2 408.886 1.560 20 0 HDADLO Cc1cnn(-c2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cc2F)c1 ZINC000673783247 1073722127 /nfs/dbraw/zinc/72/21/27/1073722127.db2.gz GVYVKHIWORNKPR-QGZVFWFLSA-N 1 2 415.469 1.582 20 0 HDADLO CC(C)C(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673782774 1073722835 /nfs/dbraw/zinc/72/28/35/1073722835.db2.gz QJETXZWGIBVCLS-GOSISDBHSA-N 1 2 402.495 1.543 20 0 HDADLO O=C(Nc1cccc(CN2CCCC2=O)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784270 1073724226 /nfs/dbraw/zinc/72/42/26/1073724226.db2.gz IIPKLJLBFBXGBG-LJQANCHMSA-N 1 2 414.506 1.071 20 0 HDADLO CCOc1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)O[C@H](C)C2 ZINC000673785677 1073727030 /nfs/dbraw/zinc/72/70/30/1073727030.db2.gz XFHLADPSEMJKQD-NVXWUHKLSA-N 1 2 417.506 1.670 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1OCC(F)F ZINC000673785655 1073727670 /nfs/dbraw/zinc/72/76/70/1073727670.db2.gz WSHWDZOIDAZYPC-MRXNPFEDSA-N 1 2 411.449 1.901 20 0 HDADLO COc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673785085 1073728855 /nfs/dbraw/zinc/72/88/55/1073728855.db2.gz NPLRLARDLQJJTQ-CQSZACIVSA-N 1 2 413.421 1.558 20 0 HDADLO COc1cccc(Oc2ncccc2CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000509141438 1073731812 /nfs/dbraw/zinc/73/18/12/1073731812.db2.gz HOUZODXDYUBAKR-UHFFFAOYSA-N 1 2 410.474 1.805 20 0 HDADLO COC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000673787827 1073741204 /nfs/dbraw/zinc/74/12/04/1073741204.db2.gz BEZRXQQPXZMUFB-KRWDZBQOSA-N 1 2 414.462 1.110 20 0 HDADLO COCCS(=O)(=O)c1ccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000429142951 1073762309 /nfs/dbraw/zinc/76/23/09/1073762309.db2.gz NSBOYDKOZFKFKD-UHFFFAOYSA-N 1 2 420.535 1.981 20 0 HDADLO CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872764 1073837376 /nfs/dbraw/zinc/83/73/76/1073837376.db2.gz KIHTWSWHCZHRLK-UHFFFAOYSA-N 1 2 406.531 1.470 20 0 HDADLO CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(=O)OC ZINC000029632098 1073845068 /nfs/dbraw/zinc/84/50/68/1073845068.db2.gz OXOALCYBRGASCZ-DNVCBOLYSA-N 1 2 405.543 1.734 20 0 HDADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000543500554 1073868314 /nfs/dbraw/zinc/86/83/14/1073868314.db2.gz PQBHIELDUSRQSG-JKSUJKDBSA-N 1 2 422.489 1.832 20 0 HDADLO COc1cc(C=O)c(Br)cc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766040867 1073873468 /nfs/dbraw/zinc/87/34/68/1073873468.db2.gz VAVQTLAZHLJMRH-UHFFFAOYSA-N 1 2 422.297 1.701 20 0 HDADLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cn[nH]c2)cc1S(=O)(=O)N1CCOCC1 ZINC000673928131 1073898637 /nfs/dbraw/zinc/89/86/37/1073898637.db2.gz YOVXXDQFRQNBFT-HNNXBMFYSA-N 1 2 421.523 1.198 20 0 HDADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cn[nH]c2)cc1S(=O)(=O)N1CCOCC1 ZINC000673928131 1073898644 /nfs/dbraw/zinc/89/86/44/1073898644.db2.gz YOVXXDQFRQNBFT-HNNXBMFYSA-N 1 2 421.523 1.198 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c(-c3cccnc3)nnc2N(C)CCOC)nc[nH+]1 ZINC001299290104 1073958045 /nfs/dbraw/zinc/95/80/45/1073958045.db2.gz GCAUPIMPQUAJPZ-KRWDZBQOSA-N 1 2 423.525 1.923 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c(-c3cccnc3)nnc2N(C)CCOC)[nH+]cn1 ZINC001299290104 1073958046 /nfs/dbraw/zinc/95/80/46/1073958046.db2.gz GCAUPIMPQUAJPZ-KRWDZBQOSA-N 1 2 423.525 1.923 20 0 HDADLO Cc1cc(Br)ccc1NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000484412596 1073983851 /nfs/dbraw/zinc/98/38/51/1073983851.db2.gz HWMRWGSLWOTLNK-UHFFFAOYSA-N 1 2 400.317 1.323 20 0 HDADLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000484412596 1073983852 /nfs/dbraw/zinc/98/38/52/1073983852.db2.gz HWMRWGSLWOTLNK-UHFFFAOYSA-N 1 2 400.317 1.323 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)s[nH]2)c1 ZINC000543531159 1074022443 /nfs/dbraw/zinc/02/24/43/1074022443.db2.gz JFKGCMOZYMUDMS-AWEZNQCLSA-N 1 2 405.524 1.667 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)s[nH]2)c1 ZINC000543532834 1074031919 /nfs/dbraw/zinc/03/19/19/1074031919.db2.gz NYIVNHFJQWAAFV-ZDUSSCGKSA-N 1 2 403.508 1.565 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@H](C)[N@@H+]3CCC[C@H](C)C3)s[nH]2)c1 ZINC000543533586 1074032596 /nfs/dbraw/zinc/03/25/96/1074032596.db2.gz HHBFFWMWGKBWFK-UONOGXRCSA-N 1 2 417.535 1.811 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)s[nH]2)c1 ZINC000543533586 1074032599 /nfs/dbraw/zinc/03/25/99/1074032599.db2.gz HHBFFWMWGKBWFK-UONOGXRCSA-N 1 2 417.535 1.811 20 0 HDADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000543535612 1074040743 /nfs/dbraw/zinc/04/07/43/1074040743.db2.gz XXJBSVDEOLWUPD-UHFFFAOYSA-N 1 2 418.457 1.652 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766048147 1074047851 /nfs/dbraw/zinc/04/78/51/1074047851.db2.gz YRTJTQVTNUVFAR-INIZCTEOSA-N 1 2 405.561 1.418 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000509198481 1074066289 /nfs/dbraw/zinc/06/62/89/1074066289.db2.gz SZTAPIKHCQSUFF-HUUCEWRRSA-N 1 2 403.570 1.430 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000509198481 1074066294 /nfs/dbraw/zinc/06/62/94/1074066294.db2.gz SZTAPIKHCQSUFF-HUUCEWRRSA-N 1 2 403.570 1.430 20 0 HDADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC001033281882 1074067612 /nfs/dbraw/zinc/06/76/12/1074067612.db2.gz NOPGRPUVPAIYDC-NTCWUJLTSA-N 1 2 400.504 1.212 20 0 HDADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC001033281882 1074067619 /nfs/dbraw/zinc/06/76/19/1074067619.db2.gz NOPGRPUVPAIYDC-NTCWUJLTSA-N 1 2 400.504 1.212 20 0 HDADLO CC[C@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001626093527 1074074376 /nfs/dbraw/zinc/07/43/76/1074074376.db2.gz MOCPQUFUSMGBBD-RTBURBONSA-N 1 2 417.554 1.126 20 0 HDADLO CC[C@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001626093527 1074074386 /nfs/dbraw/zinc/07/43/86/1074074386.db2.gz MOCPQUFUSMGBBD-RTBURBONSA-N 1 2 417.554 1.126 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCC(O[C@H]3CCOC3)CC2)CC1 ZINC000674020413 1074077695 /nfs/dbraw/zinc/07/76/95/1074077695.db2.gz MYYLJCWIZJMPOJ-SFHVURJKSA-N 1 2 416.522 1.876 20 0 HDADLO COC(=O)c1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)o1 ZINC001626093769 1074079662 /nfs/dbraw/zinc/07/96/62/1074079662.db2.gz OLWYWXPSWHKYLQ-UHFFFAOYSA-N 1 2 400.435 1.238 20 0 HDADLO CCCC[NH+]1CCC(NC(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CC1 ZINC000543555389 1074082081 /nfs/dbraw/zinc/08/20/81/1074082081.db2.gz PRFJCROCAYBJJU-UHFFFAOYSA-N 1 2 417.535 1.955 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl ZINC000674023070 1074082221 /nfs/dbraw/zinc/08/22/21/1074082221.db2.gz FUSPLRIDARYOKM-AWEZNQCLSA-N 1 2 408.973 1.860 20 0 HDADLO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000543555419 1074082463 /nfs/dbraw/zinc/08/24/63/1074082463.db2.gz QKXJSMXQFARHSZ-UHFFFAOYSA-N 1 2 417.491 1.077 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1F ZINC000674024239 1074084616 /nfs/dbraw/zinc/08/46/16/1074084616.db2.gz OHJZHAUMNOVBGZ-AWEZNQCLSA-N 1 2 410.508 1.484 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000674025680 1074086061 /nfs/dbraw/zinc/08/60/61/1074086061.db2.gz VMJWLOZKXSKQBU-GOSISDBHSA-N 1 2 414.593 1.695 20 0 HDADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000543560516 1074104248 /nfs/dbraw/zinc/10/42/48/1074104248.db2.gz GGQRDWKWVFYODX-OAHLLOKOSA-N 1 2 414.337 1.053 20 0 HDADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000543560516 1074104255 /nfs/dbraw/zinc/10/42/55/1074104255.db2.gz GGQRDWKWVFYODX-OAHLLOKOSA-N 1 2 414.337 1.053 20 0 HDADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCOc3ccc4ccccc4c3)CC2)CC1 ZINC000059385304 1074148196 /nfs/dbraw/zinc/14/81/96/1074148196.db2.gz YCOZPEBHQATOKV-UHFFFAOYSA-N 1 2 418.563 1.328 20 0 HDADLO O=C(Cn1cc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cn1)NCCO ZINC000429222691 1074185633 /nfs/dbraw/zinc/18/56/33/1074185633.db2.gz WGVUCBMRNTVMNK-UHFFFAOYSA-N 1 2 407.500 1.078 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000674199846 1074215752 /nfs/dbraw/zinc/21/57/52/1074215752.db2.gz YYLPMZSAGVDYHJ-INIZCTEOSA-N 1 2 424.505 1.142 20 0 HDADLO O=C(Nc1cccc(Cn2cccnc2=O)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674203083 1074217447 /nfs/dbraw/zinc/21/74/47/1074217447.db2.gz ZSFGPSKRMKQMBG-GOSISDBHSA-N 1 2 406.446 1.290 20 0 HDADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000674202436 1074218453 /nfs/dbraw/zinc/21/84/53/1074218453.db2.gz HGEMVKSRSFLVSD-LBPRGKRZSA-N 1 2 405.442 1.805 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H](CCO)C3)cc2)CC1 ZINC000674205626 1074220888 /nfs/dbraw/zinc/22/08/88/1074220888.db2.gz IXGBZDCCZYTNBJ-SFHVURJKSA-N 1 2 402.539 1.384 20 0 HDADLO CSc1ccncc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000674273156 1074252278 /nfs/dbraw/zinc/25/22/78/1074252278.db2.gz SFXKVNSDNPAVJZ-OAHLLOKOSA-N 1 2 414.535 1.464 20 0 HDADLO CSc1ccncc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000674273155 1074252297 /nfs/dbraw/zinc/25/22/97/1074252297.db2.gz SFXKVNSDNPAVJZ-HNNXBMFYSA-N 1 2 414.535 1.464 20 0 HDADLO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CC[NH+](CCO)CC3)c2)c1 ZINC000674323807 1074273278 /nfs/dbraw/zinc/27/32/78/1074273278.db2.gz RMERYVRXBGYEEC-UHFFFAOYSA-N 1 2 417.531 1.854 20 0 HDADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)[C@H]3CCCN(c4ccccc4)C3=O)cc2C1 ZINC000509225145 1074290714 /nfs/dbraw/zinc/29/07/14/1074290714.db2.gz MKYHQGXRZIWZMA-HXUWFJFHSA-N 1 2 406.486 1.912 20 0 HDADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)[C@H]3CCCN(c4ccccc4)C3=O)cc2C1 ZINC000509225145 1074290723 /nfs/dbraw/zinc/29/07/23/1074290723.db2.gz MKYHQGXRZIWZMA-HXUWFJFHSA-N 1 2 406.486 1.912 20 0 HDADLO Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1S(N)(=O)=O ZINC000674368153 1074296573 /nfs/dbraw/zinc/29/65/73/1074296573.db2.gz JFIAMFKSDUJUGQ-SFHVURJKSA-N 1 2 403.504 1.273 20 0 HDADLO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1S(N)(=O)=O ZINC000674368153 1074296580 /nfs/dbraw/zinc/29/65/80/1074296580.db2.gz JFIAMFKSDUJUGQ-SFHVURJKSA-N 1 2 403.504 1.273 20 0 HDADLO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1S(N)(=O)=O ZINC000674368152 1074296732 /nfs/dbraw/zinc/29/67/32/1074296732.db2.gz JFIAMFKSDUJUGQ-GOSISDBHSA-N 1 2 403.504 1.273 20 0 HDADLO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1S(N)(=O)=O ZINC000674368152 1074296733 /nfs/dbraw/zinc/29/67/33/1074296733.db2.gz JFIAMFKSDUJUGQ-GOSISDBHSA-N 1 2 403.504 1.273 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000674428628 1074316992 /nfs/dbraw/zinc/31/69/92/1074316992.db2.gz IIDLFWOOZIGNSC-XOBRGWDASA-N 1 2 414.441 1.531 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000674441321 1074339672 /nfs/dbraw/zinc/33/96/72/1074339672.db2.gz ULKUQHRVIVAKFZ-BEFAXECRSA-N 1 2 405.524 1.296 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000674441331 1074340138 /nfs/dbraw/zinc/34/01/38/1074340138.db2.gz ULKUQHRVIVAKFZ-KXBFYZLASA-N 1 2 405.524 1.296 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CCN2C1=O ZINC000674470160 1074368016 /nfs/dbraw/zinc/36/80/16/1074368016.db2.gz PXRSARDTEYEJMK-LRDDRELGSA-N 1 2 410.877 1.794 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CCN2C1=O ZINC000674470160 1074368021 /nfs/dbraw/zinc/36/80/21/1074368021.db2.gz PXRSARDTEYEJMK-LRDDRELGSA-N 1 2 410.877 1.794 20 0 HDADLO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000509226394 1074369556 /nfs/dbraw/zinc/36/95/56/1074369556.db2.gz QGCYHPKOQMPOBG-FGTMMUONSA-N 1 2 416.522 1.414 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCc3ccc(OC(C)C)cc3)CCN2C1=O ZINC000674502501 1074398423 /nfs/dbraw/zinc/39/84/23/1074398423.db2.gz XTNQFWMPBXYSOF-GOSISDBHSA-N 1 2 402.495 1.101 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCc3ccc(OC(C)C)cc3)CCN2C1=O ZINC000674502501 1074398432 /nfs/dbraw/zinc/39/84/32/1074398432.db2.gz XTNQFWMPBXYSOF-GOSISDBHSA-N 1 2 402.495 1.101 20 0 HDADLO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674581900 1074461152 /nfs/dbraw/zinc/46/11/52/1074461152.db2.gz DEJSDKHNPVYYOL-GFCCVEGCSA-N 1 2 414.275 1.850 20 0 HDADLO CC(C)[C@@H](C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000509232134 1074479774 /nfs/dbraw/zinc/47/97/74/1074479774.db2.gz IXLQGRDNEBCOEV-HLIPFELVSA-N 1 2 423.579 1.994 20 0 HDADLO COCCn1cc(S(=O)(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000509231670 1074484307 /nfs/dbraw/zinc/48/43/07/1074484307.db2.gz GNYIOIOLYXICGP-MRXNPFEDSA-N 1 2 421.523 1.028 20 0 HDADLO COCCn1cc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000509231670 1074484310 /nfs/dbraw/zinc/48/43/10/1074484310.db2.gz GNYIOIOLYXICGP-MRXNPFEDSA-N 1 2 421.523 1.028 20 0 HDADLO C[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674666363 1074509953 /nfs/dbraw/zinc/50/99/53/1074509953.db2.gz SWICIUGJMBBUAT-KXBFYZLASA-N 1 2 412.577 1.518 20 0 HDADLO CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000674793521 1074568596 /nfs/dbraw/zinc/56/85/96/1074568596.db2.gz XEFRLHAPXQDTDT-MAUKXSAKSA-N 1 2 418.538 1.897 20 0 HDADLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(Cn4cccn4)on3)n2)c1C ZINC000509236659 1074581014 /nfs/dbraw/zinc/58/10/14/1074581014.db2.gz SBCSNOHDFOPNID-UHFFFAOYSA-N 1 2 408.422 1.832 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000674889115 1074597865 /nfs/dbraw/zinc/59/78/65/1074597865.db2.gz NJLUXKIPRXHPRD-UHFFFAOYSA-N 1 2 416.481 1.967 20 0 HDADLO O=C(CN1CCO[C@@H]([C@H]2CCCO2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000674913629 1074618860 /nfs/dbraw/zinc/61/88/60/1074618860.db2.gz GEAXVAXCRDKAEN-NHCUHLMSSA-N 1 2 403.523 1.015 20 0 HDADLO O=C(CN1CCO[C@H]([C@H]2CCCO2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000674913630 1074618870 /nfs/dbraw/zinc/61/88/70/1074618870.db2.gz GEAXVAXCRDKAEN-RTWAWAEBSA-N 1 2 403.523 1.015 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674919655 1074621119 /nfs/dbraw/zinc/62/11/19/1074621119.db2.gz BPXWTJSILYUPKB-NHCUHLMSSA-N 1 2 419.522 1.487 20 0 HDADLO CS(=O)(=O)N1CCC[C@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC001128909296 1074662667 /nfs/dbraw/zinc/66/26/67/1074662667.db2.gz FLGRZJMNSYYMBI-HNNXBMFYSA-N 1 2 400.570 1.279 20 0 HDADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)nn1-c1cccc(F)c1 ZINC000537380965 1074715032 /nfs/dbraw/zinc/71/50/32/1074715032.db2.gz HMRWDAFGLQVGKS-UHFFFAOYSA-N 1 2 417.485 1.828 20 0 HDADLO COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)CC2 ZINC000675106379 1074722025 /nfs/dbraw/zinc/72/20/25/1074722025.db2.gz WBVDSUXQPPEBTI-IAGOWNOFSA-N 1 2 409.494 1.756 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCCN(c4ncccn4)C3)ccn2)CC1 ZINC000543614317 1074730206 /nfs/dbraw/zinc/73/02/06/1074730206.db2.gz FJWZVXPJVQHSDH-KRWDZBQOSA-N 1 2 424.509 1.050 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(C)(C)c3ccccc32)CC1 ZINC000675126771 1074731575 /nfs/dbraw/zinc/73/15/75/1074731575.db2.gz MNEVRTARZJVWAR-UHFFFAOYSA-N 1 2 405.506 1.810 20 0 HDADLO CC(F)(F)c1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000551614747 1074736019 /nfs/dbraw/zinc/73/60/19/1074736019.db2.gz KMHYFKQXEHZHMH-UHFFFAOYSA-N 1 2 421.448 1.582 20 0 HDADLO CN(C)C(=O)c1ccc(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000543615158 1074739483 /nfs/dbraw/zinc/73/94/83/1074739483.db2.gz SIOLAJYNJMTJLW-UHFFFAOYSA-N 1 2 424.505 1.493 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)CCN2C1=O ZINC000675140273 1074740188 /nfs/dbraw/zinc/74/01/88/1074740188.db2.gz ITYKNOSGLDRMMC-QAPCUYQASA-N 1 2 415.494 1.580 20 0 HDADLO O=C(CSc1ccccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCCC1 ZINC000675219064 1074760030 /nfs/dbraw/zinc/76/00/30/1074760030.db2.gz VYWBUGOJPGFTSN-KRWDZBQOSA-N 1 2 403.548 1.948 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000675219174 1074761170 /nfs/dbraw/zinc/76/11/70/1074761170.db2.gz DWCQUNTXRQUADM-JKSUJKDBSA-N 1 2 413.565 1.143 20 0 HDADLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000675219294 1074762716 /nfs/dbraw/zinc/76/27/16/1074762716.db2.gz LSJVVINUXFLFFE-IBGZPJMESA-N 1 2 421.563 1.716 20 0 HDADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C1CCN(CC(F)(F)F)CC1 ZINC000509239275 1074766090 /nfs/dbraw/zinc/76/60/90/1074766090.db2.gz YSWFJVPQGAHNPN-CQSZACIVSA-N 1 2 401.495 1.291 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000675252122 1074769488 /nfs/dbraw/zinc/76/94/88/1074769488.db2.gz SPGRUOXYQNWKAR-GOSISDBHSA-N 1 2 405.524 1.768 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000675252122 1074769490 /nfs/dbraw/zinc/76/94/90/1074769490.db2.gz SPGRUOXYQNWKAR-GOSISDBHSA-N 1 2 405.524 1.768 20 0 HDADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448530811 1074775224 /nfs/dbraw/zinc/77/52/24/1074775224.db2.gz YECXPUUWEJGUTG-UHFFFAOYSA-N 1 2 420.395 1.988 20 0 HDADLO C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]1n1cc[nH+]c1 ZINC000675256277 1074779629 /nfs/dbraw/zinc/77/96/29/1074779629.db2.gz ZZCSDYCUMJCJSX-HUUCEWRRSA-N 1 2 408.480 1.220 20 0 HDADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000675258940 1074779937 /nfs/dbraw/zinc/77/99/37/1074779937.db2.gz QJBHPFBYJBCCIE-BPUTZDHNSA-N 1 2 406.512 1.863 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000675287676 1074780998 /nfs/dbraw/zinc/78/09/98/1074780998.db2.gz KGQVGGUBDKXFMY-CQSZACIVSA-N 1 2 419.507 1.259 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000675287676 1074781006 /nfs/dbraw/zinc/78/10/06/1074781006.db2.gz KGQVGGUBDKXFMY-CQSZACIVSA-N 1 2 419.507 1.259 20 0 HDADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280849 1074785687 /nfs/dbraw/zinc/78/56/87/1074785687.db2.gz LNLABNPHBADZOH-MJGOQNOKSA-N 1 2 401.507 1.623 20 0 HDADLO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000675295126 1074790109 /nfs/dbraw/zinc/79/01/09/1074790109.db2.gz SIDDGXXDQPHMGK-HNNXBMFYSA-N 1 2 417.416 1.316 20 0 HDADLO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000675295126 1074790111 /nfs/dbraw/zinc/79/01/11/1074790111.db2.gz SIDDGXXDQPHMGK-HNNXBMFYSA-N 1 2 417.416 1.316 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1nnc(CC(F)(F)F)s1 ZINC000483949564 1074793658 /nfs/dbraw/zinc/79/36/58/1074793658.db2.gz CIEFKFQQYJFUGQ-ZDUSSCGKSA-N 1 2 411.475 1.972 20 0 HDADLO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675326165 1074800150 /nfs/dbraw/zinc/80/01/50/1074800150.db2.gz KEVWOJBNMBSTAG-IAGOWNOFSA-N 1 2 415.881 1.622 20 0 HDADLO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000675397759 1075124287 /nfs/dbraw/zinc/12/42/87/1075124287.db2.gz RCDHKTQZGPTGIT-IEBWSBKVSA-N 1 2 411.506 1.754 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000483700192 1075148928 /nfs/dbraw/zinc/14/89/28/1075148928.db2.gz OWVCACCSEGAIDX-WMZOPIPTSA-N 1 2 421.448 1.698 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000483700192 1075148931 /nfs/dbraw/zinc/14/89/31/1075148931.db2.gz OWVCACCSEGAIDX-WMZOPIPTSA-N 1 2 421.448 1.698 20 0 HDADLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC000675494541 1075177887 /nfs/dbraw/zinc/17/78/87/1075177887.db2.gz BHZZSXZRCGNFIO-QGZVFWFLSA-N 1 2 415.515 1.800 20 0 HDADLO O=C(Nc1ccn(CC(F)F)n1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000444507471 1075179454 /nfs/dbraw/zinc/17/94/54/1075179454.db2.gz RGKDDZSIDQQUKW-UHFFFAOYSA-N 1 2 409.412 1.960 20 0 HDADLO O=C(Nc1ccn(CC(F)F)n1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000444507471 1075179455 /nfs/dbraw/zinc/17/94/55/1075179455.db2.gz RGKDDZSIDQQUKW-UHFFFAOYSA-N 1 2 409.412 1.960 20 0 HDADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC000519862743 1075184210 /nfs/dbraw/zinc/18/42/10/1075184210.db2.gz HCWHOFPPLLVOGS-UYAOXDASSA-N 1 2 414.506 1.883 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000443599841 1075189040 /nfs/dbraw/zinc/18/90/40/1075189040.db2.gz BTMOKXKPVADINS-SFHVURJKSA-N 1 2 418.542 1.661 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cnc2c(F)cc(F)cc2c1O ZINC000497560100 1075190343 /nfs/dbraw/zinc/19/03/43/1075190343.db2.gz NXTMZDVQOBCRAU-UHFFFAOYSA-N 1 2 403.389 1.587 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000541424412 1075190395 /nfs/dbraw/zinc/19/03/95/1075190395.db2.gz UDMUQZLMWSGFQI-UHFFFAOYSA-N 1 2 410.434 1.586 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000442478606 1075190479 /nfs/dbraw/zinc/19/04/79/1075190479.db2.gz CWVVYYRACIQYNP-LJQANCHMSA-N 1 2 421.505 1.766 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(OCc2ccccn2)cc1 ZINC000461113663 1075191317 /nfs/dbraw/zinc/19/13/17/1075191317.db2.gz XGENFJNCSDQZOM-UHFFFAOYSA-N 1 2 407.474 2.442 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccn(-c2c(F)cccc2F)n1 ZINC000487257086 1075191803 /nfs/dbraw/zinc/19/18/03/1075191803.db2.gz SMKVPBCMOZEXEO-UHFFFAOYSA-N 1 2 402.405 1.932 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000429359804 1075200365 /nfs/dbraw/zinc/20/03/65/1075200365.db2.gz FBBZSLJQPLWCGQ-FQEVSTJZSA-N 1 2 413.474 1.531 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000429359804 1075200371 /nfs/dbraw/zinc/20/03/71/1075200371.db2.gz FBBZSLJQPLWCGQ-FQEVSTJZSA-N 1 2 413.474 1.531 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCC(S(C)(=O)=O)CC2)CC1 ZINC000675529065 1075200494 /nfs/dbraw/zinc/20/04/94/1075200494.db2.gz BWUMZJOCXGNACU-UHFFFAOYSA-N 1 2 408.524 1.115 20 0 HDADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CC[C@H](CS(C)(=O)=O)C3)n2)CC1 ZINC000429360123 1075210948 /nfs/dbraw/zinc/21/09/48/1075210948.db2.gz FMKLGQWZUDXQDA-HNNXBMFYSA-N 1 2 414.597 1.680 20 0 HDADLO COCCn1nnc2c1CCN(C(=O)c1cccc(CNc3cc[nH+]c(C)n3)c1)C2 ZINC000499126371 1075217769 /nfs/dbraw/zinc/21/77/69/1075217769.db2.gz KUQGMZFASRHOMJ-UHFFFAOYSA-N 1 2 407.478 1.834 20 0 HDADLO CSc1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000509356085 1075234290 /nfs/dbraw/zinc/23/42/90/1075234290.db2.gz OJAYCSXJXOFBFC-UHFFFAOYSA-N 1 2 420.560 1.821 20 0 HDADLO CC(C)[C@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000675643822 1075246441 /nfs/dbraw/zinc/24/64/41/1075246441.db2.gz NCDGTVKJYFQGLC-KNQAVFIVSA-N 1 2 419.591 1.573 20 0 HDADLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000675643822 1075246444 /nfs/dbraw/zinc/24/64/44/1075246444.db2.gz NCDGTVKJYFQGLC-KNQAVFIVSA-N 1 2 419.591 1.573 20 0 HDADLO O=C(Nc1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675702116 1075256886 /nfs/dbraw/zinc/25/68/86/1075256886.db2.gz SIDJCLJQWTVEEN-IAGOWNOFSA-N 1 2 403.479 1.546 20 0 HDADLO Cc1cc([C@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(C)s1 ZINC000533318861 1075259304 /nfs/dbraw/zinc/25/93/04/1075259304.db2.gz MZAUIKLRAONGQR-AWEZNQCLSA-N 1 2 405.524 1.710 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCN(c2ncccn2)CC1 ZINC000675741130 1075266789 /nfs/dbraw/zinc/26/67/89/1075266789.db2.gz CBCVNXWTEBQHQG-UHFFFAOYSA-N 1 2 423.521 1.086 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675745749 1075267692 /nfs/dbraw/zinc/26/76/92/1075267692.db2.gz CWQNDAGKPDIQSH-SFHVURJKSA-N 1 2 412.494 1.525 20 0 HDADLO CN(Cc1nnc2ccccn21)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675775440 1075269404 /nfs/dbraw/zinc/26/94/04/1075269404.db2.gz DOGSLGSPASQFRN-UHFFFAOYSA-N 1 2 407.478 1.212 20 0 HDADLO C[C@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000675812437 1075275556 /nfs/dbraw/zinc/27/55/56/1075275556.db2.gz WLYDVFXGDVKBQX-CRAIPNDOSA-N 1 2 405.520 1.802 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675889891 1075287175 /nfs/dbraw/zinc/28/71/75/1075287175.db2.gz AYMSVFMXVLPURD-QGZVFWFLSA-N 1 2 404.515 1.270 20 0 HDADLO CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000444903290 1075290469 /nfs/dbraw/zinc/29/04/69/1075290469.db2.gz XOJIALGPAHPIHL-FQEVSTJZSA-N 1 2 407.515 1.658 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129122062 1075290865 /nfs/dbraw/zinc/29/08/65/1075290865.db2.gz AJZGTFFILSRAOU-QTMHVTGLSA-N 1 2 402.543 1.314 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129122062 1075290869 /nfs/dbraw/zinc/29/08/69/1075290869.db2.gz AJZGTFFILSRAOU-QTMHVTGLSA-N 1 2 402.543 1.314 20 0 HDADLO Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731336130 1075308273 /nfs/dbraw/zinc/30/82/73/1075308273.db2.gz NWPICRIIRNABCI-OBGWFSINSA-N 1 2 408.466 1.147 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000731445912 1075342405 /nfs/dbraw/zinc/34/24/05/1075342405.db2.gz JFJLEUIFNBNNMU-UHFFFAOYSA-N 1 2 413.478 1.560 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000731445912 1075342412 /nfs/dbraw/zinc/34/24/12/1075342412.db2.gz JFJLEUIFNBNNMU-UHFFFAOYSA-N 1 2 413.478 1.560 20 0 HDADLO CN(C)C(=O)Sc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000731441110 1075354953 /nfs/dbraw/zinc/35/49/53/1075354953.db2.gz KKMOPAXZNXPMCY-OAHLLOKOSA-N 1 2 420.535 1.580 20 0 HDADLO CCn1c(N)c(C(=O)C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O ZINC000731484005 1075366672 /nfs/dbraw/zinc/36/66/72/1075366672.db2.gz LBGCQLDCTRDZPR-QGZVFWFLSA-N 1 2 420.897 1.833 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000804087676 1075377644 /nfs/dbraw/zinc/37/76/44/1075377644.db2.gz IJHBFJZDAJXTMV-HZPDHXFCSA-N 1 2 419.526 1.999 20 0 HDADLO CCOC1CC(CNC(=O)[C@H]2CCCN2C(=O)C2CCCC2)([NH+]2CCOCC2)C1 ZINC000470213026 1075379080 /nfs/dbraw/zinc/37/90/80/1075379080.db2.gz ZBAMFLGSYPGAQI-GSVIPDFHSA-N 1 2 407.555 1.554 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)C2)o1 ZINC000676116548 1075379181 /nfs/dbraw/zinc/37/91/81/1075379181.db2.gz PAVCFFJMFLITAS-RTBURBONSA-N 1 2 412.490 1.443 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)C2)o1 ZINC000676116548 1075379185 /nfs/dbraw/zinc/37/91/85/1075379185.db2.gz PAVCFFJMFLITAS-RTBURBONSA-N 1 2 412.490 1.443 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)C2)o1 ZINC000676118539 1075380689 /nfs/dbraw/zinc/38/06/89/1075380689.db2.gz PAVCFFJMFLITAS-OALUTQOASA-N 1 2 412.490 1.443 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)C2)o1 ZINC000676118539 1075380696 /nfs/dbraw/zinc/38/06/96/1075380696.db2.gz PAVCFFJMFLITAS-OALUTQOASA-N 1 2 412.490 1.443 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429396968 1075381566 /nfs/dbraw/zinc/38/15/66/1075381566.db2.gz YAJBXQSGLAFYAW-HNNXBMFYSA-N 1 2 414.428 1.784 20 0 HDADLO CN(CCOC(C)(C)C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000676101890 1075382491 /nfs/dbraw/zinc/38/24/91/1075382491.db2.gz GGASUWOSRIVVMG-UHFFFAOYSA-N 1 2 404.511 1.286 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000676102664 1075383243 /nfs/dbraw/zinc/38/32/43/1075383243.db2.gz AOILGUWGBOWGJM-MRXNPFEDSA-N 1 2 414.506 1.231 20 0 HDADLO CN(CCCNC(=S)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731570255 1075390726 /nfs/dbraw/zinc/39/07/26/1075390726.db2.gz SAHCQRPJPXEVEL-UHFFFAOYSA-N 1 2 412.625 1.486 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000804090540 1075396337 /nfs/dbraw/zinc/39/63/37/1075396337.db2.gz KEQWGEHWAAJILA-BRWVUGGUSA-N 1 2 419.526 1.999 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000426923245 1075397934 /nfs/dbraw/zinc/39/79/34/1075397934.db2.gz AOOZAEWVZFPSEW-INIZCTEOSA-N 1 2 408.462 1.628 20 0 HDADLO CC(C)[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1nnc2ccccn21 ZINC000804100919 1075401593 /nfs/dbraw/zinc/40/15/93/1075401593.db2.gz JEPNETDGAQRJGC-NVXWUHKLSA-N 1 2 409.494 1.682 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000509385126 1075406868 /nfs/dbraw/zinc/40/68/68/1075406868.db2.gz HDWLCBOTOHJWSG-CALCHBBNSA-N 1 2 419.551 1.548 20 0 HDADLO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)CC1 ZINC000509386985 1075414446 /nfs/dbraw/zinc/41/44/46/1075414446.db2.gz NBSMSNSLVWSAQW-UHFFFAOYSA-N 1 2 415.563 1.358 20 0 HDADLO O=Cc1cccc(OCCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000731622044 1075416936 /nfs/dbraw/zinc/41/69/36/1075416936.db2.gz KOWGDFBESQMJGN-UHFFFAOYSA-N 1 2 410.474 1.518 20 0 HDADLO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648396 1075426904 /nfs/dbraw/zinc/42/69/04/1075426904.db2.gz NKXAKYPLGSRDJL-OAHLLOKOSA-N 1 2 405.561 1.161 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CSc2ccc3c(c2)OCCO3)CC1 ZINC000731648350 1075426968 /nfs/dbraw/zinc/42/69/68/1075426968.db2.gz LXUMRGCLUSXSJL-UHFFFAOYSA-N 1 2 414.549 1.175 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000731648245 1075427253 /nfs/dbraw/zinc/42/72/53/1075427253.db2.gz IRMQBKPVSITSDK-SFHVURJKSA-N 1 2 423.535 1.043 20 0 HDADLO CSc1ncc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1-c1ccccc1 ZINC000731648238 1075427277 /nfs/dbraw/zinc/42/72/77/1075427277.db2.gz IPIAGGOSWFOUON-UHFFFAOYSA-N 1 2 422.576 1.833 20 0 HDADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccccc1C ZINC000731650459 1075430822 /nfs/dbraw/zinc/43/08/22/1075430822.db2.gz FGVXTXOYEFNUGG-UHFFFAOYSA-N 1 2 404.536 1.728 20 0 HDADLO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650351 1075431307 /nfs/dbraw/zinc/43/13/07/1075431307.db2.gz FATMYLIPMJOWDZ-MRXNPFEDSA-N 1 2 401.573 1.039 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000731650171 1075431712 /nfs/dbraw/zinc/43/17/12/1075431712.db2.gz HAYBBRPQYNSWEG-LJQANCHMSA-N 1 2 423.560 1.241 20 0 HDADLO Cc1cn(-c2ncccc2F)nc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000448328804 1075433821 /nfs/dbraw/zinc/43/38/21/1075433821.db2.gz SBUIGDNAJHRRSV-MRXNPFEDSA-N 1 2 402.474 2.433 20 0 HDADLO CC[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1nc2ccccc2[nH]1 ZINC000731686495 1075446583 /nfs/dbraw/zinc/44/65/83/1075446583.db2.gz ATGXEWHWYPUXFT-OAHLLOKOSA-N 1 2 407.540 1.822 20 0 HDADLO CCC(=O)Nc1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731686111 1075447107 /nfs/dbraw/zinc/44/71/07/1075447107.db2.gz QIPXZNJNDMTTCB-UHFFFAOYSA-N 1 2 410.540 1.343 20 0 HDADLO COCCN(Cc1cccs1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686199 1075447579 /nfs/dbraw/zinc/44/75/79/1075447579.db2.gz NVNKWFLIQDMIAX-UHFFFAOYSA-N 1 2 403.570 1.415 20 0 HDADLO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731687535 1075449278 /nfs/dbraw/zinc/44/92/78/1075449278.db2.gz VXSXCYBSENWGCL-INIZCTEOSA-N 1 2 401.486 1.375 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000731686605 1075449471 /nfs/dbraw/zinc/44/94/71/1075449471.db2.gz FOHVOBQZNJSHOL-FQEVSTJZSA-N 1 2 416.547 1.979 20 0 HDADLO C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676256922 1075451686 /nfs/dbraw/zinc/45/16/86/1075451686.db2.gz JAMMHHXAVDBBEP-BEFAXECRSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676256922 1075451688 /nfs/dbraw/zinc/45/16/88/1075451688.db2.gz JAMMHHXAVDBBEP-BEFAXECRSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000676260696 1075458171 /nfs/dbraw/zinc/45/81/71/1075458171.db2.gz MQDOLCHWVFQIKG-GJZGRUSLSA-N 1 2 415.581 1.618 20 0 HDADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676260696 1075458176 /nfs/dbraw/zinc/45/81/76/1075458176.db2.gz MQDOLCHWVFQIKG-GJZGRUSLSA-N 1 2 415.581 1.618 20 0 HDADLO COc1ccc(F)cc1[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683009 1075466051 /nfs/dbraw/zinc/46/60/51/1075466051.db2.gz VEHYRVHAOWHUSO-ZDUSSCGKSA-N 1 2 401.504 1.704 20 0 HDADLO C[C@@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676251937 1075468482 /nfs/dbraw/zinc/46/84/82/1075468482.db2.gz SKBBKKJQLYTVCJ-VQIMIIECSA-N 1 2 410.946 1.765 20 0 HDADLO C[C@@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676251937 1075468483 /nfs/dbraw/zinc/46/84/83/1075468483.db2.gz SKBBKKJQLYTVCJ-VQIMIIECSA-N 1 2 410.946 1.765 20 0 HDADLO COCc1cc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1F ZINC000731684900 1075469480 /nfs/dbraw/zinc/46/94/80/1075469480.db2.gz NLLJNEXKACBYCH-UHFFFAOYSA-N 1 2 401.504 1.280 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000676271680 1075473944 /nfs/dbraw/zinc/47/39/44/1075473944.db2.gz WUAPYDFQJIORSX-UHFFFAOYSA-N 1 2 419.507 1.337 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000676271331 1075474228 /nfs/dbraw/zinc/47/42/28/1075474228.db2.gz PPANXRIKHSNIKZ-GUYCJALGSA-N 1 2 413.482 1.276 20 0 HDADLO O=C(COC(=O)c1n[nH]c2c1CCCC2)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000731705411 1075481278 /nfs/dbraw/zinc/48/12/78/1075481278.db2.gz DBEYYHXBYGFOBH-UHFFFAOYSA-N 1 2 424.501 1.725 20 0 HDADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[C@@H]1C[N@H+](C)CCO1 ZINC000676287234 1075492355 /nfs/dbraw/zinc/49/23/55/1075492355.db2.gz PNZCRVDZGULYCN-JSGCOSHPSA-N 1 2 413.521 1.269 20 0 HDADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676287234 1075492357 /nfs/dbraw/zinc/49/23/57/1075492357.db2.gz PNZCRVDZGULYCN-JSGCOSHPSA-N 1 2 413.521 1.269 20 0 HDADLO CC[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1nnc2n1CCCCC2 ZINC000444388924 1075500501 /nfs/dbraw/zinc/50/05/01/1075500501.db2.gz HQRBFLQOEPLLDM-INIZCTEOSA-N 1 2 416.530 1.806 20 0 HDADLO CCCCCc1nnc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000731751457 1075507603 /nfs/dbraw/zinc/50/76/03/1075507603.db2.gz OKDMLSQREODGJV-UHFFFAOYSA-N 1 2 403.574 1.901 20 0 HDADLO COC(=O)c1ccc(F)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731752413 1075508768 /nfs/dbraw/zinc/50/87/68/1075508768.db2.gz DLJGJYCZJWICRO-UHFFFAOYSA-N 1 2 401.460 1.243 20 0 HDADLO CCS(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731751778 1075509133 /nfs/dbraw/zinc/50/91/33/1075509133.db2.gz GHJCHPBPJYSGBY-UHFFFAOYSA-N 1 2 417.553 1.111 20 0 HDADLO CC(=O)Nc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1F ZINC000731751750 1075509413 /nfs/dbraw/zinc/50/94/13/1075509413.db2.gz DSNLHUVSEVZFBC-UHFFFAOYSA-N 1 2 400.476 1.415 20 0 HDADLO CCOC(=O)/C=C/c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731753137 1075509779 /nfs/dbraw/zinc/50/97/79/1075509779.db2.gz XYZKDSWTEKDISR-RMKNXTFCSA-N 1 2 423.535 1.893 20 0 HDADLO COCCCOc1ccccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731754201 1075510386 /nfs/dbraw/zinc/51/03/86/1075510386.db2.gz PEIGZGVWRAUHNE-UHFFFAOYSA-N 1 2 413.540 1.732 20 0 HDADLO Cc1cn(-c2ccccc2)nc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731755565 1075511588 /nfs/dbraw/zinc/51/15/88/1075511588.db2.gz AODYWRMMWALWBM-UHFFFAOYSA-N 1 2 405.524 1.811 20 0 HDADLO O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340252 1075513289 /nfs/dbraw/zinc/51/32/89/1075513289.db2.gz YGUUJPIUKGTZBJ-IBGZPJMESA-N 1 2 418.497 1.992 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000731761433 1075514856 /nfs/dbraw/zinc/51/48/56/1075514856.db2.gz LFQKJUCONKDCLJ-SFHVURJKSA-N 1 2 413.540 1.479 20 0 HDADLO Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000676341521 1075515601 /nfs/dbraw/zinc/51/56/01/1075515601.db2.gz STVUJGFKSHEQDB-RDJZCZTQSA-N 1 2 401.536 1.902 20 0 HDADLO COc1c[nH+]c(NCc2nnc3ccccn32)nc1NCc1nnc2ccccn21 ZINC000427518497 1075518691 /nfs/dbraw/zinc/51/86/91/1075518691.db2.gz GKBIOXAJUMHVQV-UHFFFAOYSA-N 1 2 402.422 1.795 20 0 HDADLO CCCCCc1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731764855 1075519736 /nfs/dbraw/zinc/51/97/36/1075519736.db2.gz GOSJDDKDGNOZOV-UHFFFAOYSA-N 1 2 423.579 1.983 20 0 HDADLO CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)o1 ZINC000480743036 1075523684 /nfs/dbraw/zinc/52/36/84/1075523684.db2.gz FSTCQVNOSGYRSL-KRWDZBQOSA-N 1 2 403.483 1.976 20 0 HDADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1F ZINC000676351265 1075527636 /nfs/dbraw/zinc/52/76/36/1075527636.db2.gz UFUVNRNMRQGNLQ-UHFFFAOYSA-N 1 2 411.440 1.579 20 0 HDADLO CC[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000429430849 1075530598 /nfs/dbraw/zinc/53/05/98/1075530598.db2.gz MHZKHFNKGJANGU-IBGZPJMESA-N 1 2 401.511 2.020 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NC[C@H]3CCC[C@H]3NS(C)(=O)=O)c2)cc[nH+]1 ZINC000544555143 1075538771 /nfs/dbraw/zinc/53/87/71/1075538771.db2.gz MWTGYMPOQPFPDB-QZTJIDSGSA-N 1 2 417.535 1.845 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)[nH+]c12 ZINC000676453773 1075558923 /nfs/dbraw/zinc/55/89/23/1075558923.db2.gz WWXLJTYDVQEHCH-INIZCTEOSA-N 1 2 405.458 1.544 20 0 HDADLO CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3cc(C(C)(C)C)on3)CC2)cn1 ZINC000497641493 1075560983 /nfs/dbraw/zinc/56/09/83/1075560983.db2.gz DUXFFICEIBRMDE-UHFFFAOYSA-N 1 2 402.499 1.862 20 0 HDADLO CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)Nc3cc(C(C)(C)C)on3)CC2)cn1 ZINC000497641493 1075560990 /nfs/dbraw/zinc/56/09/90/1075560990.db2.gz DUXFFICEIBRMDE-UHFFFAOYSA-N 1 2 402.499 1.862 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccc(N4CCCC4)nc3)c[nH+]2)CC1 ZINC000676495304 1075564959 /nfs/dbraw/zinc/56/49/59/1075564959.db2.gz MFUOHGOHBVPVDP-UHFFFAOYSA-N 1 2 416.551 1.771 20 0 HDADLO COCCOc1cccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c1 ZINC000676494670 1075565650 /nfs/dbraw/zinc/56/56/50/1075565650.db2.gz BXALAEUMDJQOSX-UHFFFAOYSA-N 1 2 420.535 1.801 20 0 HDADLO COc1ccccc1C1(CNC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC000676481234 1075566353 /nfs/dbraw/zinc/56/63/53/1075566353.db2.gz FSGYKLOLOZRHEX-UHFFFAOYSA-N 1 2 423.517 1.680 20 0 HDADLO COC(=O)c1cc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)oc1C ZINC000731965678 1075578130 /nfs/dbraw/zinc/57/81/30/1075578130.db2.gz PPOPXWGBMFRKQR-QGZVFWFLSA-N 1 2 408.451 1.131 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)c1 ZINC000731970022 1075579581 /nfs/dbraw/zinc/57/95/81/1075579581.db2.gz AVVZGENFHANDNK-BXKJMJEDSA-N 1 2 408.502 1.953 20 0 HDADLO Cc1onc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1C ZINC000550575906 1075582226 /nfs/dbraw/zinc/58/22/26/1075582226.db2.gz ALZDVUHOVGVOKC-HOTGVXAUSA-N 1 2 406.870 2.071 20 0 HDADLO Cc1onc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000550575906 1075582229 /nfs/dbraw/zinc/58/22/29/1075582229.db2.gz ALZDVUHOVGVOKC-HOTGVXAUSA-N 1 2 406.870 2.071 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cnn(Cc4ccncc4)c3)[nH+]c12 ZINC000676550964 1075584416 /nfs/dbraw/zinc/58/44/16/1075584416.db2.gz FJDWRFVZXHKELJ-UHFFFAOYSA-N 1 2 403.446 1.580 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1nc(-c2ccccc2)no1 ZINC000731988539 1075586800 /nfs/dbraw/zinc/58/68/00/1075586800.db2.gz YYYQEZDBXUSCNT-KRWDZBQOSA-N 1 2 414.462 1.493 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000676555522 1075588404 /nfs/dbraw/zinc/58/84/04/1075588404.db2.gz XUDLLNCGFUCFOI-OAHLLOKOSA-N 1 2 419.869 1.057 20 0 HDADLO CCC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccn1 ZINC000676549145 1075596069 /nfs/dbraw/zinc/59/60/69/1075596069.db2.gz CIWFUBWTAWUAIX-QGZVFWFLSA-N 1 2 400.483 1.206 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCCNS(=O)(=O)c3cccs3)[nH+]c12 ZINC000676568803 1075598626 /nfs/dbraw/zinc/59/86/26/1075598626.db2.gz MOFGFIRMZSPLLS-UHFFFAOYSA-N 1 2 407.521 1.524 20 0 HDADLO C[C@@H](c1cccc(NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)c1)[NH+]1CCOCC1 ZINC000439620711 1075599883 /nfs/dbraw/zinc/59/98/83/1075599883.db2.gz KQYVIARIBWCGBQ-AWEZNQCLSA-N 1 2 400.483 2.004 20 0 HDADLO COC1(CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCOCC1 ZINC000676566470 1075603221 /nfs/dbraw/zinc/60/32/21/1075603221.db2.gz HVIHURYZPFUWNB-UHFFFAOYSA-N 1 2 407.511 1.392 20 0 HDADLO O=C(CN1CCOCC1)N1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000466736253 1075606790 /nfs/dbraw/zinc/60/67/90/1075606790.db2.gz QRULAQMWSSCCBI-UHFFFAOYSA-N 1 2 417.428 1.440 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3(OC)CCOCC3)cc2)CC1 ZINC000676622917 1075622160 /nfs/dbraw/zinc/62/21/60/1075622160.db2.gz JCXQXZHBDUEFPQ-UHFFFAOYSA-N 1 2 418.538 1.074 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@H](C)S[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000571901371 1075627181 /nfs/dbraw/zinc/62/71/81/1075627181.db2.gz GQKSUKJJYNIBSJ-GJZGRUSLSA-N 1 2 415.567 1.966 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000732118631 1075628657 /nfs/dbraw/zinc/62/86/57/1075628657.db2.gz DGIDLJFUORKYDA-UHFFFAOYSA-N 1 2 403.932 1.385 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000676696960 1075650500 /nfs/dbraw/zinc/65/05/00/1075650500.db2.gz APQNPIGBTMALKI-LBPRGKRZSA-N 1 2 412.416 1.701 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1S(=O)(=O)N(C)C ZINC000676716659 1075658684 /nfs/dbraw/zinc/65/86/84/1075658684.db2.gz WPXHTGAIOFSLLT-KRWDZBQOSA-N 1 2 419.551 1.927 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1S(=O)(=O)N(C)C ZINC000676716659 1075658686 /nfs/dbraw/zinc/65/86/86/1075658686.db2.gz WPXHTGAIOFSLLT-KRWDZBQOSA-N 1 2 419.551 1.927 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676716862 1075659075 /nfs/dbraw/zinc/65/90/75/1075659075.db2.gz DAJCONMXDXMWIP-OAHLLOKOSA-N 1 2 407.496 1.024 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676716862 1075659078 /nfs/dbraw/zinc/65/90/78/1075659078.db2.gz DAJCONMXDXMWIP-OAHLLOKOSA-N 1 2 407.496 1.024 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676716861 1075659097 /nfs/dbraw/zinc/65/90/97/1075659097.db2.gz DAJCONMXDXMWIP-HNNXBMFYSA-N 1 2 407.496 1.024 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676716861 1075659101 /nfs/dbraw/zinc/65/91/01/1075659101.db2.gz DAJCONMXDXMWIP-HNNXBMFYSA-N 1 2 407.496 1.024 20 0 HDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000732207901 1075665136 /nfs/dbraw/zinc/66/51/36/1075665136.db2.gz CMVABHNISBHTLS-JVBGXYRNSA-N 1 2 421.563 1.631 20 0 HDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000732207901 1075665140 /nfs/dbraw/zinc/66/51/40/1075665140.db2.gz CMVABHNISBHTLS-JVBGXYRNSA-N 1 2 421.563 1.631 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000732208294 1075666276 /nfs/dbraw/zinc/66/62/76/1075666276.db2.gz XFPXHSRGDJDOHZ-LBPRGKRZSA-N 1 2 404.467 1.696 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000732208294 1075666278 /nfs/dbraw/zinc/66/62/78/1075666278.db2.gz XFPXHSRGDJDOHZ-LBPRGKRZSA-N 1 2 404.467 1.696 20 0 HDADLO O=C(CNC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccc(F)c(F)c1 ZINC000732213526 1075669154 /nfs/dbraw/zinc/66/91/54/1075669154.db2.gz WZANLNKMFQHDBK-HNNXBMFYSA-N 1 2 408.449 1.496 20 0 HDADLO O=C(CNC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccc(F)c(F)c1 ZINC000732213526 1075669160 /nfs/dbraw/zinc/66/91/60/1075669160.db2.gz WZANLNKMFQHDBK-HNNXBMFYSA-N 1 2 408.449 1.496 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)C1 ZINC000676738372 1075671060 /nfs/dbraw/zinc/67/10/60/1075671060.db2.gz PKINIBQLZDOAHO-HXUWFJFHSA-N 1 2 407.580 1.790 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)C1 ZINC000676738372 1075671065 /nfs/dbraw/zinc/67/10/65/1075671065.db2.gz PKINIBQLZDOAHO-HXUWFJFHSA-N 1 2 407.580 1.790 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732247630 1075679794 /nfs/dbraw/zinc/67/97/94/1075679794.db2.gz JITAPOOIFJIQOB-ZDUSSCGKSA-N 1 2 404.483 1.168 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732247630 1075679795 /nfs/dbraw/zinc/67/97/95/1075679795.db2.gz JITAPOOIFJIQOB-ZDUSSCGKSA-N 1 2 404.483 1.168 20 0 HDADLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1c1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000804209410 1075683016 /nfs/dbraw/zinc/68/30/16/1075683016.db2.gz YRETZPWAHMGCPE-ZDUSSCGKSA-N 1 2 407.352 1.919 20 0 HDADLO CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(c3ccnn3CCO)CC2)n1 ZINC000506084935 1075683963 /nfs/dbraw/zinc/68/39/63/1075683963.db2.gz GYVJJQPDDYIQIB-UHFFFAOYSA-N 1 2 422.537 1.750 20 0 HDADLO C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000429463362 1075689204 /nfs/dbraw/zinc/68/92/04/1075689204.db2.gz BIQJJEQNEQUCKE-HSZRJFAPSA-N 1 2 408.502 1.806 20 0 HDADLO CC(C)Cn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(=O)[nH]c1=O ZINC000028933851 1075690567 /nfs/dbraw/zinc/69/05/67/1075690567.db2.gz DHPJBOMPWANYJF-UHFFFAOYSA-N 1 2 410.421 1.691 20 0 HDADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(=O)[nH]c1=O ZINC000028933851 1075690568 /nfs/dbraw/zinc/69/05/68/1075690568.db2.gz DHPJBOMPWANYJF-UHFFFAOYSA-N 1 2 410.421 1.691 20 0 HDADLO CCCCNc1cc(NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)nc(N)[nH+]1 ZINC000553001856 1075691502 /nfs/dbraw/zinc/69/15/02/1075691502.db2.gz VYHUYFGIEWIUJO-CQSZACIVSA-N 1 2 400.483 1.429 20 0 HDADLO CCCCNc1cc(NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)[nH+]c(N)n1 ZINC000553001856 1075691504 /nfs/dbraw/zinc/69/15/04/1075691504.db2.gz VYHUYFGIEWIUJO-CQSZACIVSA-N 1 2 400.483 1.429 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000732302554 1075694036 /nfs/dbraw/zinc/69/40/36/1075694036.db2.gz JLYHCZAHZXDFHU-IKGGRYGDSA-N 1 2 413.440 1.503 20 0 HDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)n(C)n1 ZINC001084993165 1075699726 /nfs/dbraw/zinc/69/97/26/1075699726.db2.gz OZIGOTHBQOVKPU-IVQUFEJHSA-N 1 2 413.522 1.013 20 0 HDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)n(C)n1 ZINC001084993165 1075699727 /nfs/dbraw/zinc/69/97/27/1075699727.db2.gz OZIGOTHBQOVKPU-IVQUFEJHSA-N 1 2 413.522 1.013 20 0 HDADLO C[C@@H](C(=O)NCCC1N=NC(=S)N1C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732290903 1075700341 /nfs/dbraw/zinc/70/03/41/1075700341.db2.gz IEEIJXDAMROICA-AWEZNQCLSA-N 1 2 418.542 1.910 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606082891 1075704258 /nfs/dbraw/zinc/70/42/58/1075704258.db2.gz QOJMQHKKXZPKJC-GOSISDBHSA-N 1 2 418.501 1.998 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606082891 1075704266 /nfs/dbraw/zinc/70/42/66/1075704266.db2.gz QOJMQHKKXZPKJC-GOSISDBHSA-N 1 2 418.501 1.998 20 0 HDADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N2CCN3CCOC[C@H]3C2)c2ccc(Cl)cc2)C1 ZINC000543684906 1075706270 /nfs/dbraw/zinc/70/62/70/1075706270.db2.gz AVYUWCIFVDPPDX-CEXWTWQISA-N 1 2 408.930 1.438 20 0 HDADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N2CCN3CCOC[C@H]3C2)c2ccc(Cl)cc2)C1 ZINC000543684906 1075706274 /nfs/dbraw/zinc/70/62/74/1075706274.db2.gz AVYUWCIFVDPPDX-CEXWTWQISA-N 1 2 408.930 1.438 20 0 HDADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N2CCN3CCOC[C@@H]3C2)c2ccc(Cl)cc2)C1 ZINC000543684907 1075706463 /nfs/dbraw/zinc/70/64/63/1075706463.db2.gz AVYUWCIFVDPPDX-FHWLQOOXSA-N 1 2 408.930 1.438 20 0 HDADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N2CCN3CCOC[C@@H]3C2)c2ccc(Cl)cc2)C1 ZINC000543684907 1075706470 /nfs/dbraw/zinc/70/64/70/1075706470.db2.gz AVYUWCIFVDPPDX-FHWLQOOXSA-N 1 2 408.930 1.438 20 0 HDADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)c2ccc(Cl)cc2)C1 ZINC000543684908 1075706691 /nfs/dbraw/zinc/70/66/91/1075706691.db2.gz AVYUWCIFVDPPDX-GBESFXJTSA-N 1 2 408.930 1.438 20 0 HDADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)c2ccc(Cl)cc2)C1 ZINC000543684908 1075706697 /nfs/dbraw/zinc/70/66/97/1075706697.db2.gz AVYUWCIFVDPPDX-GBESFXJTSA-N 1 2 408.930 1.438 20 0 HDADLO CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000494143700 1075712350 /nfs/dbraw/zinc/71/23/50/1075712350.db2.gz ABYFHXOXIKCZFE-AEFFLSMTSA-N 1 2 408.466 1.613 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)CC2)cc1 ZINC000429474201 1075737485 /nfs/dbraw/zinc/73/74/85/1075737485.db2.gz RCJJPGACVUCICU-YVWKXTFCSA-N 1 2 400.523 1.922 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000515100929 1075749094 /nfs/dbraw/zinc/74/90/94/1075749094.db2.gz DWQLOVOAQRMXON-UHFFFAOYSA-N 1 2 413.389 1.588 20 0 HDADLO Cc1nnc(CN2CCN(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)CC2)[nH]1 ZINC000543593362 1075765413 /nfs/dbraw/zinc/76/54/13/1075765413.db2.gz GBYDTMRKKPRHDW-UHFFFAOYSA-N 1 2 410.482 1.738 20 0 HDADLO C[C@H](O)[C@@](C)(CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccccc1 ZINC000483781056 1075784281 /nfs/dbraw/zinc/78/42/81/1075784281.db2.gz ZAOKHZWLOJJTIN-PGRDOPGGSA-N 1 2 415.538 1.967 20 0 HDADLO COc1ccc(-c2nc(C[N@H+](CCO)CCN3CCOCC3)cs2)c(OC)c1 ZINC000487502824 1075797291 /nfs/dbraw/zinc/79/72/91/1075797291.db2.gz QIBJZOKEDUQKOJ-UHFFFAOYSA-N 1 2 407.536 1.954 20 0 HDADLO COc1ccc(-c2nc(C[N@@H+](CCO)CCN3CCOCC3)cs2)c(OC)c1 ZINC000487502824 1075797294 /nfs/dbraw/zinc/79/72/94/1075797294.db2.gz QIBJZOKEDUQKOJ-UHFFFAOYSA-N 1 2 407.536 1.954 20 0 HDADLO Cn1nnc2c1nccc2C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000509273389 1075797673 /nfs/dbraw/zinc/79/76/73/1075797673.db2.gz ZGUQRGGMACCPLU-HZPDHXFCSA-N 1 2 400.870 1.818 20 0 HDADLO Cn1nnc2c1nccc2C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000509273389 1075797675 /nfs/dbraw/zinc/79/76/75/1075797675.db2.gz ZGUQRGGMACCPLU-HZPDHXFCSA-N 1 2 400.870 1.818 20 0 HDADLO CNC(=O)C1CCC(Nc2nc(C)[nH+]c(NC3CCC(C(=O)NC)CC3)n2)CC1 ZINC000480019917 1075801042 /nfs/dbraw/zinc/80/10/42/1075801042.db2.gz SMWYTOPWUZJZQS-UHFFFAOYSA-N 1 2 403.531 1.613 20 0 HDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1 ZINC001063827927 1075802733 /nfs/dbraw/zinc/80/27/33/1075802733.db2.gz ZOQNRKMZVYWIPB-MJTDYWNISA-N 1 2 424.545 1.732 20 0 HDADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000509277673 1075810069 /nfs/dbraw/zinc/81/00/69/1075810069.db2.gz CDJJWJYWRBMMDK-OAHLLOKOSA-N 1 2 400.497 1.058 20 0 HDADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000509277673 1075810073 /nfs/dbraw/zinc/81/00/73/1075810073.db2.gz CDJJWJYWRBMMDK-OAHLLOKOSA-N 1 2 400.497 1.058 20 0 HDADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000611037097 1075817909 /nfs/dbraw/zinc/81/79/09/1075817909.db2.gz BPFRMQGOVCKABS-BZSNNMDCSA-N 1 2 416.584 1.856 20 0 HDADLO CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](CCC(=O)OCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000611037097 1075817915 /nfs/dbraw/zinc/81/79/15/1075817915.db2.gz BPFRMQGOVCKABS-BZSNNMDCSA-N 1 2 416.584 1.856 20 0 HDADLO CC(C)CCn1ccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000549765873 1075818448 /nfs/dbraw/zinc/81/84/48/1075818448.db2.gz DBDCOTRMJXJPCW-UHFFFAOYSA-N 1 2 412.538 2.254 20 0 HDADLO CNC(=O)Cn1nc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1C ZINC000504578027 1075820398 /nfs/dbraw/zinc/82/03/98/1075820398.db2.gz COXUKKIXPFHVCJ-MRXNPFEDSA-N 1 2 414.510 1.857 20 0 HDADLO CS(=O)(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000766155407 1075829334 /nfs/dbraw/zinc/82/93/34/1075829334.db2.gz PWJFCJOABIVJPS-UHFFFAOYSA-N 1 2 405.495 1.986 20 0 HDADLO O=C(/C=C/C1CCOCC1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000732694943 1075833568 /nfs/dbraw/zinc/83/35/68/1075833568.db2.gz UZLACBWWNUAZPR-DUXPYHPUSA-N 1 2 414.502 1.792 20 0 HDADLO O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000543606731 1075856655 /nfs/dbraw/zinc/85/66/55/1075856655.db2.gz JOFGZHVYHGQLCF-DFQSSKMNSA-N 1 2 419.497 1.343 20 0 HDADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000611165272 1075864930 /nfs/dbraw/zinc/86/49/30/1075864930.db2.gz PWVOWAOMKUMAMR-HOTGVXAUSA-N 1 2 406.870 1.718 20 0 HDADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000611165272 1075864932 /nfs/dbraw/zinc/86/49/32/1075864932.db2.gz PWVOWAOMKUMAMR-HOTGVXAUSA-N 1 2 406.870 1.718 20 0 HDADLO O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000732808757 1075871307 /nfs/dbraw/zinc/87/13/07/1075871307.db2.gz KTLNHFXGFVVJGB-HNNXBMFYSA-N 1 2 402.451 1.540 20 0 HDADLO O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000732808757 1075871309 /nfs/dbraw/zinc/87/13/09/1075871309.db2.gz KTLNHFXGFVVJGB-HNNXBMFYSA-N 1 2 402.451 1.540 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1S(N)(=O)=O ZINC000732813342 1075874014 /nfs/dbraw/zinc/87/40/14/1075874014.db2.gz VWSDJKOLJWGGNS-MRXNPFEDSA-N 1 2 408.524 1.058 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1S(N)(=O)=O ZINC000732813342 1075874017 /nfs/dbraw/zinc/87/40/17/1075874017.db2.gz VWSDJKOLJWGGNS-MRXNPFEDSA-N 1 2 408.524 1.058 20 0 HDADLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1OC ZINC000732818911 1075878765 /nfs/dbraw/zinc/87/87/65/1075878765.db2.gz LRPQTXJVQWNEKF-DLBZAZTESA-N 1 2 415.490 1.813 20 0 HDADLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1OC ZINC000732818911 1075878771 /nfs/dbraw/zinc/87/87/71/1075878771.db2.gz LRPQTXJVQWNEKF-DLBZAZTESA-N 1 2 415.490 1.813 20 0 HDADLO CCOCCCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911812 1075910078 /nfs/dbraw/zinc/91/00/78/1075910078.db2.gz GKGXYTXACQPNTB-MRXNPFEDSA-N 1 2 408.572 1.173 20 0 HDADLO CCOCCCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911812 1075910083 /nfs/dbraw/zinc/91/00/83/1075910083.db2.gz GKGXYTXACQPNTB-MRXNPFEDSA-N 1 2 408.572 1.173 20 0 HDADLO Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915440 1075911592 /nfs/dbraw/zinc/91/15/92/1075911592.db2.gz IBLUWWFZYNZGGT-AWEZNQCLSA-N 1 2 419.917 1.407 20 0 HDADLO Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915440 1075911594 /nfs/dbraw/zinc/91/15/94/1075911594.db2.gz IBLUWWFZYNZGGT-AWEZNQCLSA-N 1 2 419.917 1.407 20 0 HDADLO CC1=C(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C(=O)OC1(C)C ZINC000732915268 1075911863 /nfs/dbraw/zinc/91/18/63/1075911863.db2.gz CUKFDPJVDFKINW-HNNXBMFYSA-N 1 2 415.494 1.050 20 0 HDADLO CC1=C(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C(=O)OC1(C)C ZINC000732915268 1075911867 /nfs/dbraw/zinc/91/18/67/1075911867.db2.gz CUKFDPJVDFKINW-HNNXBMFYSA-N 1 2 415.494 1.050 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccnc(Cl)c1 ZINC000732916459 1075912851 /nfs/dbraw/zinc/91/28/51/1075912851.db2.gz RQAYKSHRJAXTSG-OAHLLOKOSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccnc(Cl)c1 ZINC000732916459 1075912856 /nfs/dbraw/zinc/91/28/56/1075912856.db2.gz RQAYKSHRJAXTSG-OAHLLOKOSA-N 1 2 402.886 1.760 20 0 HDADLO COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1C ZINC000611459843 1075941443 /nfs/dbraw/zinc/94/14/43/1075941443.db2.gz MRINLVVTMVGIPM-CABCVRRESA-N 1 2 409.508 1.541 20 0 HDADLO COC(=O)Cn1cc(CC[N@@H+]2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)nn1 ZINC000611531645 1075953579 /nfs/dbraw/zinc/95/35/79/1075953579.db2.gz PNLKHYYXNGEHJX-FQEVSTJZSA-N 1 2 424.505 1.870 20 0 HDADLO COC(=O)Cn1cc(CC[N@H+]2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)nn1 ZINC000611531645 1075953581 /nfs/dbraw/zinc/95/35/81/1075953581.db2.gz PNLKHYYXNGEHJX-FQEVSTJZSA-N 1 2 424.505 1.870 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000611540793 1075954901 /nfs/dbraw/zinc/95/49/01/1075954901.db2.gz YIJPFLXWHULTPB-LSDHHAIUSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000611540806 1075955183 /nfs/dbraw/zinc/95/51/83/1075955183.db2.gz ZIPOMCJYJFGDQW-JKSUJKDBSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611540764 1075956946 /nfs/dbraw/zinc/95/69/46/1075956946.db2.gz WQQDTXJIRGEVNH-GJZGRUSLSA-N 1 2 402.900 1.346 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000733151698 1075987079 /nfs/dbraw/zinc/98/70/79/1075987079.db2.gz LFSWVGUYOTUVJZ-ISPGYRLHSA-N 1 2 407.518 1.605 20 0 HDADLO CO[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973382 1076021378 /nfs/dbraw/zinc/02/13/78/1076021378.db2.gz LANAFHAPHIOGJB-AIOUOQGWSA-N 1 2 400.928 1.768 20 0 HDADLO CO[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973382 1076021383 /nfs/dbraw/zinc/02/13/83/1076021383.db2.gz LANAFHAPHIOGJB-AIOUOQGWSA-N 1 2 400.928 1.768 20 0 HDADLO O=C(CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)N1CCOCC1 ZINC000052838836 1076032371 /nfs/dbraw/zinc/03/23/71/1076032371.db2.gz XBSUIKJOOTXBIR-UHFFFAOYSA-N 1 2 413.440 1.989 20 0 HDADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000727072828 1076033592 /nfs/dbraw/zinc/03/35/92/1076033592.db2.gz ZPSKGQIMHQJPDU-CYBMUJFWSA-N 1 2 404.989 1.442 20 0 HDADLO CC(C)(CNC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1)[NH+]1CCOCC1 ZINC000053531218 1076058519 /nfs/dbraw/zinc/05/85/19/1076058519.db2.gz HABPUFKTAREQGV-UHFFFAOYSA-N 1 2 401.511 1.787 20 0 HDADLO Cc1ccc(F)c(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000727214268 1076083376 /nfs/dbraw/zinc/08/33/76/1076083376.db2.gz HSZZHDBQWCFXOW-UHFFFAOYSA-N 1 2 412.425 1.316 20 0 HDADLO C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)CCO1 ZINC000727434765 1076118967 /nfs/dbraw/zinc/11/89/67/1076118967.db2.gz MOAXHDFCWWOXKP-HUUCEWRRSA-N 1 2 415.490 1.548 20 0 HDADLO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC(=O)N4CCO[C@@H](C)C4)CC3)cc2NC1=O ZINC000727434774 1076119112 /nfs/dbraw/zinc/11/91/12/1076119112.db2.gz MOAXHDFCWWOXKP-LSDHHAIUSA-N 1 2 415.490 1.548 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)NC(=O)N[C@H]1C ZINC000727436786 1076120109 /nfs/dbraw/zinc/12/01/09/1076120109.db2.gz KZSKPNINCCUOPU-LBPRGKRZSA-N 1 2 404.467 1.301 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000733613644 1076129660 /nfs/dbraw/zinc/12/96/60/1076129660.db2.gz FPUFOQTZSAVGSR-GOSISDBHSA-N 1 2 417.506 1.995 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000733613644 1076129661 /nfs/dbraw/zinc/12/96/61/1076129661.db2.gz FPUFOQTZSAVGSR-GOSISDBHSA-N 1 2 417.506 1.995 20 0 HDADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000727493151 1076137295 /nfs/dbraw/zinc/13/72/95/1076137295.db2.gz HMSLQHGYOYDGOP-HNNXBMFYSA-N 1 2 410.496 1.342 20 0 HDADLO CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531922923 1076237799 /nfs/dbraw/zinc/23/77/99/1076237799.db2.gz WZFFDDNQKDFDRP-HKUYNNGSSA-N 1 2 402.495 1.652 20 0 HDADLO COCCn1c(N)c(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O ZINC000058457693 1076238903 /nfs/dbraw/zinc/23/89/03/1076238903.db2.gz XIYFFRDMXZLEMA-UHFFFAOYSA-N 1 2 422.485 1.650 20 0 HDADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000533827477 1076244790 /nfs/dbraw/zinc/24/47/90/1076244790.db2.gz CTUOKBLOGYFGHE-LIRRHRJNSA-N 1 2 410.474 1.901 20 0 HDADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000533827477 1076244797 /nfs/dbraw/zinc/24/47/97/1076244797.db2.gz CTUOKBLOGYFGHE-LIRRHRJNSA-N 1 2 410.474 1.901 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)CC1 ZINC001299318842 1076247738 /nfs/dbraw/zinc/24/77/38/1076247738.db2.gz LOJALWJVWKCRAJ-UHFFFAOYSA-N 1 2 418.494 1.513 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535265519 1076250563 /nfs/dbraw/zinc/25/05/63/1076250563.db2.gz JHVZESUBVZRIGU-SFHVURJKSA-N 1 2 409.533 1.402 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535265519 1076250564 /nfs/dbraw/zinc/25/05/64/1076250564.db2.gz JHVZESUBVZRIGU-SFHVURJKSA-N 1 2 409.533 1.402 20 0 HDADLO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535277453 1076251921 /nfs/dbraw/zinc/25/19/21/1076251921.db2.gz NMAQEFVVQZYYMW-QGZVFWFLSA-N 1 2 400.866 1.941 20 0 HDADLO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535277453 1076251926 /nfs/dbraw/zinc/25/19/26/1076251926.db2.gz NMAQEFVVQZYYMW-QGZVFWFLSA-N 1 2 400.866 1.941 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000536023099 1076253746 /nfs/dbraw/zinc/25/37/46/1076253746.db2.gz MKLDROPMQFTFAE-HXUWFJFHSA-N 1 2 415.515 1.624 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000536023099 1076253753 /nfs/dbraw/zinc/25/37/53/1076253753.db2.gz MKLDROPMQFTFAE-HXUWFJFHSA-N 1 2 415.515 1.624 20 0 HDADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000536037662 1076254636 /nfs/dbraw/zinc/25/46/36/1076254636.db2.gz VGHVQDOQJKOQGC-GOSISDBHSA-N 1 2 405.462 1.601 20 0 HDADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000536037662 1076254637 /nfs/dbraw/zinc/25/46/37/1076254637.db2.gz VGHVQDOQJKOQGC-GOSISDBHSA-N 1 2 405.462 1.601 20 0 HDADLO CCCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065712062 1076257636 /nfs/dbraw/zinc/25/76/36/1076257636.db2.gz UICYBRLDLAUFBJ-ROMHJBHXSA-N 1 2 403.567 1.981 20 0 HDADLO CCCCCC[C@H](C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000727850148 1076271110 /nfs/dbraw/zinc/27/11/10/1076271110.db2.gz UGIZXLYGJCHUHQ-SFHVURJKSA-N 1 2 402.605 1.619 20 0 HDADLO CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000727941143 1076292129 /nfs/dbraw/zinc/29/21/29/1076292129.db2.gz MHVSVMHUCDLIIH-INIZCTEOSA-N 1 2 406.531 1.851 20 0 HDADLO Cc1nnnn1-c1cc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000727946719 1076292890 /nfs/dbraw/zinc/29/28/90/1076292890.db2.gz DJPZPEGHPVHDJF-UHFFFAOYSA-N 1 2 420.408 1.550 20 0 HDADLO CCOc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@H]3C2)n1 ZINC001083147459 1076303967 /nfs/dbraw/zinc/30/39/67/1076303967.db2.gz LWEADXVDGTYFDM-VZLDODMLSA-N 1 2 401.507 1.707 20 0 HDADLO CCOc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@H]3C2)n1 ZINC001083147459 1076303974 /nfs/dbraw/zinc/30/39/74/1076303974.db2.gz LWEADXVDGTYFDM-VZLDODMLSA-N 1 2 401.507 1.707 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)/C=C/c3cccnc3)cc2)CC1 ZINC000728030954 1076311949 /nfs/dbraw/zinc/31/19/49/1076311949.db2.gz WTXLUOQNKSHEGK-RMKNXTFCSA-N 1 2 422.529 1.997 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000728128222 1076338734 /nfs/dbraw/zinc/33/87/34/1076338734.db2.gz QRKXQUGHSNINLW-UHFFFAOYSA-N 1 2 407.478 1.698 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000027815955 1076360711 /nfs/dbraw/zinc/36/07/11/1076360711.db2.gz XXJZUNWSZIEWFX-CYBMUJFWSA-N 1 2 400.508 1.226 20 0 HDADLO C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=S)NCCC[NH+]1CCOCC1 ZINC000728177749 1076365730 /nfs/dbraw/zinc/36/57/30/1076365730.db2.gz JUSNBPAGQROBJS-FQEVSTJZSA-N 1 2 420.623 1.806 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@@](C)(c4cccc(Cl)c4)C3=O)CC2)cn1 ZINC000729988213 1076408768 /nfs/dbraw/zinc/40/87/68/1076408768.db2.gz DVUPJDCWMUPKJK-FQEVSTJZSA-N 1 2 416.913 1.616 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@](C)(c4ccccc4F)C3=O)CC2)cn1 ZINC000729989108 1076409377 /nfs/dbraw/zinc/40/93/77/1076409377.db2.gz QTTPRYUAMIVGHC-HXUWFJFHSA-N 1 2 400.458 1.102 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@@](C)(c4ccccc4F)C3=O)CC2)cn1 ZINC000729989106 1076409383 /nfs/dbraw/zinc/40/93/83/1076409383.db2.gz QTTPRYUAMIVGHC-FQEVSTJZSA-N 1 2 400.458 1.102 20 0 HDADLO CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2[nH]c1=S ZINC000730086003 1076440389 /nfs/dbraw/zinc/44/03/89/1076440389.db2.gz MQLKTIUAAMJVPG-IAGOWNOFSA-N 1 2 402.520 1.376 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000730261848 1076502109 /nfs/dbraw/zinc/50/21/09/1076502109.db2.gz GHFYSQVVXDPGIF-HNNXBMFYSA-N 1 2 408.474 1.633 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000730261848 1076502119 /nfs/dbraw/zinc/50/21/19/1076502119.db2.gz GHFYSQVVXDPGIF-HNNXBMFYSA-N 1 2 408.474 1.633 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000730261849 1076502226 /nfs/dbraw/zinc/50/22/26/1076502226.db2.gz GHFYSQVVXDPGIF-OAHLLOKOSA-N 1 2 408.474 1.633 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000730261849 1076502234 /nfs/dbraw/zinc/50/22/34/1076502234.db2.gz GHFYSQVVXDPGIF-OAHLLOKOSA-N 1 2 408.474 1.633 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000730261812 1076502766 /nfs/dbraw/zinc/50/27/66/1076502766.db2.gz FLAXOTQDOSMCTL-GOSISDBHSA-N 1 2 416.522 1.794 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000730261812 1076502778 /nfs/dbraw/zinc/50/27/78/1076502778.db2.gz FLAXOTQDOSMCTL-GOSISDBHSA-N 1 2 416.522 1.794 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000730272727 1076516336 /nfs/dbraw/zinc/51/63/36/1076516336.db2.gz PYAXCJOKPBBKLA-SFHVURJKSA-N 1 2 423.517 1.438 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000730272727 1076516342 /nfs/dbraw/zinc/51/63/42/1076516342.db2.gz PYAXCJOKPBBKLA-SFHVURJKSA-N 1 2 423.517 1.438 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000730272724 1076516404 /nfs/dbraw/zinc/51/64/04/1076516404.db2.gz PYAXCJOKPBBKLA-GOSISDBHSA-N 1 2 423.517 1.438 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000730272724 1076516405 /nfs/dbraw/zinc/51/64/05/1076516405.db2.gz PYAXCJOKPBBKLA-GOSISDBHSA-N 1 2 423.517 1.438 20 0 HDADLO COc1ccc([C@H](CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[NH+]2CCCCC2)cc1 ZINC000730515943 1076584284 /nfs/dbraw/zinc/58/42/84/1076584284.db2.gz SCZJYBADBHXUQY-SFHVURJKSA-N 1 2 410.478 1.423 20 0 HDADLO CC[NH+](CC)CCOc1cc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)ccc1OC ZINC000730541556 1076587187 /nfs/dbraw/zinc/58/71/87/1076587187.db2.gz MVXGXMKPNBYQHN-UHFFFAOYSA-N 1 2 414.466 1.439 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(OC(C)C)CC3)C2=O)c1 ZINC000730571665 1076607001 /nfs/dbraw/zinc/60/70/01/1076607001.db2.gz ZDGCCBZCUMJVKO-OAQYLSRUSA-N 1 2 418.494 1.383 20 0 HDADLO CCn1cc(N2C(=O)C[C@@H]([NH+]3CCC(N(C)C(=O)OC(C)(C)C)CC3)C2=O)cn1 ZINC000730575109 1076607606 /nfs/dbraw/zinc/60/76/06/1076607606.db2.gz JAZJLBFOGBYYJJ-MRXNPFEDSA-N 1 2 405.499 1.866 20 0 HDADLO C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730671667 1076634936 /nfs/dbraw/zinc/63/49/36/1076634936.db2.gz MAHBJHCAKRQFEM-CVEARBPZSA-N 1 2 408.518 1.868 20 0 HDADLO C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730671667 1076634946 /nfs/dbraw/zinc/63/49/46/1076634946.db2.gz MAHBJHCAKRQFEM-CVEARBPZSA-N 1 2 408.518 1.868 20 0 HDADLO CN(CCS(C)(=O)=O)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000730672614 1076635517 /nfs/dbraw/zinc/63/55/17/1076635517.db2.gz IPHCWVNMDSQUHN-UHFFFAOYSA-N 1 2 416.975 1.538 20 0 HDADLO CCOCC[N@H+](CC)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O ZINC000730801647 1076654280 /nfs/dbraw/zinc/65/42/80/1076654280.db2.gz FEXUJVXZCKNMTI-FQEVSTJZSA-N 1 2 404.467 1.726 20 0 HDADLO CCOCC[N@@H+](CC)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O ZINC000730801647 1076654282 /nfs/dbraw/zinc/65/42/82/1076654282.db2.gz FEXUJVXZCKNMTI-FQEVSTJZSA-N 1 2 404.467 1.726 20 0 HDADLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000730808608 1076665254 /nfs/dbraw/zinc/66/52/54/1076665254.db2.gz PBMPLHPRNOUHIN-IBGZPJMESA-N 1 2 422.595 1.374 20 0 HDADLO O=C(C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)NC1CCC2(CC1)OCCO2 ZINC000730808252 1076665286 /nfs/dbraw/zinc/66/52/86/1076665286.db2.gz GDJYOMGJGXUWJZ-UHFFFAOYSA-N 1 2 407.555 1.903 20 0 HDADLO O=C(C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)NC1CCC2(CC1)OCCO2 ZINC000730808252 1076665291 /nfs/dbraw/zinc/66/52/91/1076665291.db2.gz GDJYOMGJGXUWJZ-UHFFFAOYSA-N 1 2 407.555 1.903 20 0 HDADLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000730817574 1076669583 /nfs/dbraw/zinc/66/95/83/1076669583.db2.gz VJDILQYSAGMSMD-ZFWWWQNUSA-N 1 2 403.483 1.734 20 0 HDADLO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC001308119259 1126164401 /nfs/dbraw/zinc/16/44/01/1126164401.db2.gz ZASLKHOOSACDKD-CQSZACIVSA-N 1 2 420.354 1.787 20 0 HDADLO Cc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c(O)c1 ZINC000436797248 559262145 /nfs/dbraw/zinc/26/21/45/559262145.db2.gz ZMXSTBOEKWIZGU-INIZCTEOSA-N 1 2 411.506 1.277 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@@H](F)Oc3ccc(Cl)nc3)CC2)C1=O ZINC001164638180 719274240 /nfs/dbraw/zinc/27/42/40/719274240.db2.gz DLPFCRZXOJBROU-QGZVFWFLSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@@H](F)Oc3ccc(Cl)nc3)CC2)C1=O ZINC001164638180 719274243 /nfs/dbraw/zinc/27/42/43/719274243.db2.gz DLPFCRZXOJBROU-QGZVFWFLSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nnc(Cl)c4cccnc43)CC2)C1=O ZINC001164640005 719275280 /nfs/dbraw/zinc/27/52/80/719275280.db2.gz MMUFVKZLPSEOTP-UHFFFAOYSA-N 1 2 404.902 1.438 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nnc(Cl)c4cccnc43)CC2)C1=O ZINC001164640005 719275286 /nfs/dbraw/zinc/27/52/86/719275286.db2.gz MMUFVKZLPSEOTP-UHFFFAOYSA-N 1 2 404.902 1.438 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(NCC2CC2)n1 ZINC001164703305 719837278 /nfs/dbraw/zinc/83/72/78/719837278.db2.gz QAKGFFHARQIAGR-UWJYYQICSA-N 1 2 403.527 1.840 20 0 HDADLO COC(=O)c1cnc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164696914 719839235 /nfs/dbraw/zinc/83/92/35/719839235.db2.gz BFASIEKAHKHYBK-ORAYPTAESA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164698689 719840057 /nfs/dbraw/zinc/84/00/57/719840057.db2.gz HAWRKNNCPUDPTF-SGTLLEGYSA-N 1 2 412.874 1.149 20 0 HDADLO COC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncc1Cl ZINC001164701610 719841881 /nfs/dbraw/zinc/84/18/81/719841881.db2.gz MNIRYAVPMXASIJ-BFUOFWGJSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1cc(F)c(C)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703142 719854507 /nfs/dbraw/zinc/85/45/07/719854507.db2.gz PCJRSCXXXIFIPW-VBKZILBWSA-N 1 2 409.458 1.548 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2ccc(OC)cc2n1 ZINC001164699464 719855009 /nfs/dbraw/zinc/85/50/09/719855009.db2.gz FLWOPLDGJQLIMW-QVKFZJNVSA-N 1 2 400.479 1.871 20 0 HDADLO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncc1C ZINC001164697760 719857056 /nfs/dbraw/zinc/85/70/56/719857056.db2.gz AGIMZERZJANTIM-IERDGZPVSA-N 1 2 405.495 1.799 20 0 HDADLO CCOC(=O)c1ncnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1C ZINC001164706003 719857829 /nfs/dbraw/zinc/85/78/29/719857829.db2.gz VXXIPZBNVHNPRX-QRWLVFNGSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)nc(N(C)C)n1 ZINC001164702478 719859468 /nfs/dbraw/zinc/85/94/68/719859468.db2.gz NKLCIMRACPYQGU-FOIQADDNSA-N 1 2 406.531 1.294 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)N2CCCC2)ccn1 ZINC001164698807 719862173 /nfs/dbraw/zinc/86/21/73/719862173.db2.gz DTTFXWGKOOTGBZ-AVRDEDQJSA-N 1 2 416.522 1.550 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cccnc2F)n1 ZINC001164706801 719862262 /nfs/dbraw/zinc/86/22/62/719862262.db2.gz YYHMQETVZTWLQV-VFNWGFHPSA-N 1 2 415.469 1.910 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(CO)c1C(OC)OC ZINC001164706485 719863318 /nfs/dbraw/zinc/86/33/18/719863318.db2.gz XWQSTPSPGNXQNC-HRAATJIYSA-N 1 2 423.510 1.098 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCCC2)ncn1 ZINC001164702851 719867453 /nfs/dbraw/zinc/86/74/53/719867453.db2.gz JBUPSBQTCQONHL-DYESRHJHSA-N 1 2 403.527 1.700 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc(-c3ccco3)cn1)CC2 ZINC001164709225 719904331 /nfs/dbraw/zinc/90/43/31/719904331.db2.gz QYDNEBONBXMUOG-UHFFFAOYSA-N 1 2 407.478 1.420 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164708055 719928190 /nfs/dbraw/zinc/92/81/90/719928190.db2.gz AYZQKCZNUOYQME-UHFFFAOYSA-N 1 2 418.505 1.222 20 0 HDADLO CSCc1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1 ZINC001164708956 719930199 /nfs/dbraw/zinc/93/01/99/719930199.db2.gz VPZUDHXRJHHFEM-UHFFFAOYSA-N 1 2 400.552 1.628 20 0 HDADLO CCc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)nc1C ZINC001164717891 720049659 /nfs/dbraw/zinc/04/96/59/720049659.db2.gz ZDIPPCODYLQKDU-UHFFFAOYSA-N 1 2 417.945 1.685 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)nc3)C2)C1 ZINC001164717223 720225353 /nfs/dbraw/zinc/22/53/53/720225353.db2.gz GVECIDYPOLYLMX-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)nc3)C2)C1 ZINC001164717223 720225360 /nfs/dbraw/zinc/22/53/60/720225360.db2.gz GVECIDYPOLYLMX-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnnc(Cl)c3)C2)C1 ZINC001164720471 720251483 /nfs/dbraw/zinc/25/14/83/720251483.db2.gz WQTQLFPGUBEMDH-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnnc(Cl)c3)C2)C1 ZINC001164720471 720251503 /nfs/dbraw/zinc/25/15/03/720251503.db2.gz WQTQLFPGUBEMDH-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(=O)OC)ccc3Cl)C2)C1 ZINC001164720457 720257711 /nfs/dbraw/zinc/25/77/11/720257711.db2.gz WJXLDRBBGVNEGE-LJQANCHMSA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(=O)OC)ccc3Cl)C2)C1 ZINC001164720457 720257723 /nfs/dbraw/zinc/25/77/23/720257723.db2.gz WJXLDRBBGVNEGE-LJQANCHMSA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(N)cc(Cl)n3)C2)C1 ZINC001164720131 720260682 /nfs/dbraw/zinc/26/06/82/720260682.db2.gz RRHMNNANJFROCY-QGZVFWFLSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(N)cc(Cl)n3)C2)C1 ZINC001164720131 720260686 /nfs/dbraw/zinc/26/06/86/720260686.db2.gz RRHMNNANJFROCY-QGZVFWFLSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4cccnc4F)n3)C2)C1 ZINC001164723873 720270694 /nfs/dbraw/zinc/27/06/94/720270694.db2.gz YOVWSPHZRGDBLY-OAQYLSRUSA-N 1 2 414.485 1.343 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4cccnc4F)n3)C2)C1 ZINC001164723873 720270710 /nfs/dbraw/zinc/27/07/10/720270710.db2.gz YOVWSPHZRGDBLY-OAQYLSRUSA-N 1 2 414.485 1.343 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164723241 720271567 /nfs/dbraw/zinc/27/15/67/720271567.db2.gz VJAWJROPJWBKOJ-OAQYLSRUSA-N 1 2 404.511 1.232 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164723241 720271571 /nfs/dbraw/zinc/27/15/71/720271571.db2.gz VJAWJROPJWBKOJ-OAQYLSRUSA-N 1 2 404.511 1.232 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccnc3Oc3ccccc3)C2)C1 ZINC001164722258 720298934 /nfs/dbraw/zinc/29/89/34/720298934.db2.gz OZKKVECIJZASPH-QFIPXVFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccnc3Oc3ccccc3)C2)C1 ZINC001164722258 720298940 /nfs/dbraw/zinc/29/89/40/720298940.db2.gz OZKKVECIJZASPH-QFIPXVFZSA-N 1 2 411.506 1.934 20 0 HDADLO COc1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824845 720358198 /nfs/dbraw/zinc/35/81/98/720358198.db2.gz ONLVCGUOPJJNQH-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO COc1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824845 720358208 /nfs/dbraw/zinc/35/82/08/720358208.db2.gz ONLVCGUOPJJNQH-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO COCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164824436 720384755 /nfs/dbraw/zinc/38/47/55/720384755.db2.gz RUMKZZHMZLTPNT-UHFFFAOYSA-N 1 2 416.551 1.701 20 0 HDADLO COCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164824436 720384763 /nfs/dbraw/zinc/38/47/63/720384763.db2.gz RUMKZZHMZLTPNT-UHFFFAOYSA-N 1 2 416.551 1.701 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ccsc31)C2 ZINC001164828540 720430178 /nfs/dbraw/zinc/43/01/78/720430178.db2.gz XBAGPZYMMYWLKR-HNNXBMFYSA-N 1 2 414.535 1.877 20 0 HDADLO CC(C)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164825093 720446243 /nfs/dbraw/zinc/44/62/43/720446243.db2.gz PYTYITACKYFJSJ-QGZVFWFLSA-N 1 2 400.527 1.786 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1CCCC3)C2 ZINC001164823396 720446429 /nfs/dbraw/zinc/44/64/29/720446429.db2.gz IZFLJWDZZLTHBR-QGZVFWFLSA-N 1 2 412.538 1.542 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(C(C)(C)C)n1)C2 ZINC001164821927 720447131 /nfs/dbraw/zinc/44/71/31/720447131.db2.gz ATJLSFRGNGSSGF-QGZVFWFLSA-N 1 2 414.554 1.960 20 0 HDADLO CC(=O)Nc1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825190 720451114 /nfs/dbraw/zinc/45/11/14/720451114.db2.gz QLSXNNAWLHKNAD-KRWDZBQOSA-N 1 2 414.510 1.226 20 0 HDADLO COc1ccc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164830068 720457682 /nfs/dbraw/zinc/45/76/82/720457682.db2.gz IWMHMZNXPIWIBD-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(C(F)F)n1)C2 ZINC001164831185 720467121 /nfs/dbraw/zinc/46/71/21/720467121.db2.gz NHISCZHGROMRHW-AWEZNQCLSA-N 1 2 408.453 1.600 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc(S(C)(=O)=O)n4)C[C@@H]3C2)cn1 ZINC001164771555 721071228 /nfs/dbraw/zinc/07/12/28/721071228.db2.gz SATOQEVSVCDUMK-KBPBESRZSA-N 1 2 410.931 1.225 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)nc(S(C)(=O)=O)n4)C[C@@H]3C2)cn1 ZINC001164771555 721071232 /nfs/dbraw/zinc/07/12/32/721071232.db2.gz SATOQEVSVCDUMK-KBPBESRZSA-N 1 2 410.931 1.225 20 0 HDADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781472 721423836 /nfs/dbraw/zinc/42/38/36/721423836.db2.gz DQJGTNXESHSDSB-UFEGIJMPSA-N 1 2 421.548 1.415 20 0 HDADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781472 721423838 /nfs/dbraw/zinc/42/38/38/721423838.db2.gz DQJGTNXESHSDSB-UFEGIJMPSA-N 1 2 421.548 1.415 20 0 HDADLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164912925 721775874 /nfs/dbraw/zinc/77/58/74/721775874.db2.gz RZNMSRJMPDOZJO-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164912925 721775879 /nfs/dbraw/zinc/77/58/79/721775879.db2.gz RZNMSRJMPDOZJO-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)COC2 ZINC001164912468 721776161 /nfs/dbraw/zinc/77/61/61/721776161.db2.gz MGFPBFMJJFRLLE-FQEVSTJZSA-N 1 2 417.897 1.663 20 0 HDADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)COC2 ZINC001164912468 721776162 /nfs/dbraw/zinc/77/61/62/721776162.db2.gz MGFPBFMJJFRLLE-FQEVSTJZSA-N 1 2 417.897 1.663 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cc(OCC5CC5)ncn4)CCO3)C2)c1 ZINC001164916002 721786536 /nfs/dbraw/zinc/78/65/36/721786536.db2.gz NGUOGGOXDNHLBJ-JOCHJYFZSA-N 1 2 411.506 1.768 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cc(OCC5CC5)ncn4)CCO3)C2)c1 ZINC001164916002 721786537 /nfs/dbraw/zinc/78/65/37/721786537.db2.gz NGUOGGOXDNHLBJ-JOCHJYFZSA-N 1 2 411.506 1.768 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC001164919830 721820802 /nfs/dbraw/zinc/82/08/02/721820802.db2.gz WYRRQAWJIWYFAP-UHFFFAOYSA-N 1 2 410.931 1.328 20 0 HDADLO CCOC(=O)c1c(C)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947720 721974348 /nfs/dbraw/zinc/97/43/48/721974348.db2.gz RHZXFQQTKLNNHB-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO CCOC(=O)c1c(C)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947720 721974349 /nfs/dbraw/zinc/97/43/49/721974349.db2.gz RHZXFQQTKLNNHB-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO NC(=O)c1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947729 721975695 /nfs/dbraw/zinc/97/56/95/721975695.db2.gz RPUZIZUORVTHMJ-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO NC(=O)c1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947729 721975697 /nfs/dbraw/zinc/97/56/97/721975697.db2.gz RPUZIZUORVTHMJ-UHFFFAOYSA-N 1 2 414.897 1.200 20 0 HDADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429042771 1073456226 /nfs/dbraw/zinc/45/62/26/1073456226.db2.gz RHCZNTATHVGFNU-RBUKOAKNSA-N 1 2 409.552 1.496 20 0 HDADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429042771 1073456230 /nfs/dbraw/zinc/45/62/30/1073456230.db2.gz RHCZNTATHVGFNU-RBUKOAKNSA-N 1 2 409.552 1.496 20 0 HDADLO CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429040548 1073458957 /nfs/dbraw/zinc/45/89/57/1073458957.db2.gz INVXKQJNIUYWHM-RTBURBONSA-N 1 2 409.552 1.496 20 0 HDADLO CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429040548 1073458999 /nfs/dbraw/zinc/45/89/99/1073458999.db2.gz INVXKQJNIUYWHM-RTBURBONSA-N 1 2 409.552 1.496 20 0 HDADLO CN1Cc2c(cccc2NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC001299281113 1073459151 /nfs/dbraw/zinc/45/91/51/1073459151.db2.gz KAAFDNBIKQIUAO-UHFFFAOYSA-N 1 2 407.474 1.735 20 0 HDADLO COc1nn(C)c2nc(C)c(CCC(=O)NCC(C)(C)[NH+]3CCOCC3)c(C)c12 ZINC000509109057 1073543710 /nfs/dbraw/zinc/54/37/10/1073543710.db2.gz CRZHWYJCQAFBEL-UHFFFAOYSA-N 1 2 403.527 1.753 20 0 HDADLO COCCOc1ccc(CC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000429093858 1073559471 /nfs/dbraw/zinc/55/94/71/1073559471.db2.gz OPQYAHNGIPLWJL-UHFFFAOYSA-N 1 2 412.490 1.676 20 0 HDADLO CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766015724 1073574517 /nfs/dbraw/zinc/57/45/17/1073574517.db2.gz AUKNGZFBXARVFN-LJQANCHMSA-N 1 2 411.568 1.108 20 0 HDADLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000028178167 1073603923 /nfs/dbraw/zinc/60/39/23/1073603923.db2.gz QIQKAVJBFZGHSO-KRWDZBQOSA-N 1 2 407.522 1.841 20 0 HDADLO O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673659011 1073611194 /nfs/dbraw/zinc/61/11/94/1073611194.db2.gz GJSQUGVADJYWIO-QFBILLFUSA-N 1 2 422.489 1.596 20 0 HDADLO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000673668222 1073621069 /nfs/dbraw/zinc/62/10/69/1073621069.db2.gz INAQORQVQCHUEE-GOSISDBHSA-N 1 2 408.502 1.626 20 0 HDADLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000673710407 1073649956 /nfs/dbraw/zinc/64/99/56/1073649956.db2.gz ZPTDOVUPNAOYJC-FKBYEOEOSA-N 1 2 416.566 1.873 20 0 HDADLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000673710409 1073650008 /nfs/dbraw/zinc/65/00/08/1073650008.db2.gz ZPTDOVUPNAOYJC-VSKRKVRLSA-N 1 2 416.566 1.873 20 0 HDADLO O=C(CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1)Nc1ccc(Br)cc1 ZINC000673715402 1073654258 /nfs/dbraw/zinc/65/42/58/1073654258.db2.gz KSYINTDOZPUYBZ-MRXNPFEDSA-N 1 2 409.328 1.674 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C3CCN(c4ccc5nncn5n4)CC3)[nH+]c12 ZINC000673724592 1073656445 /nfs/dbraw/zinc/65/64/45/1073656445.db2.gz IJCYANVZIVFZRQ-UHFFFAOYSA-N 1 2 404.478 1.656 20 0 HDADLO COc1ccccc1[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1nccn1C ZINC000766026516 1073671927 /nfs/dbraw/zinc/67/19/27/1073671927.db2.gz GPRMNTKMIAZEEW-SFHVURJKSA-N 1 2 408.524 1.160 20 0 HDADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673747181 1073681523 /nfs/dbraw/zinc/68/15/23/1073681523.db2.gz PUNJOYUIAUDCHV-HNNXBMFYSA-N 1 2 416.503 1.677 20 0 HDADLO COC(=O)c1ccc(=O)n(C[N@H+](CCCOc2ccccc2)C2CCOCC2)n1 ZINC000766026834 1073683052 /nfs/dbraw/zinc/68/30/52/1073683052.db2.gz AGRHZICRIGTOMT-UHFFFAOYSA-N 1 2 401.463 1.938 20 0 HDADLO COC(=O)c1ccc(=O)n(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)n1 ZINC000766026834 1073683059 /nfs/dbraw/zinc/68/30/59/1073683059.db2.gz AGRHZICRIGTOMT-UHFFFAOYSA-N 1 2 401.463 1.938 20 0 HDADLO C[C@H](NC(=O)C1CCCC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000509133391 1073687739 /nfs/dbraw/zinc/68/77/39/1073687739.db2.gz YKTMPFWPZHSKHR-INIZCTEOSA-N 1 2 400.523 1.901 20 0 HDADLO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781664 1073715751 /nfs/dbraw/zinc/71/57/51/1073715751.db2.gz DKAFTGNYDLCHGR-MOPGFXCFSA-N 1 2 403.479 1.116 20 0 HDADLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673782144 1073719990 /nfs/dbraw/zinc/71/99/90/1073719990.db2.gz AEQVFPQSACNWQA-APWZRJJASA-N 1 2 416.522 1.477 20 0 HDADLO O=C(Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785549 1073726774 /nfs/dbraw/zinc/72/67/74/1073726774.db2.gz SSJJWBKWKUSMSC-SFHVURJKSA-N 1 2 400.479 1.075 20 0 HDADLO Cc1ccnc(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)c2)n1 ZINC000673785611 1073727629 /nfs/dbraw/zinc/72/76/29/1073727629.db2.gz VFDLVYTXFOMPRE-LJQANCHMSA-N 1 2 409.490 1.714 20 0 HDADLO CC(=O)Nc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000673785208 1073729486 /nfs/dbraw/zinc/72/94/86/1073729486.db2.gz YOLFGYNDJQIBBP-OAHLLOKOSA-N 1 2 408.886 1.560 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2CCC(N)=O)CC1 ZINC000028947788 1073731720 /nfs/dbraw/zinc/73/17/20/1073731720.db2.gz KYPUXOSHIUNKRY-CYBMUJFWSA-N 1 2 422.580 1.527 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCC(CNC(=O)c4cnn(C)c4)CC3)[nH+]c12 ZINC000673779547 1073734935 /nfs/dbraw/zinc/73/49/35/1073734935.db2.gz LUKQSIDPQIGVNV-UHFFFAOYSA-N 1 2 423.521 1.770 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(-n4cnnn4)c3C)[nH+]c12 ZINC000673787327 1073740116 /nfs/dbraw/zinc/74/01/16/1073740116.db2.gz PHOCBLZWHUJZHS-UHFFFAOYSA-N 1 2 404.434 1.224 20 0 HDADLO COc1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1NC(C)=O ZINC000673788482 1073741723 /nfs/dbraw/zinc/74/17/23/1073741723.db2.gz KNHQTBGPWBQFLC-UHFFFAOYSA-N 1 2 409.446 1.907 20 0 HDADLO O=C(NCCC1CCS(=O)(=O)CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000509150085 1073747802 /nfs/dbraw/zinc/74/78/02/1073747802.db2.gz FMKCUBMSHZMGPD-UHFFFAOYSA-N 1 2 409.552 1.608 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429141737 1073769461 /nfs/dbraw/zinc/76/94/61/1073769461.db2.gz LWJFQRXWORNYCF-UHFFFAOYSA-N 1 2 404.511 1.734 20 0 HDADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)s1 ZINC000673825212 1073770652 /nfs/dbraw/zinc/77/06/52/1073770652.db2.gz LCXWOSPZHQKFFE-CYBMUJFWSA-N 1 2 401.554 1.431 20 0 HDADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000057274109 1073806821 /nfs/dbraw/zinc/80/68/21/1073806821.db2.gz JMJTWLASWZMBHN-UHFFFAOYSA-N 1 2 406.508 1.544 20 0 HDADLO COc1cccc2c1OCC[C@@H]2NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872690 1073837233 /nfs/dbraw/zinc/83/72/33/1073837233.db2.gz VJZZIARPKCLGPA-KRWDZBQOSA-N 1 2 401.467 1.869 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 ZINC000673881087 1073853421 /nfs/dbraw/zinc/85/34/21/1073853421.db2.gz XHZJBTFCFDMOPU-MOPGFXCFSA-N 1 2 411.506 1.783 20 0 HDADLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C(=O)NC2CC2)c1)c1nnnn1-c1ccccc1 ZINC000543501368 1073859251 /nfs/dbraw/zinc/85/92/51/1073859251.db2.gz MSUGJQUMTVRVAQ-OAHLLOKOSA-N 1 2 419.489 1.522 20 0 HDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429158219 1073868427 /nfs/dbraw/zinc/86/84/27/1073868427.db2.gz XDRRGKQNEDTDCU-GJZGRUSLSA-N 1 2 415.515 1.895 20 0 HDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429158219 1073868434 /nfs/dbraw/zinc/86/84/34/1073868434.db2.gz XDRRGKQNEDTDCU-GJZGRUSLSA-N 1 2 415.515 1.895 20 0 HDADLO CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)n1 ZINC000673915459 1073885950 /nfs/dbraw/zinc/88/59/50/1073885950.db2.gz JGCFDJADJLZJSV-CQSZACIVSA-N 1 2 416.482 1.829 20 0 HDADLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000543504399 1073890010 /nfs/dbraw/zinc/89/00/10/1073890010.db2.gz CAJJBJUAZCQUSZ-CHWSQXEVSA-N 1 2 410.565 1.751 20 0 HDADLO CC(=O)N1CCC([N@H+](CC(=O)NC(=O)NCc2ccco2)Cc2cncs2)CC1 ZINC000429164732 1073902352 /nfs/dbraw/zinc/90/23/52/1073902352.db2.gz PTUCNRZXMYICBB-UHFFFAOYSA-N 1 2 419.507 1.575 20 0 HDADLO CC(=O)N1CCC([N@@H+](CC(=O)NC(=O)NCc2ccco2)Cc2cncs2)CC1 ZINC000429164732 1073902356 /nfs/dbraw/zinc/90/23/56/1073902356.db2.gz PTUCNRZXMYICBB-UHFFFAOYSA-N 1 2 419.507 1.575 20 0 HDADLO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000466563871 1073933056 /nfs/dbraw/zinc/93/30/56/1073933056.db2.gz CWXSCQKFHSUHOC-AQNXPRMDSA-N 1 2 402.539 1.663 20 0 HDADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)n1 ZINC000509177202 1073937318 /nfs/dbraw/zinc/93/73/18/1073937318.db2.gz GIIGIYJAQFZIFQ-MRXNPFEDSA-N 1 2 405.499 1.188 20 0 HDADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)n1 ZINC000509177202 1073937323 /nfs/dbraw/zinc/93/73/23/1073937323.db2.gz GIIGIYJAQFZIFQ-MRXNPFEDSA-N 1 2 405.499 1.188 20 0 HDADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000429176365 1073951509 /nfs/dbraw/zinc/95/15/09/1073951509.db2.gz WWPXFIFSJLFBNT-MSOLQXFVSA-N 1 2 420.539 1.243 20 0 HDADLO Cn1cc(C(=O)Nc2cccc(OS(=O)(=O)CCC[NH+]3CCOCC3)c2)cn1 ZINC000766043896 1073951527 /nfs/dbraw/zinc/95/15/27/1073951527.db2.gz WJXSERJPKKCDRS-UHFFFAOYSA-N 1 2 408.480 1.103 20 0 HDADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000484379240 1073962851 /nfs/dbraw/zinc/96/28/51/1073962851.db2.gz BTEABBXECCDYQJ-UHFFFAOYSA-N 1 2 409.836 1.924 20 0 HDADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000484379240 1073962857 /nfs/dbraw/zinc/96/28/57/1073962857.db2.gz BTEABBXECCDYQJ-UHFFFAOYSA-N 1 2 409.836 1.924 20 0 HDADLO O=C(Nc1ccccc1)Nc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000543528544 1074018567 /nfs/dbraw/zinc/01/85/67/1074018567.db2.gz LEDCXFCBWNSHET-UHFFFAOYSA-N 1 2 411.462 1.406 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)c1C ZINC000543530767 1074023668 /nfs/dbraw/zinc/02/36/68/1074023668.db2.gz RUPMZYGUHFLZPU-UHFFFAOYSA-N 1 2 400.435 1.168 20 0 HDADLO O=C(CCNC(=O)C1([C@H]2CCCCO2)CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001626092700 1074030807 /nfs/dbraw/zinc/03/08/07/1074030807.db2.gz AWWAFLHRXBNKEO-GOSISDBHSA-N 1 2 400.523 1.976 20 0 HDADLO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(=O)[nH]1 ZINC000543534295 1074033672 /nfs/dbraw/zinc/03/36/72/1074033672.db2.gz UIMNOHGJDXUUSZ-UHFFFAOYSA-N 1 2 411.462 1.253 20 0 HDADLO COC(=O)Cc1sccc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001626092814 1074042220 /nfs/dbraw/zinc/04/22/20/1074042220.db2.gz DARUOLGZMIJEQT-UHFFFAOYSA-N 1 2 416.503 1.327 20 0 HDADLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N3CCN(C(C)=O)CC3)n2)c1 ZINC000543544486 1074056452 /nfs/dbraw/zinc/05/64/52/1074056452.db2.gz PZYUXNYXNKAOQP-ZIAGYGMSSA-N 1 2 401.467 1.475 20 0 HDADLO O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000466601799 1074065774 /nfs/dbraw/zinc/06/57/74/1074065774.db2.gz OSJGEGUIKHKVOV-MXEMCNAFSA-N 1 2 412.534 1.650 20 0 HDADLO O=C(CCNC(=O)c1cc(C(F)(F)F)ncn1)N1CCN(c2cccc[nH+]2)CC1 ZINC001626093108 1074071536 /nfs/dbraw/zinc/07/15/36/1074071536.db2.gz HYVXPJOCMXCUIV-UHFFFAOYSA-N 1 2 408.384 1.359 20 0 HDADLO Cn1nc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC001626093089 1074071692 /nfs/dbraw/zinc/07/16/92/1074071692.db2.gz HDJNPSCBLROXNL-UHFFFAOYSA-N 1 2 421.299 1.046 20 0 HDADLO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1 ZINC000543554052 1074076761 /nfs/dbraw/zinc/07/67/61/1074076761.db2.gz XVELFYZJHIDBHK-CYBMUJFWSA-N 1 2 403.508 1.374 20 0 HDADLO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1 ZINC000543554052 1074076768 /nfs/dbraw/zinc/07/67/68/1074076768.db2.gz XVELFYZJHIDBHK-CYBMUJFWSA-N 1 2 403.508 1.374 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C ZINC000674024230 1074084579 /nfs/dbraw/zinc/08/45/79/1074084579.db2.gz OGPXMHXDPDSVSR-KRWDZBQOSA-N 1 2 402.582 1.823 20 0 HDADLO CC(C)(CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)S(C)(=O)=O ZINC000674042469 1074119690 /nfs/dbraw/zinc/11/96/90/1074119690.db2.gz VAZJXOKQBWHQFR-UHFFFAOYSA-N 1 2 418.519 1.764 20 0 HDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 ZINC000509213795 1074146050 /nfs/dbraw/zinc/14/60/50/1074146050.db2.gz WRZYKEWBJQILOO-SJLPKXTDSA-N 1 2 419.489 1.701 20 0 HDADLO COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032489567 1074169128 /nfs/dbraw/zinc/16/91/28/1074169128.db2.gz MBTKCNBCPVKZLU-SFHVURJKSA-N 1 2 419.522 1.279 20 0 HDADLO CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000543580852 1074171278 /nfs/dbraw/zinc/17/12/78/1074171278.db2.gz UYUZLOYQGBPFRB-HJOIGYKYSA-N 1 2 416.522 1.439 20 0 HDADLO COc1cc2cc(C(=O)N3CC[NH+](CCn4cncn4)CC3)[nH]c2c(OC)c1OC ZINC000674095635 1074181736 /nfs/dbraw/zinc/18/17/36/1074181736.db2.gz GYXIXPHUGKDIJN-UHFFFAOYSA-N 1 2 414.466 1.243 20 0 HDADLO CCOC1CC(CNC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)([NH+]2CCOCC2)C1 ZINC001128617260 1074186024 /nfs/dbraw/zinc/18/60/24/1074186024.db2.gz UEXURXOPFKKVOK-UDTLNKQYSA-N 1 2 415.534 1.535 20 0 HDADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674164922 1074198026 /nfs/dbraw/zinc/19/80/26/1074198026.db2.gz SGJKEZODURJXSV-SJORKVTESA-N 1 2 405.524 1.427 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccnc2OCc2ccccc2)CC1 ZINC000674196127 1074211689 /nfs/dbraw/zinc/21/16/89/1074211689.db2.gz ICLCRCADCJXESI-UHFFFAOYSA-N 1 2 412.490 1.780 20 0 HDADLO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202885 1074218025 /nfs/dbraw/zinc/21/80/25/1074218025.db2.gz XNNQPMHETCWCDX-KRWDZBQOSA-N 1 2 406.450 1.674 20 0 HDADLO COCCOc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000674202268 1074218530 /nfs/dbraw/zinc/21/85/30/1074218530.db2.gz QHNSIOQOTUMMOI-MRXNPFEDSA-N 1 2 402.451 1.719 20 0 HDADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000674204465 1074219904 /nfs/dbraw/zinc/21/99/04/1074219904.db2.gz UGKYCOVIVFXVSO-QGZVFWFLSA-N 1 2 408.462 1.386 20 0 HDADLO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674205378 1074221677 /nfs/dbraw/zinc/22/16/77/1074221677.db2.gz ZTQPABWCNDTJED-SFHVURJKSA-N 1 2 411.462 1.158 20 0 HDADLO O=C(CN1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1)N1CCCC1 ZINC000674274896 1074253797 /nfs/dbraw/zinc/25/37/97/1074253797.db2.gz GTGDAXGIQYWZGW-HNNXBMFYSA-N 1 2 416.349 1.973 20 0 HDADLO COCCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000674275517 1074254412 /nfs/dbraw/zinc/25/44/12/1074254412.db2.gz LHUNBVCTDBKAJS-CQSZACIVSA-N 1 2 420.337 1.113 20 0 HDADLO CNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)o1 ZINC000674361633 1074293297 /nfs/dbraw/zinc/29/32/97/1074293297.db2.gz TXCOSSLMISDYOM-MRXNPFEDSA-N 1 2 402.476 1.943 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)[nH+]c12 ZINC000674407004 1074316757 /nfs/dbraw/zinc/31/67/57/1074316757.db2.gz PUDUPXAWOPKFKA-UHFFFAOYSA-N 1 2 407.474 1.950 20 0 HDADLO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC(=O)N1C ZINC000509225237 1074332738 /nfs/dbraw/zinc/33/27/38/1074332738.db2.gz HDWCBQNHNLCYPR-FXAWDEMLSA-N 1 2 410.522 1.879 20 0 HDADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465880 1074356281 /nfs/dbraw/zinc/35/62/81/1074356281.db2.gz RETWDJNTIUNKJX-FPMFFAJLSA-N 1 2 406.401 1.485 20 0 HDADLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674465880 1074356291 /nfs/dbraw/zinc/35/62/91/1074356291.db2.gz RETWDJNTIUNKJX-FPMFFAJLSA-N 1 2 406.401 1.485 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CCN2C1=O ZINC000674468902 1074367455 /nfs/dbraw/zinc/36/74/55/1074367455.db2.gz SVXQQEQFNXFFBE-CVEARBPZSA-N 1 2 422.432 1.752 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CCN2C1=O ZINC000674468902 1074367459 /nfs/dbraw/zinc/36/74/59/1074367459.db2.gz SVXQQEQFNXFFBE-CVEARBPZSA-N 1 2 422.432 1.752 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000509226396 1074369671 /nfs/dbraw/zinc/36/96/71/1074369671.db2.gz QGCYHPKOQMPOBG-KZNAEPCWSA-N 1 2 416.522 1.414 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N[C@H](C)c3cc(OC)ccc3OC)CCN2C1=O ZINC000674473431 1074370640 /nfs/dbraw/zinc/37/06/40/1074370640.db2.gz UDYYKOYJCVZVMD-CPUCHLNUSA-N 1 2 418.494 1.238 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N[C@H](C)c3cc(OC)ccc3OC)CCN2C1=O ZINC000674473431 1074370646 /nfs/dbraw/zinc/37/06/46/1074370646.db2.gz UDYYKOYJCVZVMD-CPUCHLNUSA-N 1 2 418.494 1.238 20 0 HDADLO CS(=O)(=O)CC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000429229892 1074385078 /nfs/dbraw/zinc/38/50/78/1074385078.db2.gz WSHPLJBERSZQCZ-HNNXBMFYSA-N 1 2 406.342 1.945 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)CCOc3cc(C)cc(C)c3)CCN2C1=O ZINC000674500502 1074396049 /nfs/dbraw/zinc/39/60/49/1074396049.db2.gz ABTOVWBQNVYECT-SFHVURJKSA-N 1 2 402.495 1.109 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)CCOc3cc(C)cc(C)c3)CCN2C1=O ZINC000674500502 1074396057 /nfs/dbraw/zinc/39/60/57/1074396057.db2.gz ABTOVWBQNVYECT-SFHVURJKSA-N 1 2 402.495 1.109 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@H](C)c3cc(OC)c(OC)cc3C)CCN2C1=O ZINC000674501629 1074397740 /nfs/dbraw/zinc/39/77/40/1074397740.db2.gz OEENJHOYOQOOEF-ZBFHGGJFSA-N 1 2 418.494 1.158 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@H](C)c3cc(OC)c(OC)cc3C)CCN2C1=O ZINC000674501629 1074397745 /nfs/dbraw/zinc/39/77/45/1074397745.db2.gz OEENJHOYOQOOEF-ZBFHGGJFSA-N 1 2 418.494 1.158 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3c(C)nn(-c4ccccc4)c3C)CCN2C1=O ZINC000674501550 1074397767 /nfs/dbraw/zinc/39/77/67/1074397767.db2.gz LUSZBXUTOZRQDA-LJQANCHMSA-N 1 2 424.505 1.074 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3c(C)nn(-c4ccccc4)c3C)CCN2C1=O ZINC000674501550 1074397774 /nfs/dbraw/zinc/39/77/74/1074397774.db2.gz LUSZBXUTOZRQDA-LJQANCHMSA-N 1 2 424.505 1.074 20 0 HDADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(CO)CCCCC1 ZINC000674621945 1074482141 /nfs/dbraw/zinc/48/21/41/1074482141.db2.gz CMAOCNPDWAKTAS-UHFFFAOYSA-N 1 2 403.527 1.362 20 0 HDADLO C[C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674666355 1074509994 /nfs/dbraw/zinc/50/99/94/1074509994.db2.gz SWICIUGJMBBUAT-BEFAXECRSA-N 1 2 412.577 1.518 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 ZINC000674725496 1074540672 /nfs/dbraw/zinc/54/06/72/1074540672.db2.gz HUTKNYPXJUQRND-HTAPYJJXSA-N 1 2 424.505 1.724 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 ZINC000674725497 1074541038 /nfs/dbraw/zinc/54/10/38/1074541038.db2.gz HUTKNYPXJUQRND-JTSKRJEESA-N 1 2 424.505 1.724 20 0 HDADLO CCOCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000675052124 1074705213 /nfs/dbraw/zinc/70/52/13/1074705213.db2.gz DKPXFDVTDDOROL-UHFFFAOYSA-N 1 2 419.931 1.268 20 0 HDADLO CCOCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000675052124 1074705225 /nfs/dbraw/zinc/70/52/25/1074705225.db2.gz DKPXFDVTDDOROL-UHFFFAOYSA-N 1 2 419.931 1.268 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@H](Oc4ccccn4)C3)ccn2)CC1 ZINC000543614171 1074716101 /nfs/dbraw/zinc/71/61/01/1074716101.db2.gz XVZFLLUCRUYBQN-KRWDZBQOSA-N 1 2 410.478 1.549 20 0 HDADLO CC[NH+](CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1OC ZINC000675127638 1074733288 /nfs/dbraw/zinc/73/32/88/1074733288.db2.gz FRYUWVNDNAUYRK-UHFFFAOYSA-N 1 2 423.539 1.610 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)CCN2C1=O ZINC000675140909 1074739514 /nfs/dbraw/zinc/73/95/14/1074739514.db2.gz RKIUQDMOXBABDD-INIZCTEOSA-N 1 2 412.450 1.462 20 0 HDADLO C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)c1nnc2n1CCCC2 ZINC000543614988 1074741674 /nfs/dbraw/zinc/74/16/74/1074741674.db2.gz MMGSMRKZVUHIKC-AWEZNQCLSA-N 1 2 412.498 1.280 20 0 HDADLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000543616135 1074747672 /nfs/dbraw/zinc/74/76/72/1074747672.db2.gz FHNWAGWDICEZNP-QGZVFWFLSA-N 1 2 416.526 1.238 20 0 HDADLO O=C(NCCc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000670494437 1074749280 /nfs/dbraw/zinc/74/92/80/1074749280.db2.gz AANXLKCUPQPRQI-INIZCTEOSA-N 1 2 414.333 1.975 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000675219172 1074761048 /nfs/dbraw/zinc/76/10/48/1074761048.db2.gz DWCQUNTXRQUADM-HOTGVXAUSA-N 1 2 413.565 1.143 20 0 HDADLO O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675220058 1074761327 /nfs/dbraw/zinc/76/13/27/1074761327.db2.gz YKAMXFCXIXSVBV-HKUYNNGSSA-N 1 2 407.536 1.163 20 0 HDADLO O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675220087 1074761373 /nfs/dbraw/zinc/76/13/73/1074761373.db2.gz ZYPNGIANUVGORR-GOSISDBHSA-N 1 2 407.536 1.454 20 0 HDADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219396 1074762367 /nfs/dbraw/zinc/76/23/67/1074762367.db2.gz UIGMANZXPAXSGH-QAPCUYQASA-N 1 2 413.515 1.062 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN(Cc4ccco4)CC3)ccn2)CC1 ZINC000543616842 1074763454 /nfs/dbraw/zinc/76/34/54/1074763454.db2.gz LOSGJVBDIOYSGC-UHFFFAOYSA-N 1 2 412.494 1.412 20 0 HDADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nn1[C@@H](C)C1CC1 ZINC000542346113 1074768849 /nfs/dbraw/zinc/76/88/49/1074768849.db2.gz PVVAAMNBKOZGPS-CGTJXYLNSA-N 1 2 403.527 1.861 20 0 HDADLO O=C(CCOc1ccccc1)N1CCC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000675280798 1074785121 /nfs/dbraw/zinc/78/51/21/1074785121.db2.gz KHFRQPBKHFHIGT-HXUWFJFHSA-N 1 2 415.534 1.627 20 0 HDADLO C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000675281408 1074786381 /nfs/dbraw/zinc/78/63/81/1074786381.db2.gz QTMJETIUKSKOMM-MJGOQNOKSA-N 1 2 421.563 1.796 20 0 HDADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC ZINC000675282728 1074787347 /nfs/dbraw/zinc/78/73/47/1074787347.db2.gz KMIBMCVLYHTGGO-UHFFFAOYSA-N 1 2 407.492 1.730 20 0 HDADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1OC ZINC000675282728 1074787355 /nfs/dbraw/zinc/78/73/55/1074787355.db2.gz KMIBMCVLYHTGGO-UHFFFAOYSA-N 1 2 407.492 1.730 20 0 HDADLO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000675296966 1074790951 /nfs/dbraw/zinc/79/09/51/1074790951.db2.gz PGWIDJLZYDKTMG-IUODEOHRSA-N 1 2 417.416 1.316 20 0 HDADLO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CCn2cc[nH+]c2C1 ZINC000543622415 1074816128 /nfs/dbraw/zinc/81/61/28/1074816128.db2.gz MEUSWOBRSUKPSY-ZDUSSCGKSA-N 1 2 411.915 1.519 20 0 HDADLO COC(=O)[C@H](CC(C)C)[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000509330102 1075116540 /nfs/dbraw/zinc/11/65/40/1075116540.db2.gz DINYUCFFJSKDJU-IBGZPJMESA-N 1 2 411.568 1.479 20 0 HDADLO CN(C)c1nc2cc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)ccc2o1 ZINC000766161215 1075120389 /nfs/dbraw/zinc/12/03/89/1075120389.db2.gz FGOUETUFQUIHJD-UHFFFAOYSA-N 1 2 409.512 1.524 20 0 HDADLO C[C@@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000675389548 1075122212 /nfs/dbraw/zinc/12/22/12/1075122212.db2.gz GOPUQTNSHWYGBH-PKOBYXMFSA-N 1 2 411.506 1.612 20 0 HDADLO C[C@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000675389545 1075122256 /nfs/dbraw/zinc/12/22/56/1075122256.db2.gz GOPUQTNSHWYGBH-IEBWSBKVSA-N 1 2 411.506 1.612 20 0 HDADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000042384649 1075157518 /nfs/dbraw/zinc/15/75/18/1075157518.db2.gz MOQMWCUNESJHRO-HUUCEWRRSA-N 1 2 410.921 1.709 20 0 HDADLO O=C(Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429352637 1075171083 /nfs/dbraw/zinc/17/10/83/1075171083.db2.gz IDFDSEUPGJKTIQ-GOSISDBHSA-N 1 2 422.489 1.833 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(OC2CCCCC2)CC1 ZINC000438324874 1075186542 /nfs/dbraw/zinc/18/65/42/1075186542.db2.gz LQEUVKFNJQUYKZ-UHFFFAOYSA-N 1 2 405.543 2.561 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000520928079 1075191225 /nfs/dbraw/zinc/19/12/25/1075191225.db2.gz HHWRXWREPLMEIQ-SFHVURJKSA-N 1 2 413.478 1.585 20 0 HDADLO CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000469912873 1075198599 /nfs/dbraw/zinc/19/85/99/1075198599.db2.gz DZEAQFOUYCVBJG-UHFFFAOYSA-N 1 2 414.510 2.341 20 0 HDADLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)on1 ZINC001005740718 1075200981 /nfs/dbraw/zinc/20/09/81/1075200981.db2.gz HDAHJQUITRHRQL-QZFZTSDASA-N 1 2 402.495 1.656 20 0 HDADLO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)no1 ZINC000518958551 1075203377 /nfs/dbraw/zinc/20/33/77/1075203377.db2.gz UHZAAZICZFMCPB-HZPDHXFCSA-N 1 2 410.540 1.757 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000675570137 1075208112 /nfs/dbraw/zinc/20/81/12/1075208112.db2.gz YJGWJCNHUKTFJS-UHFFFAOYSA-N 1 2 413.478 1.856 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675575423 1075209413 /nfs/dbraw/zinc/20/94/13/1075209413.db2.gz PZYOYSHINOGSRS-PXNSSMCTSA-N 1 2 410.584 1.285 20 0 HDADLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675575787 1075209953 /nfs/dbraw/zinc/20/99/53/1075209953.db2.gz YRMVDRYVAGBOAY-LJQANCHMSA-N 1 2 403.446 1.673 20 0 HDADLO CCN(CC)c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000438353721 1075210898 /nfs/dbraw/zinc/21/08/98/1075210898.db2.gz BHLQBSRIWUFTNS-UHFFFAOYSA-N 1 2 401.515 1.778 20 0 HDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000438114324 1075211935 /nfs/dbraw/zinc/21/19/35/1075211935.db2.gz ICEVFEILVJYEBW-UHFFFAOYSA-N 1 2 413.526 2.137 20 0 HDADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675586135 1075215114 /nfs/dbraw/zinc/21/51/14/1075215114.db2.gz XZTDKLQWADCIIV-IBGZPJMESA-N 1 2 408.462 1.562 20 0 HDADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CC2)c1 ZINC000675587221 1075216414 /nfs/dbraw/zinc/21/64/14/1075216414.db2.gz ZPBCIOKJCRRORO-HXUWFJFHSA-N 1 2 411.506 1.653 20 0 HDADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675596272 1075233912 /nfs/dbraw/zinc/23/39/12/1075233912.db2.gz SECSCWMBIXCMHL-FXAWDEMLSA-N 1 2 411.506 1.734 20 0 HDADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675596272 1075233916 /nfs/dbraw/zinc/23/39/16/1075233916.db2.gz SECSCWMBIXCMHL-FXAWDEMLSA-N 1 2 411.506 1.734 20 0 HDADLO O=C(N[C@@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675662192 1075250963 /nfs/dbraw/zinc/25/09/63/1075250963.db2.gz BKYPCLJAYGHSFY-CABCVRRESA-N 1 2 410.469 1.769 20 0 HDADLO O=C(N[C@@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675662192 1075250970 /nfs/dbraw/zinc/25/09/70/1075250970.db2.gz BKYPCLJAYGHSFY-CABCVRRESA-N 1 2 410.469 1.769 20 0 HDADLO COCCOCc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000675702087 1075256610 /nfs/dbraw/zinc/25/66/10/1075256610.db2.gz QXAKMHSRYBNAJH-UXHICEINSA-N 1 2 419.522 1.548 20 0 HDADLO C[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000675744972 1075267421 /nfs/dbraw/zinc/26/74/21/1075267421.db2.gz QJQNYNSCZKHZQV-HNNXBMFYSA-N 1 2 422.489 1.970 20 0 HDADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000429384543 1075300611 /nfs/dbraw/zinc/30/06/11/1075300611.db2.gz LWOVVZCDFJOLTK-MRXNPFEDSA-N 1 2 412.494 1.416 20 0 HDADLO CC(=O)[C@H]1CC(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)=NN1c1ccccc1 ZINC000731334972 1075307767 /nfs/dbraw/zinc/30/77/67/1075307767.db2.gz DMBSHCLHDGFHLX-LJQANCHMSA-N 1 2 410.478 1.378 20 0 HDADLO Cc1nnnn1/C(=C\c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731336132 1075308129 /nfs/dbraw/zinc/30/81/29/1075308129.db2.gz NWPICRIIRNABCI-SDXDJHTJSA-N 1 2 408.466 1.147 20 0 HDADLO CCc1ccc(N2C[C@@H](C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2=O)cc1 ZINC000731336523 1075308591 /nfs/dbraw/zinc/30/85/91/1075308591.db2.gz QCLVYMNKEPETBG-SFHVURJKSA-N 1 2 411.506 1.769 20 0 HDADLO COc1ccc(NC(=O)CC[NH+]2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl ZINC000675951466 1075312962 /nfs/dbraw/zinc/31/29/62/1075312962.db2.gz HDMISDFNWALCTA-UHFFFAOYSA-N 1 2 404.920 1.101 20 0 HDADLO Cn1nc(Br)c2c1ncnc2Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731352462 1075316633 /nfs/dbraw/zinc/31/66/33/1075316633.db2.gz YUDQITRTPULDMH-UHFFFAOYSA-N 1 2 407.276 1.398 20 0 HDADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675974386 1075317003 /nfs/dbraw/zinc/31/70/03/1075317003.db2.gz BNSVYCNLHGXHDH-HNNXBMFYSA-N 1 2 407.474 1.928 20 0 HDADLO Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000446770593 1075333547 /nfs/dbraw/zinc/33/35/47/1075333547.db2.gz RYHWVUMFFDNPDP-INIZCTEOSA-N 1 2 417.535 1.887 20 0 HDADLO CN(C)C(=O)Sc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731435796 1075350268 /nfs/dbraw/zinc/35/02/68/1075350268.db2.gz KLZMILMWSPBMGP-OAHLLOKOSA-N 1 2 420.535 1.580 20 0 HDADLO O=C(Cn1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cn1)NC1CCCC1 ZINC000676094146 1075357016 /nfs/dbraw/zinc/35/70/16/1075357016.db2.gz RHEOGULVLJCXJB-UHFFFAOYSA-N 1 2 424.505 1.012 20 0 HDADLO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000731465417 1075357233 /nfs/dbraw/zinc/35/72/33/1075357233.db2.gz ITHQEZBXZSQALI-HNNXBMFYSA-N 1 2 424.486 1.231 20 0 HDADLO Cc1ccc(C)c(OCC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451400 1075388017 /nfs/dbraw/zinc/38/80/17/1075388017.db2.gz FFFICWDPXLZSEC-BHNQRHOYSA-N 1 2 400.519 1.923 20 0 HDADLO Cc1ccc(C)c(OCC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451400 1075388022 /nfs/dbraw/zinc/38/80/22/1075388022.db2.gz FFFICWDPXLZSEC-BHNQRHOYSA-N 1 2 400.519 1.923 20 0 HDADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000676137641 1075406061 /nfs/dbraw/zinc/40/60/61/1075406061.db2.gz NKDYHFJNXSOSOA-OAHLLOKOSA-N 1 2 409.914 1.476 20 0 HDADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000543661329 1075411455 /nfs/dbraw/zinc/41/14/55/1075411455.db2.gz CIEIBYJTLZVCJP-QGZVFWFLSA-N 1 2 412.494 1.608 20 0 HDADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000543663455 1075420204 /nfs/dbraw/zinc/42/02/04/1075420204.db2.gz ORZVBTDSRCXHDI-CABCVRRESA-N 1 2 400.483 1.510 20 0 HDADLO CCn1nc(C(F)(F)F)c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C(F)F ZINC000676181222 1075423598 /nfs/dbraw/zinc/42/35/98/1075423598.db2.gz CCJNTIGTHKYPIQ-SNVBAGLBSA-N 1 2 414.375 1.625 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000731648265 1075426331 /nfs/dbraw/zinc/42/63/31/1075426331.db2.gz JGXPVBMPZGEDJN-UHFFFAOYSA-N 1 2 407.305 1.827 20 0 HDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000429403068 1075426535 /nfs/dbraw/zinc/42/65/35/1075426535.db2.gz ONBOZWRFEQKSNN-JFIYKMOQSA-N 1 2 416.522 1.832 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000731647910 1075427823 /nfs/dbraw/zinc/42/78/23/1075427823.db2.gz DZAUQYYHUJGVNA-UHFFFAOYSA-N 1 2 417.531 1.899 20 0 HDADLO C[C@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)NC(=O)C1CCCCC1 ZINC000731649293 1075428160 /nfs/dbraw/zinc/42/81/60/1075428160.db2.gz KSUFLOJBEJNFCL-OAHLLOKOSA-N 1 2 401.573 1.087 20 0 HDADLO Cc1cccc(NC(=O)CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1C ZINC000731686231 1075446601 /nfs/dbraw/zinc/44/66/01/1075446601.db2.gz PCLLXGWKDMJXBC-UHFFFAOYSA-N 1 2 424.567 1.392 20 0 HDADLO COCCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@@H](C)c1ccccc1 ZINC000731686510 1075446699 /nfs/dbraw/zinc/44/66/99/1075446699.db2.gz BPQKKWBUBVWUSZ-KRWDZBQOSA-N 1 2 411.568 1.915 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000731685851 1075448487 /nfs/dbraw/zinc/44/84/87/1075448487.db2.gz DKZJKFFODWYWJO-UHFFFAOYSA-N 1 2 423.579 1.886 20 0 HDADLO CC[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Oc1cccc(C)c1 ZINC000428895793 1075457054 /nfs/dbraw/zinc/45/70/54/1075457054.db2.gz QZBUAEUCQAEOMB-SFHVURJKSA-N 1 2 401.511 2.503 20 0 HDADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1 ZINC000731679600 1075461826 /nfs/dbraw/zinc/46/18/26/1075461826.db2.gz PYHCMZOHGBOANX-HNNXBMFYSA-N 1 2 420.539 1.137 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC000731679681 1075462707 /nfs/dbraw/zinc/46/27/07/1075462707.db2.gz KVERZQGAPGSJTO-UHFFFAOYSA-N 1 2 409.537 1.836 20 0 HDADLO COc1cccc(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1OC ZINC000731681312 1075463188 /nfs/dbraw/zinc/46/31/88/1075463188.db2.gz RUHQAGLJIGLIOZ-UHFFFAOYSA-N 1 2 413.540 1.055 20 0 HDADLO CCCOCc1ccccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683094 1075466572 /nfs/dbraw/zinc/46/65/72/1075466572.db2.gz WCNJWOOOLSCOGR-UHFFFAOYSA-N 1 2 411.568 1.921 20 0 HDADLO C[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)COCc1ccccc1 ZINC000731683583 1075467094 /nfs/dbraw/zinc/46/70/94/1075467094.db2.gz FSGKZWNUGSIAGO-QGZVFWFLSA-N 1 2 411.568 1.648 20 0 HDADLO CCOc1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1F ZINC000731684936 1075469092 /nfs/dbraw/zinc/46/90/92/1075469092.db2.gz OBASTZCRBVMBJW-UHFFFAOYSA-N 1 2 401.504 1.533 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000676271442 1075474284 /nfs/dbraw/zinc/47/42/84/1075474284.db2.gz HZZXTNGACXATFA-VLIAUNLRSA-N 1 2 416.482 1.069 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000676271441 1075474322 /nfs/dbraw/zinc/47/43/22/1075474322.db2.gz HZZXTNGACXATFA-VBKZILBWSA-N 1 2 416.482 1.069 20 0 HDADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000509401484 1075496968 /nfs/dbraw/zinc/49/69/68/1075496968.db2.gz JVLPWZHWDZYVOK-LLVKDONJSA-N 1 2 410.323 1.304 20 0 HDADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000509401484 1075496971 /nfs/dbraw/zinc/49/69/71/1075496971.db2.gz JVLPWZHWDZYVOK-LLVKDONJSA-N 1 2 410.323 1.304 20 0 HDADLO CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446749414 1075501875 /nfs/dbraw/zinc/50/18/75/1075501875.db2.gz AQLKUHQZGWPNFK-LJQANCHMSA-N 1 2 413.522 2.154 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Cn3cccn3)cc2)CC1 ZINC000731753431 1075509547 /nfs/dbraw/zinc/50/95/47/1075509547.db2.gz ZPTHSASCXVJVBM-UHFFFAOYSA-N 1 2 405.524 1.562 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000731754253 1075510859 /nfs/dbraw/zinc/51/08/59/1075510859.db2.gz SILDSAPDLNZVKI-UHFFFAOYSA-N 1 2 424.523 1.269 20 0 HDADLO COc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1NC(C)=O ZINC000731753911 1075511176 /nfs/dbraw/zinc/51/11/76/1075511176.db2.gz ZDSQVWBZNRTFMO-UHFFFAOYSA-N 1 2 412.512 1.284 20 0 HDADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000676339816 1075513644 /nfs/dbraw/zinc/51/36/44/1075513644.db2.gz GRWQPDBZCWWDOS-NRFANRHFSA-N 1 2 414.550 1.884 20 0 HDADLO COc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1OCC(=O)NC(C)C ZINC000676341284 1075514445 /nfs/dbraw/zinc/51/44/45/1075514445.db2.gz KWSVIIKRCRWEOV-KRWDZBQOSA-N 1 2 405.495 1.145 20 0 HDADLO CC(C)(C)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731765427 1075518467 /nfs/dbraw/zinc/51/84/67/1075518467.db2.gz QMZVNVHNRJKGIU-UHFFFAOYSA-N 1 2 409.552 1.548 20 0 HDADLO COc1c[nH+]c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000557630622 1075518736 /nfs/dbraw/zinc/51/87/36/1075518736.db2.gz OGLCNAWVOOHVOZ-ZIAGYGMSSA-N 1 2 418.542 2.108 20 0 HDADLO COc1c[nH+]c(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc1N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000557630617 1075518798 /nfs/dbraw/zinc/51/87/98/1075518798.db2.gz OGLCNAWVOOHVOZ-KBPBESRZSA-N 1 2 418.542 2.108 20 0 HDADLO Cc1cc2cc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)oc2cc1C ZINC000509406588 1075519781 /nfs/dbraw/zinc/51/97/81/1075519781.db2.gz XTJJNCXVADJXOS-UHFFFAOYSA-N 1 2 406.552 1.659 20 0 HDADLO C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000676346583 1075519957 /nfs/dbraw/zinc/51/99/57/1075519957.db2.gz AKJGMYTYSOOSBA-YVEFUNNKSA-N 1 2 410.471 1.404 20 0 HDADLO C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000676346583 1075519960 /nfs/dbraw/zinc/51/99/60/1075519960.db2.gz AKJGMYTYSOOSBA-YVEFUNNKSA-N 1 2 410.471 1.404 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000676333289 1075522953 /nfs/dbraw/zinc/52/29/53/1075522953.db2.gz ZQDIKPAUAQJSOY-ZWNOBZJWSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000676333289 1075522957 /nfs/dbraw/zinc/52/29/57/1075522957.db2.gz ZQDIKPAUAQJSOY-ZWNOBZJWSA-N 1 2 401.364 1.874 20 0 HDADLO CCc1ccc([C@H]2COCCN2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)o1 ZINC000480743037 1075524489 /nfs/dbraw/zinc/52/44/89/1075524489.db2.gz FSTCQVNOSGYRSL-QGZVFWFLSA-N 1 2 403.483 1.976 20 0 HDADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000731826852 1075525625 /nfs/dbraw/zinc/52/56/25/1075525625.db2.gz MSIVNRCVIBENKM-CQSZACIVSA-N 1 2 417.959 1.508 20 0 HDADLO COc1ncc(Cl)c(N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000488426088 1075526919 /nfs/dbraw/zinc/52/69/19/1075526919.db2.gz RYZNSXCFSHRTGP-CYBMUJFWSA-N 1 2 405.890 1.846 20 0 HDADLO COc1ncc(Cl)c(N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000488426088 1075526924 /nfs/dbraw/zinc/52/69/24/1075526924.db2.gz RYZNSXCFSHRTGP-CYBMUJFWSA-N 1 2 405.890 1.846 20 0 HDADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000731847739 1075531398 /nfs/dbraw/zinc/53/13/98/1075531398.db2.gz YGWNCYIHXXSPBB-UHFFFAOYSA-N 1 2 417.462 1.059 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC(CS(C)(=O)=O)CC3)c2)cc[nH+]1 ZINC000553740556 1075535345 /nfs/dbraw/zinc/53/53/45/1075535345.db2.gz GOJYIAIBAPNUEU-UHFFFAOYSA-N 1 2 402.520 2.294 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](S(=O)(=O)N(C)C)C3)c2)cc[nH+]1 ZINC000552691572 1075536262 /nfs/dbraw/zinc/53/62/62/1075536262.db2.gz SAWRCHSXXPOVAE-GOSISDBHSA-N 1 2 417.535 1.893 20 0 HDADLO CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000047371909 1075539522 /nfs/dbraw/zinc/53/95/22/1075539522.db2.gz MGBYJBMKLNBZHX-CQSZACIVSA-N 1 2 415.585 1.922 20 0 HDADLO C[C@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676401890 1075544317 /nfs/dbraw/zinc/54/43/17/1075544317.db2.gz GOIBELCBELINNU-SWLSCSKDSA-N 1 2 403.870 1.831 20 0 HDADLO C[C@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676401890 1075544321 /nfs/dbraw/zinc/54/43/21/1075544321.db2.gz GOIBELCBELINNU-SWLSCSKDSA-N 1 2 403.870 1.831 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000731839711 1075545674 /nfs/dbraw/zinc/54/56/74/1075545674.db2.gz YTHJKAPJWNDWQR-HXUWFJFHSA-N 1 2 421.563 1.365 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000026362451 1075553223 /nfs/dbraw/zinc/55/32/23/1075553223.db2.gz IDDOOTZQSGXVIH-SFHVURJKSA-N 1 2 422.489 1.884 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccc(-n4cncn4)cc3)c[nH+]2)CC1 ZINC000676493527 1075564925 /nfs/dbraw/zinc/56/49/25/1075564925.db2.gz AUEVADVZWVEJNR-UHFFFAOYSA-N 1 2 413.507 1.356 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cccc4c3OCCO4)c[nH+]2)CC1 ZINC000676494686 1075565602 /nfs/dbraw/zinc/56/56/02/1075565602.db2.gz CLVQMQACYLVNLX-UHFFFAOYSA-N 1 2 404.492 1.547 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(OCC)cc32)CC1 ZINC000676510657 1075572578 /nfs/dbraw/zinc/57/25/78/1075572578.db2.gz AJXDDOJMYCXMTD-GOSISDBHSA-N 1 2 405.495 1.206 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cnn(-c4ccccc4)c3)c[nH+]2)CC1 ZINC000676495736 1075573674 /nfs/dbraw/zinc/57/36/74/1075573674.db2.gz RXUQWYGJKUAORH-UHFFFAOYSA-N 1 2 412.519 1.961 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000731966577 1075578337 /nfs/dbraw/zinc/57/83/37/1075578337.db2.gz OUWGPJCBJKHQBH-FPLPWBNLSA-N 1 2 421.501 1.674 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000676551422 1075583764 /nfs/dbraw/zinc/58/37/64/1075583764.db2.gz NUPLQLUTAIAKFP-HXUWFJFHSA-N 1 2 411.506 1.811 20 0 HDADLO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000676554386 1075586779 /nfs/dbraw/zinc/58/67/79/1075586779.db2.gz KPSFRJOJQHHAHB-RBUKOAKNSA-N 1 2 412.494 1.025 20 0 HDADLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(-n2ccnn2)cc1 ZINC000534486701 1075589929 /nfs/dbraw/zinc/58/99/29/1075589929.db2.gz SJBPMPNAGNAWMA-MRXNPFEDSA-N 1 2 410.482 1.679 20 0 HDADLO O=C(NCc1cc(-c2ccccc2)on1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000676548599 1075596343 /nfs/dbraw/zinc/59/63/43/1075596343.db2.gz FYZRIJJTJYHDKO-UHFFFAOYSA-N 1 2 424.461 1.125 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCCc2sccc2C1 ZINC000676549899 1075597176 /nfs/dbraw/zinc/59/71/76/1075597176.db2.gz CXQIOLZOYLHTCI-UHFFFAOYSA-N 1 2 403.508 1.190 20 0 HDADLO O=C(NCCC1CCN(CC(F)(F)F)CC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000676567192 1075597890 /nfs/dbraw/zinc/59/78/90/1075597890.db2.gz RTNWXADQPKVPLP-UHFFFAOYSA-N 1 2 415.460 1.896 20 0 HDADLO C[C@@H](SCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1nc2ccccc2[nH]1 ZINC000557712961 1075598033 /nfs/dbraw/zinc/59/80/33/1075598033.db2.gz KXIGQHLFPRXDRY-OAHLLOKOSA-N 1 2 414.535 2.525 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000732086709 1075621386 /nfs/dbraw/zinc/62/13/86/1075621386.db2.gz GWKRFSDFNFUNNP-UHFFFAOYSA-N 1 2 414.897 1.849 20 0 HDADLO O=C(c1cccnc1)N1CCC(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000732128319 1075631342 /nfs/dbraw/zinc/63/13/42/1075631342.db2.gz XCGWKAHMHBWJPQ-FQEVSTJZSA-N 1 2 400.523 1.647 20 0 HDADLO CN(C)c1nc(N)nc(COc2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)n1 ZINC000533089054 1075633881 /nfs/dbraw/zinc/63/38/81/1075633881.db2.gz VMNFTUGIPVKPOV-ZDUSSCGKSA-N 1 2 408.466 1.496 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(CN2CCN(c3cc(C)cc[nH+]3)CC2)n1 ZINC000486248548 1075641825 /nfs/dbraw/zinc/64/18/25/1075641825.db2.gz FEGKGLUPNNRCBO-UHFFFAOYSA-N 1 2 406.494 1.654 20 0 HDADLO CCCC1N=NC(=S)N1CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165948 1075643697 /nfs/dbraw/zinc/64/36/97/1075643697.db2.gz RSVFZQCJLMYUGB-QGZVFWFLSA-N 1 2 403.552 1.579 20 0 HDADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000732149180 1075650317 /nfs/dbraw/zinc/65/03/17/1075650317.db2.gz MZNHGRWKEUIXEP-VFSLUADLSA-N 1 2 415.534 1.544 20 0 HDADLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000732187370 1075654021 /nfs/dbraw/zinc/65/40/21/1075654021.db2.gz SBFFJNXNOUOAPF-XXBNENTESA-N 1 2 410.518 1.987 20 0 HDADLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000732187370 1075654025 /nfs/dbraw/zinc/65/40/25/1075654025.db2.gz SBFFJNXNOUOAPF-XXBNENTESA-N 1 2 410.518 1.987 20 0 HDADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000732187367 1075654078 /nfs/dbraw/zinc/65/40/78/1075654078.db2.gz SBFFJNXNOUOAPF-AUSIDOKSSA-N 1 2 410.518 1.987 20 0 HDADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000732187367 1075654083 /nfs/dbraw/zinc/65/40/83/1075654083.db2.gz SBFFJNXNOUOAPF-AUSIDOKSSA-N 1 2 410.518 1.987 20 0 HDADLO COCc1ncc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(N)n1 ZINC000501146971 1075667433 /nfs/dbraw/zinc/66/74/33/1075667433.db2.gz BCJWANMANZHHGJ-UHFFFAOYSA-N 1 2 404.902 1.411 20 0 HDADLO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3nnc4ccccc4c3O)cc2)CC1 ZINC000732274930 1075686459 /nfs/dbraw/zinc/68/64/59/1075686459.db2.gz DEXFSPGQCBAPHZ-UHFFFAOYSA-N 1 2 405.458 1.904 20 0 HDADLO CCOc1ccc(C2=CC[N@@H+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000509434001 1075687765 /nfs/dbraw/zinc/68/77/65/1075687765.db2.gz WLRZKUCYCOEHLD-AWEZNQCLSA-N 1 2 412.490 1.425 20 0 HDADLO CCOc1ccc(C2=CC[N@H+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000509434001 1075687766 /nfs/dbraw/zinc/68/77/66/1075687766.db2.gz WLRZKUCYCOEHLD-AWEZNQCLSA-N 1 2 412.490 1.425 20 0 HDADLO CCCCNc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000553310585 1075694155 /nfs/dbraw/zinc/69/41/55/1075694155.db2.gz FCDFZNABKXXUAM-UHFFFAOYSA-N 1 2 404.540 1.923 20 0 HDADLO CCCCNc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH+]c(N)n1 ZINC000553310585 1075694157 /nfs/dbraw/zinc/69/41/57/1075694157.db2.gz FCDFZNABKXXUAM-UHFFFAOYSA-N 1 2 404.540 1.923 20 0 HDADLO CC(C)c1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996031 1075694972 /nfs/dbraw/zinc/69/49/72/1075694972.db2.gz NGOCPCMXUKPVCB-NLEPDTAZSA-N 1 2 404.511 1.667 20 0 HDADLO CC(C)c1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996031 1075694975 /nfs/dbraw/zinc/69/49/75/1075694975.db2.gz NGOCPCMXUKPVCB-NLEPDTAZSA-N 1 2 404.511 1.667 20 0 HDADLO CCn1c(C)nnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21 ZINC001084995846 1075695011 /nfs/dbraw/zinc/69/50/11/1075695011.db2.gz DNHNAUFPJVZORX-AISVETHESA-N 1 2 403.527 1.081 20 0 HDADLO CCn1c(C)nnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21 ZINC001084995846 1075695015 /nfs/dbraw/zinc/69/50/15/1075695015.db2.gz DNHNAUFPJVZORX-AISVETHESA-N 1 2 403.527 1.081 20 0 HDADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)o1 ZINC001084996288 1075695395 /nfs/dbraw/zinc/69/53/95/1075695395.db2.gz ZMPAOLSNSLLYKL-NLEPDTAZSA-N 1 2 404.511 1.667 20 0 HDADLO CC(C)c1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)o1 ZINC001084996288 1075695396 /nfs/dbraw/zinc/69/53/96/1075695396.db2.gz ZMPAOLSNSLLYKL-NLEPDTAZSA-N 1 2 404.511 1.667 20 0 HDADLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC[C@H]2CC[N@H+](Cc3noc4c3COCC4)[C@H]2C1 ZINC001084992337 1075697081 /nfs/dbraw/zinc/69/70/81/1075697081.db2.gz UXVOVGKKPFFCFM-VFKUPZNOSA-N 1 2 401.507 1.985 20 0 HDADLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC[C@H]2CC[N@@H+](Cc3noc4c3COCC4)[C@H]2C1 ZINC001084992337 1075697085 /nfs/dbraw/zinc/69/70/85/1075697085.db2.gz UXVOVGKKPFFCFM-VFKUPZNOSA-N 1 2 401.507 1.985 20 0 HDADLO Cn1c(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)nnc1C1CCC1 ZINC001084992628 1075697815 /nfs/dbraw/zinc/69/78/15/1075697815.db2.gz JWKHFWZAQAPCDC-HDSKRWHSSA-N 1 2 411.550 1.929 20 0 HDADLO Cn1c(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)nnc1C1CCC1 ZINC001084992628 1075697820 /nfs/dbraw/zinc/69/78/20/1075697820.db2.gz JWKHFWZAQAPCDC-HDSKRWHSSA-N 1 2 411.550 1.929 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000436893336 1075704291 /nfs/dbraw/zinc/70/42/91/1075704291.db2.gz NCQARRLJMLSZCW-CQSZACIVSA-N 1 2 401.536 2.507 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000436893336 1075704296 /nfs/dbraw/zinc/70/42/96/1075704296.db2.gz NCQARRLJMLSZCW-CQSZACIVSA-N 1 2 401.536 2.507 20 0 HDADLO C[C@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543585070 1075705351 /nfs/dbraw/zinc/70/53/51/1075705351.db2.gz GJLYJMXOJKHKEW-KBPBESRZSA-N 1 2 408.480 1.373 20 0 HDADLO CC(=O)c1cccc(OCCCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000596033072 1075747844 /nfs/dbraw/zinc/74/78/44/1075747844.db2.gz FPVSZYXSWOKMHM-UHFFFAOYSA-N 1 2 400.479 2.216 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000520807246 1075748986 /nfs/dbraw/zinc/74/89/86/1075748986.db2.gz WEPHFWOESDEPQP-UHFFFAOYSA-N 1 2 417.477 1.962 20 0 HDADLO COC(=O)N1CCC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732460002 1075749954 /nfs/dbraw/zinc/74/99/54/1075749954.db2.gz VTOGPVQAZQGWTP-RBUKOAKNSA-N 1 2 404.511 1.460 20 0 HDADLO CC(C)(C)C1CCC(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446819948 1075751990 /nfs/dbraw/zinc/75/19/90/1075751990.db2.gz WTNLFSFJSRLQIE-UHFFFAOYSA-N 1 2 419.570 2.123 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497887310 1075755454 /nfs/dbraw/zinc/75/54/54/1075755454.db2.gz VNILQPFQXVPSPX-AEFFLSMTSA-N 1 2 415.448 1.706 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497887310 1075755456 /nfs/dbraw/zinc/75/54/56/1075755456.db2.gz VNILQPFQXVPSPX-AEFFLSMTSA-N 1 2 415.448 1.706 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCCC[C@H]1C1OCCO1 ZINC000732476307 1075757105 /nfs/dbraw/zinc/75/71/05/1075757105.db2.gz DEGDXEVTMYIVOQ-UXHICEINSA-N 1 2 403.523 1.867 20 0 HDADLO CCOC(=O)N[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732476770 1075757215 /nfs/dbraw/zinc/75/72/15/1075757215.db2.gz VXFHBHPBPUHFGO-WOJBJXKFSA-N 1 2 418.538 1.850 20 0 HDADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1=O ZINC000429479428 1075766490 /nfs/dbraw/zinc/76/64/90/1075766490.db2.gz WZVCWEDXZFSXKQ-AFYVEPGGSA-N 1 2 400.523 1.238 20 0 HDADLO CCCNC(=O)CSc1nnc(S[C@H](C)C(=O)N2CC[NH+](CC)CC2)s1 ZINC000029630089 1075768575 /nfs/dbraw/zinc/76/85/75/1075768575.db2.gz MFSGXUNVROEPLY-GFCCVEGCSA-N 1 2 417.626 1.801 20 0 HDADLO CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000518259553 1075772514 /nfs/dbraw/zinc/77/25/14/1075772514.db2.gz MXMWJDWNRDWMKJ-UHFFFAOYSA-N 1 2 413.522 1.881 20 0 HDADLO CCN1C[C@@H](C[N@H+](C)CC(=O)NCC(C)(C)N2CCOCC2)Oc2ccccc21 ZINC000016423558 1075786654 /nfs/dbraw/zinc/78/66/54/1075786654.db2.gz BMCDZADQRQJBBS-GOSISDBHSA-N 1 2 404.555 1.433 20 0 HDADLO CCN1C[C@@H](C[N@@H+](C)CC(=O)NCC(C)(C)N2CCOCC2)Oc2ccccc21 ZINC000016423558 1075786660 /nfs/dbraw/zinc/78/66/60/1075786660.db2.gz BMCDZADQRQJBBS-GOSISDBHSA-N 1 2 404.555 1.433 20 0 HDADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)C1 ZINC000469160835 1075795087 /nfs/dbraw/zinc/79/50/87/1075795087.db2.gz ULPMIJCOJMIDGE-ZDUSSCGKSA-N 1 2 412.231 1.950 20 0 HDADLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(-c3ccc(I)cc3)[nH]n2)C1 ZINC000469160835 1075795093 /nfs/dbraw/zinc/79/50/93/1075795093.db2.gz ULPMIJCOJMIDGE-ZDUSSCGKSA-N 1 2 412.231 1.950 20 0 HDADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000509277672 1075809893 /nfs/dbraw/zinc/80/98/93/1075809893.db2.gz CDJJWJYWRBMMDK-HNNXBMFYSA-N 1 2 400.497 1.058 20 0 HDADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCS(=O)(=O)N(C)C ZINC000509277672 1075809895 /nfs/dbraw/zinc/80/98/95/1075809895.db2.gz CDJJWJYWRBMMDK-HNNXBMFYSA-N 1 2 400.497 1.058 20 0 HDADLO CC(C)n1cnnc1CN(C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000429290693 1075825474 /nfs/dbraw/zinc/82/54/74/1075825474.db2.gz RXJKMMQLBCKSMY-UHFFFAOYSA-N 1 2 412.538 1.570 20 0 HDADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)[NH+]1CCOCC1 ZINC000532339730 1075831842 /nfs/dbraw/zinc/83/18/42/1075831842.db2.gz ZJYYIPPFJCIKPO-LJQANCHMSA-N 1 2 413.522 1.733 20 0 HDADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000429293092 1075832969 /nfs/dbraw/zinc/83/29/69/1075832969.db2.gz JHTZQSXBYPUABN-LSDHHAIUSA-N 1 2 424.567 1.594 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000429293082 1075833053 /nfs/dbraw/zinc/83/30/53/1075833053.db2.gz JHTZQSXBYPUABN-CABCVRRESA-N 1 2 424.567 1.594 20 0 HDADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)o1 ZINC000611101927 1075834452 /nfs/dbraw/zinc/83/44/52/1075834452.db2.gz QOMNPMFEYPKKCD-UHFFFAOYSA-N 1 2 409.464 1.467 20 0 HDADLO CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000596034136 1075849619 /nfs/dbraw/zinc/84/96/19/1075849619.db2.gz GIIIRKCMOOJDJS-UHFFFAOYSA-N 1 2 414.510 1.675 20 0 HDADLO CC(C)NC(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000470610022 1075850626 /nfs/dbraw/zinc/85/06/26/1075850626.db2.gz JNUCFJZGQXCTQY-UHFFFAOYSA-N 1 2 400.483 1.998 20 0 HDADLO CCOC(=O)N1CCC(NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000766156822 1075851414 /nfs/dbraw/zinc/85/14/14/1075851414.db2.gz YCPNZHPVCMRNIP-UHFFFAOYSA-N 1 2 406.502 1.680 20 0 HDADLO O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000543606734 1075856896 /nfs/dbraw/zinc/85/68/96/1075856896.db2.gz JOFGZHVYHGQLCF-SXLOBPIMSA-N 1 2 419.497 1.343 20 0 HDADLO CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000611207833 1075874097 /nfs/dbraw/zinc/87/40/97/1075874097.db2.gz BCWIFUJUQBVZBQ-KRWDZBQOSA-N 1 2 421.542 1.067 20 0 HDADLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1OC ZINC000732818914 1075878792 /nfs/dbraw/zinc/87/87/92/1075878792.db2.gz LRPQTXJVQWNEKF-SJORKVTESA-N 1 2 415.490 1.813 20 0 HDADLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1OC ZINC000732818914 1075878799 /nfs/dbraw/zinc/87/87/99/1075878799.db2.gz LRPQTXJVQWNEKF-SJORKVTESA-N 1 2 415.490 1.813 20 0 HDADLO CCn1cc(NC(=S)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000732913006 1075910475 /nfs/dbraw/zinc/91/04/75/1075910475.db2.gz PESRMJNDXKCWTH-HNNXBMFYSA-N 1 2 416.555 1.485 20 0 HDADLO CCn1cc(NC(=S)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000732913006 1075910478 /nfs/dbraw/zinc/91/04/78/1075910478.db2.gz PESRMJNDXKCWTH-HNNXBMFYSA-N 1 2 416.555 1.485 20 0 HDADLO O=C(/C=C/c1cncc(F)c1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916692 1075912871 /nfs/dbraw/zinc/91/28/71/1075912871.db2.gz SFLHIIGZQVDNMP-OAJJDEHYSA-N 1 2 412.469 1.646 20 0 HDADLO O=C(/C=C/c1cncc(F)c1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916692 1075912873 /nfs/dbraw/zinc/91/28/73/1075912873.db2.gz SFLHIIGZQVDNMP-OAJJDEHYSA-N 1 2 412.469 1.646 20 0 HDADLO O=C(/C=C/C1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732917152 1075913449 /nfs/dbraw/zinc/91/34/49/1075913449.db2.gz ZTUOVJOTMZKNFA-WHLIDYPQSA-N 1 2 401.511 1.381 20 0 HDADLO O=C(/C=C/C1CCOCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732917152 1075913452 /nfs/dbraw/zinc/91/34/52/1075913452.db2.gz ZTUOVJOTMZKNFA-WHLIDYPQSA-N 1 2 401.511 1.381 20 0 HDADLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000732981668 1075936089 /nfs/dbraw/zinc/93/60/89/1075936089.db2.gz UPENBUJPXQWTAC-AWEZNQCLSA-N 1 2 420.535 1.871 20 0 HDADLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000732981668 1075936092 /nfs/dbraw/zinc/93/60/92/1075936092.db2.gz UPENBUJPXQWTAC-AWEZNQCLSA-N 1 2 420.535 1.871 20 0 HDADLO Cc1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1N1C(=O)CCC1=O ZINC000733049517 1075955467 /nfs/dbraw/zinc/95/54/67/1075955467.db2.gz UVURYVDIBVPFDV-UHFFFAOYSA-N 1 2 420.469 1.719 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000733041738 1075962781 /nfs/dbraw/zinc/96/27/81/1075962781.db2.gz GYSKWHZIPOKARB-UHFFFAOYSA-N 1 2 417.482 1.178 20 0 HDADLO CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079956132 1075979942 /nfs/dbraw/zinc/97/99/42/1075979942.db2.gz VSMSQXJFUFEXDJ-FZWBFHRNSA-N 1 2 400.523 1.953 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000733156686 1075989530 /nfs/dbraw/zinc/98/95/30/1075989530.db2.gz IKZCNRNOVPPDNN-IBGZPJMESA-N 1 2 422.476 1.861 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000733156686 1075989531 /nfs/dbraw/zinc/98/95/31/1075989531.db2.gz IKZCNRNOVPPDNN-IBGZPJMESA-N 1 2 422.476 1.861 20 0 HDADLO CO[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081962145 1076020797 /nfs/dbraw/zinc/02/07/97/1076020797.db2.gz XZVZXTRMPKWNAO-URLCPOCESA-N 1 2 405.539 1.018 20 0 HDADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081962145 1076020802 /nfs/dbraw/zinc/02/08/02/1076020802.db2.gz XZVZXTRMPKWNAO-URLCPOCESA-N 1 2 405.539 1.018 20 0 HDADLO Cc1cc(CN2CCN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)on1 ZINC000032491105 1076034778 /nfs/dbraw/zinc/03/47/78/1076034778.db2.gz AFTFOIXORQSRAI-UHFFFAOYSA-N 1 2 413.522 1.572 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000733293615 1076040593 /nfs/dbraw/zinc/04/05/93/1076040593.db2.gz QOLUHCKPAKRHIQ-KPZWWZAWSA-N 1 2 409.874 1.300 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000733293615 1076040600 /nfs/dbraw/zinc/04/06/00/1076040600.db2.gz QOLUHCKPAKRHIQ-KPZWWZAWSA-N 1 2 409.874 1.300 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O ZINC000733294323 1076041394 /nfs/dbraw/zinc/04/13/94/1076041394.db2.gz ATCDPDVIUTXXDP-LJQANCHMSA-N 1 2 408.524 1.033 20 0 HDADLO CCOc1ccccc1C[N@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000053102324 1076054388 /nfs/dbraw/zinc/05/43/88/1076054388.db2.gz TZCPHBLJWJTRRD-UHFFFAOYSA-N 1 2 404.555 1.576 20 0 HDADLO CCOc1ccccc1C[N@@H+](C)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000053102324 1076054395 /nfs/dbraw/zinc/05/43/95/1076054395.db2.gz TZCPHBLJWJTRRD-UHFFFAOYSA-N 1 2 404.555 1.576 20 0 HDADLO O=C(NCCCn1cc[nH+]c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000053510055 1076057659 /nfs/dbraw/zinc/05/76/59/1076057659.db2.gz FTWGDZJBQSORGX-UHFFFAOYSA-N 1 2 413.450 1.268 20 0 HDADLO NS(=O)(=O)c1ccc(CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000053502603 1076057806 /nfs/dbraw/zinc/05/78/06/1076057806.db2.gz XPDNKOWSUIZULI-UHFFFAOYSA-N 1 2 408.549 1.465 20 0 HDADLO NC(=O)CC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000727166863 1076066824 /nfs/dbraw/zinc/06/68/24/1076066824.db2.gz BDALCTANQNUWQG-HIGJEIRPSA-N 1 2 416.522 1.681 20 0 HDADLO NC(=O)CC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000727166863 1076066832 /nfs/dbraw/zinc/06/68/32/1076066832.db2.gz BDALCTANQNUWQG-HIGJEIRPSA-N 1 2 416.522 1.681 20 0 HDADLO C[N@H+](CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C(C1CC1)C1CC1 ZINC000727166067 1076067392 /nfs/dbraw/zinc/06/73/92/1076067392.db2.gz ROVWKJJHQFSRJO-HXUWFJFHSA-N 1 2 405.520 1.935 20 0 HDADLO C[N@@H+](CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C(C1CC1)C1CC1 ZINC000727166067 1076067400 /nfs/dbraw/zinc/06/74/00/1076067400.db2.gz ROVWKJJHQFSRJO-HXUWFJFHSA-N 1 2 405.520 1.935 20 0 HDADLO O=Cc1cccc(OCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000733597371 1076121657 /nfs/dbraw/zinc/12/16/57/1076121657.db2.gz NOLCIATWYRUSGY-UHFFFAOYSA-N 1 2 402.472 1.827 20 0 HDADLO Cc1occc1C(=O)NC1CC[NH+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 ZINC000727427120 1076127904 /nfs/dbraw/zinc/12/79/04/1076127904.db2.gz GCRXELKYCFJSHD-LJQANCHMSA-N 1 2 410.474 1.903 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000733848126 1076218424 /nfs/dbraw/zinc/21/84/24/1076218424.db2.gz UEMCJTSYRJSGJM-BBRMVZONSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000733848126 1076218428 /nfs/dbraw/zinc/21/84/28/1076218428.db2.gz UEMCJTSYRJSGJM-BBRMVZONSA-N 1 2 414.428 1.831 20 0 HDADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000727766966 1076220727 /nfs/dbraw/zinc/22/07/27/1076220727.db2.gz NHPPPQXYIGAYQR-UXHICEINSA-N 1 2 424.501 1.939 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000533829791 1076245229 /nfs/dbraw/zinc/24/52/29/1076245229.db2.gz FGKDATNNNSCIRC-SFHVURJKSA-N 1 2 401.488 1.473 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000533829791 1076245233 /nfs/dbraw/zinc/24/52/33/1076245233.db2.gz FGKDATNNNSCIRC-SFHVURJKSA-N 1 2 401.488 1.473 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000534531742 1076247953 /nfs/dbraw/zinc/24/79/53/1076247953.db2.gz YCRPRZIIPAPSEH-IBGZPJMESA-N 1 2 421.544 1.692 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000534531742 1076247960 /nfs/dbraw/zinc/24/79/60/1076247960.db2.gz YCRPRZIIPAPSEH-IBGZPJMESA-N 1 2 421.544 1.692 20 0 HDADLO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535276667 1076251390 /nfs/dbraw/zinc/25/13/90/1076251390.db2.gz KNDKNMIKTRZVLP-IBGZPJMESA-N 1 2 410.474 1.395 20 0 HDADLO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535276667 1076251393 /nfs/dbraw/zinc/25/13/93/1076251393.db2.gz KNDKNMIKTRZVLP-IBGZPJMESA-N 1 2 410.474 1.395 20 0 HDADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000535283862 1076252200 /nfs/dbraw/zinc/25/22/00/1076252200.db2.gz LBZNLGYYBZHGTA-UHFFFAOYSA-N 1 2 419.485 1.669 20 0 HDADLO CC(C)(C)/C=C/C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065701002 1076257281 /nfs/dbraw/zinc/25/72/81/1076257281.db2.gz WJAOLRIPFRUIAR-QWTWKUMMSA-N 1 2 401.551 1.757 20 0 HDADLO Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000144378095 1076258610 /nfs/dbraw/zinc/25/86/10/1076258610.db2.gz SDXBZSWWFLIWGE-OAHLLOKOSA-N 1 2 403.508 1.352 20 0 HDADLO COCCNC(=O)C1CC[NH+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)CC1 ZINC000727816547 1076261619 /nfs/dbraw/zinc/26/16/19/1076261619.db2.gz HLPVAOSREZQWQG-UHFFFAOYSA-N 1 2 408.543 1.555 20 0 HDADLO O=C(NCc1ccccc1)C1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000727816323 1076261942 /nfs/dbraw/zinc/26/19/42/1076261942.db2.gz MLMFSJHBWQMYPJ-UHFFFAOYSA-N 1 2 400.479 1.073 20 0 HDADLO Cc1ccc(C(=O)NC2CC[NH+](CN3C(=O)NC4(CCOCC4)C3=O)CC2)s1 ZINC000727823902 1076268329 /nfs/dbraw/zinc/26/83/29/1076268329.db2.gz ZAXPEQQLZSLERK-UHFFFAOYSA-N 1 2 406.508 1.309 20 0 HDADLO O=C(c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC(n2cc[nH+]c2)C1 ZINC000733982695 1076282096 /nfs/dbraw/zinc/28/20/96/1076282096.db2.gz FQQBWKSKNTWPPN-HNNXBMFYSA-N 1 2 424.910 1.691 20 0 HDADLO COc1ncc(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000734047333 1076298835 /nfs/dbraw/zinc/29/88/35/1076298835.db2.gz RRKKBOJXPVCRHJ-UHFFFAOYSA-N 1 2 414.466 1.213 20 0 HDADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000734074331 1076303098 /nfs/dbraw/zinc/30/30/98/1076303098.db2.gz RGRCHNQUPFTGHD-INIZCTEOSA-N 1 2 406.508 1.765 20 0 HDADLO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)no1 ZINC000022843425 1076303130 /nfs/dbraw/zinc/30/31/30/1076303130.db2.gz YWGYAKFMXCFAGC-INIZCTEOSA-N 1 2 408.886 1.632 20 0 HDADLO Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1F ZINC001083151814 1076317571 /nfs/dbraw/zinc/31/75/71/1076317571.db2.gz VHNXUDZUYAFGGN-SQEGATDGSA-N 1 2 404.482 1.597 20 0 HDADLO Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1F ZINC001083151814 1076317575 /nfs/dbraw/zinc/31/75/75/1076317575.db2.gz VHNXUDZUYAFGGN-SQEGATDGSA-N 1 2 404.482 1.597 20 0 HDADLO COc1ccccc1C[NH+]1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000728055633 1076322638 /nfs/dbraw/zinc/32/26/38/1076322638.db2.gz BBLRZUWUSFSMMF-UHFFFAOYSA-N 1 2 403.523 1.615 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000023467564 1076343655 /nfs/dbraw/zinc/34/36/55/1076343655.db2.gz AWDIYNVHDAINKU-UHFFFAOYSA-N 1 2 403.479 1.739 20 0 HDADLO O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025376571 1076351761 /nfs/dbraw/zinc/35/17/61/1076351761.db2.gz HKJAERQTKQNNCL-UHFFFAOYSA-N 1 2 400.479 1.712 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000027352323 1076359201 /nfs/dbraw/zinc/35/92/01/1076359201.db2.gz YNOKJIIKSOXMNT-UHFFFAOYSA-N 1 2 417.531 1.774 20 0 HDADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1 ZINC000027366235 1076359574 /nfs/dbraw/zinc/35/95/74/1076359574.db2.gz GTYMIOZTFMJTMM-OAHLLOKOSA-N 1 2 414.462 1.491 20 0 HDADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1 ZINC000027366235 1076359580 /nfs/dbraw/zinc/35/95/80/1076359580.db2.gz GTYMIOZTFMJTMM-OAHLLOKOSA-N 1 2 414.462 1.491 20 0 HDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030593955 1076370779 /nfs/dbraw/zinc/37/07/79/1076370779.db2.gz LBWKHJLAYNEJFF-DOTOQJQBSA-N 1 2 413.515 1.158 20 0 HDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030593955 1076370786 /nfs/dbraw/zinc/37/07/86/1076370786.db2.gz LBWKHJLAYNEJFF-DOTOQJQBSA-N 1 2 413.515 1.158 20 0 HDADLO CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2[nH]c1=S ZINC000730085999 1076440406 /nfs/dbraw/zinc/44/04/06/1076440406.db2.gz MQLKTIUAAMJVPG-DLBZAZTESA-N 1 2 402.520 1.376 20 0 HDADLO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730087675 1076441421 /nfs/dbraw/zinc/44/14/21/1076441421.db2.gz XEBXJJWOXOBRLS-DLBZAZTESA-N 1 2 402.520 1.133 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000730228144 1076486346 /nfs/dbraw/zinc/48/63/46/1076486346.db2.gz OYYVHZPKBLHNBR-GOSISDBHSA-N 1 2 402.539 1.787 20 0 HDADLO CCOC(=O)[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000730252075 1076497019 /nfs/dbraw/zinc/49/70/19/1076497019.db2.gz MAIGWVNEZDMZCE-IIBYNOLFSA-N 1 2 403.479 1.781 20 0 HDADLO CCOC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000730252075 1076497021 /nfs/dbraw/zinc/49/70/21/1076497021.db2.gz MAIGWVNEZDMZCE-IIBYNOLFSA-N 1 2 403.479 1.781 20 0 HDADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2)C1 ZINC000730528392 1076590442 /nfs/dbraw/zinc/59/04/42/1076590442.db2.gz MYPWPIQXKAVLOH-IYBDPMFKSA-N 1 2 408.506 1.866 20 0 HDADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2)C1 ZINC000730528392 1076590445 /nfs/dbraw/zinc/59/04/45/1076590445.db2.gz MYPWPIQXKAVLOH-IYBDPMFKSA-N 1 2 408.506 1.866 20 0 HDADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(OC(C)C)CC2)C1=O ZINC000730570573 1076606373 /nfs/dbraw/zinc/60/63/73/1076606373.db2.gz MZAGDUVHSDEXQW-NRFANRHFSA-N 1 2 402.495 1.764 20 0 HDADLO CCOC(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000730664330 1076633797 /nfs/dbraw/zinc/63/37/97/1076633797.db2.gz GALJIBCMOJJBSR-INIZCTEOSA-N 1 2 417.510 1.817 20 0 HDADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000730833524 1076673911 /nfs/dbraw/zinc/67/39/11/1076673911.db2.gz MSQNTEOTCZRUDA-DASIIQCKSA-N 1 2 420.469 1.475 20 0 HDADLO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nc(CS(C)(=O)=O)no1 ZINC001308118636 1126164131 /nfs/dbraw/zinc/16/41/31/1126164131.db2.gz UJOGBUXLSRYVGQ-HNNXBMFYSA-N 1 2 418.313 1.460 20 0 HDADLO CCOC(=O)c1nc2n(n1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164618155 719004472 /nfs/dbraw/zinc/00/44/72/719004472.db2.gz ZJDUXILJOOCZKH-UHFFFAOYSA-N 1 2 419.489 1.823 20 0 HDADLO CCOC(=O)c1nc2n(n1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164618155 719004477 /nfs/dbraw/zinc/00/44/77/719004477.db2.gz ZJDUXILJOOCZKH-UHFFFAOYSA-N 1 2 419.489 1.823 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@H](F)Oc3cccc(Cl)n3)CC2)C1=O ZINC001164639891 719273819 /nfs/dbraw/zinc/27/38/19/719273819.db2.gz LKXCAVWQODCMRK-KRWDZBQOSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@H](F)Oc3cccc(Cl)n3)CC2)C1=O ZINC001164639891 719273822 /nfs/dbraw/zinc/27/38/22/719273822.db2.gz LKXCAVWQODCMRK-KRWDZBQOSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)C1=O ZINC001164638178 719274163 /nfs/dbraw/zinc/27/41/63/719274163.db2.gz DLPFCRZXOJBROU-KRWDZBQOSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)C1=O ZINC001164638178 719274168 /nfs/dbraw/zinc/27/41/68/719274168.db2.gz DLPFCRZXOJBROU-KRWDZBQOSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)OC(C)(C)C)cn3)CC2)C1=O ZINC001164640020 719274304 /nfs/dbraw/zinc/27/43/04/719274304.db2.gz MXJGNUYXPNBCTK-UHFFFAOYSA-N 1 2 418.538 1.796 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)OC(C)(C)C)cn3)CC2)C1=O ZINC001164640020 719274307 /nfs/dbraw/zinc/27/43/07/719274307.db2.gz MXJGNUYXPNBCTK-UHFFFAOYSA-N 1 2 418.538 1.796 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(OC)c(NC(C)C)n1 ZINC001164698643 719837321 /nfs/dbraw/zinc/83/73/21/719837321.db2.gz GLDOASKSZIGEBI-QRWLVFNGSA-N 1 2 407.515 1.538 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2[nH]cc(F)c21 ZINC001164705266 719838932 /nfs/dbraw/zinc/83/89/32/719838932.db2.gz UPKDDEHTJCRBRS-ADLMAVQZSA-N 1 2 411.865 1.983 20 0 HDADLO COC(=O)c1cc(Cl)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164699885 719841218 /nfs/dbraw/zinc/84/12/18/719841218.db2.gz ISEWADNDLRXVBL-IFXJQAMLSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OC(C)C)nn1 ZINC001164699321 719845949 /nfs/dbraw/zinc/84/59/49/719845949.db2.gz HJVXNTULGPBAQE-FOIQADDNSA-N 1 2 406.483 1.275 20 0 HDADLO COC(=O)c1cc(OC)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703927 719848596 /nfs/dbraw/zinc/84/85/96/719848596.db2.gz RFYCNCHYVSTOQB-JLTOFOAXSA-N 1 2 407.467 1.110 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2c1C(=O)OC2(C)C ZINC001164706777 719850747 /nfs/dbraw/zinc/85/07/47/719850747.db2.gz YWDZLGFWADGWQN-SZNDQCEHSA-N 1 2 403.479 1.720 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cccc(OC)c2n1 ZINC001164702582 719856547 /nfs/dbraw/zinc/85/65/47/719856547.db2.gz OASWPYBKEIBROB-KKSFZXQISA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(OC)n1 ZINC001164700626 719858727 /nfs/dbraw/zinc/85/87/27/719858727.db2.gz IHXXDDFWRYAAGF-QVKFZJNVSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc2c1CNC2=O ZINC001164706915 719860209 /nfs/dbraw/zinc/86/02/09/719860209.db2.gz ZOKWITKIATWNAV-BLVKFPJESA-N 1 2 408.886 1.211 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(N2CCCCC2)n1 ZINC001164698764 719860983 /nfs/dbraw/zinc/86/09/83/719860983.db2.gz DNUCUZPIGVDUHK-UTKZUKDTSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(N2CCCCC2)n1 ZINC001164703185 719862525 /nfs/dbraw/zinc/86/25/25/719862525.db2.gz PJPAUYHIGHGSGN-DYESRHJHSA-N 1 2 403.527 1.700 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698411 719863206 /nfs/dbraw/zinc/86/32/06/719863206.db2.gz CAOOBDHLXNLCJN-IIBYNOLFSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C)no2)ccn1 ZINC001164706228 719870172 /nfs/dbraw/zinc/87/01/72/719870172.db2.gz PDDSNCUVRTZRFI-UZLBHIALSA-N 1 2 401.467 1.673 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(-c2cccc(F)c2)n1 ZINC001164701253 719871203 /nfs/dbraw/zinc/87/12/03/719871203.db2.gz GNBIKGJSQKAZGH-UTKZUKDTSA-N 1 2 415.469 1.910 20 0 HDADLO COc1ccc(Cl)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708873 719908787 /nfs/dbraw/zinc/90/87/87/719908787.db2.gz LJPKHXQWPQLBPX-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO Cc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ncc2c1 ZINC001164708370 719911066 /nfs/dbraw/zinc/91/10/66/719911066.db2.gz BARHJNSRPKKXCF-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO Cc1cc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2s1 ZINC001164708626 719919821 /nfs/dbraw/zinc/91/98/21/719919821.db2.gz NOTXNLGCHTWUNS-UHFFFAOYSA-N 1 2 411.535 1.684 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3ccccc31)C2 ZINC001164822154 720431324 /nfs/dbraw/zinc/43/13/24/720431324.db2.gz BTRSMLZPAKJLFK-KRWDZBQOSA-N 1 2 408.506 1.816 20 0 HDADLO CSc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822781 720435986 /nfs/dbraw/zinc/43/59/86/720435986.db2.gz HTDJPOBLBZKEHS-HNNXBMFYSA-N 1 2 404.540 1.385 20 0 HDADLO Cc1nnc(Cl)cc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164821957 720439374 /nfs/dbraw/zinc/43/93/74/720439374.db2.gz BGXLHNGLBMFLPM-HNNXBMFYSA-N 1 2 406.918 1.625 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc(-c3ccco3)cn1)C2 ZINC001164825642 720447079 /nfs/dbraw/zinc/44/70/79/720447079.db2.gz SZRVRHNJSWXTHT-QGZVFWFLSA-N 1 2 424.505 1.923 20 0 HDADLO COc1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164822362 720448592 /nfs/dbraw/zinc/44/85/92/720448592.db2.gz DDYQIYOWQOXTMJ-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO CC(=O)Nc1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825193 720451509 /nfs/dbraw/zinc/45/15/09/720451509.db2.gz QLSXNNAWLHKNAD-QGZVFWFLSA-N 1 2 414.510 1.226 20 0 HDADLO CCOc1nccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833037 720455688 /nfs/dbraw/zinc/45/56/88/720455688.db2.gz WXXKXGXDLOTACJ-INIZCTEOSA-N 1 2 402.499 1.061 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3cccnc3n1)C2 ZINC001164830723 720456173 /nfs/dbraw/zinc/45/61/73/720456173.db2.gz LJIMYUIMIKRSHY-KRWDZBQOSA-N 1 2 409.494 1.211 20 0 HDADLO CSc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832296 720459419 /nfs/dbraw/zinc/45/94/19/720459419.db2.gz SUNFKILLBYOHET-OAHLLOKOSA-N 1 2 404.540 1.385 20 0 HDADLO CCc1c(Cl)ncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831208 720474099 /nfs/dbraw/zinc/47/40/99/720474099.db2.gz NPQOYMRQJGHRBW-OAHLLOKOSA-N 1 2 420.945 1.879 20 0 HDADLO CSc1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831807 720475980 /nfs/dbraw/zinc/47/59/80/720475980.db2.gz RCGUBUOVTUUEBU-HNNXBMFYSA-N 1 2 404.540 1.385 20 0 HDADLO CC(C)Oc1nccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164834057 720476622 /nfs/dbraw/zinc/47/66/22/720476622.db2.gz RCBJIGRDCUXGNG-KRWDZBQOSA-N 1 2 416.526 1.450 20 0 HDADLO COc1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911955 721769075 /nfs/dbraw/zinc/76/90/75/721769075.db2.gz ISRGKNAYAUIGPU-LJQANCHMSA-N 1 2 405.886 1.641 20 0 HDADLO COc1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911955 721769077 /nfs/dbraw/zinc/76/90/77/721769077.db2.gz ISRGKNAYAUIGPU-LJQANCHMSA-N 1 2 405.886 1.641 20 0 HDADLO NC(=O)c1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912933 721771950 /nfs/dbraw/zinc/77/19/50/721771950.db2.gz SBTQHXNDLLUKQQ-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912933 721771951 /nfs/dbraw/zinc/77/19/51/721771951.db2.gz SBTQHXNDLLUKQQ-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164912368 721778761 /nfs/dbraw/zinc/77/87/61/721778761.db2.gz KZEUDMSYZAGULL-OAQYLSRUSA-N 1 2 416.453 1.510 20 0 HDADLO COC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164912368 721778769 /nfs/dbraw/zinc/77/87/69/721778769.db2.gz KZEUDMSYZAGULL-OAQYLSRUSA-N 1 2 416.453 1.510 20 0 HDADLO F[C@@H](Oc1cncc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914296 721799240 /nfs/dbraw/zinc/79/92/40/721799240.db2.gz LJMXCALZIJNPLK-MOPGFXCFSA-N 1 2 423.876 1.760 20 0 HDADLO F[C@@H](Oc1cncc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914296 721799244 /nfs/dbraw/zinc/79/92/44/721799244.db2.gz LJMXCALZIJNPLK-MOPGFXCFSA-N 1 2 423.876 1.760 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(Cl)nc(S(C)(=O)=O)n2)CC1 ZINC001164915946 721812148 /nfs/dbraw/zinc/81/21/48/721812148.db2.gz DXYBLNYRFLYBEF-UHFFFAOYSA-N 1 2 410.931 1.480 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963240 722054411 /nfs/dbraw/zinc/05/44/11/722054411.db2.gz JLXYXEOKBTZESV-UHFFFAOYSA-N 1 2 416.547 1.999 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963240 722054413 /nfs/dbraw/zinc/05/44/13/722054413.db2.gz JLXYXEOKBTZESV-UHFFFAOYSA-N 1 2 416.547 1.999 20 0 HDADLO CO[C@@H](CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)c1ccc(Cl)cc1 ZINC000509075321 1073469900 /nfs/dbraw/zinc/46/99/00/1073469900.db2.gz POTYTCZHZQXOFI-INIZCTEOSA-N 1 2 409.870 1.541 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000671396924 1073488351 /nfs/dbraw/zinc/48/83/51/1073488351.db2.gz VMSJBJWEGSPISA-OAQYLSRUSA-N 1 2 415.534 1.695 20 0 HDADLO C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)NCC[NH+]1Cc3ccccc3C1)C[C@@H](C)O2 ZINC000671399027 1073507154 /nfs/dbraw/zinc/50/71/54/1073507154.db2.gz QOAACGUCTGRXMN-DRSNIGMVSA-N 1 2 401.507 1.303 20 0 HDADLO CNC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001299282139 1073527471 /nfs/dbraw/zinc/52/74/71/1073527471.db2.gz BYPCCJYYNLCQLT-UHFFFAOYSA-N 1 2 414.558 1.837 20 0 HDADLO Cn1cc[nH+]c1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C2 ZINC001004688347 1073530597 /nfs/dbraw/zinc/53/05/97/1073530597.db2.gz SLRUAAMUHMZLJS-ZRSRNVLSSA-N 1 2 400.523 1.664 20 0 HDADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CS(=O)(=O)CCO2)c(C)c1 ZINC000509129532 1073679561 /nfs/dbraw/zinc/67/95/61/1073679561.db2.gz XJGALVLJZUJLCY-WMZOPIPTSA-N 1 2 406.508 1.354 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)Cc2ccccc2O1 ZINC000429121281 1073688792 /nfs/dbraw/zinc/68/87/92/1073688792.db2.gz FNOKSFVUYJJUHS-MRXNPFEDSA-N 1 2 421.505 1.295 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)Cc2ccccc2O1 ZINC000429121281 1073688795 /nfs/dbraw/zinc/68/87/95/1073688795.db2.gz FNOKSFVUYJJUHS-MRXNPFEDSA-N 1 2 421.505 1.295 20 0 HDADLO CCCCn1c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000509139812 1073705839 /nfs/dbraw/zinc/70/58/39/1073705839.db2.gz RAFXVEKHVLBCJJ-WBVHZDCISA-N 1 2 411.506 1.960 20 0 HDADLO CCCCn1c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000509139812 1073705845 /nfs/dbraw/zinc/70/58/45/1073705845.db2.gz RAFXVEKHVLBCJJ-WBVHZDCISA-N 1 2 411.506 1.960 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)NC(=O)Nc1ccc(OC)cc1)c1ccccn1 ZINC000509144094 1073716056 /nfs/dbraw/zinc/71/60/56/1073716056.db2.gz ZNXCOUXXYSRJEH-HXUWFJFHSA-N 1 2 400.435 1.806 20 0 HDADLO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781575 1073716678 /nfs/dbraw/zinc/71/66/78/1073716678.db2.gz AUMGCVOAKQMWKT-ZDUSSCGKSA-N 1 2 414.275 1.850 20 0 HDADLO CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000673781718 1073717183 /nfs/dbraw/zinc/71/71/83/1073717183.db2.gz FRPHYFWSJPCXGA-HNNXBMFYSA-N 1 2 408.886 1.560 20 0 HDADLO O=C(Nc1cccc(COCC2CC2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781711 1073717252 /nfs/dbraw/zinc/71/72/52/1073717252.db2.gz FPIJRIPLMNWSSS-HXUWFJFHSA-N 1 2 401.507 1.875 20 0 HDADLO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782354 1073718237 /nfs/dbraw/zinc/71/82/37/1073718237.db2.gz BOYJVKPLAQRVCQ-CYBMUJFWSA-N 1 2 414.275 1.850 20 0 HDADLO O=C(Nc1cccc(CN2CCCC2=O)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784269 1073724172 /nfs/dbraw/zinc/72/41/72/1073724172.db2.gz IIPKLJLBFBXGBG-IBGZPJMESA-N 1 2 414.506 1.071 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000673785554 1073726871 /nfs/dbraw/zinc/72/68/71/1073726871.db2.gz SUBMPZCIPUCDCC-KRWDZBQOSA-N 1 2 402.495 1.006 20 0 HDADLO CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673785485 1073727562 /nfs/dbraw/zinc/72/75/62/1073727562.db2.gz RMFGFQFWKWXOAF-GOSISDBHSA-N 1 2 402.495 1.543 20 0 HDADLO COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000673778698 1073733564 /nfs/dbraw/zinc/73/35/64/1073733564.db2.gz YIKYEHXJHYFBEL-IRXDYDNUSA-N 1 2 401.511 1.758 20 0 HDADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000673778689 1073733593 /nfs/dbraw/zinc/73/35/93/1073733593.db2.gz YIKYEHXJHYFBEL-DLBZAZTESA-N 1 2 401.511 1.758 20 0 HDADLO COc1ccc(C(=O)C2CC[NH+](CC(=O)NCCCN3CCCC3=O)CC2)cc1 ZINC000014327010 1073740634 /nfs/dbraw/zinc/74/06/34/1073740634.db2.gz FUYLFIUPYOWCIC-UHFFFAOYSA-N 1 2 401.507 1.719 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)[nH+]c12 ZINC000673786925 1073740750 /nfs/dbraw/zinc/74/07/50/1073740750.db2.gz LCMUFEGKMLZYGA-UHFFFAOYSA-N 1 2 400.460 1.344 20 0 HDADLO CC[C@@H](Sc1nc(CC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cs1)C(N)=O ZINC001128541975 1073742508 /nfs/dbraw/zinc/74/25/08/1073742508.db2.gz ZLTUBTXBVFCFPY-TZMCWYRMSA-N 1 2 400.570 1.221 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccccn1 ZINC000509150069 1073747766 /nfs/dbraw/zinc/74/77/66/1073747766.db2.gz FGEKWPKFVFATHG-IBGZPJMESA-N 1 2 423.466 1.631 20 0 HDADLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)C1=O ZINC000766032125 1073753489 /nfs/dbraw/zinc/75/34/89/1073753489.db2.gz OPJQTRLPLJDVTL-MGPUTAFESA-N 1 2 405.499 1.588 20 0 HDADLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)C1=O ZINC000766032125 1073753498 /nfs/dbraw/zinc/75/34/98/1073753498.db2.gz OPJQTRLPLJDVTL-MGPUTAFESA-N 1 2 405.499 1.588 20 0 HDADLO C[C@H]([NH2+]CC(=O)NCc1ccccc1Cn1cccn1)c1nnnn1-c1ccccc1 ZINC000543499345 1073851972 /nfs/dbraw/zinc/85/19/72/1073851972.db2.gz SDEMZLARAUDVSX-KRWDZBQOSA-N 1 2 416.489 1.874 20 0 HDADLO O=C1NCCCC[C@@H]1Oc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000766042147 1073906220 /nfs/dbraw/zinc/90/62/20/1073906220.db2.gz GDERCNXHKTUAJI-SFHVURJKSA-N 1 2 412.508 1.165 20 0 HDADLO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C(=O)N1CCC[C@H](O)C1 ZINC000670431473 1073926766 /nfs/dbraw/zinc/92/67/66/1073926766.db2.gz ZKGKJWOZLRBAHF-RBUKOAKNSA-N 1 2 413.543 1.947 20 0 HDADLO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C(=O)N1CCC[C@H](O)C1 ZINC000670431473 1073926769 /nfs/dbraw/zinc/92/67/69/1073926769.db2.gz ZKGKJWOZLRBAHF-RBUKOAKNSA-N 1 2 413.543 1.947 20 0 HDADLO OCCN(CC[NH+]1CCOCC1)Cc1cc2c(cc1Br)OCCO2 ZINC000484382639 1073959780 /nfs/dbraw/zinc/95/97/80/1073959780.db2.gz HRWRRWJDZSMONO-UHFFFAOYSA-N 1 2 401.301 1.347 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N[C@H](CC(C)C)C(=O)N=c3cc[nH][nH]3)c2)cc[nH+]1 ZINC000543523542 1073997374 /nfs/dbraw/zinc/99/73/74/1073997374.db2.gz PUZXSKVUNUEFKU-GOSISDBHSA-N 1 2 421.505 1.747 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccccc2N2C(=O)CCC2=O)c1C ZINC000543526460 1074005654 /nfs/dbraw/zinc/00/56/54/1074005654.db2.gz QFLZDIGISPDBIX-UHFFFAOYSA-N 1 2 424.457 1.958 20 0 HDADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466578641 1074010439 /nfs/dbraw/zinc/01/04/39/1074010439.db2.gz OAVFBMORNAFECF-HOTGVXAUSA-N 1 2 409.893 1.863 20 0 HDADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466578641 1074010447 /nfs/dbraw/zinc/01/04/47/1074010447.db2.gz OAVFBMORNAFECF-HOTGVXAUSA-N 1 2 409.893 1.863 20 0 HDADLO O=C(Nc1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543528228 1074013952 /nfs/dbraw/zinc/01/39/52/1074013952.db2.gz MJZJKUZXFPXVDB-UHFFFAOYSA-N 1 2 417.893 1.994 20 0 HDADLO C[C@@](CO)(CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)Cc1ccccc1 ZINC000484509029 1074024362 /nfs/dbraw/zinc/02/43/62/1074024362.db2.gz RAKUYVHSKWEKEF-NRFANRHFSA-N 1 2 401.511 1.578 20 0 HDADLO CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000509192294 1074027940 /nfs/dbraw/zinc/02/79/40/1074027940.db2.gz AQJLZEIGXUDPEE-LUQKVYGDSA-N 1 2 415.538 1.770 20 0 HDADLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N3CCC(C(N)=O)CC3)n2)c1 ZINC000543543460 1074050898 /nfs/dbraw/zinc/05/08/98/1074050898.db2.gz TVCHPHLNWMJJBT-OLZOCXBDSA-N 1 2 401.467 1.508 20 0 HDADLO O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000466601801 1074065736 /nfs/dbraw/zinc/06/57/36/1074065736.db2.gz OSJGEGUIKHKVOV-XRXFAXGQSA-N 1 2 412.534 1.650 20 0 HDADLO O=C(Cc1ccc2c[nH]nc2c1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001005080691 1074067215 /nfs/dbraw/zinc/06/72/15/1074067215.db2.gz AJVMWCRGHWJWNU-RDLFHWDQSA-N 1 2 404.474 1.880 20 0 HDADLO CCn1nc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C1CC1 ZINC000429197766 1074067971 /nfs/dbraw/zinc/06/79/71/1074067971.db2.gz LIIGQJILHHXHLQ-UHFFFAOYSA-N 1 2 411.510 2.036 20 0 HDADLO CC(C)(C)N1C[C@@H](NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000429199972 1074073339 /nfs/dbraw/zinc/07/33/39/1074073339.db2.gz VGLMNIDNJWXSOY-SFHVURJKSA-N 1 2 415.538 1.788 20 0 HDADLO Cn1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(-c2ccco2)n1 ZINC001626093455 1074074187 /nfs/dbraw/zinc/07/41/87/1074074187.db2.gz JZUFNYFPZOFRJL-UHFFFAOYSA-N 1 2 408.462 1.544 20 0 HDADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000543553067 1074079343 /nfs/dbraw/zinc/07/93/43/1074079343.db2.gz JOZDPDVVZRXEAK-GOSISDBHSA-N 1 2 401.507 1.360 20 0 HDADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000543553067 1074079351 /nfs/dbraw/zinc/07/93/51/1074079351.db2.gz JOZDPDVVZRXEAK-GOSISDBHSA-N 1 2 401.507 1.360 20 0 HDADLO CCC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCOCC1 ZINC000466607510 1074083814 /nfs/dbraw/zinc/08/38/14/1074083814.db2.gz BAKKPXPTNAHXKH-UHFFFAOYSA-N 1 2 418.542 1.352 20 0 HDADLO CCC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCOCC1 ZINC000466607510 1074083824 /nfs/dbraw/zinc/08/38/24/1074083824.db2.gz BAKKPXPTNAHXKH-UHFFFAOYSA-N 1 2 418.542 1.352 20 0 HDADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000543558550 1074090692 /nfs/dbraw/zinc/09/06/92/1074090692.db2.gz FLHPMDFCZGWXDK-INIZCTEOSA-N 1 2 410.921 1.140 20 0 HDADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000543558550 1074090699 /nfs/dbraw/zinc/09/06/99/1074090699.db2.gz FLHPMDFCZGWXDK-INIZCTEOSA-N 1 2 410.921 1.140 20 0 HDADLO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000543557032 1074094499 /nfs/dbraw/zinc/09/44/99/1074094499.db2.gz HTWOYUVTGYYBOK-UHFFFAOYSA-N 1 2 417.491 1.007 20 0 HDADLO C[NH+]1CCN(CCOc2ccc(NS(=O)(=O)c3cccc4c3OCO4)cc2)CC1 ZINC000509206400 1074110784 /nfs/dbraw/zinc/11/07/84/1074110784.db2.gz XOYVVBBNBVEVSJ-UHFFFAOYSA-N 1 2 419.503 1.842 20 0 HDADLO O=C(CN1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1)Nc1ccccc1 ZINC000164397797 1074114655 /nfs/dbraw/zinc/11/46/55/1074114655.db2.gz ZKUTYLGHGUIVOG-SFHVURJKSA-N 1 2 413.474 1.411 20 0 HDADLO O=C(CN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1)Nc1ccccc1 ZINC000164397922 1074114736 /nfs/dbraw/zinc/11/47/36/1074114736.db2.gz ZKUTYLGHGUIVOG-GOSISDBHSA-N 1 2 413.474 1.411 20 0 HDADLO CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000543580863 1074171216 /nfs/dbraw/zinc/17/12/16/1074171216.db2.gz UYUZLOYQGBPFRB-KLHKWILBSA-N 1 2 416.522 1.439 20 0 HDADLO COCCN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000674151184 1074199060 /nfs/dbraw/zinc/19/90/60/1074199060.db2.gz HGDJIHZDDRVABE-UHFFFAOYSA-N 1 2 403.527 1.721 20 0 HDADLO O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202976 1074217527 /nfs/dbraw/zinc/21/75/27/1074217527.db2.gz IDCPYQAIAYCTJX-OAHLLOKOSA-N 1 2 424.440 1.678 20 0 HDADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674203170 1074218559 /nfs/dbraw/zinc/21/85/59/1074218559.db2.gz JCUVGSQWEJZHFI-GFCCVEGCSA-N 1 2 410.883 1.742 20 0 HDADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674203819 1074218918 /nfs/dbraw/zinc/21/89/18/1074218918.db2.gz SFKJKYQPKMGGGQ-MRXNPFEDSA-N 1 2 420.491 1.105 20 0 HDADLO COCCNC(=O)C1CC[NH+](Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)CC1 ZINC000674249393 1074242784 /nfs/dbraw/zinc/24/27/84/1074242784.db2.gz SEZJJWBWTCFPPS-UHFFFAOYSA-N 1 2 419.551 1.495 20 0 HDADLO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000674261513 1074244088 /nfs/dbraw/zinc/24/40/88/1074244088.db2.gz ARIYVPVYPWQHCK-GOSISDBHSA-N 1 2 411.458 1.827 20 0 HDADLO CNC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000674261513 1074244098 /nfs/dbraw/zinc/24/40/98/1074244098.db2.gz ARIYVPVYPWQHCK-GOSISDBHSA-N 1 2 411.458 1.827 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000038431472 1074264643 /nfs/dbraw/zinc/26/46/43/1074264643.db2.gz JAWDNCJMLKITGT-LJQANCHMSA-N 1 2 417.531 1.568 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000038431472 1074264648 /nfs/dbraw/zinc/26/46/48/1074264648.db2.gz JAWDNCJMLKITGT-LJQANCHMSA-N 1 2 417.531 1.568 20 0 HDADLO COCCCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000674319838 1074281347 /nfs/dbraw/zinc/28/13/47/1074281347.db2.gz ABOQWBJITNKLPG-LJQANCHMSA-N 1 2 405.495 1.364 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000674367865 1074297214 /nfs/dbraw/zinc/29/72/14/1074297214.db2.gz AVBZBHHUZSLEHQ-IRXDYDNUSA-N 1 2 418.563 1.664 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000674427814 1074330556 /nfs/dbraw/zinc/33/05/56/1074330556.db2.gz RPBGHQIXEOVRSQ-XOBRGWDASA-N 1 2 400.483 1.070 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000674437555 1074336359 /nfs/dbraw/zinc/33/63/59/1074336359.db2.gz AXMMIVPDSZMFGK-AUUYWEPGSA-N 1 2 405.524 1.296 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)Cc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000674501740 1074397713 /nfs/dbraw/zinc/39/77/13/1074397713.db2.gz QBXVKAAMGQBFQO-HNNXBMFYSA-N 1 2 413.305 1.920 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)Cc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000674501740 1074397721 /nfs/dbraw/zinc/39/77/21/1074397721.db2.gz QBXVKAAMGQBFQO-HNNXBMFYSA-N 1 2 413.305 1.920 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)CCCOc3ccc(F)cc3)CCN2C1=O ZINC000674501747 1074397822 /nfs/dbraw/zinc/39/78/22/1074397822.db2.gz QHUMBTPDLZLAOP-QGZVFWFLSA-N 1 2 406.458 1.021 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)CCCOc3ccc(F)cc3)CCN2C1=O ZINC000674501747 1074397827 /nfs/dbraw/zinc/39/78/27/1074397827.db2.gz QHUMBTPDLZLAOP-QGZVFWFLSA-N 1 2 406.458 1.021 20 0 HDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000509229210 1074403619 /nfs/dbraw/zinc/40/36/19/1074403619.db2.gz ZRJJIIJZUITCLE-SRVWHDFXSA-N 1 2 407.474 1.525 20 0 HDADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc(C(F)(F)F)cs1 ZINC000674526463 1074418343 /nfs/dbraw/zinc/41/83/43/1074418343.db2.gz NPGCBJHEFPUCDD-RYUDHWBXSA-N 1 2 420.457 1.662 20 0 HDADLO CCn1nc2c(cc1=O)CN(C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)CC2 ZINC000674555230 1074437707 /nfs/dbraw/zinc/43/77/07/1074437707.db2.gz SWVIZNLELUFXSA-UHFFFAOYSA-N 1 2 424.505 1.241 20 0 HDADLO COC[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000674628375 1074493369 /nfs/dbraw/zinc/49/33/69/1074493369.db2.gz QXXUKPUMDURWSW-DLBZAZTESA-N 1 2 404.515 1.102 20 0 HDADLO COC[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000674628375 1074493376 /nfs/dbraw/zinc/49/33/76/1074493376.db2.gz QXXUKPUMDURWSW-DLBZAZTESA-N 1 2 404.515 1.102 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1C ZINC000674639121 1074498819 /nfs/dbraw/zinc/49/88/19/1074498819.db2.gz ORDZLYGQJAJHGZ-XOBRGWDASA-N 1 2 403.483 1.569 20 0 HDADLO CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC001033907245 1074500760 /nfs/dbraw/zinc/50/07/60/1074500760.db2.gz SARXYSZEEGQYGM-UWGWQUPMSA-N 1 2 401.511 1.013 20 0 HDADLO CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC001033907245 1074500763 /nfs/dbraw/zinc/50/07/63/1074500763.db2.gz SARXYSZEEGQYGM-UWGWQUPMSA-N 1 2 401.511 1.013 20 0 HDADLO CC(C)(CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000069099619 1074514271 /nfs/dbraw/zinc/51/42/71/1074514271.db2.gz HYQQTJNKSHDSBA-UHFFFAOYSA-N 1 2 423.457 1.211 20 0 HDADLO COc1ccc([C@H](CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)[NH+]2CCCCC2)cc1 ZINC000674682534 1074521863 /nfs/dbraw/zinc/52/18/63/1074521863.db2.gz NDWKZYRSFQNZOT-ICSRJNTNSA-N 1 2 423.579 1.457 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+](C)Cc3cn[nH]c3)CC2)cc1 ZINC000674752437 1074547429 /nfs/dbraw/zinc/54/74/29/1074547429.db2.gz UKZMPCZNFJHEGZ-MRXNPFEDSA-N 1 2 405.524 1.072 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+](C)Cc3cn[nH]c3)CC2)cc1 ZINC000674752437 1074547441 /nfs/dbraw/zinc/54/74/41/1074547441.db2.gz UKZMPCZNFJHEGZ-MRXNPFEDSA-N 1 2 405.524 1.072 20 0 HDADLO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000674819821 1074585154 /nfs/dbraw/zinc/58/51/54/1074585154.db2.gz DDVJKYMXDXNANK-VQTJNVASSA-N 1 2 414.550 1.424 20 0 HDADLO O=C(C[NH+]1CCC(NC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1)Nc1ccccc1 ZINC000674919212 1074621149 /nfs/dbraw/zinc/62/11/49/1074621149.db2.gz YFGGISLRNJFXTO-PMACEKPBSA-N 1 2 416.522 1.679 20 0 HDADLO Cc1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)nn1-c1ccc(F)cc1F ZINC000580741487 1074679225 /nfs/dbraw/zinc/67/92/25/1074679225.db2.gz XQDVUUKYRLNQCD-UHFFFAOYSA-N 1 2 402.405 2.143 20 0 HDADLO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)nn1-c1ccc(C)cc1 ZINC000435159884 1074680010 /nfs/dbraw/zinc/68/00/10/1074680010.db2.gz AXMNOYQUTCLDTG-UHFFFAOYSA-N 1 2 413.522 1.997 20 0 HDADLO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)nn1-c1ccc(C)cc1 ZINC000435159884 1074680012 /nfs/dbraw/zinc/68/00/12/1074680012.db2.gz AXMNOYQUTCLDTG-UHFFFAOYSA-N 1 2 413.522 1.997 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)N[C@H](Cc3[nH+]ccn3C)c3ccccc3)CCN2C1=O ZINC000675106299 1074721926 /nfs/dbraw/zinc/72/19/26/1074721926.db2.gz RIPMXEPGJYDHID-IAGOWNOFSA-N 1 2 410.478 1.382 20 0 HDADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000530660992 1074723155 /nfs/dbraw/zinc/72/31/55/1074723155.db2.gz BDOKPSJUKYLBQY-UHFFFAOYSA-N 1 2 401.858 1.711 20 0 HDADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1=O ZINC000675124683 1074725323 /nfs/dbraw/zinc/72/53/23/1074725323.db2.gz QODXEYHPIFZZCI-GOSISDBHSA-N 1 2 422.485 1.049 20 0 HDADLO CN(CCC1CCOCC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675126121 1074732416 /nfs/dbraw/zinc/73/24/16/1074732416.db2.gz JKSGMDWJHRKISS-UHFFFAOYSA-N 1 2 416.522 1.288 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)ccn2)CC1 ZINC000543613745 1074734004 /nfs/dbraw/zinc/73/40/04/1074734004.db2.gz KLTPDIZIEANZLD-NXHRZFHOSA-N 1 2 401.511 1.794 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)Nc3cccc([C@@H](C)[NH+]4CCOCC4)c3)CCN2C1=O ZINC000675140270 1074740236 /nfs/dbraw/zinc/74/02/36/1074740236.db2.gz ITYKNOSGLDRMMC-CRAIPNDOSA-N 1 2 415.494 1.580 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1nc2cc(Cl)ccn2n1 ZINC000584810658 1074740987 /nfs/dbraw/zinc/74/09/87/1074740987.db2.gz USAWHRLVWNBCKE-UHFFFAOYSA-N 1 2 417.876 2.466 20 0 HDADLO CC1(C)CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000441674245 1074745831 /nfs/dbraw/zinc/74/58/31/1074745831.db2.gz XUURPEGCZPOAPY-FGSXEWAUSA-N 1 2 417.554 2.417 20 0 HDADLO O=C(NCCNc1ccc(-c2ccccc2)nn1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569430193 1074747087 /nfs/dbraw/zinc/74/70/87/1074747087.db2.gz OUOVDRVDSMXOOK-UHFFFAOYSA-N 1 2 401.430 1.958 20 0 HDADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1C ZINC000675219069 1074760044 /nfs/dbraw/zinc/76/00/44/1074760044.db2.gz WDSWHMJXUNZEDV-SFHVURJKSA-N 1 2 409.552 1.572 20 0 HDADLO Cc1cc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)nn1-c1cccc(F)c1 ZINC000554007201 1074761671 /nfs/dbraw/zinc/76/16/71/1074761671.db2.gz VHNWBZJROCTVDK-UHFFFAOYSA-N 1 2 422.464 2.570 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@]2(C)CCCS2)CC1 ZINC000675210323 1074764269 /nfs/dbraw/zinc/76/42/69/1074764269.db2.gz AQKJEABSNNJOEG-FQEVSTJZSA-N 1 2 404.536 1.415 20 0 HDADLO O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438308682 1074774954 /nfs/dbraw/zinc/77/49/54/1074774954.db2.gz WEKSXCQOFGDHFH-UHFFFAOYSA-N 1 2 418.445 2.055 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000675285619 1074780309 /nfs/dbraw/zinc/78/03/09/1074780309.db2.gz UAEHJCBYLXKXIZ-UHFFFAOYSA-N 1 2 405.476 1.484 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000675285619 1074780313 /nfs/dbraw/zinc/78/03/13/1074780313.db2.gz UAEHJCBYLXKXIZ-UHFFFAOYSA-N 1 2 405.476 1.484 20 0 HDADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000675286003 1074780483 /nfs/dbraw/zinc/78/04/83/1074780483.db2.gz GTDZGYKWSJIQIT-UHFFFAOYSA-N 1 2 421.544 1.401 20 0 HDADLO CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000675281184 1074785190 /nfs/dbraw/zinc/78/51/90/1074785190.db2.gz PFEHZOCHDXQPGI-FXAWDEMLSA-N 1 2 403.523 1.773 20 0 HDADLO Cc1c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nnn1-c1cccc(Br)c1 ZINC000675280554 1074785510 /nfs/dbraw/zinc/78/55/10/1074785510.db2.gz ICZUHAWIUNRYLA-MRXNPFEDSA-N 1 2 420.311 1.885 20 0 HDADLO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000675296965 1074790854 /nfs/dbraw/zinc/79/08/54/1074790854.db2.gz PGWIDJLZYDKTMG-DOMZBBRYSA-N 1 2 417.416 1.316 20 0 HDADLO C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675313170 1074802059 /nfs/dbraw/zinc/80/20/59/1074802059.db2.gz CAHOIOMPTLMGMB-FGTMMUONSA-N 1 2 418.542 1.396 20 0 HDADLO C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675313170 1074802069 /nfs/dbraw/zinc/80/20/69/1074802069.db2.gz CAHOIOMPTLMGMB-FGTMMUONSA-N 1 2 418.542 1.396 20 0 HDADLO O=C(NCc1ccc(-n2ccnc2)c(F)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438318217 1074802839 /nfs/dbraw/zinc/80/28/39/1074802839.db2.gz CUBGTRGLGREULM-UHFFFAOYSA-N 1 2 413.457 1.862 20 0 HDADLO COc1cncc(S(=O)(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000509242329 1075093258 /nfs/dbraw/zinc/09/32/58/1075093258.db2.gz ZOYJDMWWZIBSEC-OAHLLOKOSA-N 1 2 404.492 1.588 20 0 HDADLO COc1cncc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000509242329 1075093261 /nfs/dbraw/zinc/09/32/61/1075093261.db2.gz ZOYJDMWWZIBSEC-OAHLLOKOSA-N 1 2 404.492 1.588 20 0 HDADLO O=C(Nc1ccccc1O[C@@H]1CCOC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675397086 1075125643 /nfs/dbraw/zinc/12/56/43/1075125643.db2.gz KJRBRDODRJTUOA-DLBZAZTESA-N 1 2 403.479 1.116 20 0 HDADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1)[NH+]1CCOCC1 ZINC000675396699 1075126010 /nfs/dbraw/zinc/12/60/10/1075126010.db2.gz JQAWYRCPHVMUBQ-IEBWSBKVSA-N 1 2 413.522 1.904 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000675423289 1075138791 /nfs/dbraw/zinc/13/87/91/1075138791.db2.gz BYAPKTLYKRWECX-IBGZPJMESA-N 1 2 411.506 1.082 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000543627703 1075153032 /nfs/dbraw/zinc/15/30/32/1075153032.db2.gz GHZIFICVLLPTPR-UHFFFAOYSA-N 1 2 417.959 1.318 20 0 HDADLO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000042384565 1075157274 /nfs/dbraw/zinc/15/72/74/1075157274.db2.gz JVQZXJPKDNRUJY-HNNXBMFYSA-N 1 2 410.921 1.676 20 0 HDADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000042384645 1075157586 /nfs/dbraw/zinc/15/75/86/1075157586.db2.gz MOQMWCUNESJHRO-LSDHHAIUSA-N 1 2 410.921 1.709 20 0 HDADLO C[C@@H](F)CC[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000509249139 1075163632 /nfs/dbraw/zinc/16/36/32/1075163632.db2.gz STJHHZVTMIFWQR-LLVKDONJSA-N 1 2 405.879 1.725 20 0 HDADLO COCCNC(=O)Cn1cc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cn1 ZINC000543588671 1075173304 /nfs/dbraw/zinc/17/33/04/1075173304.db2.gz PZIKQDFSHLWILU-UHFFFAOYSA-N 1 2 423.477 1.609 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCN(c2ccccc2F)C1 ZINC000432960755 1075188985 /nfs/dbraw/zinc/18/89/85/1075188985.db2.gz PQLROESUMJGBGC-MRXNPFEDSA-N 1 2 402.474 1.755 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000461111609 1075190259 /nfs/dbraw/zinc/19/02/59/1075190259.db2.gz QUDFRBSSDKXVMQ-UHFFFAOYSA-N 1 2 423.473 2.234 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675575424 1075209379 /nfs/dbraw/zinc/20/93/79/1075209379.db2.gz PZYOYSHINOGSRS-XLIONFOSSA-N 1 2 410.584 1.285 20 0 HDADLO Cn1c(C[N@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)cc(=O)n(C)c1=O ZINC000429362578 1075216830 /nfs/dbraw/zinc/21/68/30/1075216830.db2.gz HQHUWZHQOUDVHL-UHFFFAOYSA-N 1 2 406.486 1.422 20 0 HDADLO Cn1c(C[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)cc(=O)n(C)c1=O ZINC000429362578 1075216832 /nfs/dbraw/zinc/21/68/32/1075216832.db2.gz HQHUWZHQOUDVHL-UHFFFAOYSA-N 1 2 406.486 1.422 20 0 HDADLO CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438313059 1075217153 /nfs/dbraw/zinc/21/71/53/1075217153.db2.gz DBUNANIVMIGROK-UHFFFAOYSA-N 1 2 417.510 2.287 20 0 HDADLO Cc1ccc2[nH+]cc(CN3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)n2c1 ZINC000509354834 1075222862 /nfs/dbraw/zinc/22/28/62/1075222862.db2.gz AKTUWVWAZSAWEW-IAGOWNOFSA-N 1 2 407.540 1.114 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675593679 1075232253 /nfs/dbraw/zinc/23/22/53/1075232253.db2.gz SECSCWMBIXCMHL-XLIONFOSSA-N 1 2 411.506 1.734 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675593679 1075232260 /nfs/dbraw/zinc/23/22/60/1075232260.db2.gz SECSCWMBIXCMHL-XLIONFOSSA-N 1 2 411.506 1.734 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000426958150 1075248497 /nfs/dbraw/zinc/24/84/97/1075248497.db2.gz WVKZNEAPHXSTTO-PKOBYXMFSA-N 1 2 424.505 2.400 20 0 HDADLO COCCOCc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000675702088 1075256576 /nfs/dbraw/zinc/25/65/76/1075256576.db2.gz QXAKMHSRYBNAJH-VQTJNVASSA-N 1 2 419.522 1.548 20 0 HDADLO COCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675701868 1075257161 /nfs/dbraw/zinc/25/71/61/1075257161.db2.gz GHMNKHQEGNSNIW-AEFFLSMTSA-N 1 2 405.495 1.410 20 0 HDADLO CNC(=O)Cc1ccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000675736861 1075261620 /nfs/dbraw/zinc/26/16/20/1075261620.db2.gz JOOWGSMZCMVBSG-UHFFFAOYSA-N 1 2 409.490 1.438 20 0 HDADLO CCOC(=O)Cc1nnc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000501250247 1075270310 /nfs/dbraw/zinc/27/03/10/1075270310.db2.gz KMENMCAHKKPFNH-OAHLLOKOSA-N 1 2 419.507 1.666 20 0 HDADLO CCOC(=O)Cc1nnc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000501250247 1075270313 /nfs/dbraw/zinc/27/03/13/1075270313.db2.gz KMENMCAHKKPFNH-OAHLLOKOSA-N 1 2 419.507 1.666 20 0 HDADLO Cc1c([C@H]2[C@H](NC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)CC(=O)N2C)cnn1C ZINC000429382664 1075283063 /nfs/dbraw/zinc/28/30/63/1075283063.db2.gz JATNMLYXLPFMJJ-VPWXQRGCSA-N 1 2 413.526 1.398 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@@H](C)O1 ZINC000509370376 1075290482 /nfs/dbraw/zinc/29/04/82/1075290482.db2.gz GWBAHBNKHKSUKO-HZPDHXFCSA-N 1 2 420.535 1.412 20 0 HDADLO Cc1ccc(C)c(N2N=C(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CCC2=O)c1 ZINC000731334894 1075308187 /nfs/dbraw/zinc/30/81/87/1075308187.db2.gz BBIIDLBBNMLVJG-UHFFFAOYSA-N 1 2 424.505 1.954 20 0 HDADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731334868 1075308283 /nfs/dbraw/zinc/30/82/83/1075308283.db2.gz AJELUGXYISKJJN-UDCCBSLUSA-N 1 2 407.540 1.412 20 0 HDADLO CC(C)Cn1c(N)c(C(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c(=O)[nH]c1=O ZINC000675971310 1075312687 /nfs/dbraw/zinc/31/26/87/1075312687.db2.gz HMSBADPCSJZSKV-UHFFFAOYSA-N 1 2 401.467 1.377 20 0 HDADLO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731352687 1075316268 /nfs/dbraw/zinc/31/62/68/1075316268.db2.gz CFLJPAPSXPGOEV-AWEZNQCLSA-N 1 2 411.528 1.464 20 0 HDADLO c1cc(-c2nnc(N[C@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)s2)no1 ZINC000561187517 1075320217 /nfs/dbraw/zinc/32/02/17/1075320217.db2.gz YICYDMVYLFNKHG-ZDUSSCGKSA-N 1 2 414.495 1.901 20 0 HDADLO c1cc(-c2nnc(N[C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)s2)no1 ZINC000561187517 1075320221 /nfs/dbraw/zinc/32/02/21/1075320221.db2.gz YICYDMVYLFNKHG-ZDUSSCGKSA-N 1 2 414.495 1.901 20 0 HDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000676026185 1075328737 /nfs/dbraw/zinc/32/87/37/1075328737.db2.gz GWYLKMVSWZAMTH-VQTJNVASSA-N 1 2 416.566 1.885 20 0 HDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000676026185 1075328742 /nfs/dbraw/zinc/32/87/42/1075328742.db2.gz GWYLKMVSWZAMTH-VQTJNVASSA-N 1 2 416.566 1.885 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000804076339 1075336872 /nfs/dbraw/zinc/33/68/72/1075336872.db2.gz TYGGXQDZWHKBPK-ROUUACIJSA-N 1 2 404.417 1.416 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000804076339 1075336878 /nfs/dbraw/zinc/33/68/78/1075336878.db2.gz TYGGXQDZWHKBPK-ROUUACIJSA-N 1 2 404.417 1.416 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1ccc(F)c(F)c1 ZINC000804076338 1075337117 /nfs/dbraw/zinc/33/71/17/1075337117.db2.gz TYGGXQDZWHKBPK-QZTJIDSGSA-N 1 2 404.417 1.416 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1ccc(F)c(F)c1 ZINC000804076338 1075337124 /nfs/dbraw/zinc/33/71/24/1075337124.db2.gz TYGGXQDZWHKBPK-QZTJIDSGSA-N 1 2 404.417 1.416 20 0 HDADLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000676077088 1075344224 /nfs/dbraw/zinc/34/42/24/1075344224.db2.gz MUNQZEGANIMLMY-CQSZACIVSA-N 1 2 412.519 1.692 20 0 HDADLO CN(C)S(=O)(=O)CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000509382531 1075361963 /nfs/dbraw/zinc/36/19/63/1075361963.db2.gz AYDKSIDKNQERLT-UHFFFAOYSA-N 1 2 408.337 1.597 20 0 HDADLO O=C(NCc1ccc2c(c1)C(=O)NCC2)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000543657070 1075373019 /nfs/dbraw/zinc/37/30/19/1075373019.db2.gz RORZHBYKRHYYRK-FQEVSTJZSA-N 1 2 408.502 1.673 20 0 HDADLO O=C(NCc1ccc2c(c1)C(=O)NCC2)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000543657070 1075373024 /nfs/dbraw/zinc/37/30/24/1075373024.db2.gz RORZHBYKRHYYRK-FQEVSTJZSA-N 1 2 408.502 1.673 20 0 HDADLO COc1cccc(OCC[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451038 1075387489 /nfs/dbraw/zinc/38/74/89/1075387489.db2.gz ARZBKLWCRZKJGB-ZJKGHYPUSA-N 1 2 402.491 1.314 20 0 HDADLO COc1cccc(OCC[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451038 1075387495 /nfs/dbraw/zinc/38/74/95/1075387495.db2.gz ARZBKLWCRZKJGB-ZJKGHYPUSA-N 1 2 402.491 1.314 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000426933032 1075397120 /nfs/dbraw/zinc/39/71/20/1075397120.db2.gz JQZYCLHBEORUBY-APWZRJJASA-N 1 2 422.489 2.185 20 0 HDADLO CN(CCOC(C)(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000676152171 1075401559 /nfs/dbraw/zinc/40/15/59/1075401559.db2.gz BJHGULZETVFUFA-KRWDZBQOSA-N 1 2 420.558 1.739 20 0 HDADLO CN(CCOC(C)(C)C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000676152171 1075401561 /nfs/dbraw/zinc/40/15/61/1075401561.db2.gz BJHGULZETVFUFA-KRWDZBQOSA-N 1 2 420.558 1.739 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000731648243 1075427378 /nfs/dbraw/zinc/42/73/78/1075427378.db2.gz IRMQBKPVSITSDK-GOSISDBHSA-N 1 2 423.535 1.043 20 0 HDADLO C[C@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)(C)c1ccccc1 ZINC000804119353 1075431445 /nfs/dbraw/zinc/43/14/45/1075431445.db2.gz GAQKIJNRKNFNNI-INIZCTEOSA-N 1 2 423.579 1.094 20 0 HDADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccccc1F ZINC000731650165 1075431516 /nfs/dbraw/zinc/43/15/16/1075431516.db2.gz GNITVLLNVLJBDG-UHFFFAOYSA-N 1 2 408.499 1.559 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000731650102 1075432309 /nfs/dbraw/zinc/43/23/09/1075432309.db2.gz BDPOXFNOMGWCQC-GOSISDBHSA-N 1 2 421.563 1.164 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000731650972 1075434867 /nfs/dbraw/zinc/43/48/67/1075434867.db2.gz NZSQJUUFTLZWDW-UHFFFAOYSA-N 1 2 403.342 1.617 20 0 HDADLO CC(=O)CCc1ccc(OCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650812 1075434921 /nfs/dbraw/zinc/43/49/21/1075434921.db2.gz KDXNZYRNSLRODH-UHFFFAOYSA-N 1 2 410.536 1.212 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)CC1 ZINC000731650635 1075435393 /nfs/dbraw/zinc/43/53/93/1075435393.db2.gz KAJXAHKQEOKVEV-UHFFFAOYSA-N 1 2 408.549 1.400 20 0 HDADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2cnn(C(C)C)c2n1 ZINC000731650722 1075435805 /nfs/dbraw/zinc/43/58/05/1075435805.db2.gz HJMXBUCPYACHOF-UHFFFAOYSA-N 1 2 407.540 1.559 20 0 HDADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cn2c(-c3ccccn3)csc2=O)CC1 ZINC000731656837 1075440231 /nfs/dbraw/zinc/44/02/31/1075440231.db2.gz IVYWOOIIMDXKQS-QGZVFWFLSA-N 1 2 415.563 1.948 20 0 HDADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686470 1075446685 /nfs/dbraw/zinc/44/66/85/1075446685.db2.gz XCXXLYXSQQDEPY-UHFFFAOYSA-N 1 2 419.494 1.938 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000731685969 1075447560 /nfs/dbraw/zinc/44/75/60/1075447560.db2.gz FVWSGFZWHPBTJX-KRWDZBQOSA-N 1 2 413.515 1.848 20 0 HDADLO COc1ccc(Cl)cc1CN(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685892 1075448441 /nfs/dbraw/zinc/44/84/41/1075448441.db2.gz FHYFPADVSQORTK-UHFFFAOYSA-N 1 2 417.959 1.999 20 0 HDADLO CC(C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)N1CC[NH+](C)CC1 ZINC000731686841 1075450193 /nfs/dbraw/zinc/45/01/93/1075450193.db2.gz BWBNFEFIXAKMQW-GOSISDBHSA-N 1 2 401.486 1.373 20 0 HDADLO C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676257906 1075452106 /nfs/dbraw/zinc/45/21/06/1075452106.db2.gz NTKGWLYJJMEDLV-DNVCBOLYSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257906 1075452109 /nfs/dbraw/zinc/45/21/09/1075452109.db2.gz NTKGWLYJJMEDLV-DNVCBOLYSA-N 1 2 403.504 1.936 20 0 HDADLO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000731666765 1075454034 /nfs/dbraw/zinc/45/40/34/1075454034.db2.gz IZRHQJITJYTLMV-LJQANCHMSA-N 1 2 404.488 1.921 20 0 HDADLO NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000731666765 1075454036 /nfs/dbraw/zinc/45/40/36/1075454036.db2.gz IZRHQJITJYTLMV-LJQANCHMSA-N 1 2 404.488 1.921 20 0 HDADLO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)nnn1-c1cccc(Br)c1 ZINC000676260331 1075459244 /nfs/dbraw/zinc/45/92/44/1075459244.db2.gz IZJAIUGBBKKKQC-ABAIWWIYSA-N 1 2 408.300 1.787 20 0 HDADLO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nnn1-c1cccc(Br)c1 ZINC000676260331 1075459247 /nfs/dbraw/zinc/45/92/47/1075459247.db2.gz IZJAIUGBBKKKQC-ABAIWWIYSA-N 1 2 408.300 1.787 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCc2cccc3cccnc32)CC1 ZINC000731681188 1075463658 /nfs/dbraw/zinc/46/36/58/1075463658.db2.gz MHLBFCQCJDHZAC-UHFFFAOYSA-N 1 2 404.536 1.586 20 0 HDADLO COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683005 1075466476 /nfs/dbraw/zinc/46/64/76/1075466476.db2.gz VEHYRVHAOWHUSO-CYBMUJFWSA-N 1 2 401.504 1.704 20 0 HDADLO COc1cccc(C(C)(C)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000442207565 1075469320 /nfs/dbraw/zinc/46/93/20/1075469320.db2.gz JMVAQZPNLDEESO-UHFFFAOYSA-N 1 2 401.511 2.323 20 0 HDADLO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000509402433 1075497338 /nfs/dbraw/zinc/49/73/38/1075497338.db2.gz MOHDPUJGOXVTRA-UHFFFAOYSA-N 1 2 415.563 1.358 20 0 HDADLO O=S(=O)(CCNc1nnc(C(F)F)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000676306207 1075502994 /nfs/dbraw/zinc/50/29/94/1075502994.db2.gz HNGAFBYQDGEGKO-UHFFFAOYSA-N 1 2 404.468 1.435 20 0 HDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731750876 1075508301 /nfs/dbraw/zinc/50/83/01/1075508301.db2.gz SJYNEMROKWGBBY-WBVHZDCISA-N 1 2 418.494 1.805 20 0 HDADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731750876 1075508309 /nfs/dbraw/zinc/50/83/09/1075508309.db2.gz SJYNEMROKWGBBY-WBVHZDCISA-N 1 2 418.494 1.805 20 0 HDADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731752185 1075509018 /nfs/dbraw/zinc/50/90/18/1075509018.db2.gz VDMBACPCASRUDT-UHFFFAOYSA-N 1 2 417.553 1.029 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(N3CCCCC3=O)c2)CC1 ZINC000731753028 1075510031 /nfs/dbraw/zinc/51/00/31/1075510031.db2.gz UBCWQNHNLYLLIH-UHFFFAOYSA-N 1 2 422.551 1.834 20 0 HDADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(NC(N)=O)cc1 ZINC000731760994 1075515663 /nfs/dbraw/zinc/51/56/63/1075515663.db2.gz MCLJFXGFZWBJKO-CYBMUJFWSA-N 1 2 411.528 1.046 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000731761020 1075515677 /nfs/dbraw/zinc/51/56/77/1075515677.db2.gz NUFGQPVLOMHUMN-FQEVSTJZSA-N 1 2 423.579 1.886 20 0 HDADLO O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676342706 1075516316 /nfs/dbraw/zinc/51/63/16/1075516316.db2.gz SFYFDLZDJKSREL-GOSISDBHSA-N 1 2 407.536 1.408 20 0 HDADLO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676342299 1075516399 /nfs/dbraw/zinc/51/63/99/1075516399.db2.gz ZSTHBZXCXQWTGZ-HUUCEWRRSA-N 1 2 422.323 1.735 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3ccccc32)CC1 ZINC000731765083 1075518817 /nfs/dbraw/zinc/51/88/17/1075518817.db2.gz NJKJINHSZRCFKR-UHFFFAOYSA-N 1 2 403.504 1.404 20 0 HDADLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000731827095 1075525677 /nfs/dbraw/zinc/52/56/77/1075525677.db2.gz STIIHAGSJPLHPV-AWEZNQCLSA-N 1 2 415.943 1.263 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000676353642 1075529852 /nfs/dbraw/zinc/52/98/52/1075529852.db2.gz HHHLPKHRLKXKRT-UHFFFAOYSA-N 1 2 422.436 1.216 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCC(C)(C)CO)cc2)CC1 ZINC000676384680 1075533529 /nfs/dbraw/zinc/53/35/29/1075533529.db2.gz UADVKFSHVMJAFI-UHFFFAOYSA-N 1 2 420.554 1.090 20 0 HDADLO C[C@@H](Sc1ncccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCCC1 ZINC000676389884 1075535088 /nfs/dbraw/zinc/53/50/88/1075535088.db2.gz RQBOHWVXYMJBRO-SJORKVTESA-N 1 2 418.563 1.731 20 0 HDADLO O=C([C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676388625 1075535163 /nfs/dbraw/zinc/53/51/63/1075535163.db2.gz PYJCKZPLKHSLTE-LQWHRVPQSA-N 1 2 419.522 1.649 20 0 HDADLO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000676452328 1075557370 /nfs/dbraw/zinc/55/73/70/1075557370.db2.gz QOHBUZQGAZJPMW-GOSISDBHSA-N 1 2 411.506 1.751 20 0 HDADLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000052514579 1075564621 /nfs/dbraw/zinc/56/46/21/1075564621.db2.gz QHCWKDIFONXGBQ-AWEZNQCLSA-N 1 2 402.520 2.194 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2nc3ccccc3s2)[C@H](C)C1 ZINC000804162338 1075567282 /nfs/dbraw/zinc/56/72/82/1075567282.db2.gz HMERXTYLKZPLHE-KGLIPLIRSA-N 1 2 418.519 1.569 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2nc3ccccc3s2)[C@H](C)C1 ZINC000804162338 1075567286 /nfs/dbraw/zinc/56/72/86/1075567286.db2.gz HMERXTYLKZPLHE-KGLIPLIRSA-N 1 2 418.519 1.569 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H]([NH+]2CCC(c3ccnn3CCO)CC2)C1=O ZINC000466733880 1075569879 /nfs/dbraw/zinc/56/98/79/1075569879.db2.gz FCUGFZOLILZAHB-KRWDZBQOSA-N 1 2 418.519 1.708 20 0 HDADLO CC(C)c1ocnc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000731970542 1075579222 /nfs/dbraw/zinc/57/92/22/1075579222.db2.gz IEPBNISOLCZEHY-UHFFFAOYSA-N 1 2 407.496 1.075 20 0 HDADLO Cn1ccnc1[C@@](O)(CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C(F)(F)F ZINC000731967946 1075579311 /nfs/dbraw/zinc/57/93/11/1075579311.db2.gz BIYDWYDAWHPROM-GUYCJALGSA-N 1 2 414.432 1.671 20 0 HDADLO Cn1ccnc1[C@@](O)(CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C(F)(F)F ZINC000731967946 1075579317 /nfs/dbraw/zinc/57/93/17/1075579317.db2.gz BIYDWYDAWHPROM-GUYCJALGSA-N 1 2 414.432 1.671 20 0 HDADLO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000676554384 1075586809 /nfs/dbraw/zinc/58/68/09/1075586809.db2.gz KPSFRJOJQHHAHB-MOPGFXCFSA-N 1 2 412.494 1.025 20 0 HDADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676548178 1075594379 /nfs/dbraw/zinc/59/43/79/1075594379.db2.gz MUQKWBMEOFPOFQ-UHFFFAOYSA-N 1 2 401.430 1.767 20 0 HDADLO CC[C@H]1c2ccccc2CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000676550457 1075597004 /nfs/dbraw/zinc/59/70/04/1075597004.db2.gz FVTULRJXGBLUOI-IBGZPJMESA-N 1 2 411.506 1.690 20 0 HDADLO Cc1cc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC001129230378 1075598666 /nfs/dbraw/zinc/59/86/66/1075598666.db2.gz NRRGDZIQWCBETL-UHFFFAOYSA-N 1 2 418.457 1.807 20 0 HDADLO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000532693436 1075629557 /nfs/dbraw/zinc/62/95/57/1075629557.db2.gz ISXVBDXZLJUZMQ-ZDUSSCGKSA-N 1 2 402.478 1.693 20 0 HDADLO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000532693436 1075629561 /nfs/dbraw/zinc/62/95/61/1075629561.db2.gz ISXVBDXZLJUZMQ-ZDUSSCGKSA-N 1 2 402.478 1.693 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000732121394 1075629676 /nfs/dbraw/zinc/62/96/76/1075629676.db2.gz HFINKQRDMZCPMG-UHFFFAOYSA-N 1 2 415.531 1.697 20 0 HDADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000732127874 1075630586 /nfs/dbraw/zinc/63/05/86/1075630586.db2.gz QBDFRGNOXCOLJE-AWEZNQCLSA-N 1 2 415.943 1.575 20 0 HDADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000732127876 1075630664 /nfs/dbraw/zinc/63/06/64/1075630664.db2.gz QBDFRGNOXCOLJE-CQSZACIVSA-N 1 2 415.943 1.575 20 0 HDADLO COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1C ZINC000732128485 1075631373 /nfs/dbraw/zinc/63/13/73/1075631373.db2.gz YVRRIFBOPIFRAF-KRWDZBQOSA-N 1 2 407.511 1.762 20 0 HDADLO O=C(c1cccnc1)N1CCC(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000732128323 1075631504 /nfs/dbraw/zinc/63/15/04/1075631504.db2.gz XCGWKAHMHBWJPQ-HXUWFJFHSA-N 1 2 400.523 1.647 20 0 HDADLO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1C ZINC000509429784 1075647664 /nfs/dbraw/zinc/64/76/64/1075647664.db2.gz JEJINLZACXQGLD-KRWDZBQOSA-N 1 2 410.536 1.905 20 0 HDADLO CC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000676719236 1075655095 /nfs/dbraw/zinc/65/50/95/1075655095.db2.gz YUZGNZSQLAWOEG-HXUWFJFHSA-N 1 2 412.559 1.960 20 0 HDADLO C[C@H](NC(=O)CNC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1 ZINC000676717460 1075658674 /nfs/dbraw/zinc/65/86/74/1075658674.db2.gz KVBLPPNASQWGNX-KBXCAEBGSA-N 1 2 401.486 1.862 20 0 HDADLO C[C@H](NC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1 ZINC000676717460 1075658676 /nfs/dbraw/zinc/65/86/76/1075658676.db2.gz KVBLPPNASQWGNX-KBXCAEBGSA-N 1 2 401.486 1.862 20 0 HDADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000676716889 1075659200 /nfs/dbraw/zinc/65/92/00/1075659200.db2.gz FSJKSCHABXEPGX-HNNXBMFYSA-N 1 2 411.915 1.669 20 0 HDADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000676716889 1075659203 /nfs/dbraw/zinc/65/92/03/1075659203.db2.gz FSJKSCHABXEPGX-HNNXBMFYSA-N 1 2 411.915 1.669 20 0 HDADLO CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000676725915 1075661934 /nfs/dbraw/zinc/66/19/34/1075661934.db2.gz TVFLPPDYFGRRSQ-JSGCOSHPSA-N 1 2 401.558 1.530 20 0 HDADLO CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000676725915 1075661936 /nfs/dbraw/zinc/66/19/36/1075661936.db2.gz TVFLPPDYFGRRSQ-JSGCOSHPSA-N 1 2 401.558 1.530 20 0 HDADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCN2CCCS2(=O)=O)c(C)c1 ZINC000676725818 1075661942 /nfs/dbraw/zinc/66/19/42/1075661942.db2.gz ZKHJSKIIMWROKQ-IBGZPJMESA-N 1 2 419.551 1.966 20 0 HDADLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000732203852 1075675308 /nfs/dbraw/zinc/67/53/08/1075675308.db2.gz JXSWAYUJKYVSIO-UHFFFAOYSA-N 1 2 400.475 1.589 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732247464 1075679821 /nfs/dbraw/zinc/67/98/21/1075679821.db2.gz HOYKDIDZNGLHKG-HNNXBMFYSA-N 1 2 420.938 1.682 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732247464 1075679822 /nfs/dbraw/zinc/67/98/22/1075679822.db2.gz HOYKDIDZNGLHKG-HNNXBMFYSA-N 1 2 420.938 1.682 20 0 HDADLO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000732225766 1075682385 /nfs/dbraw/zinc/68/23/85/1075682385.db2.gz RWYYGZNRDSUDJB-LLVKDONJSA-N 1 2 410.309 1.121 20 0 HDADLO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000732225766 1075682390 /nfs/dbraw/zinc/68/23/90/1075682390.db2.gz RWYYGZNRDSUDJB-LLVKDONJSA-N 1 2 410.309 1.121 20 0 HDADLO COc1ccccc1N1CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000028901716 1075689632 /nfs/dbraw/zinc/68/96/32/1075689632.db2.gz CHJGMMGUQDFVNY-UHFFFAOYSA-N 1 2 410.518 1.721 20 0 HDADLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21 ZINC001084992492 1075697704 /nfs/dbraw/zinc/69/77/04/1075697704.db2.gz CPVYGHYZLODEFC-HQERQYKXSA-N 1 2 400.527 1.274 20 0 HDADLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21 ZINC001084992492 1075697710 /nfs/dbraw/zinc/69/77/10/1075697710.db2.gz CPVYGHYZLODEFC-HQERQYKXSA-N 1 2 400.527 1.274 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000490229461 1075703960 /nfs/dbraw/zinc/70/39/60/1075703960.db2.gz HBCSEAIVKXJPJL-QAPCUYQASA-N 1 2 406.437 1.816 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000490229461 1075703967 /nfs/dbraw/zinc/70/39/67/1075703967.db2.gz HBCSEAIVKXJPJL-QAPCUYQASA-N 1 2 406.437 1.816 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000490229462 1075704176 /nfs/dbraw/zinc/70/41/76/1075704176.db2.gz HBCSEAIVKXJPJL-YJBOKZPZSA-N 1 2 406.437 1.816 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000490229462 1075704183 /nfs/dbraw/zinc/70/41/83/1075704183.db2.gz HBCSEAIVKXJPJL-YJBOKZPZSA-N 1 2 406.437 1.816 20 0 HDADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCN(c4nc(N)ns4)CC3)cn2c1 ZINC000467845659 1075712270 /nfs/dbraw/zinc/71/22/70/1075712270.db2.gz FFUNIJBSWGHMCY-UHFFFAOYSA-N 1 2 403.537 1.658 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n1 ZINC000505839993 1075721050 /nfs/dbraw/zinc/72/10/50/1075721050.db2.gz VWUVHXGLAFRHCS-HNNXBMFYSA-N 1 2 405.510 1.845 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n1 ZINC000505839993 1075721056 /nfs/dbraw/zinc/72/10/56/1075721056.db2.gz VWUVHXGLAFRHCS-HNNXBMFYSA-N 1 2 405.510 1.845 20 0 HDADLO Nc1nc(NCc2ccccc2CS(=O)(=O)N2CCOCC2)[nH+]c2ccccc12 ZINC000535720969 1075721526 /nfs/dbraw/zinc/72/15/26/1075721526.db2.gz NHPIVQRCVCRRNT-UHFFFAOYSA-N 1 2 413.503 1.408 20 0 HDADLO Nc1nc(CN2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)nc2ccccc12 ZINC000477443111 1075728250 /nfs/dbraw/zinc/72/82/50/1075728250.db2.gz KONFCNIHIIWALL-FQEVSTJZSA-N 1 2 424.549 1.500 20 0 HDADLO Nc1nc(CN2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)nc2ccccc12 ZINC000477443111 1075728256 /nfs/dbraw/zinc/72/82/56/1075728256.db2.gz KONFCNIHIIWALL-FQEVSTJZSA-N 1 2 424.549 1.500 20 0 HDADLO O=C(NCc1ccc(-n2cncn2)nc1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732446696 1075747738 /nfs/dbraw/zinc/74/77/38/1075747738.db2.gz VGACSHUEYORYME-FQEVSTJZSA-N 1 2 421.505 1.405 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000732463822 1075751810 /nfs/dbraw/zinc/75/18/10/1075751810.db2.gz RZEKRIPJTPXZAU-CQSZACIVSA-N 1 2 420.576 1.050 20 0 HDADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1=O ZINC000429479432 1075766535 /nfs/dbraw/zinc/76/65/35/1075766535.db2.gz WZVCWEDXZFSXKQ-LMCOJAPRSA-N 1 2 400.523 1.238 20 0 HDADLO Nc1nsc(N2CCN(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)CC2)n1 ZINC000426244794 1075768158 /nfs/dbraw/zinc/76/81/58/1075768158.db2.gz JXKKEGIZMNMUKZ-UHFFFAOYSA-N 1 2 412.523 1.439 20 0 HDADLO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000142143111 1075774865 /nfs/dbraw/zinc/77/48/65/1075774865.db2.gz BYLJBBAYMRNBNM-LJQANCHMSA-N 1 2 418.538 1.580 20 0 HDADLO CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000439153910 1075790114 /nfs/dbraw/zinc/79/01/14/1075790114.db2.gz GNBTZACXJAUQRZ-SJORKVTESA-N 1 2 407.478 2.213 20 0 HDADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817286 1075795182 /nfs/dbraw/zinc/79/51/82/1075795182.db2.gz CLZKXNVJYDBCNN-RDJZCZTQSA-N 1 2 400.870 2.576 20 0 HDADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817286 1075795185 /nfs/dbraw/zinc/79/51/85/1075795185.db2.gz CLZKXNVJYDBCNN-RDJZCZTQSA-N 1 2 400.870 2.576 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000499181523 1075796266 /nfs/dbraw/zinc/79/62/66/1075796266.db2.gz PDPVWWFMTFXXOW-AEFFLSMTSA-N 1 2 403.433 1.998 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000499181523 1075796268 /nfs/dbraw/zinc/79/62/68/1075796268.db2.gz PDPVWWFMTFXXOW-AEFFLSMTSA-N 1 2 403.433 1.998 20 0 HDADLO CC(C)CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)(C)C ZINC000446773356 1075808030 /nfs/dbraw/zinc/80/80/30/1075808030.db2.gz CBBRMUPFJYJWGZ-KRWDZBQOSA-N 1 2 407.559 2.121 20 0 HDADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@@H]4CCC(=O)N4C)CC3)n2)cc1 ZINC000488683840 1075809922 /nfs/dbraw/zinc/80/99/22/1075809922.db2.gz ODHUJYQTKAWDPQ-SFHVURJKSA-N 1 2 411.506 1.743 20 0 HDADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000488723239 1075811790 /nfs/dbraw/zinc/81/17/90/1075811790.db2.gz QIWYDXLSJJVNOC-IBGZPJMESA-N 1 2 419.503 1.906 20 0 HDADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000488723239 1075811793 /nfs/dbraw/zinc/81/17/93/1075811793.db2.gz QIWYDXLSJJVNOC-IBGZPJMESA-N 1 2 419.503 1.906 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1csc(-c2ccccn2)n1 ZINC000543605486 1075830495 /nfs/dbraw/zinc/83/04/95/1075830495.db2.gz PPQPXZWUSOHTII-INIZCTEOSA-N 1 2 415.519 1.857 20 0 HDADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000611165273 1075864866 /nfs/dbraw/zinc/86/48/66/1075864866.db2.gz PWVOWAOMKUMAMR-JKSUJKDBSA-N 1 2 406.870 1.718 20 0 HDADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000611165273 1075864871 /nfs/dbraw/zinc/86/48/71/1075864871.db2.gz PWVOWAOMKUMAMR-JKSUJKDBSA-N 1 2 406.870 1.718 20 0 HDADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809502 1075870484 /nfs/dbraw/zinc/87/04/84/1075870484.db2.gz FHYNAAUTMCTCSL-RDBSUJKOSA-N 1 2 415.412 1.426 20 0 HDADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809502 1075870492 /nfs/dbraw/zinc/87/04/92/1075870492.db2.gz FHYNAAUTMCTCSL-RDBSUJKOSA-N 1 2 415.412 1.426 20 0 HDADLO O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000732809220 1075870664 /nfs/dbraw/zinc/87/06/64/1075870664.db2.gz SCDFFIWLYRBKTJ-HXUWFJFHSA-N 1 2 400.523 1.939 20 0 HDADLO O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000732809220 1075870666 /nfs/dbraw/zinc/87/06/66/1075870666.db2.gz SCDFFIWLYRBKTJ-HXUWFJFHSA-N 1 2 400.523 1.939 20 0 HDADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000732808888 1075871123 /nfs/dbraw/zinc/87/11/23/1075871123.db2.gz OHAYKITYIMHEPI-LJQANCHMSA-N 1 2 400.523 1.869 20 0 HDADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000732808888 1075871129 /nfs/dbraw/zinc/87/11/29/1075871129.db2.gz OHAYKITYIMHEPI-LJQANCHMSA-N 1 2 400.523 1.869 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1S(N)(=O)=O ZINC000732813341 1075873961 /nfs/dbraw/zinc/87/39/61/1075873961.db2.gz VWSDJKOLJWGGNS-INIZCTEOSA-N 1 2 408.524 1.058 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1S(N)(=O)=O ZINC000732813341 1075873966 /nfs/dbraw/zinc/87/39/66/1075873966.db2.gz VWSDJKOLJWGGNS-INIZCTEOSA-N 1 2 408.524 1.058 20 0 HDADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732813068 1075874621 /nfs/dbraw/zinc/87/46/21/1075874621.db2.gz UBXPAYKBLGGISV-ZBFHGGJFSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732813068 1075874631 /nfs/dbraw/zinc/87/46/31/1075874631.db2.gz UBXPAYKBLGGISV-ZBFHGGJFSA-N 1 2 408.524 1.138 20 0 HDADLO COC(=O)C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000611340687 1075906957 /nfs/dbraw/zinc/90/69/57/1075906957.db2.gz GVYVZQPWXRLXCC-KRWDZBQOSA-N 1 2 402.495 1.455 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cccnc1Cl ZINC000732915407 1075911576 /nfs/dbraw/zinc/91/15/76/1075911576.db2.gz HDYRDDMMPLEGDM-CQSZACIVSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccnc1Cl ZINC000732915407 1075911582 /nfs/dbraw/zinc/91/15/82/1075911582.db2.gz HDYRDDMMPLEGDM-CQSZACIVSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(CSC(F)(F)F)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915444 1075911646 /nfs/dbraw/zinc/91/16/46/1075911646.db2.gz IITABGOWENEEOJ-GFCCVEGCSA-N 1 2 405.446 1.651 20 0 HDADLO O=C(CSC(F)(F)F)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915444 1075911648 /nfs/dbraw/zinc/91/16/48/1075911648.db2.gz IITABGOWENEEOJ-GFCCVEGCSA-N 1 2 405.446 1.651 20 0 HDADLO O=C(/C=C/c1cncc(F)c1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916693 1075912975 /nfs/dbraw/zinc/91/29/75/1075912975.db2.gz SFLHIIGZQVDNMP-WHLIDYPQSA-N 1 2 412.469 1.646 20 0 HDADLO O=C(/C=C/c1cncc(F)c1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916693 1075912978 /nfs/dbraw/zinc/91/29/78/1075912978.db2.gz SFLHIIGZQVDNMP-WHLIDYPQSA-N 1 2 412.469 1.646 20 0 HDADLO O=C(Nc1nc(-c2ccc(F)cc2)ns1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000732972588 1075929758 /nfs/dbraw/zinc/92/97/58/1075929758.db2.gz UWIPRJFCLZRKNS-CQSZACIVSA-N 1 2 419.482 1.463 20 0 HDADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000611540803 1075955099 /nfs/dbraw/zinc/95/50/99/1075955099.db2.gz ZIPOMCJYJFGDQW-CVEARBPZSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)C1(c2ccc(S(=O)(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000611540808 1075955482 /nfs/dbraw/zinc/95/54/82/1075955482.db2.gz ZKIQEHIHYMPVRD-QZTJIDSGSA-N 1 2 408.520 1.111 20 0 HDADLO O=C(NCCCNc1cccc[nH+]1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733037461 1075961164 /nfs/dbraw/zinc/96/11/64/1075961164.db2.gz AEXSCFLFHNHNLS-UHFFFAOYSA-N 1 2 405.471 1.447 20 0 HDADLO Cn1nccc1C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079139465 1075964761 /nfs/dbraw/zinc/96/47/61/1075964761.db2.gz VMHAWGBPBJUYQP-VYKPCIFISA-N 1 2 422.529 1.417 20 0 HDADLO Cn1nccc1C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079139465 1075964762 /nfs/dbraw/zinc/96/47/62/1075964762.db2.gz VMHAWGBPBJUYQP-VYKPCIFISA-N 1 2 422.529 1.417 20 0 HDADLO C[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180597 1075985197 /nfs/dbraw/zinc/98/51/97/1075985197.db2.gz RRQIHCFBAQYHDM-ARALAYPOSA-N 1 2 401.463 1.923 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180597 1075985199 /nfs/dbraw/zinc/98/51/99/1075985199.db2.gz RRQIHCFBAQYHDM-ARALAYPOSA-N 1 2 401.463 1.923 20 0 HDADLO C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000508975561 1075986324 /nfs/dbraw/zinc/98/63/24/1075986324.db2.gz GTZFJECBBODUEI-XLIONFOSSA-N 1 2 411.506 1.764 20 0 HDADLO COc1cc(Br)c(CN(CCO)CC[NH+]2CCOCC2)cc1OC ZINC000510161053 1075989907 /nfs/dbraw/zinc/98/99/07/1075989907.db2.gz TUCPQSKBOBRGSE-UHFFFAOYSA-N 1 2 403.317 1.593 20 0 HDADLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733195201 1076001976 /nfs/dbraw/zinc/00/19/76/1076001976.db2.gz GYMJBMIFHIFIMD-CALCHBBNSA-N 1 2 412.575 1.543 20 0 HDADLO CNc1cc(N2CCC[C@H]2CNC(=O)c2nnn(Cc3cc(C)on3)c2C)nc[nH+]1 ZINC000513623972 1076006196 /nfs/dbraw/zinc/00/61/96/1076006196.db2.gz HVERYPVKGKTTQH-HNNXBMFYSA-N 1 2 411.470 1.162 20 0 HDADLO CNc1cc(N2CCC[C@H]2CNC(=O)c2nnn(Cc3cc(C)on3)c2C)[nH+]cn1 ZINC000513623972 1076006202 /nfs/dbraw/zinc/00/62/02/1076006202.db2.gz HVERYPVKGKTTQH-HNNXBMFYSA-N 1 2 411.470 1.162 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)C2)no1 ZINC000514230169 1076018842 /nfs/dbraw/zinc/01/88/42/1076018842.db2.gz WQMVHQURXBRSKM-HOTGVXAUSA-N 1 2 415.498 1.011 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)no1 ZINC000514230169 1076018844 /nfs/dbraw/zinc/01/88/44/1076018844.db2.gz WQMVHQURXBRSKM-HOTGVXAUSA-N 1 2 415.498 1.011 20 0 HDADLO CO[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959678 1076019988 /nfs/dbraw/zinc/01/99/88/1076019988.db2.gz SEFBQQQNBYDJKF-DRTOOAOUSA-N 1 2 417.550 1.159 20 0 HDADLO CO[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959678 1076019997 /nfs/dbraw/zinc/01/99/97/1076019997.db2.gz SEFBQQQNBYDJKF-DRTOOAOUSA-N 1 2 417.550 1.159 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O ZINC000733294322 1076041331 /nfs/dbraw/zinc/04/13/31/1076041331.db2.gz ATCDPDVIUTXXDP-IBGZPJMESA-N 1 2 408.524 1.033 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000727158253 1076071562 /nfs/dbraw/zinc/07/15/62/1076071562.db2.gz JWGAIBIMOMAMAB-YWZLYKJASA-N 1 2 414.506 1.835 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000727158253 1076071567 /nfs/dbraw/zinc/07/15/67/1076071567.db2.gz JWGAIBIMOMAMAB-YWZLYKJASA-N 1 2 414.506 1.835 20 0 HDADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)C1=O ZINC000727266447 1076090115 /nfs/dbraw/zinc/09/01/15/1076090115.db2.gz ZLTOEQNDTDOTFO-JOCHJYFZSA-N 1 2 424.457 1.736 20 0 HDADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)C1=O ZINC000727266447 1076090122 /nfs/dbraw/zinc/09/01/22/1076090122.db2.gz ZLTOEQNDTDOTFO-JOCHJYFZSA-N 1 2 424.457 1.736 20 0 HDADLO C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)CC[NH+]4CCOCC4)CC3)cc2NC1=O ZINC000727390395 1076110757 /nfs/dbraw/zinc/11/07/57/1076110757.db2.gz VFKKVRHGCUYNKZ-HNNXBMFYSA-N 1 2 415.490 1.550 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](C(=O)OC)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000727435432 1076119616 /nfs/dbraw/zinc/11/96/16/1076119616.db2.gz VXNYCLCWWHZFOQ-YJBOKZPZSA-N 1 2 401.463 1.743 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCC[C@H](C(=O)OC)C2)=NC(=O)N[C@H]1c1ccccc1 ZINC000727435432 1076119621 /nfs/dbraw/zinc/11/96/21/1076119621.db2.gz VXNYCLCWWHZFOQ-YJBOKZPZSA-N 1 2 401.463 1.743 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OC)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000727435432 1076119629 /nfs/dbraw/zinc/11/96/29/1076119629.db2.gz VXNYCLCWWHZFOQ-YJBOKZPZSA-N 1 2 401.463 1.743 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OC)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000727435432 1076119636 /nfs/dbraw/zinc/11/96/36/1076119636.db2.gz VXNYCLCWWHZFOQ-YJBOKZPZSA-N 1 2 401.463 1.743 20 0 HDADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000727444944 1076123615 /nfs/dbraw/zinc/12/36/15/1076123615.db2.gz BAYZHRQYYYZEQU-FLIBITNWSA-N 1 2 416.341 1.550 20 0 HDADLO O=C(C[NH+]1CCN(Cn2nc(-c3ccccc3F)ccc2=O)CC1)N1CCCCC1 ZINC000727418716 1076125321 /nfs/dbraw/zinc/12/53/21/1076125321.db2.gz KOHNEQLMIOZBTI-UHFFFAOYSA-N 1 2 413.497 1.637 20 0 HDADLO COc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc(OC)c1OCC(N)=O ZINC000727495094 1076138012 /nfs/dbraw/zinc/13/80/12/1076138012.db2.gz DQVAVSNRSIVYDZ-MRXNPFEDSA-N 1 2 404.467 1.609 20 0 HDADLO O=C(COC(=O)c1ccc2c(c1)NC(=O)CN2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000727523835 1076147288 /nfs/dbraw/zinc/14/72/88/1076147288.db2.gz HYCBUPYRCQUSDI-UHFFFAOYSA-N 1 2 424.457 1.678 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1ccc(I)o1 ZINC000751428751 1076186997 /nfs/dbraw/zinc/18/69/97/1076186997.db2.gz AZGDHUMNTSPFKX-OGOUPESXSA-N 1 2 420.247 1.049 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](Cc3ccco3)C(C)C)C2=O)c1 ZINC000733793952 1076214637 /nfs/dbraw/zinc/21/46/37/1076214637.db2.gz HTOJINALMVAICM-NRFANRHFSA-N 1 2 414.462 1.997 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](Cc3ccco3)C(C)C)C2=O)c1 ZINC000733793952 1076214641 /nfs/dbraw/zinc/21/46/41/1076214641.db2.gz HTOJINALMVAICM-NRFANRHFSA-N 1 2 414.462 1.997 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000727739557 1076214926 /nfs/dbraw/zinc/21/49/26/1076214926.db2.gz YKIVCDCWYUWJFE-SZNDQCEHSA-N 1 2 411.462 1.592 20 0 HDADLO O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727739480 1076215346 /nfs/dbraw/zinc/21/53/46/1076215346.db2.gz WFXLHWFRQMAQJF-CYBMUJFWSA-N 1 2 400.460 1.736 20 0 HDADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000533358314 1076243119 /nfs/dbraw/zinc/24/31/19/1076243119.db2.gz ZABAZRVBXZHVBP-QWFCFKBJSA-N 1 2 415.538 1.324 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000535266668 1076250474 /nfs/dbraw/zinc/25/04/74/1076250474.db2.gz VEZWGYSOBXEAFE-LJQANCHMSA-N 1 2 421.544 1.592 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000535266668 1076250477 /nfs/dbraw/zinc/25/04/77/1076250477.db2.gz VEZWGYSOBXEAFE-LJQANCHMSA-N 1 2 421.544 1.592 20 0 HDADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535275898 1076251436 /nfs/dbraw/zinc/25/14/36/1076251436.db2.gz HTWHOVNHIVCNIN-IBGZPJMESA-N 1 2 410.474 1.395 20 0 HDADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535275898 1076251440 /nfs/dbraw/zinc/25/14/40/1076251440.db2.gz HTWHOVNHIVCNIN-IBGZPJMESA-N 1 2 410.474 1.395 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000535278240 1076251872 /nfs/dbraw/zinc/25/18/72/1076251872.db2.gz QXOCCRQVSMCZAR-LJQANCHMSA-N 1 2 420.469 1.577 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000535278240 1076251878 /nfs/dbraw/zinc/25/18/78/1076251878.db2.gz QXOCCRQVSMCZAR-LJQANCHMSA-N 1 2 420.469 1.577 20 0 HDADLO COc1cc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc(OC)c1OC ZINC000785486211 1076252271 /nfs/dbraw/zinc/25/22/71/1076252271.db2.gz UYIYPSOYZWJRQG-HNNXBMFYSA-N 1 2 416.478 1.468 20 0 HDADLO Cc1cc(C(=O)NC2CC[NH+](CN3C(=O)NC4(CCOCC4)C3=O)CC2)c(C)o1 ZINC000727823188 1076267968 /nfs/dbraw/zinc/26/79/68/1076267968.db2.gz RQEPQYZUHNSICU-UHFFFAOYSA-N 1 2 404.467 1.149 20 0 HDADLO COCCN(CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(=O)OC(C)(C)C ZINC000733951430 1076273222 /nfs/dbraw/zinc/27/32/22/1076273222.db2.gz GJCRFFSBVSFAPZ-IBGZPJMESA-N 1 2 417.572 1.194 20 0 HDADLO CN(CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000727865235 1076275442 /nfs/dbraw/zinc/27/54/42/1076275442.db2.gz GMMMVPRZAZKJKX-UHFFFAOYSA-N 1 2 405.499 1.103 20 0 HDADLO CN(C(=O)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1)C1CCCCC1 ZINC001083148908 1076307714 /nfs/dbraw/zinc/30/77/14/1076307714.db2.gz MVYWKNRCBYNTOG-VZZKTHKOSA-N 1 2 417.550 1.113 20 0 HDADLO CN(C(=O)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1)C1CCCCC1 ZINC001083148908 1076307720 /nfs/dbraw/zinc/30/77/20/1076307720.db2.gz MVYWKNRCBYNTOG-VZZKTHKOSA-N 1 2 417.550 1.113 20 0 HDADLO Cc1ccccc1[C@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)C1=O ZINC000728041054 1076317557 /nfs/dbraw/zinc/31/75/57/1076317557.db2.gz BASWOPALQLFOLH-QFIPXVFZSA-N 1 2 414.506 1.290 20 0 HDADLO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000728053066 1076321298 /nfs/dbraw/zinc/32/12/98/1076321298.db2.gz GUOVZGBCWNIBTI-SJLPKXTDSA-N 1 2 414.568 1.420 20 0 HDADLO O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000728053066 1076321308 /nfs/dbraw/zinc/32/13/08/1076321308.db2.gz GUOVZGBCWNIBTI-SJLPKXTDSA-N 1 2 414.568 1.420 20 0 HDADLO O=C(CN1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1)NC1CC1 ZINC000023253872 1076342704 /nfs/dbraw/zinc/34/27/04/1076342704.db2.gz XHGIRXKNBXGYQX-INIZCTEOSA-N 1 2 412.328 1.085 20 0 HDADLO O=C(CN1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1)NC1CC1 ZINC000025300757 1076351460 /nfs/dbraw/zinc/35/14/60/1076351460.db2.gz TWDQNPPHBSPVIL-JOCHJYFZSA-N 1 2 409.530 1.990 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3c[nH]c[nH+]3)CC2)cc1OC ZINC000498324046 1076354613 /nfs/dbraw/zinc/35/46/13/1076354613.db2.gz NFKKHQGMTJOLAZ-UHFFFAOYSA-N 1 2 422.507 1.329 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3c[nH+]c[nH]3)CC2)cc1OC ZINC000498324046 1076354618 /nfs/dbraw/zinc/35/46/18/1076354618.db2.gz NFKKHQGMTJOLAZ-UHFFFAOYSA-N 1 2 422.507 1.329 20 0 HDADLO c1ccc(Cn2nnnc2CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000029702188 1076363408 /nfs/dbraw/zinc/36/34/08/1076363408.db2.gz UDYNPRCXLALOKS-UHFFFAOYSA-N 1 2 406.490 1.810 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@@H]1C1OCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000728172920 1076364034 /nfs/dbraw/zinc/36/40/34/1076364034.db2.gz PEJPVSHVKJQEDZ-HXUWFJFHSA-N 1 2 415.534 1.493 20 0 HDADLO O=C(C[N@H+]1CCCC[C@@H]1C1OCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000728172920 1076364044 /nfs/dbraw/zinc/36/40/44/1076364044.db2.gz PEJPVSHVKJQEDZ-HXUWFJFHSA-N 1 2 415.534 1.493 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000730120196 1076464068 /nfs/dbraw/zinc/46/40/68/1076464068.db2.gz DQXLBMWVOCYBAC-HNAYVOBHSA-N 1 2 414.572 1.503 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[NH+]3CCC(NC(=O)C(C)C)CC3)C2=O)cc1 ZINC000730253456 1076499033 /nfs/dbraw/zinc/49/90/33/1076499033.db2.gz QUIJZVHCGKMCQC-QFIPXVFZSA-N 1 2 416.522 1.742 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000730261754 1076502560 /nfs/dbraw/zinc/50/25/60/1076502560.db2.gz BSRPACKWDFOVSX-AWEZNQCLSA-N 1 2 407.467 1.509 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000730261754 1076502562 /nfs/dbraw/zinc/50/25/62/1076502562.db2.gz BSRPACKWDFOVSX-AWEZNQCLSA-N 1 2 407.467 1.509 20 0 HDADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730264181 1076506252 /nfs/dbraw/zinc/50/62/52/1076506252.db2.gz PMZRJDQOXVTBMC-BZUAXINKSA-N 1 2 405.495 1.930 20 0 HDADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730264181 1076506264 /nfs/dbraw/zinc/50/62/64/1076506264.db2.gz PMZRJDQOXVTBMC-BZUAXINKSA-N 1 2 405.495 1.930 20 0 HDADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cccc(OCC)n3)CC2)CC1 ZINC000730266726 1076507502 /nfs/dbraw/zinc/50/75/02/1076507502.db2.gz USDSLWQADRSFHK-KRWDZBQOSA-N 1 2 419.526 1.292 20 0 HDADLO O=C(CCC(=O)N1CCOc2ccccc21)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000730284302 1076513241 /nfs/dbraw/zinc/51/32/41/1076513241.db2.gz IPJRDRDKGJIWFS-UHFFFAOYSA-N 1 2 413.478 1.360 20 0 HDADLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571260 1076605693 /nfs/dbraw/zinc/60/56/93/1076605693.db2.gz PGIUCBRCFLLRGQ-HZPDHXFCSA-N 1 2 409.556 1.119 20 0 HDADLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571260 1076605699 /nfs/dbraw/zinc/60/56/99/1076605699.db2.gz PGIUCBRCFLLRGQ-HZPDHXFCSA-N 1 2 409.556 1.119 20 0 HDADLO CCOC(=O)c1cnn(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C(F)F ZINC000731204439 1076754268 /nfs/dbraw/zinc/75/42/68/1076754268.db2.gz JLJFMKBRVXKQJP-CYBMUJFWSA-N 1 2 400.426 1.526 20 0 HDADLO CCOC(=O)c1cnn(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C(F)F ZINC000731204439 1076754275 /nfs/dbraw/zinc/75/42/75/1076754275.db2.gz JLJFMKBRVXKQJP-CYBMUJFWSA-N 1 2 400.426 1.526 20 0 HDADLO CCCSc1ncnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c1OC ZINC001164644718 719285068 /nfs/dbraw/zinc/28/50/68/719285068.db2.gz RVVFAFIDFYBVQQ-UHFFFAOYSA-N 1 2 423.583 1.747 20 0 HDADLO CCCSc1ncnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c1OC ZINC001164644718 719285074 /nfs/dbraw/zinc/28/50/74/719285074.db2.gz RVVFAFIDFYBVQQ-UHFFFAOYSA-N 1 2 423.583 1.747 20 0 HDADLO COC(=O)c1cc(Cl)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164700439 719845159 /nfs/dbraw/zinc/84/51/59/719845159.db2.gz KPUOUGKUWNYNLC-IFXJQAMLSA-N 1 2 411.886 1.754 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(C)c1 ZINC001164703957 719848046 /nfs/dbraw/zinc/84/80/46/719848046.db2.gz RPDOFAUKSCSHBR-UTKZUKDTSA-N 1 2 405.495 1.799 20 0 HDADLO CCOC(=O)Cc1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164705155 719854845 /nfs/dbraw/zinc/85/48/45/719854845.db2.gz TXZXUUASLAXOJL-UTKZUKDTSA-N 1 2 405.495 1.420 20 0 HDADLO CCOC(=O)Cc1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164705156 719854936 /nfs/dbraw/zinc/85/49/36/719854936.db2.gz TXZXUUASLAXOJL-UWJYYQICSA-N 1 2 405.495 1.420 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC(C)(C)C)cn1 ZINC001164706405 719854994 /nfs/dbraw/zinc/85/49/94/719854994.db2.gz XEMOHHCBNAVAOS-HTAPYJJXSA-N 1 2 418.538 1.843 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1[C@H](C)CC(=O)N2 ZINC001164700069 719855779 /nfs/dbraw/zinc/85/57/79/719855779.db2.gz GAWOKHHQBJSVFQ-JZKQVHKSSA-N 1 2 403.483 1.155 20 0 HDADLO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncc1C ZINC001164697761 719857367 /nfs/dbraw/zinc/85/73/67/719857367.db2.gz AGIMZERZJANTIM-IIBYNOLFSA-N 1 2 405.495 1.799 20 0 HDADLO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164699429 719858157 /nfs/dbraw/zinc/85/81/57/719858157.db2.gz FDBWILICNWCYND-VFNWGFHPSA-N 1 2 421.494 1.500 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(N2CCCCC2)n1 ZINC001164698766 719861328 /nfs/dbraw/zinc/86/13/28/719861328.db2.gz DNUCUZPIGVDUHK-UWJYYQICSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(N2CCCCC2)n1 ZINC001164703193 719862587 /nfs/dbraw/zinc/86/25/87/719862587.db2.gz PJPAUYHIGHGSGN-UWJYYQICSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C(OC)OC ZINC001164706744 719863362 /nfs/dbraw/zinc/86/33/62/719863362.db2.gz QJMAHUAKGHHUMQ-HRAATJIYSA-N 1 2 407.511 1.914 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCCC2)ncn1 ZINC001164702855 719867587 /nfs/dbraw/zinc/86/75/87/719867587.db2.gz JBUPSBQTCQONHL-UTKZUKDTSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)c1nc(Cl)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164707805 719873257 /nfs/dbraw/zinc/87/32/57/719873257.db2.gz VNXXOHDGOYXQLI-SGTLLEGYSA-N 1 2 412.874 1.149 20 0 HDADLO COCCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164707794 719877139 /nfs/dbraw/zinc/87/71/39/719877139.db2.gz VKYRCJIWDXABDQ-UWJYYQICSA-N 1 2 421.494 1.118 20 0 HDADLO Cc1cccc2ncc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc12 ZINC001164709184 719904885 /nfs/dbraw/zinc/90/48/85/719904885.db2.gz PZMMNWXWWVPJKP-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164709294 719914421 /nfs/dbraw/zinc/91/44/21/719914421.db2.gz SKKGYXWEQHLQEA-UHFFFAOYSA-N 1 2 415.885 1.560 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164708249 719925545 /nfs/dbraw/zinc/92/55/45/719925545.db2.gz GIRCXAGHSSJOEA-UHFFFAOYSA-N 1 2 423.546 1.889 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cl)cc1Cl)CC2 ZINC001164703252 719932953 /nfs/dbraw/zinc/93/29/53/719932953.db2.gz JWWJRJDLXCHWPQ-UHFFFAOYSA-N 1 2 410.309 1.467 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)c4cc(OC)ccc4n3)C2)C1 ZINC001164719857 720259839 /nfs/dbraw/zinc/25/98/39/720259839.db2.gz PVFFONBGQGMMTQ-QFIPXVFZSA-N 1 2 413.522 1.612 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)c4cc(OC)ccc4n3)C2)C1 ZINC001164719857 720259845 /nfs/dbraw/zinc/25/98/45/720259845.db2.gz PVFFONBGQGMMTQ-QFIPXVFZSA-N 1 2 413.522 1.612 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(N)c3)C2)C1 ZINC001164723315 720281157 /nfs/dbraw/zinc/28/11/57/720281157.db2.gz WRZDMRDVJWEGSY-QGZVFWFLSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(N)c3)C2)C1 ZINC001164723315 720281174 /nfs/dbraw/zinc/28/11/74/720281174.db2.gz WRZDMRDVJWEGSY-QGZVFWFLSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cnc(Cl)cn3)C2)C1 ZINC001164722785 720308977 /nfs/dbraw/zinc/30/89/77/720308977.db2.gz LKAZXTCJIJWXBI-MRXNPFEDSA-N 1 2 419.860 1.220 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cnc(Cl)cn3)C2)C1 ZINC001164722785 720308981 /nfs/dbraw/zinc/30/89/81/720308981.db2.gz LKAZXTCJIJWXBI-MRXNPFEDSA-N 1 2 419.860 1.220 20 0 HDADLO COc1nc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827275 720431542 /nfs/dbraw/zinc/43/15/42/720431542.db2.gz SGJGJEPGHGQRGG-CQSZACIVSA-N 1 2 422.917 1.325 20 0 HDADLO COC(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824010 720435956 /nfs/dbraw/zinc/43/59/56/720435956.db2.gz KUJYLCHDEXXDLF-MRXNPFEDSA-N 1 2 415.494 1.054 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nncc3ccccc31)C2 ZINC001164825592 720440654 /nfs/dbraw/zinc/44/06/54/720440654.db2.gz SMERTSITUAVRIP-GOSISDBHSA-N 1 2 408.506 1.816 20 0 HDADLO COc1cc(Cl)ncc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164827072 720444308 /nfs/dbraw/zinc/44/43/08/720444308.db2.gz YVTNOPSWKZGQDZ-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO COc1cnnc(Cl)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164823402 720451135 /nfs/dbraw/zinc/45/11/35/720451135.db2.gz JDMGZCKDWJVJOC-CQSZACIVSA-N 1 2 422.917 1.325 20 0 HDADLO CSc1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831808 720476825 /nfs/dbraw/zinc/47/68/25/720476825.db2.gz RCGUBUOVTUUEBU-OAHLLOKOSA-N 1 2 404.540 1.385 20 0 HDADLO CS(=O)(=O)c1ccc(Cl)nc1N1CCc2[nH+]cc(CN3CCCC3)n2CC1 ZINC001164736350 720577904 /nfs/dbraw/zinc/57/79/04/720577904.db2.gz JVMKXFUGTBEJIC-UHFFFAOYSA-N 1 2 409.943 1.994 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4S(=O)(=O)CC5)C[C@H]3C2)cn1 ZINC001164767998 721242618 /nfs/dbraw/zinc/24/26/18/721242618.db2.gz XKRBSRZFUJNJQL-UONOGXRCSA-N 1 2 422.942 1.152 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4S(=O)(=O)CC5)C[C@H]3C2)cn1 ZINC001164767998 721242624 /nfs/dbraw/zinc/24/26/24/721242624.db2.gz XKRBSRZFUJNJQL-UONOGXRCSA-N 1 2 422.942 1.152 20 0 HDADLO CN(C)c1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912757 721768528 /nfs/dbraw/zinc/76/85/28/721768528.db2.gz PLQVEOKOTAFFPR-HXUWFJFHSA-N 1 2 418.929 1.699 20 0 HDADLO CN(C)c1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912757 721768533 /nfs/dbraw/zinc/76/85/33/721768533.db2.gz PLQVEOKOTAFFPR-HXUWFJFHSA-N 1 2 418.929 1.699 20 0 HDADLO CCOC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164912771 721773342 /nfs/dbraw/zinc/77/33/42/721773342.db2.gz PRFZASOIXWMEMN-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164912771 721773349 /nfs/dbraw/zinc/77/33/49/721773349.db2.gz PRFZASOIXWMEMN-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO c1cn(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cn1 ZINC001164917681 721788965 /nfs/dbraw/zinc/78/89/65/721788965.db2.gz YUISNHNYMDOBTR-OAQYLSRUSA-N 1 2 407.478 1.165 20 0 HDADLO c1cn(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cn1 ZINC001164917681 721788967 /nfs/dbraw/zinc/78/89/67/721788967.db2.gz YUISNHNYMDOBTR-OAQYLSRUSA-N 1 2 407.478 1.165 20 0 HDADLO c1ncn(Cc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)n1 ZINC001164915259 721794669 /nfs/dbraw/zinc/79/46/69/721794669.db2.gz UXVHCPNCMDRQMI-QFIPXVFZSA-N 1 2 421.505 1.224 20 0 HDADLO c1ncn(Cc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)n1 ZINC001164915259 721794670 /nfs/dbraw/zinc/79/46/70/721794670.db2.gz UXVHCPNCMDRQMI-QFIPXVFZSA-N 1 2 421.505 1.224 20 0 HDADLO CC(C)n1cnc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164913481 721794886 /nfs/dbraw/zinc/79/48/86/721794886.db2.gz DPUHYGYTMQNALL-JOCHJYFZSA-N 1 2 423.521 1.910 20 0 HDADLO CC(C)n1cnc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164913481 721794889 /nfs/dbraw/zinc/79/48/89/721794889.db2.gz DPUHYGYTMQNALL-JOCHJYFZSA-N 1 2 423.521 1.910 20 0 HDADLO COC(=O)c1cc2cnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc2n1C ZINC001164917814 721818479 /nfs/dbraw/zinc/81/84/79/721818479.db2.gz HZECZUFCAWQMRO-UHFFFAOYSA-N 1 2 409.494 1.701 20 0 HDADLO Clc1nnc(Cl)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1N1CCOCC1 ZINC001165041812 721926671 /nfs/dbraw/zinc/92/66/71/721926671.db2.gz BWYBUXYJQOBSHJ-ZDUSSCGKSA-N 1 2 402.326 1.921 20 0 HDADLO O=C(NC1CC1)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164948162 721975021 /nfs/dbraw/zinc/97/50/21/721975021.db2.gz UTUJIALESQWKPW-UHFFFAOYSA-N 1 2 419.529 1.945 20 0 HDADLO O=C(NC1CC1)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164948162 721975023 /nfs/dbraw/zinc/97/50/23/721975023.db2.gz UTUJIALESQWKPW-UHFFFAOYSA-N 1 2 419.529 1.945 20 0 HDADLO O=C(NC1CC1)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164945638 721980015 /nfs/dbraw/zinc/98/00/15/721980015.db2.gz CGRLIVFDNNZMBB-UHFFFAOYSA-N 1 2 420.517 1.340 20 0 HDADLO O=C(NC1CC1)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164945638 721980019 /nfs/dbraw/zinc/98/00/19/721980019.db2.gz CGRLIVFDNNZMBB-UHFFFAOYSA-N 1 2 420.517 1.340 20 0 HDADLO COc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1NC(C)=O ZINC000014098782 1073483358 /nfs/dbraw/zinc/48/33/58/1073483358.db2.gz RHRTUDZVNIETLE-ZIAGYGMSSA-N 1 2 413.540 1.820 20 0 HDADLO COc1ccc(OC)c(C[NH+]2CCN(Cc3nnnn3CC(F)(F)F)CC2)c1 ZINC000429055915 1073485509 /nfs/dbraw/zinc/48/55/09/1073485509.db2.gz XLHJJNYFLFSCDU-UHFFFAOYSA-N 1 2 400.405 1.570 20 0 HDADLO O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000625097476 1073487598 /nfs/dbraw/zinc/48/75/98/1073487598.db2.gz HFSMIGPRQUDRKZ-AWEZNQCLSA-N 1 2 410.400 1.618 20 0 HDADLO CN(CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000429059912 1073494672 /nfs/dbraw/zinc/49/46/72/1073494672.db2.gz KTJYNKCXTCLUMP-MRXNPFEDSA-N 1 2 411.535 1.523 20 0 HDADLO CN(CC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000429059912 1073494678 /nfs/dbraw/zinc/49/46/78/1073494678.db2.gz KTJYNKCXTCLUMP-MRXNPFEDSA-N 1 2 411.535 1.523 20 0 HDADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000429085095 1073529870 /nfs/dbraw/zinc/52/98/70/1073529870.db2.gz XXEALLLGDBNGND-CRAIPNDOSA-N 1 2 410.540 1.625 20 0 HDADLO O=C(N[C@H](CCCO)c1ccccc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000509122948 1073601902 /nfs/dbraw/zinc/60/19/02/1073601902.db2.gz LHNNNZVPNHDEND-WOJBJXKFSA-N 1 2 403.523 1.330 20 0 HDADLO O=C(CN1CC[NH+]([C@H]2CCCCNC2=O)CC1)Nc1ccc(Br)cc1 ZINC000673715397 1073654193 /nfs/dbraw/zinc/65/41/93/1073654193.db2.gz KSYINTDOZPUYBZ-INIZCTEOSA-N 1 2 409.328 1.674 20 0 HDADLO Cc1cccn2cc(CCNC(=O)c3ccc(CCNS(C)(=O)=O)s3)[nH+]c12 ZINC000673724046 1073656465 /nfs/dbraw/zinc/65/64/65/1073656465.db2.gz COKHTUWUNLEUHA-UHFFFAOYSA-N 1 2 406.533 1.768 20 0 HDADLO COc1cccc(Oc2ncccc2CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000509128659 1073675504 /nfs/dbraw/zinc/67/55/04/1073675504.db2.gz HHVZFVNFAZENHU-INIZCTEOSA-N 1 2 421.457 1.826 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCC(=O)N3CCN(c4ccccc4)CC3)[nH+]c12 ZINC000673772536 1073704603 /nfs/dbraw/zinc/70/46/03/1073704603.db2.gz HGXKESCUBPKUAC-UHFFFAOYSA-N 1 2 420.517 1.833 20 0 HDADLO C[C@H]1C[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2O1 ZINC000429127908 1073709112 /nfs/dbraw/zinc/70/91/12/1073709112.db2.gz NDDROXVOUPIISZ-HNNXBMFYSA-N 1 2 403.504 1.276 20 0 HDADLO C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)Cc2ccccc2O1 ZINC000429127908 1073709114 /nfs/dbraw/zinc/70/91/14/1073709114.db2.gz NDDROXVOUPIISZ-HNNXBMFYSA-N 1 2 403.504 1.276 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)[nH+]c12 ZINC000673775147 1073709185 /nfs/dbraw/zinc/70/91/85/1073709185.db2.gz KPKFHBHKEBENDX-QGZVFWFLSA-N 1 2 406.490 1.862 20 0 HDADLO COc1ccc(OC(C)C)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673782333 1073717698 /nfs/dbraw/zinc/71/76/98/1073717698.db2.gz BJIIPWCMGOJHJV-QGZVFWFLSA-N 1 2 405.495 1.744 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C(=O)NC(C)C ZINC000673784376 1073724326 /nfs/dbraw/zinc/72/43/26/1073724326.db2.gz JMDPBBFRSWPDTJ-SFHVURJKSA-N 1 2 416.522 1.395 20 0 HDADLO O=C(Nc1cccc(N2CCCCC2=O)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784767 1073726906 /nfs/dbraw/zinc/72/69/06/1073726906.db2.gz KCGFTBWUOBFROD-LJQANCHMSA-N 1 2 414.506 1.465 20 0 HDADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1C(=O)NC(C)C ZINC000673785335 1073728912 /nfs/dbraw/zinc/72/89/12/1073728912.db2.gz QTRWXOBSNBEFSL-SFHVURJKSA-N 1 2 416.522 1.395 20 0 HDADLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785071 1073729996 /nfs/dbraw/zinc/72/99/96/1073729996.db2.gz NKGJCKLZDOMGQN-SFHVURJKSA-N 1 2 414.506 1.605 20 0 HDADLO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785725 1073730538 /nfs/dbraw/zinc/73/05/38/1073730538.db2.gz XZBBYTHAHZNCDM-ZDUSSCGKSA-N 1 2 414.275 1.850 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)[nH+]c12 ZINC000673786508 1073731191 /nfs/dbraw/zinc/73/11/91/1073731191.db2.gz GGIUAFXWJKVSHX-UHFFFAOYSA-N 1 2 403.446 1.580 20 0 HDADLO CNC(=O)c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1Cl ZINC000673788527 1073741889 /nfs/dbraw/zinc/74/18/89/1073741889.db2.gz LNDLKNHXNGBYGF-UHFFFAOYSA-N 1 2 413.865 1.953 20 0 HDADLO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673789067 1073744308 /nfs/dbraw/zinc/74/43/08/1073744308.db2.gz RMFAEQLIBAESCG-UHFFFAOYSA-N 1 2 413.865 1.953 20 0 HDADLO C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cccc(O)c1 ZINC000429139934 1073755892 /nfs/dbraw/zinc/75/58/92/1073755892.db2.gz WUVYESSXPOPOKJ-MRXNPFEDSA-N 1 2 412.494 1.612 20 0 HDADLO C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cccc(O)c1 ZINC000429139934 1073755900 /nfs/dbraw/zinc/75/59/00/1073755900.db2.gz WUVYESSXPOPOKJ-MRXNPFEDSA-N 1 2 412.494 1.612 20 0 HDADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c(I)cnn1C ZINC000509153040 1073759147 /nfs/dbraw/zinc/75/91/47/1073759147.db2.gz MSEIVKDNDQZZMG-UHFFFAOYSA-N 1 2 406.268 1.208 20 0 HDADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c(I)cnn1C ZINC000509153040 1073759165 /nfs/dbraw/zinc/75/91/65/1073759165.db2.gz MSEIVKDNDQZZMG-UHFFFAOYSA-N 1 2 406.268 1.208 20 0 HDADLO CCS(=O)(=O)c1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673824576 1073768315 /nfs/dbraw/zinc/76/83/15/1073768315.db2.gz NJHCTRABHFSVTF-UHFFFAOYSA-N 1 2 407.517 1.957 20 0 HDADLO C[C@@H]([NH2+]CC(=O)NCc1ccccc1Cn1cccn1)c1nnnn1-c1ccccc1 ZINC000543499346 1073852121 /nfs/dbraw/zinc/85/21/21/1073852121.db2.gz SDEMZLARAUDVSX-QGZVFWFLSA-N 1 2 416.489 1.874 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000766040306 1073867759 /nfs/dbraw/zinc/86/77/59/1073867759.db2.gz PPVZTOWITZLLBX-AEFFLSMTSA-N 1 2 420.897 1.970 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000766040306 1073867765 /nfs/dbraw/zinc/86/77/65/1073867765.db2.gz PPVZTOWITZLLBX-AEFFLSMTSA-N 1 2 420.897 1.970 20 0 HDADLO COC(=O)c1cc(Br)ccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766043838 1073910091 /nfs/dbraw/zinc/91/00/91/1073910091.db2.gz HSNCMZLGHSXJLY-UHFFFAOYSA-N 1 2 422.297 1.667 20 0 HDADLO O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000030145981 1073917721 /nfs/dbraw/zinc/91/77/21/1073917721.db2.gz FYXPWXFOIRAJMA-UHFFFAOYSA-N 1 2 412.490 1.508 20 0 HDADLO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000509174702 1073918367 /nfs/dbraw/zinc/91/83/67/1073918367.db2.gz JCIMTFZIWAMGOD-UHFFFAOYSA-N 1 2 407.458 1.798 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c([C@@H]3CCOC3)nnc2N(C)CCOC)nc[nH+]1 ZINC001299289729 1073934191 /nfs/dbraw/zinc/93/41/91/1073934191.db2.gz BRZMFFHDANIYRU-HZPDHXFCSA-N 1 2 416.530 1.365 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c([C@@H]3CCOC3)nnc2N(C)CCOC)[nH+]cn1 ZINC001299289729 1073934193 /nfs/dbraw/zinc/93/41/93/1073934193.db2.gz BRZMFFHDANIYRU-HZPDHXFCSA-N 1 2 416.530 1.365 20 0 HDADLO Cc1cn(C(C)(C)C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C3)c[nH+]1 ZINC001005015622 1073966503 /nfs/dbraw/zinc/96/65/03/1073966503.db2.gz ZILSDLJZAJPSBT-QQXKLLMISA-N 1 2 400.523 1.990 20 0 HDADLO Cc1ccc2ncccc2c1S(=O)(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000673984781 1073974150 /nfs/dbraw/zinc/97/41/50/1073974150.db2.gz ZYYPLMLRTLFPGX-UHFFFAOYSA-N 1 2 416.507 1.218 20 0 HDADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1ccc(Br)cc1Cl ZINC000484401249 1073975730 /nfs/dbraw/zinc/97/57/30/1073975730.db2.gz BATZWGCWNPBHON-UHFFFAOYSA-N 1 2 420.735 1.668 20 0 HDADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1ccc(Br)cc1Cl ZINC000484401249 1073975733 /nfs/dbraw/zinc/97/57/33/1073975733.db2.gz BATZWGCWNPBHON-UHFFFAOYSA-N 1 2 420.735 1.668 20 0 HDADLO Cc1cc(C)c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4COCC[C@H]24)C3)c(C)[nH+]1 ZINC001005049907 1073999873 /nfs/dbraw/zinc/99/98/73/1073999873.db2.gz OIVHSRSVWUXOSH-WGEHRRGWSA-N 1 2 413.518 1.920 20 0 HDADLO COCCOc1ccc(NC(=O)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cn1 ZINC000543525890 1074006984 /nfs/dbraw/zinc/00/69/84/1074006984.db2.gz KQMNJWTZSHRZEY-UHFFFAOYSA-N 1 2 402.451 1.724 20 0 HDADLO CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527367 1074010147 /nfs/dbraw/zinc/01/01/47/1074010147.db2.gz OYJLSNHLMQKHSN-UHFFFAOYSA-N 1 2 403.401 1.569 20 0 HDADLO O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527170 1074011750 /nfs/dbraw/zinc/01/17/50/1074011750.db2.gz MAQXTNNFGNCYBQ-LJAQVGFWSA-N 1 2 415.515 1.069 20 0 HDADLO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543526840 1074012707 /nfs/dbraw/zinc/01/27/07/1074012707.db2.gz MCGCVUHOWZVPBB-UHFFFAOYSA-N 1 2 413.522 1.553 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1C ZINC000543530199 1074019585 /nfs/dbraw/zinc/01/95/85/1074019585.db2.gz SSCAZCTYBRBPTI-UHFFFAOYSA-N 1 2 406.464 1.103 20 0 HDADLO COc1ccc(CN2CCCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2=O)cc1 ZINC000466583589 1074023984 /nfs/dbraw/zinc/02/39/84/1074023984.db2.gz HMYJARZNVIBINV-KRWDZBQOSA-N 1 2 404.511 1.160 20 0 HDADLO COc1ccc(C(C)=O)cc1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000014731246 1074025937 /nfs/dbraw/zinc/02/59/37/1074025937.db2.gz LIHKVENDXVEKRY-UHFFFAOYSA-N 1 2 408.462 1.466 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)c2)cc[nH+]1 ZINC000543538325 1074047024 /nfs/dbraw/zinc/04/70/24/1074047024.db2.gz PXCOBFUEVYQRJQ-UHFFFAOYSA-N 1 2 405.524 1.845 20 0 HDADLO O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429197298 1074049241 /nfs/dbraw/zinc/04/92/41/1074049241.db2.gz OFUCBCHNEGQIQP-QGZVFWFLSA-N 1 2 403.446 1.877 20 0 HDADLO Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)cn1 ZINC000509196835 1074052223 /nfs/dbraw/zinc/05/22/23/1074052223.db2.gz NZNOSGQDUWKSGX-UHFFFAOYSA-N 1 2 424.548 1.517 20 0 HDADLO Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)cn1 ZINC000509196835 1074052232 /nfs/dbraw/zinc/05/22/32/1074052232.db2.gz NZNOSGQDUWKSGX-UHFFFAOYSA-N 1 2 424.548 1.517 20 0 HDADLO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000543548298 1074063580 /nfs/dbraw/zinc/06/35/80/1074063580.db2.gz HSRVOZMERPWAIP-KGLIPLIRSA-N 1 2 403.458 1.914 20 0 HDADLO CCc1ccc(S(=O)(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000674024793 1074083497 /nfs/dbraw/zinc/08/34/97/1074083497.db2.gz RKZITXRHILIBMX-KRWDZBQOSA-N 1 2 402.582 1.769 20 0 HDADLO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1 ZINC000543554005 1074087674 /nfs/dbraw/zinc/08/76/74/1074087674.db2.gz WQCHUPUXKARPHT-CQSZACIVSA-N 1 2 417.535 1.764 20 0 HDADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000543555904 1074091988 /nfs/dbraw/zinc/09/19/88/1074091988.db2.gz YKMTWGBYTSVGME-DOMZBBRYSA-N 1 2 415.275 1.635 20 0 HDADLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000543555904 1074091996 /nfs/dbraw/zinc/09/19/96/1074091996.db2.gz YKMTWGBYTSVGME-DOMZBBRYSA-N 1 2 415.275 1.635 20 0 HDADLO Cc1ccc(C[C@H](CO)NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000466615219 1074117681 /nfs/dbraw/zinc/11/76/81/1074117681.db2.gz CTFCZIIEYVUMQZ-LJQANCHMSA-N 1 2 411.506 1.503 20 0 HDADLO Cc1ccc(C[C@@H](CO)NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000466615218 1074117796 /nfs/dbraw/zinc/11/77/96/1074117796.db2.gz CTFCZIIEYVUMQZ-IBGZPJMESA-N 1 2 411.506 1.503 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@]2(C)CCCC[C@@H]2O)CC1 ZINC000674040203 1074123737 /nfs/dbraw/zinc/12/37/37/1074123737.db2.gz LWHVJPMOZWFQPM-PGRDOPGGSA-N 1 2 416.522 1.070 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000674198447 1074214875 /nfs/dbraw/zinc/21/48/75/1074214875.db2.gz SQIXJOKOINECFQ-MRXNPFEDSA-N 1 2 424.505 1.142 20 0 HDADLO O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202024 1074217173 /nfs/dbraw/zinc/21/71/73/1074217173.db2.gz KHGYUBQWEJRJAX-HNNXBMFYSA-N 1 2 406.446 1.341 20 0 HDADLO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000674203068 1074217684 /nfs/dbraw/zinc/21/76/84/1074217684.db2.gz IPDQUQPCXAWUIG-QGZVFWFLSA-N 1 2 410.478 1.777 20 0 HDADLO CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000674202859 1074218032 /nfs/dbraw/zinc/21/80/32/1074218032.db2.gz XBRJLLVNDXDKPT-LBPRGKRZSA-N 1 2 412.418 1.367 20 0 HDADLO O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)NCC1([NH+]2CCOCC2)CC1 ZINC001128661504 1074224749 /nfs/dbraw/zinc/22/47/49/1074224749.db2.gz NRXWJVMQTDTXEB-CQSZACIVSA-N 1 2 408.296 1.856 20 0 HDADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)C1 ZINC000674276861 1074258845 /nfs/dbraw/zinc/25/88/45/1074258845.db2.gz KMFUKYKAMWSKTB-WSTZPKSXSA-N 1 2 407.530 1.688 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN(C)Cc3nnc4ccccn43)CC2)nc(C(C)C)[nH+]1 ZINC000674305449 1074261135 /nfs/dbraw/zinc/26/11/35/1074261135.db2.gz QNXPJJJMGMNTCD-UHFFFAOYSA-N 1 2 422.537 1.732 20 0 HDADLO C[C@@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1noc(Cc2ccccc2)n1 ZINC000674390017 1074308206 /nfs/dbraw/zinc/30/82/06/1074308206.db2.gz RZMCLSUDTJTZHD-WBVHZDCISA-N 1 2 408.462 1.898 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000674400691 1074308561 /nfs/dbraw/zinc/30/85/61/1074308561.db2.gz MXZCEMZHRXIZJG-RTBURBONSA-N 1 2 401.511 1.038 20 0 HDADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000140702129 1074312717 /nfs/dbraw/zinc/31/27/17/1074312717.db2.gz MUIWKZWIPCQMMZ-GOSISDBHSA-N 1 2 416.566 1.831 20 0 HDADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000140702129 1074312726 /nfs/dbraw/zinc/31/27/26/1074312726.db2.gz MUIWKZWIPCQMMZ-GOSISDBHSA-N 1 2 416.566 1.831 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000674424109 1074325904 /nfs/dbraw/zinc/32/59/04/1074325904.db2.gz GRXVSUYCLXTZCI-MGPUTAFESA-N 1 2 400.483 1.202 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1 ZINC000674440250 1074338324 /nfs/dbraw/zinc/33/83/24/1074338324.db2.gz PBIMSPPPNLUUMP-JKSBSHDWSA-N 1 2 424.505 1.724 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000674441325 1074340164 /nfs/dbraw/zinc/34/01/64/1074340164.db2.gz ULKUQHRVIVAKFZ-DNVCBOLYSA-N 1 2 405.524 1.296 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccc(OC)cc3)C(C)C)CCN2C1=O ZINC000674467213 1074364608 /nfs/dbraw/zinc/36/46/08/1074364608.db2.gz COWKKUKMLINFKR-HKUYNNGSSA-N 1 2 402.495 1.477 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(OC)cc3)C(C)C)CCN2C1=O ZINC000674467213 1074364616 /nfs/dbraw/zinc/36/46/16/1074364616.db2.gz COWKKUKMLINFKR-HKUYNNGSSA-N 1 2 402.495 1.477 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CCN2C1=O ZINC000674466950 1074365063 /nfs/dbraw/zinc/36/50/63/1074365063.db2.gz AGXQPAGAZXFQQI-CABCVRRESA-N 1 2 410.396 1.779 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CCN2C1=O ZINC000674466950 1074365074 /nfs/dbraw/zinc/36/50/74/1074365074.db2.gz AGXQPAGAZXFQQI-CABCVRRESA-N 1 2 410.396 1.779 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CCN2C1=O ZINC000674469191 1074366799 /nfs/dbraw/zinc/36/67/99/1074366799.db2.gz XKAPKXUKLGRUSX-IBGZPJMESA-N 1 2 410.474 1.777 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CCN2C1=O ZINC000674469191 1074366806 /nfs/dbraw/zinc/36/68/06/1074366806.db2.gz XKAPKXUKLGRUSX-IBGZPJMESA-N 1 2 410.474 1.777 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CCN2C1=O ZINC000674470165 1074367837 /nfs/dbraw/zinc/36/78/37/1074367837.db2.gz PXRSARDTEYEJMK-MLGOLLRUSA-N 1 2 410.877 1.794 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CCN2C1=O ZINC000674470165 1074367846 /nfs/dbraw/zinc/36/78/46/1074367846.db2.gz PXRSARDTEYEJMK-MLGOLLRUSA-N 1 2 410.877 1.794 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCCO[C@@H](C)c3ccccc3)CCN2C1=O ZINC000674470556 1074369739 /nfs/dbraw/zinc/36/97/39/1074369739.db2.gz YKVLBBMVZRMVJL-WMZOPIPTSA-N 1 2 402.495 1.239 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCCO[C@@H](C)c3ccccc3)CCN2C1=O ZINC000674470556 1074369748 /nfs/dbraw/zinc/36/97/48/1074369748.db2.gz YKVLBBMVZRMVJL-WMZOPIPTSA-N 1 2 402.495 1.239 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3c(C)nn(-c4ccccc4)c3C)CCN2C1=O ZINC000674501549 1074397803 /nfs/dbraw/zinc/39/78/03/1074397803.db2.gz LUSZBXUTOZRQDA-IBGZPJMESA-N 1 2 424.505 1.074 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3c(C)nn(-c4ccccc4)c3C)CCN2C1=O ZINC000674501549 1074397809 /nfs/dbraw/zinc/39/78/09/1074397809.db2.gz LUSZBXUTOZRQDA-IBGZPJMESA-N 1 2 424.505 1.074 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCc3ccc(OC(C)C)cc3)CCN2C1=O ZINC000674502502 1074398371 /nfs/dbraw/zinc/39/83/71/1074398371.db2.gz XTNQFWMPBXYSOF-SFHVURJKSA-N 1 2 402.495 1.101 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(OC(C)C)cc3)CCN2C1=O ZINC000674502502 1074398385 /nfs/dbraw/zinc/39/83/85/1074398385.db2.gz XTNQFWMPBXYSOF-SFHVURJKSA-N 1 2 402.495 1.101 20 0 HDADLO C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)c2N1 ZINC001626099885 1074408566 /nfs/dbraw/zinc/40/85/66/1074408566.db2.gz BRHIBLSNLRIVQL-UKRRQHHQSA-N 1 2 413.469 1.505 20 0 HDADLO O=C(C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)N1CCN(c2cnccn2)CC1 ZINC000674498332 1074408650 /nfs/dbraw/zinc/40/86/50/1074408650.db2.gz XJWHWCFDBOJNGI-RYUDHWBXSA-N 1 2 411.350 1.798 20 0 HDADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nc(C(F)(F)F)cs1 ZINC000674526462 1074418455 /nfs/dbraw/zinc/41/84/55/1074418455.db2.gz NPGCBJHEFPUCDD-NWDGAFQWSA-N 1 2 420.457 1.662 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCC(CS(C)(=O)=O)CC3)CC2)cc1 ZINC000429234414 1074463000 /nfs/dbraw/zinc/46/30/00/1074463000.db2.gz GWCXVFGNJBDEQF-UHFFFAOYSA-N 1 2 423.579 1.096 20 0 HDADLO C[C@@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668224 1074519341 /nfs/dbraw/zinc/51/93/41/1074519341.db2.gz UASILULDMWWSLB-QGZVFWFLSA-N 1 2 421.563 1.350 20 0 HDADLO C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668224 1074519347 /nfs/dbraw/zinc/51/93/47/1074519347.db2.gz UASILULDMWWSLB-QGZVFWFLSA-N 1 2 421.563 1.350 20 0 HDADLO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000674690289 1074530017 /nfs/dbraw/zinc/53/00/17/1074530017.db2.gz QLFTYXOCMNDIJG-MSOLQXFVSA-N 1 2 406.552 1.162 20 0 HDADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 ZINC001128800318 1074540648 /nfs/dbraw/zinc/54/06/48/1074540648.db2.gz KUHPSOPQTVLWAD-HZPDHXFCSA-N 1 2 422.530 1.128 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@](C)(CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766078648 1074588425 /nfs/dbraw/zinc/58/84/25/1074588425.db2.gz VRGNXDFAOQWBPJ-LJQANCHMSA-N 1 2 419.588 1.665 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674981691 1074657254 /nfs/dbraw/zinc/65/72/54/1074657254.db2.gz WWHOMXPYXWSBJG-NJDAHSKKSA-N 1 2 403.523 1.519 20 0 HDADLO CC(C)CC1(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000674997272 1074675783 /nfs/dbraw/zinc/67/57/83/1074675783.db2.gz MSPCQRKRZLJIJC-UHFFFAOYSA-N 1 2 400.523 1.955 20 0 HDADLO COC(=O)CCCc1nnc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000438285920 1074702796 /nfs/dbraw/zinc/70/27/96/1074702796.db2.gz XEGYFZWGABAFHY-AWEZNQCLSA-N 1 2 411.528 1.752 20 0 HDADLO C[C@H]1COCCN1CCNc1nc2ncccc2nc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000675150375 1074738115 /nfs/dbraw/zinc/73/81/15/1074738115.db2.gz KJOAXEOTGXLLMR-IRXDYDNUSA-N 1 2 415.542 1.290 20 0 HDADLO C[C@H]1COCCN1CCNc1nc2ncccc2nc1NCC[N@H+]1CCOC[C@@H]1C ZINC000675150375 1074738122 /nfs/dbraw/zinc/73/81/22/1074738122.db2.gz KJOAXEOTGXLLMR-IRXDYDNUSA-N 1 2 415.542 1.290 20 0 HDADLO C[C@H]1COCCN1CCNc1nc2cccnc2nc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000675150375 1074738124 /nfs/dbraw/zinc/73/81/24/1074738124.db2.gz KJOAXEOTGXLLMR-IRXDYDNUSA-N 1 2 415.542 1.290 20 0 HDADLO C[C@H]1COCCN1CCNc1nc2cccnc2nc1NCC[N@H+]1CCOC[C@@H]1C ZINC000675150375 1074738131 /nfs/dbraw/zinc/73/81/31/1074738131.db2.gz KJOAXEOTGXLLMR-IRXDYDNUSA-N 1 2 415.542 1.290 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)Nc3cccc([C@H](C)[NH+]4CCOCC4)c3)CCN2C1=O ZINC000675140276 1074740115 /nfs/dbraw/zinc/74/01/15/1074740115.db2.gz ITYKNOSGLDRMMC-YJBOKZPZSA-N 1 2 415.494 1.580 20 0 HDADLO C[C@H](CN1CCOCC1)Nc1nc2ncccc2nc1N[C@H](C)C[NH+]1CCOCC1 ZINC000675143049 1074741738 /nfs/dbraw/zinc/74/17/38/1074741738.db2.gz MZKRVYZSUQKWKC-IAGOWNOFSA-N 1 2 415.542 1.290 20 0 HDADLO O=C(CSc1nncn1-c1cccc(Cl)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218913 1074760674 /nfs/dbraw/zinc/76/06/74/1074760674.db2.gz KMIBLZIGYWXLND-INIZCTEOSA-N 1 2 407.927 1.946 20 0 HDADLO O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219975 1074761578 /nfs/dbraw/zinc/76/15/78/1074761578.db2.gz VCPPOUBJGDHMGH-IBGZPJMESA-N 1 2 421.563 1.798 20 0 HDADLO O=C(CNC(=O)c1ccc(Br)s1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219717 1074761797 /nfs/dbraw/zinc/76/17/97/1074761797.db2.gz LCYRCLZXSAABHP-NSHDSACASA-N 1 2 402.314 1.174 20 0 HDADLO O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000429326210 1074778736 /nfs/dbraw/zinc/77/87/36/1074778736.db2.gz CQPFVWJKWQGMTN-SFTDATJTSA-N 1 2 414.550 1.726 20 0 HDADLO NC(=O)[C@H]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000675322164 1074799088 /nfs/dbraw/zinc/79/90/88/1074799088.db2.gz QHDCRFFINNHSHS-HZPDHXFCSA-N 1 2 414.428 1.566 20 0 HDADLO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000766108856 1074814897 /nfs/dbraw/zinc/81/48/97/1074814897.db2.gz QDIBCZFYZFKCQA-CQSZACIVSA-N 1 2 409.535 1.281 20 0 HDADLO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nnnn2C(C)(C)C)C1 ZINC000766108856 1074814900 /nfs/dbraw/zinc/81/49/00/1074814900.db2.gz QDIBCZFYZFKCQA-CQSZACIVSA-N 1 2 409.535 1.281 20 0 HDADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ncn(Cc2ccccc2)n1 ZINC000588253114 1074815638 /nfs/dbraw/zinc/81/56/38/1074815638.db2.gz FELSHEBAPAYIFA-UHFFFAOYSA-N 1 2 406.490 2.480 20 0 HDADLO Cc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1[C@H](C)C1CC1 ZINC000544262025 1075096101 /nfs/dbraw/zinc/09/61/01/1075096101.db2.gz HEKBZGRKHOXSGN-AEFFLSMTSA-N 1 2 403.527 1.814 20 0 HDADLO CN(C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC001129279641 1075096118 /nfs/dbraw/zinc/09/61/18/1075096118.db2.gz CAJJKRYMUSAMGO-HOTGVXAUSA-N 1 2 413.515 1.448 20 0 HDADLO O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000564762406 1075117883 /nfs/dbraw/zinc/11/78/83/1075117883.db2.gz MYYKZFMGGVYTJF-GOSISDBHSA-N 1 2 414.510 2.273 20 0 HDADLO O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000564762406 1075117887 /nfs/dbraw/zinc/11/78/87/1075117887.db2.gz MYYKZFMGGVYTJF-GOSISDBHSA-N 1 2 414.510 2.273 20 0 HDADLO CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000143453512 1075126431 /nfs/dbraw/zinc/12/64/31/1075126431.db2.gz SZJXMRUOMHQBFX-CQSZACIVSA-N 1 2 410.540 1.207 20 0 HDADLO O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675423945 1075139473 /nfs/dbraw/zinc/13/94/73/1075139473.db2.gz XMYBLIFOHYOZBW-PMACEKPBSA-N 1 2 423.517 1.397 20 0 HDADLO COCCCn1ccc(NC(=O)N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)n1 ZINC000432179269 1075152952 /nfs/dbraw/zinc/15/29/52/1075152952.db2.gz PKDGZEYKWAFQNR-MRXNPFEDSA-N 1 2 405.503 2.129 20 0 HDADLO COCCCn1ccc(NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)n1 ZINC000432179269 1075152955 /nfs/dbraw/zinc/15/29/55/1075152955.db2.gz PKDGZEYKWAFQNR-MRXNPFEDSA-N 1 2 405.503 2.129 20 0 HDADLO COCCC1(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCC1 ZINC000675515192 1075180863 /nfs/dbraw/zinc/18/08/63/1075180863.db2.gz UALCCMXBGOQTME-UHFFFAOYSA-N 1 2 416.522 1.336 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000438319728 1075186497 /nfs/dbraw/zinc/18/64/97/1075186497.db2.gz JNJUHGQRPGAVNZ-UHFFFAOYSA-N 1 2 423.521 2.503 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000461104082 1075189816 /nfs/dbraw/zinc/18/98/16/1075189816.db2.gz RBIQFQAFVLMHSJ-KRWDZBQOSA-N 1 2 417.897 1.860 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 ZINC000448152451 1075196404 /nfs/dbraw/zinc/19/64/04/1075196404.db2.gz ZKBFEPDUGHPKSB-UHFFFAOYSA-N 1 2 410.522 2.552 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 ZINC000448152451 1075196406 /nfs/dbraw/zinc/19/64/06/1075196406.db2.gz ZKBFEPDUGHPKSB-UHFFFAOYSA-N 1 2 410.522 2.552 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000675584094 1075213083 /nfs/dbraw/zinc/21/30/83/1075213083.db2.gz QNJNNOPJPLNKFB-UHFFFAOYSA-N 1 2 412.494 1.714 20 0 HDADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675585794 1075215754 /nfs/dbraw/zinc/21/57/54/1075215754.db2.gz CSNULMMKFXQOKZ-IBGZPJMESA-N 1 2 408.462 1.562 20 0 HDADLO Cc1cccn2cc(CCNS(=O)(=O)CCNS(=O)(=O)c3ccccc3)[nH+]c12 ZINC000675631433 1075243855 /nfs/dbraw/zinc/24/38/55/1075243855.db2.gz PEXFEBRCHHWVRB-UHFFFAOYSA-N 1 2 422.532 1.083 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(c2nccs2)CC1 ZINC000675733995 1075261016 /nfs/dbraw/zinc/26/10/16/1075261016.db2.gz UBANRVXBKYZJHW-UHFFFAOYSA-N 1 2 414.535 1.316 20 0 HDADLO COc1cccc2c1OC[C@@H](NC(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000675780845 1075268318 /nfs/dbraw/zinc/26/83/18/1075268318.db2.gz AZIHRTMBJUZYEN-SFHVURJKSA-N 1 2 424.501 1.639 20 0 HDADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000731354673 1075317905 /nfs/dbraw/zinc/31/79/05/1075317905.db2.gz PYDMVQKIBKEAGO-UHFFFAOYSA-N 1 2 419.507 1.804 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC[C@]1(O)CCCc2ccccc21 ZINC000731360182 1075320597 /nfs/dbraw/zinc/32/05/97/1075320597.db2.gz VVYXTRKZDNJZFN-NHCUHLMSSA-N 1 2 405.564 1.718 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)NC[C@@]1(O)CCCc2ccccc21 ZINC000731360183 1075320637 /nfs/dbraw/zinc/32/06/37/1075320637.db2.gz VVYXTRKZDNJZFN-RTWAWAEBSA-N 1 2 405.564 1.718 20 0 HDADLO CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000731361376 1075320946 /nfs/dbraw/zinc/32/09/46/1075320946.db2.gz GXOQFLQPELLIMZ-UHFFFAOYSA-N 1 2 405.524 1.828 20 0 HDADLO COc1cc(CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1O ZINC000676050063 1075332505 /nfs/dbraw/zinc/33/25/05/1075332505.db2.gz VKXYJLXUHDBYEP-UHFFFAOYSA-N 1 2 412.490 1.584 20 0 HDADLO CCN(CCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000804257180 1075335414 /nfs/dbraw/zinc/33/54/14/1075335414.db2.gz WMVBRWUPVSBQTP-HNNXBMFYSA-N 1 2 405.499 1.150 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000731445731 1075342388 /nfs/dbraw/zinc/34/23/88/1075342388.db2.gz AEAMBYRKEQPKSF-CQSZACIVSA-N 1 2 423.514 1.724 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000731445731 1075342393 /nfs/dbraw/zinc/34/23/93/1075342393.db2.gz AEAMBYRKEQPKSF-CQSZACIVSA-N 1 2 423.514 1.724 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000731445860 1075342545 /nfs/dbraw/zinc/34/25/45/1075342545.db2.gz GIRFKWVSQNWEFQ-ZDUSSCGKSA-N 1 2 409.487 1.382 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000731445860 1075342548 /nfs/dbraw/zinc/34/25/48/1075342548.db2.gz GIRFKWVSQNWEFQ-ZDUSSCGKSA-N 1 2 409.487 1.382 20 0 HDADLO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000731465418 1075357368 /nfs/dbraw/zinc/35/73/68/1075357368.db2.gz ITHQEZBXZSQALI-OAHLLOKOSA-N 1 2 424.486 1.231 20 0 HDADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000448476668 1075360050 /nfs/dbraw/zinc/36/00/50/1075360050.db2.gz BVZOEDPMKGSYCG-UHFFFAOYSA-N 1 2 409.412 2.037 20 0 HDADLO CCOc1cc(NC2CCN(c3nc(NCCO)c4ccccc4[nH+]3)CC2)ncn1 ZINC000547341104 1075364299 /nfs/dbraw/zinc/36/42/99/1075364299.db2.gz LVBGQVIQSIAJTK-UHFFFAOYSA-N 1 2 409.494 2.304 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)C2)o1 ZINC000676116547 1075379069 /nfs/dbraw/zinc/37/90/69/1075379069.db2.gz PAVCFFJMFLITAS-RBUKOAKNSA-N 1 2 412.490 1.443 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)C2)o1 ZINC000676116547 1075379077 /nfs/dbraw/zinc/37/90/77/1075379077.db2.gz PAVCFFJMFLITAS-RBUKOAKNSA-N 1 2 412.490 1.443 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000804092369 1075391534 /nfs/dbraw/zinc/39/15/34/1075391534.db2.gz JQZVZZDHCMTNAC-KFWWJZLASA-N 1 2 405.499 1.266 20 0 HDADLO COc1ccc(Cn2cc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)cn2)cc1 ZINC000597556763 1075392441 /nfs/dbraw/zinc/39/24/41/1075392441.db2.gz WEHLQZWAMOCNDN-UHFFFAOYSA-N 1 2 410.478 1.721 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000676124316 1075395474 /nfs/dbraw/zinc/39/54/74/1075395474.db2.gz VHBHQMFMJJCWAF-KRWDZBQOSA-N 1 2 416.522 1.924 20 0 HDADLO O=C(CCNC(=O)c1cccs1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000804107014 1075407322 /nfs/dbraw/zinc/40/73/22/1075407322.db2.gz PCIMWCACCWNWAG-UHFFFAOYSA-N 1 2 421.544 1.817 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COCc2nc3ccccc3s2)CC1 ZINC000731648602 1075429979 /nfs/dbraw/zinc/42/99/79/1075429979.db2.gz OLHFWXCPGFPCTI-UHFFFAOYSA-N 1 2 411.549 1.438 20 0 HDADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nnn1-c1cccc(C)c1 ZINC000731648649 1075430441 /nfs/dbraw/zinc/43/04/41/1075430441.db2.gz QAJZCJLOEKXYGW-UHFFFAOYSA-N 1 2 405.524 1.123 20 0 HDADLO CCOc1cccc2c1OCC(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)=C2 ZINC000731649534 1075430916 /nfs/dbraw/zinc/43/09/16/1075430916.db2.gz SSDFQMLPRYTWAG-UHFFFAOYSA-N 1 2 408.520 1.486 20 0 HDADLO CCc1ccccc1N1C[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731650288 1075432262 /nfs/dbraw/zinc/43/22/62/1075432262.db2.gz ONCGHXOMGVTLAZ-KRWDZBQOSA-N 1 2 421.563 1.227 20 0 HDADLO CC(C)N(CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000731650900 1075434520 /nfs/dbraw/zinc/43/45/20/1075434520.db2.gz PPRGRZABLPRMNW-UHFFFAOYSA-N 1 2 419.588 1.647 20 0 HDADLO CCc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccccn1 ZINC000731650927 1075434906 /nfs/dbraw/zinc/43/49/06/1075434906.db2.gz SBIRVFWELUCTHR-UHFFFAOYSA-N 1 2 405.524 1.069 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000731650772 1075434967 /nfs/dbraw/zinc/43/49/67/1075434967.db2.gz IZSLFTFJCXIMQP-UHFFFAOYSA-N 1 2 410.927 1.969 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000731650591 1075436292 /nfs/dbraw/zinc/43/62/92/1075436292.db2.gz HNABVOJYHDLSNY-UHFFFAOYSA-N 1 2 421.563 1.438 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000731686405 1075446254 /nfs/dbraw/zinc/44/62/54/1075446254.db2.gz UWMLAJYQGVBXAO-INIZCTEOSA-N 1 2 415.943 1.972 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccn(-c3ccccc3)n2)CC1 ZINC000731685990 1075447891 /nfs/dbraw/zinc/44/78/91/1075447891.db2.gz HEACMKIGTYKACQ-UHFFFAOYSA-N 1 2 405.524 1.181 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000731685999 1075447990 /nfs/dbraw/zinc/44/79/90/1075447990.db2.gz HPKZUJXBWWCUOK-FQEVSTJZSA-N 1 2 416.547 1.979 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000731685802 1075448064 /nfs/dbraw/zinc/44/80/64/1075448064.db2.gz BVOYESNYEVTIDD-GOSISDBHSA-N 1 2 413.515 1.418 20 0 HDADLO COC(=O)c1ccc2c(c1)CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C2 ZINC000731685883 1075448514 /nfs/dbraw/zinc/44/85/14/1075448514.db2.gz FATKUIDSIODEBB-UHFFFAOYSA-N 1 2 409.508 1.007 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000731686662 1075450200 /nfs/dbraw/zinc/45/02/00/1075450200.db2.gz JCTDYAVZINKGKP-HXUWFJFHSA-N 1 2 423.579 1.651 20 0 HDADLO COc1cccc(N2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)c1 ZINC000731686692 1075450213 /nfs/dbraw/zinc/45/02/13/1075450213.db2.gz KYTIEPKIBZJZEE-UHFFFAOYSA-N 1 2 424.567 1.036 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2)CC1 ZINC000731685082 1075469164 /nfs/dbraw/zinc/46/91/64/1075469164.db2.gz ROMHXBTVJSUORN-UHFFFAOYSA-N 1 2 418.357 1.757 20 0 HDADLO COc1nc(C)cc(C)c1CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000676271475 1075474220 /nfs/dbraw/zinc/47/42/20/1075474220.db2.gz JUHPDMPSZHZAEB-UHFFFAOYSA-N 1 2 413.478 1.502 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(N4CCOCC4)nc3C)[nH+]c12 ZINC000676272671 1075474739 /nfs/dbraw/zinc/47/47/39/1075474739.db2.gz HBRQYDAHUHOQGJ-UHFFFAOYSA-N 1 2 422.489 1.480 20 0 HDADLO O=C(COC(=O)c1n[nH]c2c1CCCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000731707063 1075482675 /nfs/dbraw/zinc/48/26/75/1075482675.db2.gz YBTUTMUTPWYDCW-UHFFFAOYSA-N 1 2 412.490 1.594 20 0 HDADLO COc1cccc(OCCN2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676308107 1075504677 /nfs/dbraw/zinc/50/46/77/1075504677.db2.gz VBIVARBOYIEJKC-YLJYHZDGSA-N 1 2 406.527 1.120 20 0 HDADLO COc1cccc(OCCN2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676308107 1075504680 /nfs/dbraw/zinc/50/46/80/1075504680.db2.gz VBIVARBOYIEJKC-YLJYHZDGSA-N 1 2 406.527 1.120 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000676337532 1075511956 /nfs/dbraw/zinc/51/19/56/1075511956.db2.gz XCYDOTFUEGJSDA-UHFFFAOYSA-N 1 2 401.467 1.983 20 0 HDADLO CN(C)C(=O)C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731756837 1075513155 /nfs/dbraw/zinc/51/31/55/1075513155.db2.gz QBCPAOSRAHPSHS-SFHVURJKSA-N 1 2 424.567 1.014 20 0 HDADLO COc1cccc(-n2c(C)nnc2SCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000676340297 1075513668 /nfs/dbraw/zinc/51/36/68/1075513668.db2.gz ANWZERZMUVCBIB-KRWDZBQOSA-N 1 2 417.535 1.610 20 0 HDADLO COCCNC(=O)CSc1ccccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676341576 1075515190 /nfs/dbraw/zinc/51/51/90/1075515190.db2.gz VGKFFZRATVLKAD-MRXNPFEDSA-N 1 2 407.536 1.088 20 0 HDADLO Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000676341522 1075515557 /nfs/dbraw/zinc/51/55/57/1075515557.db2.gz STVUJGFKSHEQDB-WBVHZDCISA-N 1 2 401.536 1.902 20 0 HDADLO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676343027 1075516046 /nfs/dbraw/zinc/51/60/46/1075516046.db2.gz UPNSBQKJRCMWJI-VQTJNVASSA-N 1 2 421.563 1.162 20 0 HDADLO Cc1nc(NC(=O)C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nn1C ZINC000559538538 1075521287 /nfs/dbraw/zinc/52/12/87/1075521287.db2.gz GHLGDNLDIRAVEV-QGZVFWFLSA-N 1 2 424.530 2.039 20 0 HDADLO Cc1nc(NC(=O)C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nn1C ZINC000559538538 1075521292 /nfs/dbraw/zinc/52/12/92/1075521292.db2.gz GHLGDNLDIRAVEV-QGZVFWFLSA-N 1 2 424.530 2.039 20 0 HDADLO Cc1nc(N[C@@H]2CCO[C@]3(CCOC3)C2)nc(N[C@H]2CCO[C@]3(CCOC3)C2)[nH+]1 ZINC000480450614 1075525071 /nfs/dbraw/zinc/52/50/71/1075525071.db2.gz VFBSKYOXSSLHRA-WOUAJJJCSA-N 1 2 405.499 1.680 20 0 HDADLO Cc1nc(N[C@H]2CCO[C@]3(CCOC3)C2)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)[nH+]1 ZINC000480450614 1075525073 /nfs/dbraw/zinc/52/50/73/1075525073.db2.gz VFBSKYOXSSLHRA-WOUAJJJCSA-N 1 2 405.499 1.680 20 0 HDADLO Cc1cccn2cc(CC(=O)N3CCO[C@@H](CN4C(=O)c5ccccc5C4=O)C3)[nH+]c12 ZINC000676380318 1075538782 /nfs/dbraw/zinc/53/87/82/1075538782.db2.gz NINJOGRPOOFJQU-QGZVFWFLSA-N 1 2 418.453 1.709 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NCc3ncccc3S(C)(=O)=O)c2)cc[nH+]1 ZINC000428030600 1075539144 /nfs/dbraw/zinc/53/91/44/1075539144.db2.gz ISUBSKAYCPTYLE-UHFFFAOYSA-N 1 2 411.487 2.126 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)[nH+]c12 ZINC000676453774 1075558988 /nfs/dbraw/zinc/55/89/88/1075558988.db2.gz WWXLJTYDVQEHCH-MRXNPFEDSA-N 1 2 405.458 1.544 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H](N2CCCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000466731411 1075564366 /nfs/dbraw/zinc/56/43/66/1075564366.db2.gz NKUYUQPXDFYKBP-RDJZCZTQSA-N 1 2 407.536 1.827 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000466731411 1075564371 /nfs/dbraw/zinc/56/43/71/1075564371.db2.gz NKUYUQPXDFYKBP-RDJZCZTQSA-N 1 2 407.536 1.827 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000466731411 1075564374 /nfs/dbraw/zinc/56/43/74/1075564374.db2.gz NKUYUQPXDFYKBP-RDJZCZTQSA-N 1 2 407.536 1.827 20 0 HDADLO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)CCO2 ZINC000676514978 1075575287 /nfs/dbraw/zinc/57/52/87/1075575287.db2.gz WYQYJXGRFDBUSB-LJQANCHMSA-N 1 2 419.522 1.594 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H]([NH+]2CCC(C(=O)N3CCCC3)CC2)C1=O ZINC000466733202 1075578713 /nfs/dbraw/zinc/57/87/13/1075578713.db2.gz QVYGJGITBCNEAD-MRXNPFEDSA-N 1 2 405.520 1.974 20 0 HDADLO C[C@@H]1c2ccc(F)cc2CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000676552248 1075584868 /nfs/dbraw/zinc/58/48/68/1075584868.db2.gz VGTBTSRMTVDSIW-OAHLLOKOSA-N 1 2 415.469 1.439 20 0 HDADLO CN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCc2ccccc21 ZINC000533320446 1075586367 /nfs/dbraw/zinc/58/63/67/1075586367.db2.gz VTNGKCKNQZUMRT-LJQANCHMSA-N 1 2 411.506 1.690 20 0 HDADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000676545917 1075591829 /nfs/dbraw/zinc/59/18/29/1075591829.db2.gz RHSVNWGDCJFJAM-UHFFFAOYSA-N 1 2 418.501 1.918 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000732057131 1075596729 /nfs/dbraw/zinc/59/67/29/1075596729.db2.gz CBAVYGITENEMKY-IBGZPJMESA-N 1 2 415.490 1.654 20 0 HDADLO Cn1cc(-c2ccc(NC(=O)N[C@@H](Cc3ccccc3)C[NH+]3CCOCC3)nn2)cn1 ZINC000433674231 1075598357 /nfs/dbraw/zinc/59/83/57/1075598357.db2.gz JRUCVYUOKSMOFH-IBGZPJMESA-N 1 2 421.505 1.942 20 0 HDADLO COc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)cc1 ZINC000472321342 1075618383 /nfs/dbraw/zinc/61/83/83/1075618383.db2.gz ZLTPAHIIVSFKTK-CQSZACIVSA-N 1 2 413.526 1.618 20 0 HDADLO CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676618884 1075618735 /nfs/dbraw/zinc/61/87/35/1075618735.db2.gz QURKBVHUQUXQAQ-KRWDZBQOSA-N 1 2 404.492 1.272 20 0 HDADLO Cc1cc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)c(C)c[nH+]1 ZINC000676621702 1075621068 /nfs/dbraw/zinc/62/10/68/1075621068.db2.gz DLJRECCVAZPRIH-IBGZPJMESA-N 1 2 419.503 1.833 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676640587 1075629922 /nfs/dbraw/zinc/62/99/22/1075629922.db2.gz KOIUYVRYPGDMQR-CQSZACIVSA-N 1 2 402.474 1.566 20 0 HDADLO COCCCNC(=O)C1CC[NH+]([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000497494896 1075632237 /nfs/dbraw/zinc/63/22/37/1075632237.db2.gz IXVKLDXMTQSDJC-OAHLLOKOSA-N 1 2 413.526 1.545 20 0 HDADLO CC(=O)N1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)Oc2ccccc21 ZINC000732164777 1075643048 /nfs/dbraw/zinc/64/30/48/1075643048.db2.gz CHLIYOGICJKORJ-OFNKIYASSA-N 1 2 423.513 1.860 20 0 HDADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCN(C)S(C)(=O)=O)c(C)c1 ZINC000676723634 1075659602 /nfs/dbraw/zinc/65/96/02/1075659602.db2.gz YDGMZVNIKOFGED-SFHVURJKSA-N 1 2 407.540 1.822 20 0 HDADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)NS(C)(=O)=O)c(C)c1 ZINC000676724212 1075660348 /nfs/dbraw/zinc/66/03/48/1075660348.db2.gz RLVSANFMEFCLAP-KRWDZBQOSA-N 1 2 407.540 1.868 20 0 HDADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000027544903 1075660703 /nfs/dbraw/zinc/66/07/03/1075660703.db2.gz MUGGGZGVYDKCOZ-UHFFFAOYSA-N 1 2 403.442 1.641 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000732206601 1075664436 /nfs/dbraw/zinc/66/44/36/1075664436.db2.gz HAXBMPPPIFEWIQ-LBPRGKRZSA-N 1 2 400.501 1.118 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000732206601 1075664437 /nfs/dbraw/zinc/66/44/37/1075664437.db2.gz HAXBMPPPIFEWIQ-LBPRGKRZSA-N 1 2 400.501 1.118 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000732207878 1075665048 /nfs/dbraw/zinc/66/50/48/1075665048.db2.gz PKYRBQADFRZOGL-LBPRGKRZSA-N 1 2 414.453 1.865 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000732207878 1075665050 /nfs/dbraw/zinc/66/50/50/1075665050.db2.gz PKYRBQADFRZOGL-LBPRGKRZSA-N 1 2 414.453 1.865 20 0 HDADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000732216742 1075671533 /nfs/dbraw/zinc/67/15/33/1075671533.db2.gz VTMXJYQJPDDRQR-UHFFFAOYSA-N 1 2 422.507 1.410 20 0 HDADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000732216742 1075671535 /nfs/dbraw/zinc/67/15/35/1075671535.db2.gz VTMXJYQJPDDRQR-UHFFFAOYSA-N 1 2 422.507 1.410 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000676738992 1075671558 /nfs/dbraw/zinc/67/15/58/1075671558.db2.gz KFEFJOHTSIRSMN-CZUORRHYSA-N 1 2 403.932 1.189 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000676738992 1075671560 /nfs/dbraw/zinc/67/15/60/1075671560.db2.gz KFEFJOHTSIRSMN-CZUORRHYSA-N 1 2 403.932 1.189 20 0 HDADLO CCOC(=O)Cc1cccc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000509432573 1075675412 /nfs/dbraw/zinc/67/54/12/1075675412.db2.gz RALHOUHMFUDHAR-GOSISDBHSA-N 1 2 410.536 1.525 20 0 HDADLO CNS(=O)(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000732228131 1075684063 /nfs/dbraw/zinc/68/40/63/1075684063.db2.gz JSPGPEOYUCRHKV-SFHVURJKSA-N 1 2 401.488 1.485 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1C ZINC000029159616 1075691610 /nfs/dbraw/zinc/69/16/10/1075691610.db2.gz JUXHKTXISVRUKF-UHFFFAOYSA-N 1 2 422.551 1.224 20 0 HDADLO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001084996099 1075695021 /nfs/dbraw/zinc/69/50/21/1075695021.db2.gz QDIYAZGICJIRTP-PJHRJCEYSA-N 1 2 402.495 1.421 20 0 HDADLO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)[C@H]2C1 ZINC001084996099 1075695023 /nfs/dbraw/zinc/69/50/23/1075695023.db2.gz QDIYAZGICJIRTP-PJHRJCEYSA-N 1 2 402.495 1.421 20 0 HDADLO CC(C)n1ncnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21 ZINC001084996231 1075695338 /nfs/dbraw/zinc/69/53/38/1075695338.db2.gz XBHJQNOEUDECFU-AISVETHESA-N 1 2 403.527 1.333 20 0 HDADLO CC(C)n1ncnc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]21 ZINC001084996231 1075695342 /nfs/dbraw/zinc/69/53/42/1075695342.db2.gz XBHJQNOEUDECFU-AISVETHESA-N 1 2 403.527 1.333 20 0 HDADLO O=C(CNC(=O)c1nnc2ccccc2c1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000732281489 1075697014 /nfs/dbraw/zinc/69/70/14/1075697014.db2.gz LPFOVXRETIMPNR-UHFFFAOYSA-N 1 2 405.458 1.410 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000490229460 1075704338 /nfs/dbraw/zinc/70/43/38/1075704338.db2.gz HBCSEAIVKXJPJL-MAUKXSAKSA-N 1 2 406.437 1.816 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000490229460 1075704345 /nfs/dbraw/zinc/70/43/45/1075704345.db2.gz HBCSEAIVKXJPJL-MAUKXSAKSA-N 1 2 406.437 1.816 20 0 HDADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543585072 1075705212 /nfs/dbraw/zinc/70/52/12/1075705212.db2.gz GJLYJMXOJKHKEW-UONOGXRCSA-N 1 2 408.480 1.373 20 0 HDADLO COc1cccc([C@@H]2[C@H](NC(=O)N[C@H]3CCCS(=O)(=O)C3)CC[N@@H+]2C2CC2)c1 ZINC000543686107 1075714220 /nfs/dbraw/zinc/71/42/20/1075714220.db2.gz VYIFNOWTYHMFSG-KFKAGJAMSA-N 1 2 407.536 1.849 20 0 HDADLO COc1cccc([C@@H]2[C@H](NC(=O)N[C@H]3CCCS(=O)(=O)C3)CC[N@H+]2C2CC2)c1 ZINC000543686107 1075714221 /nfs/dbraw/zinc/71/42/21/1075714221.db2.gz VYIFNOWTYHMFSG-KFKAGJAMSA-N 1 2 407.536 1.849 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)n1 ZINC000532753453 1075720384 /nfs/dbraw/zinc/72/03/84/1075720384.db2.gz SKKRSVOLYIUYDD-UHFFFAOYSA-N 1 2 423.443 1.818 20 0 HDADLO Nc1nc(NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)[nH+]c2ccccc12 ZINC000555775768 1075721076 /nfs/dbraw/zinc/72/10/76/1075721076.db2.gz SIPURHUUMOHJKW-MRXNPFEDSA-N 1 2 409.465 1.903 20 0 HDADLO Cn1nc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C1CC1 ZINC000582033046 1075729601 /nfs/dbraw/zinc/72/96/01/1075729601.db2.gz NJDNTTJMJXVUAF-QAPCUYQASA-N 1 2 403.433 2.076 20 0 HDADLO Cn1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C1CC1 ZINC000582033046 1075729606 /nfs/dbraw/zinc/72/96/06/1075729606.db2.gz NJDNTTJMJXVUAF-QAPCUYQASA-N 1 2 403.433 2.076 20 0 HDADLO O=C(Nc1ccc(-n2nccn2)nc1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732419546 1075733552 /nfs/dbraw/zinc/73/35/52/1075733552.db2.gz HKIBIMWMDPRHAU-IBGZPJMESA-N 1 2 407.478 1.727 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 ZINC000433821405 1075749028 /nfs/dbraw/zinc/74/90/28/1075749028.db2.gz HAVOKXIBFAXOIR-UHFFFAOYSA-N 1 2 410.482 2.537 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000524666005 1075757211 /nfs/dbraw/zinc/75/72/11/1075757211.db2.gz KZCYAKATWHEHIV-AWEZNQCLSA-N 1 2 409.494 1.898 20 0 HDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000645289457 1075761446 /nfs/dbraw/zinc/76/14/46/1075761446.db2.gz XKWBHWIRSGKLCT-GFCCVEGCSA-N 1 2 417.267 1.975 20 0 HDADLO Nc1nsc(N2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)n1 ZINC000469231596 1075771945 /nfs/dbraw/zinc/77/19/45/1075771945.db2.gz XECQTRUJVIDRDQ-JTQLQIEISA-N 1 2 404.323 1.989 20 0 HDADLO COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000142142069 1075774945 /nfs/dbraw/zinc/77/49/45/1075774945.db2.gz QAANPONDLQDKDD-QGZVFWFLSA-N 1 2 406.483 1.301 20 0 HDADLO C[C@H](Cc1ccccc1)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000732585792 1075795565 /nfs/dbraw/zinc/79/55/65/1075795565.db2.gz YYOINCHTTWGJDW-MRXNPFEDSA-N 1 2 422.489 1.434 20 0 HDADLO CC(C)(CO)[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000437777493 1075798165 /nfs/dbraw/zinc/79/81/65/1075798165.db2.gz RPZSTFJMJRUKNH-LJQANCHMSA-N 1 2 415.538 2.139 20 0 HDADLO CCc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1CC ZINC000487883430 1075805209 /nfs/dbraw/zinc/80/52/09/1075805209.db2.gz RYQGTERUSASSDF-UHFFFAOYSA-N 1 2 414.550 1.907 20 0 HDADLO CCc1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1CC ZINC000487883430 1075805216 /nfs/dbraw/zinc/80/52/16/1075805216.db2.gz RYQGTERUSASSDF-UHFFFAOYSA-N 1 2 414.550 1.907 20 0 HDADLO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000611038362 1075818605 /nfs/dbraw/zinc/81/86/05/1075818605.db2.gz QKTRWKVFOIPEJL-ULQDDVLXSA-N 1 2 402.557 1.466 20 0 HDADLO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000611038362 1075818608 /nfs/dbraw/zinc/81/86/08/1075818608.db2.gz QKTRWKVFOIPEJL-ULQDDVLXSA-N 1 2 402.557 1.466 20 0 HDADLO COC(=O)c1ccccc1-n1ncc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1=O ZINC000611103854 1075835978 /nfs/dbraw/zinc/83/59/78/1075835978.db2.gz FQEZKELPNKLVQU-CQSZACIVSA-N 1 2 418.881 1.583 20 0 HDADLO COC(=O)c1ccccc1-n1ncc(N2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1=O ZINC000611103851 1075836096 /nfs/dbraw/zinc/83/60/96/1075836096.db2.gz FQEZKELPNKLVQU-AWEZNQCLSA-N 1 2 418.881 1.583 20 0 HDADLO CCOC(=O)Cn1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000611095716 1075840688 /nfs/dbraw/zinc/84/06/88/1075840688.db2.gz JWOOYAHFJBAVLS-UHFFFAOYSA-N 1 2 404.492 1.823 20 0 HDADLO CSc1cccc(N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C2CC[NH+](C)CC2)c1 ZINC000732741964 1075842958 /nfs/dbraw/zinc/84/29/58/1075842958.db2.gz UUNHTLMNCNTMRB-UHFFFAOYSA-N 1 2 412.519 1.921 20 0 HDADLO O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732798231 1075860920 /nfs/dbraw/zinc/86/09/20/1075860920.db2.gz LKHRMMPNAHODHH-AUSIDOKSSA-N 1 2 410.518 1.900 20 0 HDADLO O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732798231 1075860927 /nfs/dbraw/zinc/86/09/27/1075860927.db2.gz LKHRMMPNAHODHH-AUSIDOKSSA-N 1 2 410.518 1.900 20 0 HDADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(OC)c1 ZINC000732807704 1075862104 /nfs/dbraw/zinc/86/21/04/1075862104.db2.gz UFKMSIAOYKYFEP-MRXNPFEDSA-N 1 2 419.522 1.806 20 0 HDADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(OC)c1 ZINC000732807704 1075862110 /nfs/dbraw/zinc/86/21/10/1075862110.db2.gz UFKMSIAOYKYFEP-MRXNPFEDSA-N 1 2 419.522 1.806 20 0 HDADLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732786332 1075868778 /nfs/dbraw/zinc/86/87/78/1075868778.db2.gz KNUHSBRUDFAQIV-AWEZNQCLSA-N 1 2 401.433 1.254 20 0 HDADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732810668 1075872332 /nfs/dbraw/zinc/87/23/32/1075872332.db2.gz NVLMDBJIQJBXFX-ZBFHGGJFSA-N 1 2 401.429 1.974 20 0 HDADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732810668 1075872334 /nfs/dbraw/zinc/87/23/34/1075872334.db2.gz NVLMDBJIQJBXFX-ZBFHGGJFSA-N 1 2 401.429 1.974 20 0 HDADLO CCOCCCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911811 1075910030 /nfs/dbraw/zinc/91/00/30/1075910030.db2.gz GKGXYTXACQPNTB-INIZCTEOSA-N 1 2 408.572 1.173 20 0 HDADLO CCOCCCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911811 1075910034 /nfs/dbraw/zinc/91/00/34/1075910034.db2.gz GKGXYTXACQPNTB-INIZCTEOSA-N 1 2 408.572 1.173 20 0 HDADLO Nc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc(Cl)n1 ZINC000732915258 1075911877 /nfs/dbraw/zinc/91/18/77/1075911877.db2.gz CPRFJSCEEYPOSW-AWEZNQCLSA-N 1 2 417.901 1.343 20 0 HDADLO Nc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc(Cl)n1 ZINC000732915258 1075911879 /nfs/dbraw/zinc/91/18/79/1075911879.db2.gz CPRFJSCEEYPOSW-AWEZNQCLSA-N 1 2 417.901 1.343 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc(Cl)nc1 ZINC000732914938 1075912557 /nfs/dbraw/zinc/91/25/57/1075912557.db2.gz APOQXORMIKAXRA-OAHLLOKOSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)nc1 ZINC000732914938 1075912561 /nfs/dbraw/zinc/91/25/61/1075912561.db2.gz APOQXORMIKAXRA-OAHLLOKOSA-N 1 2 402.886 1.760 20 0 HDADLO CCCCCCOCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916433 1075912840 /nfs/dbraw/zinc/91/28/40/1075912840.db2.gz QVTGREIKUSBZFC-GOSISDBHSA-N 1 2 405.543 1.995 20 0 HDADLO CCCCCCOCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916433 1075912843 /nfs/dbraw/zinc/91/28/43/1075912843.db2.gz QVTGREIKUSBZFC-GOSISDBHSA-N 1 2 405.543 1.995 20 0 HDADLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1 ZINC000732979333 1075935379 /nfs/dbraw/zinc/93/53/79/1075935379.db2.gz MYOWFTPLSANFAD-HNNXBMFYSA-N 1 2 406.527 1.942 20 0 HDADLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1 ZINC000732979333 1075935381 /nfs/dbraw/zinc/93/53/81/1075935381.db2.gz MYOWFTPLSANFAD-HNNXBMFYSA-N 1 2 406.527 1.942 20 0 HDADLO CCc1ccc(N)c(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000733014829 1075950009 /nfs/dbraw/zinc/95/00/09/1075950009.db2.gz BVLGRSVGDCTJSE-UHFFFAOYSA-N 1 2 423.477 1.014 20 0 HDADLO NS(=O)(=O)c1cccnc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000733075177 1075965646 /nfs/dbraw/zinc/96/56/46/1075965646.db2.gz DEQWGYCVISLNMQ-UHFFFAOYSA-N 1 2 416.425 1.950 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1F ZINC001080163442 1075984040 /nfs/dbraw/zinc/98/40/40/1075984040.db2.gz HLIKVIPUIWTUGL-MBSHIUBNSA-N 1 2 401.482 1.933 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1F ZINC001080163442 1075984045 /nfs/dbraw/zinc/98/40/45/1075984045.db2.gz HLIKVIPUIWTUGL-MBSHIUBNSA-N 1 2 401.482 1.933 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000733156687 1075989493 /nfs/dbraw/zinc/98/94/93/1075989493.db2.gz IKZCNRNOVPPDNN-LJQANCHMSA-N 1 2 422.476 1.861 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000733156687 1075989498 /nfs/dbraw/zinc/98/94/98/1075989498.db2.gz IKZCNRNOVPPDNN-LJQANCHMSA-N 1 2 422.476 1.861 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000733162555 1075996036 /nfs/dbraw/zinc/99/60/36/1075996036.db2.gz ZJYTWTHUWYPWSQ-KRWDZBQOSA-N 1 2 408.543 1.543 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000733162555 1075996039 /nfs/dbraw/zinc/99/60/39/1075996039.db2.gz ZJYTWTHUWYPWSQ-KRWDZBQOSA-N 1 2 408.543 1.543 20 0 HDADLO CN(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2ccccc2)n1 ZINC001081148446 1076002782 /nfs/dbraw/zinc/00/27/82/1076002782.db2.gz KDTSCFOAPGWZOH-BHQCHZOVSA-N 1 2 423.517 1.643 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000494913874 1076003770 /nfs/dbraw/zinc/00/37/70/1076003770.db2.gz BQCUNHMYBCZTEQ-NHCUHLMSSA-N 1 2 416.543 1.844 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000494913874 1076003772 /nfs/dbraw/zinc/00/37/72/1076003772.db2.gz BQCUNHMYBCZTEQ-NHCUHLMSSA-N 1 2 416.543 1.844 20 0 HDADLO Cn1nc(Br)c2c1ncn(CC(=O)N1CCC(c3[nH]cc[nH+]3)CC1)c2=O ZINC000727105039 1076051957 /nfs/dbraw/zinc/05/19/57/1076051957.db2.gz ZPYDXOIXMPLFGQ-UHFFFAOYSA-N 1 2 420.271 1.022 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000727106273 1076052524 /nfs/dbraw/zinc/05/25/24/1076052524.db2.gz PLXGEHDQURTMIH-UHFFFAOYSA-N 1 2 404.536 1.999 20 0 HDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1nn(C)cc1Br ZINC001082652114 1076061295 /nfs/dbraw/zinc/06/12/95/1076061295.db2.gz GBXHAPBXGHOTHC-HPUSREINSA-N 1 2 409.328 1.543 20 0 HDADLO CC(C)Cn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1=S ZINC000727166869 1076066849 /nfs/dbraw/zinc/06/68/49/1076066849.db2.gz BGGFYQYGHPBRRA-INIZCTEOSA-N 1 2 410.588 1.842 20 0 HDADLO CC(C)Cn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1=S ZINC000727166869 1076066854 /nfs/dbraw/zinc/06/68/54/1076066854.db2.gz BGGFYQYGHPBRRA-INIZCTEOSA-N 1 2 410.588 1.842 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)NC(=O)N[C@H]1c1ccco1 ZINC000727158234 1076071415 /nfs/dbraw/zinc/07/14/15/1076071415.db2.gz IMEBIWZGZPRVFY-UGSOOPFHSA-N 1 2 404.467 1.428 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)NC(=O)N[C@H]1c1ccco1 ZINC000727158234 1076071421 /nfs/dbraw/zinc/07/14/21/1076071421.db2.gz IMEBIWZGZPRVFY-UGSOOPFHSA-N 1 2 404.467 1.428 20 0 HDADLO Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000727436782 1076119366 /nfs/dbraw/zinc/11/93/66/1076119366.db2.gz KTYBTGNZHFMBAG-IBGZPJMESA-N 1 2 406.504 1.919 20 0 HDADLO O=Cc1cccc(OCC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000733596250 1076121166 /nfs/dbraw/zinc/12/11/66/1076121166.db2.gz VTRMPMLLSOCYQT-UHFFFAOYSA-N 1 2 412.442 1.892 20 0 HDADLO COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000727495030 1076137521 /nfs/dbraw/zinc/13/75/21/1076137521.db2.gz UJBVGYFQISXFQT-KRWDZBQOSA-N 1 2 408.524 1.653 20 0 HDADLO CO[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C(F)(F)F ZINC000733672920 1076155467 /nfs/dbraw/zinc/15/54/67/1076155467.db2.gz APANVIGNRIRZIX-OAHLLOKOSA-N 1 2 402.417 1.066 20 0 HDADLO CO[C@@H](CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC000733673908 1076156890 /nfs/dbraw/zinc/15/68/90/1076156890.db2.gz KOQPWUOSBQQBCC-DOMZBBRYSA-N 1 2 403.401 1.712 20 0 HDADLO CO[C@H](CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC000733673910 1076157037 /nfs/dbraw/zinc/15/70/37/1076157037.db2.gz KOQPWUOSBQQBCC-SWLSCSKDSA-N 1 2 403.401 1.712 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000727739554 1076214951 /nfs/dbraw/zinc/21/49/51/1076214951.db2.gz YKIVCDCWYUWJFE-LHSJRXKWSA-N 1 2 411.462 1.592 20 0 HDADLO CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2S1(=O)=O ZINC000727739516 1076215373 /nfs/dbraw/zinc/21/53/73/1076215373.db2.gz XIPCZCNZTJRGGL-AWEZNQCLSA-N 1 2 402.476 1.982 20 0 HDADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1C ZINC000530538720 1076236539 /nfs/dbraw/zinc/23/65/39/1076236539.db2.gz VVLUOYJFYOUEET-KRWDZBQOSA-N 1 2 409.533 1.368 20 0 HDADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1C ZINC000530538720 1076236546 /nfs/dbraw/zinc/23/65/46/1076236546.db2.gz VVLUOYJFYOUEET-KRWDZBQOSA-N 1 2 409.533 1.368 20 0 HDADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000533827476 1076244624 /nfs/dbraw/zinc/24/46/24/1076244624.db2.gz CTUOKBLOGYFGHE-KUHUBIRLSA-N 1 2 410.474 1.901 20 0 HDADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000533827476 1076244628 /nfs/dbraw/zinc/24/46/28/1076244628.db2.gz CTUOKBLOGYFGHE-KUHUBIRLSA-N 1 2 410.474 1.901 20 0 HDADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000533827474 1076244878 /nfs/dbraw/zinc/24/48/78/1076244878.db2.gz CTUOKBLOGYFGHE-IFXJQAMLSA-N 1 2 410.474 1.901 20 0 HDADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000533827474 1076244880 /nfs/dbraw/zinc/24/48/80/1076244880.db2.gz CTUOKBLOGYFGHE-IFXJQAMLSA-N 1 2 410.474 1.901 20 0 HDADLO Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000534327546 1076247140 /nfs/dbraw/zinc/24/71/40/1076247140.db2.gz FNLVPPNHPMMMDP-RTBURBONSA-N 1 2 411.506 1.879 20 0 HDADLO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000534541726 1076248508 /nfs/dbraw/zinc/24/85/08/1076248508.db2.gz VZMOINYASDBHED-IBGZPJMESA-N 1 2 417.469 1.893 20 0 HDADLO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000534541726 1076248511 /nfs/dbraw/zinc/24/85/11/1076248511.db2.gz VZMOINYASDBHED-IBGZPJMESA-N 1 2 417.469 1.893 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534840225 1076249627 /nfs/dbraw/zinc/24/96/27/1076249627.db2.gz DVRRKOKLLVBCBC-WOJBJXKFSA-N 1 2 402.516 1.596 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534840225 1076249632 /nfs/dbraw/zinc/24/96/32/1076249632.db2.gz DVRRKOKLLVBCBC-WOJBJXKFSA-N 1 2 402.516 1.596 20 0 HDADLO CCc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1S(N)(=O)=O ZINC000535267345 1076250987 /nfs/dbraw/zinc/25/09/87/1076250987.db2.gz BNYKBHDVFQDUDW-KRWDZBQOSA-N 1 2 416.503 1.138 20 0 HDADLO CCc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1S(N)(=O)=O ZINC000535267345 1076250992 /nfs/dbraw/zinc/25/09/92/1076250992.db2.gz BNYKBHDVFQDUDW-KRWDZBQOSA-N 1 2 416.503 1.138 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000144125706 1076253014 /nfs/dbraw/zinc/25/30/14/1076253014.db2.gz JHNLAVXXMAFJSM-KRWDZBQOSA-N 1 2 404.492 1.001 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1 ZINC000536071139 1076255341 /nfs/dbraw/zinc/25/53/41/1076255341.db2.gz PDUWATZOZOQSNA-IBGZPJMESA-N 1 2 417.473 1.916 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1 ZINC000536071139 1076255345 /nfs/dbraw/zinc/25/53/45/1076255345.db2.gz PDUWATZOZOQSNA-IBGZPJMESA-N 1 2 417.473 1.916 20 0 HDADLO CCC(CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709539 1076257619 /nfs/dbraw/zinc/25/76/19/1076257619.db2.gz WOXUFACZUUDWQU-YENHRIDLSA-N 1 2 403.567 1.981 20 0 HDADLO CCC(CC)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065713145 1076257886 /nfs/dbraw/zinc/25/78/86/1076257886.db2.gz MSBXSQQMJZCNHK-NHHWGVFUSA-N 1 2 403.567 1.981 20 0 HDADLO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000727859907 1076275200 /nfs/dbraw/zinc/27/52/00/1076275200.db2.gz IFVIFRPSFVBVAM-CYBMUJFWSA-N 1 2 419.341 1.693 20 0 HDADLO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000727859907 1076275203 /nfs/dbraw/zinc/27/52/03/1076275203.db2.gz IFVIFRPSFVBVAM-CYBMUJFWSA-N 1 2 419.341 1.693 20 0 HDADLO COCCN1C(=O)c2ccc(C(=O)Nc3ccc4[nH+]ccn4c3)cc2S1(=O)=O ZINC000733968366 1076278645 /nfs/dbraw/zinc/27/86/45/1076278645.db2.gz TUEHARNTRBCRCR-UHFFFAOYSA-N 1 2 400.416 1.378 20 0 HDADLO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733985829 1076283718 /nfs/dbraw/zinc/28/37/18/1076283718.db2.gz NAVZTUSFNLOSFZ-QCSXQHJISA-N 1 2 420.560 1.978 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000728032629 1076303571 /nfs/dbraw/zinc/30/35/71/1076303571.db2.gz ZLYGLZMQVFIVCQ-UHFFFAOYSA-N 1 2 410.478 1.355 20 0 HDADLO CCCc1nc(C)c(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)o1 ZINC001083147891 1076304483 /nfs/dbraw/zinc/30/44/83/1076304483.db2.gz JYVXEDUNCDIMBU-CGQHUNDOSA-N 1 2 401.507 1.771 20 0 HDADLO CCCc1nc(C)c(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)o1 ZINC001083147891 1076304486 /nfs/dbraw/zinc/30/44/86/1076304486.db2.gz JYVXEDUNCDIMBU-CGQHUNDOSA-N 1 2 401.507 1.771 20 0 HDADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000728022216 1076307132 /nfs/dbraw/zinc/30/71/32/1076307132.db2.gz NCQNTTAGPGFXNI-SUSZBXMKSA-N 1 2 413.609 1.568 20 0 HDADLO COc1ccccc1C[NH+]1CCN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000728050785 1076319491 /nfs/dbraw/zinc/31/94/91/1076319491.db2.gz UVGBKAHTQJLMGH-UHFFFAOYSA-N 1 2 422.485 1.761 20 0 HDADLO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](Cc2ccco2)CC1 ZINC000023467051 1076343505 /nfs/dbraw/zinc/34/35/05/1076343505.db2.gz BZOQDPOROPUKLQ-CYBMUJFWSA-N 1 2 424.423 1.958 20 0 HDADLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000027382870 1076360081 /nfs/dbraw/zinc/36/00/81/1076360081.db2.gz ZUAXGLQXFNMPSQ-INIZCTEOSA-N 1 2 402.520 1.792 20 0 HDADLO Cc1cccc(N2CC[NH+](CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)c1 ZINC000029640128 1076362977 /nfs/dbraw/zinc/36/29/77/1076362977.db2.gz PUXVPTKQEAXQDE-UHFFFAOYSA-N 1 2 415.582 1.176 20 0 HDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030593959 1076371103 /nfs/dbraw/zinc/37/11/03/1076371103.db2.gz LBWKHJLAYNEJFF-NVXWUHKLSA-N 1 2 413.515 1.158 20 0 HDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030593959 1076371119 /nfs/dbraw/zinc/37/11/19/1076371119.db2.gz LBWKHJLAYNEJFF-NVXWUHKLSA-N 1 2 413.515 1.158 20 0 HDADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cn2nnn(C3CCOCC3)c2=S)CC1 ZINC000729980933 1076405607 /nfs/dbraw/zinc/40/56/07/1076405607.db2.gz DLRGPEOQICNUGY-MRXNPFEDSA-N 1 2 423.587 1.137 20 0 HDADLO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CC[NH+](Cc3cnn(C)c3)CC1)C2=O ZINC000729987145 1076408179 /nfs/dbraw/zinc/40/81/79/1076408179.db2.gz UABCCLZXWJKJFP-KKSFZXQISA-N 1 2 402.543 1.632 20 0 HDADLO Cn1cc(C[NH+]2CCN(Cn3ncc4cn(-c5ccccc5)nc4c3=O)CC2)cn1 ZINC000729988226 1076408809 /nfs/dbraw/zinc/40/88/09/1076408809.db2.gz FJRQKCNBIADTBQ-UHFFFAOYSA-N 1 2 404.478 1.091 20 0 HDADLO Cn1cc(C[NH+]2CCN(Cn3nc4n(c3=S)c3ccccc3c(=O)n4C)CC2)cn1 ZINC000729989379 1076409492 /nfs/dbraw/zinc/40/94/92/1076409492.db2.gz VEXUVEIGKFINPH-UHFFFAOYSA-N 1 2 424.534 1.226 20 0 HDADLO CC(=O)c1ccc(N2CCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)c(F)c1 ZINC000730134223 1076460382 /nfs/dbraw/zinc/46/03/82/1076460382.db2.gz SVFWILWDDXOKDC-MRXNPFEDSA-N 1 2 405.518 1.496 20 0 HDADLO CCOC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000730252077 1076496986 /nfs/dbraw/zinc/49/69/86/1076496986.db2.gz MAIGWVNEZDMZCE-KKSFZXQISA-N 1 2 403.479 1.781 20 0 HDADLO CCOC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000730252077 1076496989 /nfs/dbraw/zinc/49/69/89/1076496989.db2.gz MAIGWVNEZDMZCE-KKSFZXQISA-N 1 2 403.479 1.781 20 0 HDADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000730570310 1076604929 /nfs/dbraw/zinc/60/49/29/1076604929.db2.gz GZNKVSJFCIAFBE-MRXNPFEDSA-N 1 2 409.556 1.121 20 0 HDADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000730570310 1076604938 /nfs/dbraw/zinc/60/49/38/1076604938.db2.gz GZNKVSJFCIAFBE-MRXNPFEDSA-N 1 2 409.556 1.121 20 0 HDADLO CCN(c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1)C(C)C ZINC000730571969 1076606223 /nfs/dbraw/zinc/60/62/23/1076606223.db2.gz ZRNFMXBBQNTYCQ-MRXNPFEDSA-N 1 2 411.572 1.365 20 0 HDADLO CCN(c1ccc(NC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1)C(C)C ZINC000730571969 1076606229 /nfs/dbraw/zinc/60/62/29/1076606229.db2.gz ZRNFMXBBQNTYCQ-MRXNPFEDSA-N 1 2 411.572 1.365 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(OC(C)C)CC3)C2=O)cc1 ZINC000730570555 1076606432 /nfs/dbraw/zinc/60/64/32/1076606432.db2.gz MSYZKWVWXIQJLK-OAQYLSRUSA-N 1 2 418.494 1.383 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CCOC)C3)cc2[nH]c1=S ZINC000730785479 1076656866 /nfs/dbraw/zinc/65/68/66/1076656866.db2.gz BREGENYHKZIELJ-OAHLLOKOSA-N 1 2 420.535 1.172 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)cc2[nH]c1=S ZINC000730785479 1076656867 /nfs/dbraw/zinc/65/68/67/1076656867.db2.gz BREGENYHKZIELJ-OAHLLOKOSA-N 1 2 420.535 1.172 20 0 HDADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)C1 ZINC000731215022 1076748933 /nfs/dbraw/zinc/74/89/33/1076748933.db2.gz ZZHQSAXDWQLLHP-IEBWSBKVSA-N 1 2 402.539 1.363 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(=O)OC)cc(Cl)n3)CC2)C1=O ZINC001164633705 719268407 /nfs/dbraw/zinc/26/84/07/719268407.db2.gz HANZHHAJKBEKJU-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(=O)OC)cc(Cl)n3)CC2)C1=O ZINC001164633705 719268410 /nfs/dbraw/zinc/26/84/10/719268410.db2.gz HANZHHAJKBEKJU-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)ncc1C ZINC001164641203 719275797 /nfs/dbraw/zinc/27/57/97/719275797.db2.gz UHKBKQFRHCUFPW-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)ncc1C ZINC001164641203 719275802 /nfs/dbraw/zinc/27/58/02/719275802.db2.gz UHKBKQFRHCUFPW-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc[nH]c4nc(=S)sc3-4)CC2)C1=O ZINC001164641054 719278900 /nfs/dbraw/zinc/27/89/00/719278900.db2.gz RUVINSHNPMEWOX-UHFFFAOYSA-N 1 2 408.553 1.134 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc[nH]c4nc(=S)sc3-4)CC2)C1=O ZINC001164641054 719278901 /nfs/dbraw/zinc/27/89/01/719278901.db2.gz RUVINSHNPMEWOX-UHFFFAOYSA-N 1 2 408.553 1.134 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4c(nc3Cl)CCCC4)CC2)C1=O ZINC001164644653 719285201 /nfs/dbraw/zinc/28/52/01/719285201.db2.gz OHTHHIRUEKCNRO-UHFFFAOYSA-N 1 2 407.946 1.768 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4c(nc3Cl)CCCC4)CC2)C1=O ZINC001164644653 719285203 /nfs/dbraw/zinc/28/52/03/719285203.db2.gz OHTHHIRUEKCNRO-UHFFFAOYSA-N 1 2 407.946 1.768 20 0 HDADLO CCCN(CCC)c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)nc[nH+]1 ZINC001164677769 719582367 /nfs/dbraw/zinc/58/23/67/719582367.db2.gz CRQYGYISUHZXMU-UHFFFAOYSA-N 1 2 400.531 1.547 20 0 HDADLO CCCN(CCC)c1cc(N2CCn3c(CN4CCOCC4)nnc3C2)[nH+]cn1 ZINC001164677769 719582377 /nfs/dbraw/zinc/58/23/77/719582377.db2.gz CRQYGYISUHZXMU-UHFFFAOYSA-N 1 2 400.531 1.547 20 0 HDADLO CCOC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C ZINC001164702052 719838222 /nfs/dbraw/zinc/83/82/22/719838222.db2.gz NMZDLJUKRYUUFV-KKSFZXQISA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccnc21 ZINC001164700468 719846083 /nfs/dbraw/zinc/84/60/83/719846083.db2.gz KVOBZYXXXMUYHV-BFUOFWGJSA-N 1 2 405.886 1.911 20 0 HDADLO CCOC(=O)c1cc(C)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164700421 719847839 /nfs/dbraw/zinc/84/78/39/719847839.db2.gz KLGLDBGOLJGIDH-YWZLYKJASA-N 1 2 406.483 1.194 20 0 HDADLO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164704034 719855204 /nfs/dbraw/zinc/85/52/04/719855204.db2.gz QPKWPQNRCKSAHO-IIBYNOLFSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1[C@@H](C)CC(=O)N2 ZINC001164700070 719855809 /nfs/dbraw/zinc/85/58/09/719855809.db2.gz GAWOKHHQBJSVFQ-MNVSYLFESA-N 1 2 403.483 1.155 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CC2)cn1 ZINC001164704636 719857345 /nfs/dbraw/zinc/85/73/45/719857345.db2.gz SCLJQOTZGURDCS-DYESRHJHSA-N 1 2 402.495 1.207 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)nc(N(C)C)n1 ZINC001164702483 719859691 /nfs/dbraw/zinc/85/96/91/719859691.db2.gz NKLCIMRACPYQGU-YWZLYKJASA-N 1 2 406.531 1.294 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2cccnc2F)n1 ZINC001164706797 719862239 /nfs/dbraw/zinc/86/22/39/719862239.db2.gz YYHMQETVZTWLQV-QVKFZJNVSA-N 1 2 415.469 1.910 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(N2CCOCC2)n1 ZINC001164698723 719863111 /nfs/dbraw/zinc/86/31/11/719863111.db2.gz DCIGFPNYYWBQEI-UTKZUKDTSA-N 1 2 404.511 1.151 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C(=O)N(C)OC ZINC001164702373 719863439 /nfs/dbraw/zinc/86/34/39/719863439.db2.gz IPYGDNGSSGEZFO-IIBYNOLFSA-N 1 2 420.510 1.256 20 0 HDADLO CCOCc1cnc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164699258 719865204 /nfs/dbraw/zinc/86/52/04/719865204.db2.gz BJLBTBVEOOSDPP-HNAYVOBHSA-N 1 2 412.918 1.899 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1nc(C)n2C ZINC001164705021 719866557 /nfs/dbraw/zinc/86/65/57/719866557.db2.gz NBIIIZJXLCQWMV-BFUOFWGJSA-N 1 2 422.917 1.558 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CCCCC2)n1 ZINC001164707412 719866852 /nfs/dbraw/zinc/86/68/52/719866852.db2.gz SEIXBCQRCJQYGC-LAUBAEHRSA-N 1 2 403.527 1.700 20 0 HDADLO CCCNC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164699092 719869356 /nfs/dbraw/zinc/86/93/56/719869356.db2.gz ADEMLVZKBKNQNT-UTKZUKDTSA-N 1 2 404.511 1.454 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCC[C@H](C)C2)ncn1 ZINC001164702941 719873818 /nfs/dbraw/zinc/87/38/18/719873818.db2.gz JIGKUTDLODBZEM-SPEDKVCISA-N 1 2 417.554 1.946 20 0 HDADLO COCCOC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164707791 719877239 /nfs/dbraw/zinc/87/72/39/719877239.db2.gz VKYRCJIWDXABDQ-DYESRHJHSA-N 1 2 421.494 1.118 20 0 HDADLO CCOC(=O)Cc1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164700786 719879139 /nfs/dbraw/zinc/87/91/39/719879139.db2.gz LLEZPGXCCDYWSJ-UWJYYQICSA-N 1 2 405.495 1.420 20 0 HDADLO Cc1cnc2c(ccnc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708064 719931450 /nfs/dbraw/zinc/93/14/50/719931450.db2.gz BDYHPIXVUNSACU-UHFFFAOYSA-N 1 2 406.494 1.017 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccncc3)nn1)CC2 ZINC001164708834 719932322 /nfs/dbraw/zinc/93/23/22/719932322.db2.gz UCHZOBLQLRTQOE-UHFFFAOYSA-N 1 2 418.505 1.222 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(C)cc(Cl)n3)C2)C1 ZINC001164720306 720214553 /nfs/dbraw/zinc/21/45/53/720214553.db2.gz YBPVIFZYVBDQRY-KRWDZBQOSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(C)cc(Cl)n3)C2)C1 ZINC001164720306 720214556 /nfs/dbraw/zinc/21/45/56/720214556.db2.gz YBPVIFZYVBDQRY-KRWDZBQOSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164720107 720233369 /nfs/dbraw/zinc/23/33/69/720233369.db2.gz WACDVIKWXYODIL-ZWKOTPCHSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3ccnc(Cl)c3)C2)C1 ZINC001164720107 720233378 /nfs/dbraw/zinc/23/33/78/720233378.db2.gz WACDVIKWXYODIL-ZWKOTPCHSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164717502 720251256 /nfs/dbraw/zinc/25/12/56/720251256.db2.gz AAPYZVKGXPSLPZ-MSOLQXFVSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164717502 720251267 /nfs/dbraw/zinc/25/12/67/720251267.db2.gz AAPYZVKGXPSLPZ-MSOLQXFVSA-N 1 2 400.882 1.527 20 0 HDADLO CSc1nc(C)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822478 720429321 /nfs/dbraw/zinc/42/93/21/720429321.db2.gz CEQVPMDKIRUYID-INIZCTEOSA-N 1 2 418.567 1.693 20 0 HDADLO COC(=O)c1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828553 720431420 /nfs/dbraw/zinc/43/14/20/720431420.db2.gz XFHARMRWMDHDHQ-INIZCTEOSA-N 1 2 415.494 1.054 20 0 HDADLO Cn1cnc2c1ccnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824705 720437479 /nfs/dbraw/zinc/43/74/79/720437479.db2.gz PQETVROWEAZCBZ-MRXNPFEDSA-N 1 2 411.510 1.154 20 0 HDADLO CCOc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825687 720445434 /nfs/dbraw/zinc/44/54/34/720445434.db2.gz UIEPRPACAQLBDS-INIZCTEOSA-N 1 2 402.499 1.061 20 0 HDADLO CCOc1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824675 720445625 /nfs/dbraw/zinc/44/56/25/720445625.db2.gz PDKYANLPXBJJHH-KRWDZBQOSA-N 1 2 401.511 1.666 20 0 HDADLO COCOc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164827150 720454296 /nfs/dbraw/zinc/45/42/96/720454296.db2.gz ZHXIJSUIYPPYBS-QGZVFWFLSA-N 1 2 417.510 1.250 20 0 HDADLO CCOc1nccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831504 720477136 /nfs/dbraw/zinc/47/71/36/720477136.db2.gz GYAJIKSIQOFKKX-MRXNPFEDSA-N 1 2 402.499 1.061 20 0 HDADLO CCc1cc(Cl)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164834550 720479333 /nfs/dbraw/zinc/47/93/33/720479333.db2.gz UITQEKVWHOYCCE-OAHLLOKOSA-N 1 2 420.945 1.879 20 0 HDADLO CCCc1nccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164834802 720482952 /nfs/dbraw/zinc/48/29/52/720482952.db2.gz VDEKGAFUWDSHEA-QGZVFWFLSA-N 1 2 400.527 1.615 20 0 HDADLO COC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164913649 721775323 /nfs/dbraw/zinc/77/53/23/721775323.db2.gz ZICOCNMGRJLFOB-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164913649 721775330 /nfs/dbraw/zinc/77/53/30/721775330.db2.gz ZICOCNMGRJLFOB-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO CCNC(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914135 721788930 /nfs/dbraw/zinc/78/89/30/721788930.db2.gz CAFROZKMERJKBB-JOCHJYFZSA-N 1 2 411.506 1.334 20 0 HDADLO CCNC(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914135 721788934 /nfs/dbraw/zinc/78/89/34/721788934.db2.gz CAFROZKMERJKBB-JOCHJYFZSA-N 1 2 411.506 1.334 20 0 HDADLO CCNC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914682 721793056 /nfs/dbraw/zinc/79/30/56/721793056.db2.gz QBRRCEXGBGTBJP-JOCHJYFZSA-N 1 2 411.506 1.334 20 0 HDADLO CCNC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914682 721793059 /nfs/dbraw/zinc/79/30/59/721793059.db2.gz QBRRCEXGBGTBJP-JOCHJYFZSA-N 1 2 411.506 1.334 20 0 HDADLO c1ncn(Cc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)n1 ZINC001164915258 721794897 /nfs/dbraw/zinc/79/48/97/721794897.db2.gz UXVHCPNCMDRQMI-JOCHJYFZSA-N 1 2 421.505 1.224 20 0 HDADLO c1ncn(Cc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)n1 ZINC001164915258 721794899 /nfs/dbraw/zinc/79/48/99/721794899.db2.gz UXVHCPNCMDRQMI-JOCHJYFZSA-N 1 2 421.505 1.224 20 0 HDADLO NC(=S)Nc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913253 721798554 /nfs/dbraw/zinc/79/85/54/721798554.db2.gz CFFBKGGQIWQJKH-HXUWFJFHSA-N 1 2 414.535 1.240 20 0 HDADLO NC(=S)Nc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913253 721798556 /nfs/dbraw/zinc/79/85/56/721798556.db2.gz CFFBKGGQIWQJKH-HXUWFJFHSA-N 1 2 414.535 1.240 20 0 HDADLO NC(=O)c1ccnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913170 721799168 /nfs/dbraw/zinc/79/91/68/721799168.db2.gz AGTRMIVSABNSHD-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1ccnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913170 721799170 /nfs/dbraw/zinc/79/91/70/721799170.db2.gz AGTRMIVSABNSHD-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO COC(=O)c1cc(F)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945068 721969257 /nfs/dbraw/zinc/96/92/57/721969257.db2.gz OFTVHIWEJIHRLO-UHFFFAOYSA-N 1 2 412.465 1.978 20 0 HDADLO COC(=O)c1cc(F)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945068 721969258 /nfs/dbraw/zinc/96/92/58/721969258.db2.gz OFTVHIWEJIHRLO-UHFFFAOYSA-N 1 2 412.465 1.978 20 0 HDADLO CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000429053874 1073476690 /nfs/dbraw/zinc/47/66/90/1073476690.db2.gz NZQJSMRHHVLDLE-IBGZPJMESA-N 1 2 406.596 1.702 20 0 HDADLO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000429053142 1073481053 /nfs/dbraw/zinc/48/10/53/1073481053.db2.gz CZDIMAFOWGMQPT-MRXNPFEDSA-N 1 2 406.508 1.919 20 0 HDADLO Cn1cc(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c2ccccc2c1=O ZINC000429095133 1073562801 /nfs/dbraw/zinc/56/28/01/1073562801.db2.gz ROWUMEPWLMBJKF-UHFFFAOYSA-N 1 2 405.458 1.573 20 0 HDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000509112661 1073563506 /nfs/dbraw/zinc/56/35/06/1073563506.db2.gz PXJLHTXZUUZKJB-IAGOWNOFSA-N 1 2 411.510 1.787 20 0 HDADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000429096814 1073569903 /nfs/dbraw/zinc/56/99/03/1073569903.db2.gz KWVPPEFAFWMLMC-NUJGCVRESA-N 1 2 424.567 1.841 20 0 HDADLO Cc1cccn2cc(CCNC(=O)Cn3cc(Br)c(=O)[nH]c3=O)[nH+]c12 ZINC000673747006 1073681425 /nfs/dbraw/zinc/68/14/25/1073681425.db2.gz MTOAZJGTZVSNHB-UHFFFAOYSA-N 1 2 406.240 1.026 20 0 HDADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509134893 1073690121 /nfs/dbraw/zinc/69/01/21/1073690121.db2.gz DBLLDJQRRJTAFH-LLVKDONJSA-N 1 2 403.867 1.342 20 0 HDADLO CC[C@@H](C)[C@H](NC(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126855 1073705870 /nfs/dbraw/zinc/70/58/70/1073705870.db2.gz KWIVDBGAABYWRC-KUHUBIRLSA-N 1 2 424.567 1.660 20 0 HDADLO CC[C@@H](C)[C@H](NC(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126855 1073705880 /nfs/dbraw/zinc/70/58/80/1073705880.db2.gz KWIVDBGAABYWRC-KUHUBIRLSA-N 1 2 424.567 1.660 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)[nH+]c12 ZINC000673775617 1073708368 /nfs/dbraw/zinc/70/83/68/1073708368.db2.gz BIKYHMJIQSDHFM-INIZCTEOSA-N 1 2 412.446 1.653 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)nc12 ZINC000673770537 1073713623 /nfs/dbraw/zinc/71/36/23/1073713623.db2.gz CFQSZJKAIJSWPN-HXUWFJFHSA-N 1 2 403.552 1.692 20 0 HDADLO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781667 1073715711 /nfs/dbraw/zinc/71/57/11/1073715711.db2.gz DKAFTGNYDLCHGR-RBUKOAKNSA-N 1 2 403.479 1.116 20 0 HDADLO O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782262 1073718881 /nfs/dbraw/zinc/71/88/81/1073718881.db2.gz AWLQITDTGJYQPM-MRXNPFEDSA-N 1 2 418.469 1.214 20 0 HDADLO O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783345 1073721571 /nfs/dbraw/zinc/72/15/71/1073721571.db2.gz SXBUYFQOFJMGRJ-IBGZPJMESA-N 1 2 414.506 1.184 20 0 HDADLO O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783347 1073721700 /nfs/dbraw/zinc/72/17/00/1073721700.db2.gz SXBUYFQOFJMGRJ-LJQANCHMSA-N 1 2 414.506 1.184 20 0 HDADLO Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)c2)n1 ZINC000673784511 1073723849 /nfs/dbraw/zinc/72/38/49/1073723849.db2.gz ZTHPGPCLMVZDIA-FQEVSTJZSA-N 1 2 411.506 1.751 20 0 HDADLO O=C(Nc1cccc(Oc2cnccn2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784299 1073724924 /nfs/dbraw/zinc/72/49/24/1073724924.db2.gz IPYMZUNMNALBCR-SFHVURJKSA-N 1 2 411.462 1.531 20 0 HDADLO CCN(Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)=O ZINC000673785312 1073728377 /nfs/dbraw/zinc/72/83/77/1073728377.db2.gz QHLQWFOWDZZOHW-IBGZPJMESA-N 1 2 416.522 1.317 20 0 HDADLO O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785343 1073728871 /nfs/dbraw/zinc/72/88/71/1073728871.db2.gz QYSJZUULERIQRP-PMACEKPBSA-N 1 2 417.506 1.506 20 0 HDADLO O=C(Nc1ccc(-n2cccn2)c(Cl)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785150 1073729472 /nfs/dbraw/zinc/72/94/72/1073729472.db2.gz OHKDQFLBXDWJGT-MRXNPFEDSA-N 1 2 417.897 1.787 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCc3cc(S(N)(=O)=O)ccc3F)[nH+]c12 ZINC000673777114 1073733639 /nfs/dbraw/zinc/73/36/39/1073733639.db2.gz WASNARBSNMCHQJ-UHFFFAOYSA-N 1 2 405.455 1.471 20 0 HDADLO CCO[C@H](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000673786788 1073734446 /nfs/dbraw/zinc/73/44/46/1073734446.db2.gz RNWGVSLRCNAWJD-LJQANCHMSA-N 1 2 418.538 1.580 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3C)[nH+]c12 ZINC000673788856 1073735477 /nfs/dbraw/zinc/73/54/77/1073735477.db2.gz PHTMFLQICRWIFB-UHFFFAOYSA-N 1 2 414.487 1.652 20 0 HDADLO CC[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000673787609 1073740149 /nfs/dbraw/zinc/74/01/49/1073740149.db2.gz ZETKOVDQCTYABU-GOSISDBHSA-N 1 2 416.522 1.334 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)[nH+]c12 ZINC000673787840 1073741347 /nfs/dbraw/zinc/74/13/47/1073741347.db2.gz BKPQOIOPMRJYIP-UHFFFAOYSA-N 1 2 406.446 1.684 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccccc3OCCC(N)=O)[nH+]c12 ZINC000673789081 1073744032 /nfs/dbraw/zinc/74/40/32/1073744032.db2.gz RYUZDFFYKMWXFB-UHFFFAOYSA-N 1 2 409.446 1.194 20 0 HDADLO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673824496 1073768404 /nfs/dbraw/zinc/76/84/04/1073768404.db2.gz MJHSCACXGKAHQE-UHFFFAOYSA-N 1 2 408.505 1.072 20 0 HDADLO C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCOc2ccc(F)cc2)CCO1 ZINC001108090492 1073779090 /nfs/dbraw/zinc/77/90/90/1073779090.db2.gz VXHICFGHNIQRJM-HVSHRVNHSA-N 1 2 404.482 1.835 20 0 HDADLO C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCOc2ccc(F)cc2)CCO1 ZINC001108090492 1073779098 /nfs/dbraw/zinc/77/90/98/1073779098.db2.gz VXHICFGHNIQRJM-HVSHRVNHSA-N 1 2 404.482 1.835 20 0 HDADLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000216314869 1073784654 /nfs/dbraw/zinc/78/46/54/1073784654.db2.gz RBWFNHFMOOXRIQ-IBGZPJMESA-N 1 2 411.531 1.703 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)c2)CC1 ZINC000057055250 1073786171 /nfs/dbraw/zinc/78/61/71/1073786171.db2.gz AHUAXGMDIUYIIT-LJQANCHMSA-N 1 2 407.518 1.816 20 0 HDADLO CCN(C(C)=O)c1nc(C[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)cs1 ZINC000673860963 1073829895 /nfs/dbraw/zinc/82/98/95/1073829895.db2.gz PDZMNRYUSHOBGW-HNNXBMFYSA-N 1 2 403.574 1.266 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H](Cn1cccn1)c1ccccc1 ZINC000673872716 1073837508 /nfs/dbraw/zinc/83/75/08/1073837508.db2.gz WASAWARPYNNXDR-HXUWFJFHSA-N 1 2 409.494 1.975 20 0 HDADLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)c1nnnn1-c1ccccc1 ZINC000543498542 1073851295 /nfs/dbraw/zinc/85/12/95/1073851295.db2.gz GXZZBAYBFLBHPH-CYBMUJFWSA-N 1 2 411.491 1.529 20 0 HDADLO CN(C)c1nc(CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cs1 ZINC000673878815 1073851898 /nfs/dbraw/zinc/85/18/98/1073851898.db2.gz PPNGYEGDLIRGBG-QGZVFWFLSA-N 1 2 403.552 1.952 20 0 HDADLO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2nnnn2-c2ccccc2)c1OC ZINC000543501004 1073863974 /nfs/dbraw/zinc/86/39/74/1073863974.db2.gz CFHOJOWYSOLADK-HNNXBMFYSA-N 1 2 410.478 1.989 20 0 HDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429158224 1073868334 /nfs/dbraw/zinc/86/83/34/1073868334.db2.gz XDRRGKQNEDTDCU-LSDHHAIUSA-N 1 2 415.515 1.895 20 0 HDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429158224 1073868347 /nfs/dbraw/zinc/86/83/47/1073868347.db2.gz XDRRGKQNEDTDCU-LSDHHAIUSA-N 1 2 415.515 1.895 20 0 HDADLO NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000466563873 1073933013 /nfs/dbraw/zinc/93/30/13/1073933013.db2.gz CWXSCQKFHSUHOC-XUVXKRRUSA-N 1 2 402.539 1.663 20 0 HDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000429176131 1073952965 /nfs/dbraw/zinc/95/29/65/1073952965.db2.gz WKQYQUWWKGFLGN-ZACQAIPSSA-N 1 2 401.429 1.985 20 0 HDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000429176131 1073952966 /nfs/dbraw/zinc/95/29/66/1073952966.db2.gz WKQYQUWWKGFLGN-ZACQAIPSSA-N 1 2 401.429 1.985 20 0 HDADLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c(C)[nH+]1 ZINC001005012038 1073964880 /nfs/dbraw/zinc/96/48/80/1073964880.db2.gz SOYSKVQUMRWTOV-WGEHRRGWSA-N 1 2 413.518 1.920 20 0 HDADLO C[C@H]1C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)Cc2ccccc2O1 ZINC000429182704 1073982413 /nfs/dbraw/zinc/98/24/13/1073982413.db2.gz PGDHGSKXZBVZGG-AWEZNQCLSA-N 1 2 401.488 1.506 20 0 HDADLO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)Cc2ccccc2O1 ZINC000429182704 1073982417 /nfs/dbraw/zinc/98/24/17/1073982417.db2.gz PGDHGSKXZBVZGG-AWEZNQCLSA-N 1 2 401.488 1.506 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2[nH+]ccn21)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001005047665 1073989192 /nfs/dbraw/zinc/98/91/92/1073989192.db2.gz SSPZGZQCDQTMOD-MWHICJNPSA-N 1 2 410.474 1.248 20 0 HDADLO CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H]1COc2ccccc2O1 ZINC000031173476 1074014325 /nfs/dbraw/zinc/01/43/25/1074014325.db2.gz PJMNZWUXGLCKGV-OAHLLOKOSA-N 1 2 405.476 1.434 20 0 HDADLO CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@@H]1COc2ccccc2O1 ZINC000031173476 1074014330 /nfs/dbraw/zinc/01/43/30/1074014330.db2.gz PJMNZWUXGLCKGV-OAHLLOKOSA-N 1 2 405.476 1.434 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCC[N@H+](C)C3CCCC3)s[nH]2)c1 ZINC000543532987 1074031268 /nfs/dbraw/zinc/03/12/68/1074031268.db2.gz FKOVVZZOUYTNSY-UHFFFAOYSA-N 1 2 403.508 1.565 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCC[N@@H+](C)C3CCCC3)s[nH]2)c1 ZINC000543532987 1074031276 /nfs/dbraw/zinc/03/12/76/1074031276.db2.gz FKOVVZZOUYTNSY-UHFFFAOYSA-N 1 2 403.508 1.565 20 0 HDADLO CC(C)N1C[C@@H](NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000429191879 1074035311 /nfs/dbraw/zinc/03/53/11/1074035311.db2.gz FHNJQLZCAPQHBA-SFHVURJKSA-N 1 2 401.511 1.398 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000509194197 1074043614 /nfs/dbraw/zinc/04/36/14/1074043614.db2.gz FLMBVJRLRDLMEU-GJZGRUSLSA-N 1 2 403.570 1.430 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000509194197 1074043621 /nfs/dbraw/zinc/04/36/21/1074043621.db2.gz FLMBVJRLRDLMEU-GJZGRUSLSA-N 1 2 403.570 1.430 20 0 HDADLO Cc1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC[C@@H]2CCCO2)c1 ZINC000466601501 1074066311 /nfs/dbraw/zinc/06/63/11/1074066311.db2.gz QWVJSXVDKADARB-UXHICEINSA-N 1 2 421.538 1.387 20 0 HDADLO Cc1cc(-c2noc([C@H](C)[NH2+]CCNS(=O)(=O)c3cnn(C)c3)n2)ccc1F ZINC000543549977 1074072628 /nfs/dbraw/zinc/07/26/28/1074072628.db2.gz ZVMYDFYLJIJWLI-LBPRGKRZSA-N 1 2 408.459 1.547 20 0 HDADLO Cn1nc(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC001626094276 1074081383 /nfs/dbraw/zinc/08/13/83/1074081383.db2.gz YFAREEFUVIOTQJ-UHFFFAOYSA-N 1 2 406.490 1.366 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)s[nH]2)c1 ZINC000543559248 1074102159 /nfs/dbraw/zinc/10/21/59/1074102159.db2.gz PSMXMLYMMVSWNP-CQSZACIVSA-N 1 2 415.519 1.518 20 0 HDADLO COCCN1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214382 1074156609 /nfs/dbraw/zinc/15/66/09/1074156609.db2.gz ZSXSYQOSEYLIKC-FUHWJXTLSA-N 1 2 412.893 1.725 20 0 HDADLO COCCN1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214382 1074156611 /nfs/dbraw/zinc/15/66/11/1074156611.db2.gz ZSXSYQOSEYLIKC-FUHWJXTLSA-N 1 2 412.893 1.725 20 0 HDADLO CCc1cc(N2CCC(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)CC2)ncn1 ZINC000674090928 1074180637 /nfs/dbraw/zinc/18/06/37/1074180637.db2.gz HAARDAUWEAFNTA-GOSISDBHSA-N 1 2 411.510 1.184 20 0 HDADLO NC(=O)CCSc1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674201822 1074217041 /nfs/dbraw/zinc/21/70/41/1074217041.db2.gz GAMOUGAAWJLPNK-CQSZACIVSA-N 1 2 401.492 1.653 20 0 HDADLO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1C ZINC000674218737 1074229579 /nfs/dbraw/zinc/22/95/79/1074229579.db2.gz LBJLFYTXWPNWIL-UHFFFAOYSA-N 1 2 404.511 1.770 20 0 HDADLO C[C@@H](Cc1ccncc1)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000674231115 1074236386 /nfs/dbraw/zinc/23/63/86/1074236386.db2.gz WOHQMVCZPAYVRM-INIZCTEOSA-N 1 2 409.490 1.155 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000674297354 1074262693 /nfs/dbraw/zinc/26/26/93/1074262693.db2.gz BRUUVZXFWJXUAY-OAHLLOKOSA-N 1 2 401.511 1.595 20 0 HDADLO O=S(=O)(NCc1cccc(OCC[NH+]2CCOCC2)c1)C1Cc2ccccc2C1 ZINC000674339879 1074284492 /nfs/dbraw/zinc/28/44/92/1074284492.db2.gz HJPQMXJDUCAQHL-UHFFFAOYSA-N 1 2 416.543 1.984 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000674428104 1074330703 /nfs/dbraw/zinc/33/07/03/1074330703.db2.gz XFIYMRVHWRRVOC-IIBYNOLFSA-N 1 2 414.510 1.592 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000674468476 1074366223 /nfs/dbraw/zinc/36/62/23/1074366223.db2.gz OXFTUMUZFQPWJO-ZDUSSCGKSA-N 1 2 409.372 1.149 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000674468476 1074366230 /nfs/dbraw/zinc/36/62/30/1074366230.db2.gz OXFTUMUZFQPWJO-ZDUSSCGKSA-N 1 2 409.372 1.149 20 0 HDADLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 ZINC000674469557 1074368557 /nfs/dbraw/zinc/36/85/57/1074368557.db2.gz GNYIXSYYKBDQAO-LYYDLTQRSA-N 1 2 403.479 1.436 20 0 HDADLO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 ZINC000674469557 1074368566 /nfs/dbraw/zinc/36/85/66/1074368566.db2.gz GNYIXSYYKBDQAO-LYYDLTQRSA-N 1 2 403.479 1.436 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3(CO)CCCCC3)c2)CC1 ZINC000674484967 1074389529 /nfs/dbraw/zinc/38/95/29/1074389529.db2.gz MNXCTHPNKHZCTF-UHFFFAOYSA-N 1 2 402.539 1.432 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CCCCC3)CCN2C1=O ZINC000674502218 1074396854 /nfs/dbraw/zinc/39/68/54/1074396854.db2.gz WEJDAOBLKOTSSZ-LJQANCHMSA-N 1 2 412.534 1.973 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CCCCC3)CCN2C1=O ZINC000674502218 1074396866 /nfs/dbraw/zinc/39/68/66/1074396866.db2.gz WEJDAOBLKOTSSZ-LJQANCHMSA-N 1 2 412.534 1.973 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)CCN2C1=O ZINC000674502330 1074396905 /nfs/dbraw/zinc/39/69/05/1074396905.db2.gz SUNGJTVVZJDWQX-HXUWFJFHSA-N 1 2 421.501 1.752 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)CCN2C1=O ZINC000674502330 1074396914 /nfs/dbraw/zinc/39/69/14/1074396914.db2.gz SUNGJTVVZJDWQX-HXUWFJFHSA-N 1 2 421.501 1.752 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3cccc(COC(C)C)c3)CCN2C1=O ZINC000674501941 1074397446 /nfs/dbraw/zinc/39/74/46/1074397446.db2.gz ORWCGWSPGKAWFK-SFHVURJKSA-N 1 2 402.495 1.196 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3cccc(COC(C)C)c3)CCN2C1=O ZINC000674501941 1074397454 /nfs/dbraw/zinc/39/74/54/1074397454.db2.gz ORWCGWSPGKAWFK-SFHVURJKSA-N 1 2 402.495 1.196 20 0 HDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000509229211 1074403457 /nfs/dbraw/zinc/40/34/57/1074403457.db2.gz ZRJJIIJZUITCLE-UZSYQUHHSA-N 1 2 407.474 1.525 20 0 HDADLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496417 1074405921 /nfs/dbraw/zinc/40/59/21/1074405921.db2.gz WDULEIGEHZPQIS-OLMNPRSZSA-N 1 2 413.474 1.702 20 0 HDADLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496417 1074405922 /nfs/dbraw/zinc/40/59/22/1074405922.db2.gz WDULEIGEHZPQIS-OLMNPRSZSA-N 1 2 413.474 1.702 20 0 HDADLO O=C(Cc1c[nH]c2cnccc12)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001005346067 1074416288 /nfs/dbraw/zinc/41/62/88/1074416288.db2.gz UFFYJNSULCNVRO-RZRATATOSA-N 1 2 404.474 1.880 20 0 HDADLO O=C(Cc1c[nH]c2cnccc12)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001005346067 1074416297 /nfs/dbraw/zinc/41/62/97/1074416297.db2.gz UFFYJNSULCNVRO-RZRATATOSA-N 1 2 404.474 1.880 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2N)[C@@H]1c1ccc(F)c(F)c1 ZINC000670475283 1074421100 /nfs/dbraw/zinc/42/11/00/1074421100.db2.gz BMKUIDMQDYXWKE-APWZRJJASA-N 1 2 424.473 1.387 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2N)[C@@H]1c1ccc(F)c(F)c1 ZINC000670475283 1074421108 /nfs/dbraw/zinc/42/11/08/1074421108.db2.gz BMKUIDMQDYXWKE-APWZRJJASA-N 1 2 424.473 1.387 20 0 HDADLO O=C(Nc1c(F)cccc1Br)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674581904 1074461083 /nfs/dbraw/zinc/46/10/83/1074461083.db2.gz DEJSDKHNPVYYOL-LBPRGKRZSA-N 1 2 414.275 1.850 20 0 HDADLO O=C(NCC1(c2ccccc2Br)CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000509234079 1074508915 /nfs/dbraw/zinc/50/89/15/1074508915.db2.gz QROYQFWTEWNQTJ-UHFFFAOYSA-N 1 2 406.324 1.904 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+](C)Cc3cn[nH]c3)CC2)cc1 ZINC000674752436 1074547574 /nfs/dbraw/zinc/54/75/74/1074547574.db2.gz UKZMPCZNFJHEGZ-INIZCTEOSA-N 1 2 405.524 1.072 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+](C)Cc3cn[nH]c3)CC2)cc1 ZINC000674752436 1074547583 /nfs/dbraw/zinc/54/75/83/1074547583.db2.gz UKZMPCZNFJHEGZ-INIZCTEOSA-N 1 2 405.524 1.072 20 0 HDADLO C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000766087712 1074676222 /nfs/dbraw/zinc/67/62/22/1074676222.db2.gz TUYAZUAMOJFQGL-HNAYVOBHSA-N 1 2 405.474 1.988 20 0 HDADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1 ZINC000557212636 1074715608 /nfs/dbraw/zinc/71/56/08/1074715608.db2.gz KYWICRYJBMXVOT-UHFFFAOYSA-N 1 2 403.486 2.464 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@H](O)CCc3ccccc3)ccn2)CC1 ZINC000543613911 1074716026 /nfs/dbraw/zinc/71/60/26/1074716026.db2.gz DQFBGSKJCQZUKL-IBGZPJMESA-N 1 2 411.506 1.584 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)CCN2C1=O ZINC000675104810 1074720211 /nfs/dbraw/zinc/72/02/11/1074720211.db2.gz LZOFPBUQSINRKG-HIFRSBDPSA-N 1 2 420.539 1.875 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)CCN2C1=O ZINC000675104810 1074720219 /nfs/dbraw/zinc/72/02/19/1074720219.db2.gz LZOFPBUQSINRKG-HIFRSBDPSA-N 1 2 420.539 1.875 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465552659 1074731979 /nfs/dbraw/zinc/73/19/79/1074731979.db2.gz YUHIVYKSPNJJOF-MRXNPFEDSA-N 1 2 415.460 2.409 20 0 HDADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000675126453 1074732038 /nfs/dbraw/zinc/73/20/38/1074732038.db2.gz IKSGLTWYUDPSDC-QZTJIDSGSA-N 1 2 422.485 1.220 20 0 HDADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000675126453 1074732044 /nfs/dbraw/zinc/73/20/44/1074732044.db2.gz IKSGLTWYUDPSDC-QZTJIDSGSA-N 1 2 422.485 1.220 20 0 HDADLO C[C@@H]1COCCN1CCNc1nc2ncccc2nc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000675150373 1074737927 /nfs/dbraw/zinc/73/79/27/1074737927.db2.gz KJOAXEOTGXLLMR-DLBZAZTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCCN1CCNc1nc2ncccc2nc1NCC[N@H+]1CCOC[C@@H]1C ZINC000675150373 1074737939 /nfs/dbraw/zinc/73/79/39/1074737939.db2.gz KJOAXEOTGXLLMR-DLBZAZTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCC[N@H+]1CCNc1nc2ncccc2nc1NCCN1CCOC[C@@H]1C ZINC000675150373 1074737950 /nfs/dbraw/zinc/73/79/50/1074737950.db2.gz KJOAXEOTGXLLMR-DLBZAZTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCC[N@@H+]1CCNc1nc2ncccc2nc1NCCN1CCOC[C@@H]1C ZINC000675150373 1074737960 /nfs/dbraw/zinc/73/79/60/1074737960.db2.gz KJOAXEOTGXLLMR-DLBZAZTESA-N 1 2 415.542 1.290 20 0 HDADLO COC(=O)C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(F)cc1 ZINC000475598116 1074742819 /nfs/dbraw/zinc/74/28/19/1074742819.db2.gz ZHQNYEGZYGZFEB-KRWDZBQOSA-N 1 2 419.457 1.780 20 0 HDADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCCNc3ccc(C)c[nH+]3)cc2)[nH]1 ZINC000443518609 1074743727 /nfs/dbraw/zinc/74/37/27/1074743727.db2.gz LZZRFOSKONVSNE-UHFFFAOYSA-N 1 2 423.473 1.817 20 0 HDADLO CC[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000675218504 1074760947 /nfs/dbraw/zinc/76/09/47/1074760947.db2.gz LCTRQPRCQOSREK-DLBZAZTESA-N 1 2 404.902 1.878 20 0 HDADLO CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000675218505 1074761069 /nfs/dbraw/zinc/76/10/69/1074761069.db2.gz LCTRQPRCQOSREK-IAGOWNOFSA-N 1 2 404.902 1.878 20 0 HDADLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000675219295 1074762920 /nfs/dbraw/zinc/76/29/20/1074762920.db2.gz LSJVVINUXFLFFE-LJQANCHMSA-N 1 2 421.563 1.716 20 0 HDADLO CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448490733 1074773594 /nfs/dbraw/zinc/77/35/94/1074773594.db2.gz PWDYCSLHQIRLOK-UHFFFAOYSA-N 1 2 419.570 2.265 20 0 HDADLO CC(C)CO[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000675265044 1074774875 /nfs/dbraw/zinc/77/48/75/1074774875.db2.gz HIYNNGCVYCQBPH-QGZVFWFLSA-N 1 2 416.522 1.286 20 0 HDADLO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000675267618 1074777159 /nfs/dbraw/zinc/77/71/59/1074777159.db2.gz WBIVNURHGFIXSI-BEFAXECRSA-N 1 2 410.478 1.927 20 0 HDADLO Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1-c1ccccc1 ZINC000536754052 1074777659 /nfs/dbraw/zinc/77/76/59/1074777659.db2.gz FTDXUBVTUKRYQM-OALUTQOASA-N 1 2 411.506 1.879 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000675287924 1074781178 /nfs/dbraw/zinc/78/11/78/1074781178.db2.gz SGOJFUZDLXBZFL-HNNXBMFYSA-N 1 2 403.508 1.559 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000675287924 1074781188 /nfs/dbraw/zinc/78/11/88/1074781188.db2.gz SGOJFUZDLXBZFL-HNNXBMFYSA-N 1 2 403.508 1.559 20 0 HDADLO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000675281395 1074786662 /nfs/dbraw/zinc/78/66/62/1074786662.db2.gz QDBAYSLZSBAEOL-SFHVURJKSA-N 1 2 409.552 1.451 20 0 HDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000498632465 1074789406 /nfs/dbraw/zinc/78/94/06/1074789406.db2.gz BNVNNJYCBVBIGR-HXUWFJFHSA-N 1 2 419.485 1.828 20 0 HDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000498632465 1074789411 /nfs/dbraw/zinc/78/94/11/1074789411.db2.gz BNVNNJYCBVBIGR-HXUWFJFHSA-N 1 2 419.485 1.828 20 0 HDADLO CCn1c(CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)nc2ccccc21 ZINC000785478225 1074799542 /nfs/dbraw/zinc/79/95/42/1074799542.db2.gz MWRWOVBXEGGWBJ-UHFFFAOYSA-N 1 2 401.511 1.242 20 0 HDADLO O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000522831258 1074805257 /nfs/dbraw/zinc/80/52/57/1074805257.db2.gz SFJSBRMQASORFI-UHFFFAOYSA-N 1 2 409.494 1.782 20 0 HDADLO O=C(NCc1cccc2ccccc21)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000532596113 1074813977 /nfs/dbraw/zinc/81/39/77/1074813977.db2.gz IAYNRTKBWXYQOY-UHFFFAOYSA-N 1 2 407.474 1.623 20 0 HDADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468466585 1074814489 /nfs/dbraw/zinc/81/44/89/1074814489.db2.gz IYGMLITYDQQENX-UHFFFAOYSA-N 1 2 415.457 1.961 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766108920 1074815068 /nfs/dbraw/zinc/81/50/68/1074815068.db2.gz OWCJZTZEXUDMBJ-HKUYNNGSSA-N 1 2 406.490 1.584 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766108920 1074815071 /nfs/dbraw/zinc/81/50/71/1074815071.db2.gz OWCJZTZEXUDMBJ-HKUYNNGSSA-N 1 2 406.490 1.584 20 0 HDADLO O=C(NCCCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000543622413 1074815980 /nfs/dbraw/zinc/81/59/80/1074815980.db2.gz MEUSWOBRSUKPSY-CYBMUJFWSA-N 1 2 411.915 1.519 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468444508 1074818569 /nfs/dbraw/zinc/81/85/69/1074818569.db2.gz JHWHSMFGIUKGKB-UHFFFAOYSA-N 1 2 419.489 1.771 20 0 HDADLO Cc1cc(NC(=O)CN2CCN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)CC2)no1 ZINC000552876174 1075109071 /nfs/dbraw/zinc/10/90/71/1075109071.db2.gz PUUSBQYCPKQMIZ-SFHVURJKSA-N 1 2 422.489 2.011 20 0 HDADLO O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429349236 1075155228 /nfs/dbraw/zinc/15/52/28/1075155228.db2.gz AGIFJOUZHJDJET-INIZCTEOSA-N 1 2 409.494 1.473 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000551634939 1075184664 /nfs/dbraw/zinc/18/46/64/1075184664.db2.gz MUFNSWSZPUOPPE-HXUWFJFHSA-N 1 2 423.517 1.908 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000485966866 1075189709 /nfs/dbraw/zinc/18/97/09/1075189709.db2.gz ZLYXGWOGAIHPKS-QZTJIDSGSA-N 1 2 403.527 1.583 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)CC1 ZINC000445004196 1075196451 /nfs/dbraw/zinc/19/64/51/1075196451.db2.gz MJWMMXVNRACQRB-UHFFFAOYSA-N 1 2 420.543 1.645 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)CC1 ZINC000445004196 1075196453 /nfs/dbraw/zinc/19/64/53/1075196453.db2.gz MJWMMXVNRACQRB-UHFFFAOYSA-N 1 2 420.543 1.645 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001005742346 1075210294 /nfs/dbraw/zinc/21/02/94/1075210294.db2.gz SLTPSBMAIRXXFT-SUFIHLRJSA-N 1 2 401.511 1.311 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1nnc(CC(F)(F)F)s1 ZINC000483993953 1075214014 /nfs/dbraw/zinc/21/40/14/1075214014.db2.gz LKJSBQUTZHRAOZ-UHFFFAOYSA-N 1 2 405.406 1.816 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000675601651 1075218210 /nfs/dbraw/zinc/21/82/10/1075218210.db2.gz LLPPHLLEQGDITB-UHFFFAOYSA-N 1 2 410.478 1.258 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675588106 1075226318 /nfs/dbraw/zinc/22/63/18/1075226318.db2.gz QBCSTISDANECMI-SFHVURJKSA-N 1 2 412.494 1.702 20 0 HDADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)CC1 ZINC000504518825 1075230399 /nfs/dbraw/zinc/23/03/99/1075230399.db2.gz OXDAPJLMQHKWGB-UHFFFAOYSA-N 1 2 417.485 1.902 20 0 HDADLO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560193436 1075236608 /nfs/dbraw/zinc/23/66/08/1075236608.db2.gz WZVYUJYXKJOFKV-RHSMWYFYSA-N 1 2 421.860 2.168 20 0 HDADLO CC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560193436 1075236612 /nfs/dbraw/zinc/23/66/12/1075236612.db2.gz WZVYUJYXKJOFKV-RHSMWYFYSA-N 1 2 421.860 2.168 20 0 HDADLO C[C@@H](c1nc(-c2nc[nH]n2)no1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000675610916 1075245072 /nfs/dbraw/zinc/24/50/72/1075245072.db2.gz VDYYMRGSQVXQLZ-JSGCOSHPSA-N 1 2 408.426 1.024 20 0 HDADLO C[C@@H](c1nc(-c2nc[nH]n2)no1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000675610916 1075245076 /nfs/dbraw/zinc/24/50/76/1075245076.db2.gz VDYYMRGSQVXQLZ-JSGCOSHPSA-N 1 2 408.426 1.024 20 0 HDADLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000675643811 1075246312 /nfs/dbraw/zinc/24/63/12/1075246312.db2.gz NCDGTVKJYFQGLC-DENIHFKCSA-N 1 2 419.591 1.573 20 0 HDADLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000675643811 1075246318 /nfs/dbraw/zinc/24/63/18/1075246318.db2.gz NCDGTVKJYFQGLC-DENIHFKCSA-N 1 2 419.591 1.573 20 0 HDADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC(F)(F)C1 ZINC000675647986 1075247011 /nfs/dbraw/zinc/24/70/11/1075247011.db2.gz JHDRNIVJYORTQQ-CQSZACIVSA-N 1 2 417.482 1.020 20 0 HDADLO CO[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000675677437 1075252853 /nfs/dbraw/zinc/25/28/53/1075252853.db2.gz YNLNEEKDMCCVKJ-MAUKXSAKSA-N 1 2 409.914 1.324 20 0 HDADLO CCCCN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000429372102 1075255810 /nfs/dbraw/zinc/25/58/10/1075255810.db2.gz KYNCOZHUTDBULY-BQFCYCMXSA-N 1 2 402.557 1.322 20 0 HDADLO CCCCN(C(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000429372102 1075255812 /nfs/dbraw/zinc/25/58/12/1075255812.db2.gz KYNCOZHUTDBULY-BQFCYCMXSA-N 1 2 402.557 1.322 20 0 HDADLO CC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000675701758 1075256285 /nfs/dbraw/zinc/25/62/85/1075256285.db2.gz FCVLMBUCUAGMRK-OALUTQOASA-N 1 2 402.495 1.367 20 0 HDADLO Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675701876 1075257143 /nfs/dbraw/zinc/25/71/43/1075257143.db2.gz GKKNWZYNQXPHDK-OALUTQOASA-N 1 2 411.506 1.879 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(F)F)n[nH]1)C2 ZINC001006004221 1075259327 /nfs/dbraw/zinc/25/93/27/1075259327.db2.gz VYDRBXXKWHPJKI-LEQHPZHVSA-N 1 2 404.421 1.746 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3ncsc3Br)ccn2)CC1 ZINC000675790424 1075272070 /nfs/dbraw/zinc/27/20/70/1075272070.db2.gz ZFAKXYAQXZLNMA-UHFFFAOYSA-N 1 2 410.297 1.941 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675811399 1075275172 /nfs/dbraw/zinc/27/51/72/1075275172.db2.gz RULAOJXOUQEREG-FXAWDEMLSA-N 1 2 410.584 1.427 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CC[N@@H+](Cc3ncnn3CCF)C2)CC1 ZINC001035208412 1075293475 /nfs/dbraw/zinc/29/34/75/1075293475.db2.gz ZBMANRXQLPMLSK-BCDMZGRMSA-N 1 2 403.502 1.486 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CC[N@H+](Cc3ncnn3CCF)C2)CC1 ZINC001035208412 1075293478 /nfs/dbraw/zinc/29/34/78/1075293478.db2.gz ZBMANRXQLPMLSK-BCDMZGRMSA-N 1 2 403.502 1.486 20 0 HDADLO CC(C)(C)NS(=O)(=O)CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000675935884 1075296734 /nfs/dbraw/zinc/29/67/34/1075296734.db2.gz PNSWPEMKACXTPZ-UHFFFAOYSA-N 1 2 416.975 1.296 20 0 HDADLO Cc1cc(Cl)cc(C)c1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509374383 1075306296 /nfs/dbraw/zinc/30/62/96/1075306296.db2.gz SZHXMJNVKDVHCM-UHFFFAOYSA-N 1 2 400.976 1.567 20 0 HDADLO CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000731353730 1075317022 /nfs/dbraw/zinc/31/70/22/1075317022.db2.gz ZLWUCLFQQIRMOL-UHFFFAOYSA-N 1 2 407.515 1.801 20 0 HDADLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000676042442 1075339006 /nfs/dbraw/zinc/33/90/06/1075339006.db2.gz YJTJHFHXDFMJGN-UHFFFAOYSA-N 1 2 413.540 1.393 20 0 HDADLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000676042442 1075339008 /nfs/dbraw/zinc/33/90/08/1075339008.db2.gz YJTJHFHXDFMJGN-UHFFFAOYSA-N 1 2 413.540 1.393 20 0 HDADLO CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000731447759 1075345544 /nfs/dbraw/zinc/34/55/44/1075345544.db2.gz WZBXNNJQSNJKJU-UHFFFAOYSA-N 1 2 406.489 1.535 20 0 HDADLO COC(=O)c1cn(C2CC[NH+]([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)OC)c3C)CC2)nn1 ZINC000546811248 1075348122 /nfs/dbraw/zinc/34/81/22/1075348122.db2.gz XYQOOYHRXMXYAQ-ZDUSSCGKSA-N 1 2 417.466 1.705 20 0 HDADLO CN(CC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21)C1=NS(=O)(=O)c2ccccc21 ZINC000731465088 1075356910 /nfs/dbraw/zinc/35/69/10/1075356910.db2.gz BXDFFVDNBNXNHQ-MRXNPFEDSA-N 1 2 412.515 1.587 20 0 HDADLO CCOC(=O)c1ccc(NC(=S)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731568651 1075390770 /nfs/dbraw/zinc/39/07/70/1075390770.db2.gz DBHOIPOJRAKMRS-UHFFFAOYSA-N 1 2 413.565 1.659 20 0 HDADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)C[C@H](C)O1 ZINC000731572759 1075391575 /nfs/dbraw/zinc/39/15/75/1075391575.db2.gz DJSZVTDCXITONV-GASCZTMLSA-N 1 2 402.470 1.989 20 0 HDADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)C[C@H](C)O1 ZINC000731572759 1075391578 /nfs/dbraw/zinc/39/15/78/1075391578.db2.gz DJSZVTDCXITONV-GASCZTMLSA-N 1 2 402.470 1.989 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)Cc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000429872502 1075393834 /nfs/dbraw/zinc/39/38/34/1075393834.db2.gz OLQBRUQYGXLEKW-UHFFFAOYSA-N 1 2 422.489 2.070 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000676124317 1075395602 /nfs/dbraw/zinc/39/56/02/1075395602.db2.gz VHBHQMFMJJCWAF-QGZVFWFLSA-N 1 2 416.522 1.924 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(F)(F)Oc2ccc(C=O)cc2)CC1 ZINC000731604176 1075409345 /nfs/dbraw/zinc/40/93/45/1075409345.db2.gz GSJICGPQHSVOCI-UHFFFAOYSA-N 1 2 416.388 1.496 20 0 HDADLO CO[C@@H]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000804110983 1075410130 /nfs/dbraw/zinc/41/01/30/1075410130.db2.gz DMRBBSNZAFJWBB-OXJNMPFZSA-N 1 2 402.539 1.769 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)n2)cc1 ZINC000578288052 1075413653 /nfs/dbraw/zinc/41/36/53/1075413653.db2.gz IRXTXMDGYBZXQX-IBGZPJMESA-N 1 2 424.505 2.375 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)n2)cc1 ZINC000578288052 1075413656 /nfs/dbraw/zinc/41/36/56/1075413656.db2.gz IRXTXMDGYBZXQX-IBGZPJMESA-N 1 2 424.505 2.375 20 0 HDADLO c1nnn(-c2ccccc2)c1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000676181087 1075423253 /nfs/dbraw/zinc/42/32/53/1075423253.db2.gz NBQZKUDNHHIHPC-UHFFFAOYSA-N 1 2 406.494 1.216 20 0 HDADLO Cc1[nH]c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)c1C(=O)OC(C)C ZINC000731648280 1075426265 /nfs/dbraw/zinc/42/62/65/1075426265.db2.gz JSVZNBSPJOTYRS-UHFFFAOYSA-N 1 2 413.540 1.436 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000731649074 1075428946 /nfs/dbraw/zinc/42/89/46/1075428946.db2.gz WWJLUMNLOYQFDN-UHFFFAOYSA-N 1 2 416.547 1.989 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000731648609 1075430342 /nfs/dbraw/zinc/43/03/42/1075430342.db2.gz PBUDJOSRWKBZRT-IBGZPJMESA-N 1 2 421.563 1.307 20 0 HDADLO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)(C)c1ccccc1 ZINC000804119354 1075431488 /nfs/dbraw/zinc/43/14/88/1075431488.db2.gz GAQKIJNRKNFNNI-MRXNPFEDSA-N 1 2 423.579 1.094 20 0 HDADLO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650224 1075431704 /nfs/dbraw/zinc/43/17/04/1075431704.db2.gz KOFRMYBSACPARH-OAHLLOKOSA-N 1 2 401.573 1.087 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1 ZINC000731650109 1075432227 /nfs/dbraw/zinc/43/22/27/1075432227.db2.gz BMUMHUOUJWSCMR-UHFFFAOYSA-N 1 2 419.341 1.453 20 0 HDADLO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650292 1075432296 /nfs/dbraw/zinc/43/22/96/1075432296.db2.gz AIASECAYPSEYKH-OAHLLOKOSA-N 1 2 405.520 1.127 20 0 HDADLO Cc1ccc(N2CCC(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC2)[nH+]c1 ZINC000731651099 1075434452 /nfs/dbraw/zinc/43/44/52/1075434452.db2.gz XSTZABSJEYMDPQ-UHFFFAOYSA-N 1 2 408.568 1.232 20 0 HDADLO CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731651090 1075434513 /nfs/dbraw/zinc/43/45/13/1075434513.db2.gz XFCYUXUBOVRXJV-IBGZPJMESA-N 1 2 419.588 1.695 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000731650937 1075434849 /nfs/dbraw/zinc/43/48/49/1075434849.db2.gz SPRUCFQRPDAPFD-UHFFFAOYSA-N 1 2 416.547 1.989 20 0 HDADLO CCc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccccc1 ZINC000731650959 1075434881 /nfs/dbraw/zinc/43/48/81/1075434881.db2.gz URTGOAMKGNIXPL-UHFFFAOYSA-N 1 2 404.536 1.674 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000731650711 1075435743 /nfs/dbraw/zinc/43/57/43/1075435743.db2.gz XGQKUMNYYFVPHU-SFHVURJKSA-N 1 2 423.535 1.195 20 0 HDADLO CCn1c2ccccc2nc1SCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650535 1075435818 /nfs/dbraw/zinc/43/58/18/1075435818.db2.gz RBKQREULSZMHBZ-UHFFFAOYSA-N 1 2 424.592 1.774 20 0 HDADLO Cc1ncc(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c(N)n1 ZINC000676210313 1075438297 /nfs/dbraw/zinc/43/82/97/1075438297.db2.gz RNZOHRBCMNHOMT-UHFFFAOYSA-N 1 2 413.507 1.869 20 0 HDADLO COc1ccc(OCCN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731686536 1075446133 /nfs/dbraw/zinc/44/61/33/1075446133.db2.gz YRFOZELFGCXLCI-UHFFFAOYSA-N 1 2 413.540 1.224 20 0 HDADLO C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](c2ccccc2)O1 ZINC000731686215 1075447450 /nfs/dbraw/zinc/44/74/50/1075447450.db2.gz OLBVJUDNGAKXPE-VQIMIIECSA-N 1 2 409.552 1.667 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000731686000 1075447951 /nfs/dbraw/zinc/44/79/51/1075447951.db2.gz HPKZUJXBWWCUOK-HXUWFJFHSA-N 1 2 416.547 1.979 20 0 HDADLO COc1cccc(C[C@@H]2CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731686576 1075448867 /nfs/dbraw/zinc/44/88/67/1075448867.db2.gz DCECNXIRVUCIAC-IBGZPJMESA-N 1 2 423.579 1.921 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2cccnc2)CC1 ZINC000731686606 1075449430 /nfs/dbraw/zinc/44/94/30/1075449430.db2.gz FOHVOBQZNJSHOL-HXUWFJFHSA-N 1 2 416.547 1.979 20 0 HDADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676257436 1075453310 /nfs/dbraw/zinc/45/33/10/1075453310.db2.gz VAACVLRDLBNELV-DNVCBOLYSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257436 1075453313 /nfs/dbraw/zinc/45/33/13/1075453313.db2.gz VAACVLRDLBNELV-DNVCBOLYSA-N 1 2 403.504 1.936 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000731679584 1075461882 /nfs/dbraw/zinc/46/18/82/1075461882.db2.gz PHVVGDRSNVRCLH-UHFFFAOYSA-N 1 2 403.932 1.527 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCOc2ccccc2F)CC1 ZINC000731680696 1075464299 /nfs/dbraw/zinc/46/42/99/1075464299.db2.gz SJYWHLZPAGZGAR-UHFFFAOYSA-N 1 2 401.504 1.403 20 0 HDADLO C[C@@H](CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)NC(=O)OC(C)(C)C ZINC000731683521 1075465479 /nfs/dbraw/zinc/46/54/79/1075465479.db2.gz CTWXFHJPVZAZLW-AWEZNQCLSA-N 1 2 420.576 1.098 20 0 HDADLO COc1ccc(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1F ZINC000731684152 1075467879 /nfs/dbraw/zinc/46/78/79/1075467879.db2.gz PYIXOPFMAFTPLI-UHFFFAOYSA-N 1 2 401.504 1.185 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCCc2c1cnn2CCO ZINC000676270638 1075473393 /nfs/dbraw/zinc/47/33/93/1075473393.db2.gz WBLPCSQJBUDWKQ-QGZVFWFLSA-N 1 2 400.483 1.615 20 0 HDADLO Cc1conc1NC(=O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546148760 1075483302 /nfs/dbraw/zinc/48/33/02/1075483302.db2.gz XYFIXJCDNIHVEN-UHFFFAOYSA-N 1 2 406.240 1.999 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCC1(O)CCOCC1 ZINC000509402214 1075504171 /nfs/dbraw/zinc/50/41/71/1075504171.db2.gz HWNLBCMHKXQXLR-LJQANCHMSA-N 1 2 405.539 1.851 20 0 HDADLO COc1ccc(NC(=O)c2nnc(CN3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1 ZINC000676316966 1075505935 /nfs/dbraw/zinc/50/59/35/1075505935.db2.gz LNDRIYTYHXBIRR-OAHLLOKOSA-N 1 2 403.508 1.706 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000731752333 1075508751 /nfs/dbraw/zinc/50/87/51/1075508751.db2.gz YJYJROSVDQTKRG-UHFFFAOYSA-N 1 2 408.524 1.666 20 0 HDADLO CC(C)(C)NC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731751698 1075509158 /nfs/dbraw/zinc/50/91/58/1075509158.db2.gz AYTHYXPPZUNOOS-UHFFFAOYSA-N 1 2 424.567 1.845 20 0 HDADLO COc1ccc(OC(F)F)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731752629 1075509471 /nfs/dbraw/zinc/50/94/71/1075509471.db2.gz LCRSOYACYOCXRN-UHFFFAOYSA-N 1 2 421.466 1.927 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(Cn3cccn3)c2)CC1 ZINC000731753264 1075509719 /nfs/dbraw/zinc/50/97/19/1075509719.db2.gz ZONPAVFMTHVKSG-UHFFFAOYSA-N 1 2 405.524 1.562 20 0 HDADLO CC[C@H](C)NC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731754372 1075510404 /nfs/dbraw/zinc/51/04/04/1075510404.db2.gz UHAVZCWOLQXZEP-HNNXBMFYSA-N 1 2 424.567 1.845 20 0 HDADLO O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340253 1075513115 /nfs/dbraw/zinc/51/31/15/1075513115.db2.gz YGUUJPIUKGTZBJ-LJQANCHMSA-N 1 2 418.497 1.992 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000676340430 1075514435 /nfs/dbraw/zinc/51/44/35/1075514435.db2.gz FHQPVUGUKBVCJS-NHCUHLMSSA-N 1 2 408.502 1.356 20 0 HDADLO O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676342711 1075515944 /nfs/dbraw/zinc/51/59/44/1075515944.db2.gz SFYFDLZDJKSREL-SFHVURJKSA-N 1 2 407.536 1.408 20 0 HDADLO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676342278 1075516440 /nfs/dbraw/zinc/51/64/40/1075516440.db2.gz ZSAIWLGBTNBLQL-BZSNNMDCSA-N 1 2 424.586 1.145 20 0 HDADLO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1Cl ZINC000731765050 1075519463 /nfs/dbraw/zinc/51/94/63/1075519463.db2.gz LMUMUNXHRABTQW-UHFFFAOYSA-N 1 2 401.916 1.212 20 0 HDADLO C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000676346581 1075519769 /nfs/dbraw/zinc/51/97/69/1075519769.db2.gz AKJGMYTYSOOSBA-SJCJKPOMSA-N 1 2 410.471 1.404 20 0 HDADLO C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676346581 1075519774 /nfs/dbraw/zinc/51/97/74/1075519774.db2.gz AKJGMYTYSOOSBA-SJCJKPOMSA-N 1 2 410.471 1.404 20 0 HDADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000731809566 1075527334 /nfs/dbraw/zinc/52/73/34/1075527334.db2.gz XWJSASCVRAXTOO-UHFFFAOYSA-N 1 2 421.442 1.214 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)c2)cc[nH+]1 ZINC000544508167 1075536244 /nfs/dbraw/zinc/53/62/44/1075536244.db2.gz YDCJBLZTYHXMTI-QGZVFWFLSA-N 1 2 417.535 1.799 20 0 HDADLO COCCOc1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cc1 ZINC000676494585 1075565588 /nfs/dbraw/zinc/56/55/88/1075565588.db2.gz AKWVREOQXDFIMJ-UHFFFAOYSA-N 1 2 420.535 1.801 20 0 HDADLO Cn1nnc2cc(CNc3ccc(N4CCN(S(C)(=O)=O)CC4)[nH+]c3)ccc21 ZINC000676494678 1075565638 /nfs/dbraw/zinc/56/56/38/1075565638.db2.gz BYFCZBOWFQKVOE-UHFFFAOYSA-N 1 2 401.496 1.057 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccc4c(c3)OCCO4)c[nH+]2)CC1 ZINC000676494584 1075565656 /nfs/dbraw/zinc/56/56/56/1075565656.db2.gz AKUXOMXBVTXGDZ-UHFFFAOYSA-N 1 2 404.492 1.547 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000676488607 1075568448 /nfs/dbraw/zinc/56/84/48/1075568448.db2.gz HIZPGYYEVPGXRH-IHPCNDPISA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000676488607 1075568452 /nfs/dbraw/zinc/56/84/52/1075568452.db2.gz HIZPGYYEVPGXRH-IHPCNDPISA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000676488607 1075568458 /nfs/dbraw/zinc/56/84/58/1075568458.db2.gz HIZPGYYEVPGXRH-IHPCNDPISA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000676488607 1075568460 /nfs/dbraw/zinc/56/84/60/1075568460.db2.gz HIZPGYYEVPGXRH-IHPCNDPISA-N 1 2 411.502 1.961 20 0 HDADLO S=C(NCCC[NH+]1CCOCC1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000731952066 1075573909 /nfs/dbraw/zinc/57/39/09/1075573909.db2.gz NUXQKFADDQEPKN-HXUWFJFHSA-N 1 2 406.596 1.116 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccc(-n2cccn2)cc1 ZINC000731962458 1075577005 /nfs/dbraw/zinc/57/70/05/1075577005.db2.gz OETHFAQTMTVPKK-FQEVSTJZSA-N 1 2 412.490 1.629 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)c1 ZINC000731966882 1075578965 /nfs/dbraw/zinc/57/89/65/1075578965.db2.gz SDELFSYDJACUQY-FERLCFGISA-N 1 2 408.502 1.953 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccnn3Cc3ccccn3)[nH+]c12 ZINC000676550773 1075584547 /nfs/dbraw/zinc/58/45/47/1075584547.db2.gz AFVLNLWLNVZJKF-UHFFFAOYSA-N 1 2 403.446 1.580 20 0 HDADLO C[C@@H](O)C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000469692468 1075596751 /nfs/dbraw/zinc/59/67/51/1075596751.db2.gz TXVYSJUIOKXNPY-MJGOQNOKSA-N 1 2 401.511 1.892 20 0 HDADLO C[C@@H](O)[C@@](C)(CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccccc1 ZINC000483781057 1075597467 /nfs/dbraw/zinc/59/74/67/1075597467.db2.gz ZAOKHZWLOJJTIN-XMSQKQJNSA-N 1 2 415.538 1.967 20 0 HDADLO Cn1ncnc1COc1ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000676559838 1075601146 /nfs/dbraw/zinc/60/11/46/1075601146.db2.gz MBLGUQJQTWRXFH-UHFFFAOYSA-N 1 2 411.447 1.776 20 0 HDADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000804177470 1075604331 /nfs/dbraw/zinc/60/43/31/1075604331.db2.gz AWTDQYRWUGUCOC-UHFFFAOYSA-N 1 2 418.538 1.622 20 0 HDADLO CCOC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732166161 1075644479 /nfs/dbraw/zinc/64/44/79/1075644479.db2.gz VGUXZTFYYWRSKW-PMACEKPBSA-N 1 2 403.523 1.915 20 0 HDADLO CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1C ZINC000509429786 1075647782 /nfs/dbraw/zinc/64/77/82/1075647782.db2.gz JEJINLZACXQGLD-QGZVFWFLSA-N 1 2 410.536 1.905 20 0 HDADLO CCN(CC)S(=O)(=O)c1cc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)ccc1C ZINC000804200144 1075655881 /nfs/dbraw/zinc/65/58/81/1075655881.db2.gz XTRAKVFPNJLKJW-HNNXBMFYSA-N 1 2 405.480 1.416 20 0 HDADLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000732206400 1075664573 /nfs/dbraw/zinc/66/45/73/1075664573.db2.gz XTCJANBGDRILQZ-IYBDPMFKSA-N 1 2 424.567 1.252 20 0 HDADLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C[C@@H](C)O1 ZINC000732207902 1075665057 /nfs/dbraw/zinc/66/50/57/1075665057.db2.gz CMVABHNISBHTLS-MKKUVZSESA-N 1 2 421.563 1.631 20 0 HDADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C[C@@H](C)O1 ZINC000732207902 1075665058 /nfs/dbraw/zinc/66/50/58/1075665058.db2.gz CMVABHNISBHTLS-MKKUVZSESA-N 1 2 421.563 1.631 20 0 HDADLO CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c(F)c1 ZINC000676721621 1075667367 /nfs/dbraw/zinc/66/73/67/1075667367.db2.gz FHXNQYKHTRRCTG-UHFFFAOYSA-N 1 2 422.482 1.876 20 0 HDADLO COCc1ncc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(N)n1 ZINC000502859256 1075673808 /nfs/dbraw/zinc/67/38/08/1075673808.db2.gz DEVUCYVCGAWUGJ-DOTOQJQBSA-N 1 2 405.886 1.660 20 0 HDADLO COCc1ncc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(N)n1 ZINC000502859256 1075673810 /nfs/dbraw/zinc/67/38/10/1075673810.db2.gz DEVUCYVCGAWUGJ-DOTOQJQBSA-N 1 2 405.886 1.660 20 0 HDADLO O=C(NCCN1C(=O)CSC1=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732243355 1075678229 /nfs/dbraw/zinc/67/82/29/1075678229.db2.gz PHZDNTUVWBCCKZ-GFCCVEGCSA-N 1 2 412.462 1.924 20 0 HDADLO O=C(NCCN1C(=O)CSC1=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732243355 1075678232 /nfs/dbraw/zinc/67/82/32/1075678232.db2.gz PHZDNTUVWBCCKZ-GFCCVEGCSA-N 1 2 412.462 1.924 20 0 HDADLO CNC(=O)c1cc(Oc2cc(N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)ccc2C)ccn1 ZINC000804207544 1075681641 /nfs/dbraw/zinc/68/16/41/1075681641.db2.gz KMAOVFUZCUXLOB-KRWDZBQOSA-N 1 2 420.429 1.933 20 0 HDADLO C[C@@H](c1cccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)c1)[NH+]1CCOCC1 ZINC000485015841 1075686208 /nfs/dbraw/zinc/68/62/08/1075686208.db2.gz UXAPRGAKMPYLPS-AWEZNQCLSA-N 1 2 417.539 1.868 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccncc1OCc1ccccc1 ZINC000509250419 1075692793 /nfs/dbraw/zinc/69/27/93/1075692793.db2.gz HRIXMRPYRMKLBR-FQEVSTJZSA-N 1 2 414.506 1.495 20 0 HDADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3nc(N)nc(N4CCOCC4)n3)n2)C1 ZINC000561103533 1075693759 /nfs/dbraw/zinc/69/37/59/1075693759.db2.gz JXQKMJBLPUHOPS-GFCCVEGCSA-N 1 2 418.527 1.231 20 0 HDADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nc(N)nc(N4CCOCC4)n3)n2)C1 ZINC000561103533 1075693763 /nfs/dbraw/zinc/69/37/63/1075693763.db2.gz JXQKMJBLPUHOPS-GFCCVEGCSA-N 1 2 418.527 1.231 20 0 HDADLO CCCCNc1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc(N)[nH+]1 ZINC000553279786 1075694059 /nfs/dbraw/zinc/69/40/59/1075694059.db2.gz HAKDWXYMTPWTSW-UHFFFAOYSA-N 1 2 405.528 1.245 20 0 HDADLO CCCCNc1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)[nH+]c(N)n1 ZINC000553279786 1075694062 /nfs/dbraw/zinc/69/40/62/1075694062.db2.gz HAKDWXYMTPWTSW-UHFFFAOYSA-N 1 2 405.528 1.245 20 0 HDADLO COc1cc(C[NH+]2CCN([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)cc(OC)c1 ZINC000476998397 1075695604 /nfs/dbraw/zinc/69/56/04/1075695604.db2.gz TVOCCGXWLUQLMC-AWEZNQCLSA-N 1 2 401.515 1.416 20 0 HDADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCN(c4c[nH]c(=O)nc4N)CC3)cn2c1 ZINC000470963195 1075712135 /nfs/dbraw/zinc/71/21/35/1075712135.db2.gz ZLIHYAFXJWVJOP-UHFFFAOYSA-N 1 2 413.507 1.303 20 0 HDADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000553799778 1075714169 /nfs/dbraw/zinc/71/41/69/1075714169.db2.gz RCZFSFLYIWBDQX-GDBMZVCRSA-N 1 2 415.460 2.407 20 0 HDADLO COc1cccc([C@@H](O)C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000732346429 1075717418 /nfs/dbraw/zinc/71/74/18/1075717418.db2.gz GVSQADVAWKATTM-OAQYLSRUSA-N 1 2 414.458 1.743 20 0 HDADLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O)c1ccccc1 ZINC000732347488 1075717993 /nfs/dbraw/zinc/71/79/93/1075717993.db2.gz DRMKTJFYWULEBT-LJQANCHMSA-N 1 2 419.503 1.899 20 0 HDADLO Cc1cc(N2CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000429473136 1075733166 /nfs/dbraw/zinc/73/31/66/1075733166.db2.gz QCOXQWWKVSKJBO-UAGQMJEPSA-N 1 2 400.527 1.749 20 0 HDADLO COC(=O)N1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732453173 1075742353 /nfs/dbraw/zinc/74/23/53/1075742353.db2.gz BMINIMVLFCDIKT-LJQANCHMSA-N 1 2 404.511 1.460 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCCC[C@@H]1C1OCCO1 ZINC000732476308 1075756976 /nfs/dbraw/zinc/75/69/76/1075756976.db2.gz DEGDXEVTMYIVOQ-VQTJNVASSA-N 1 2 403.523 1.867 20 0 HDADLO COc1ccc([C@H](O)CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000732476527 1075757409 /nfs/dbraw/zinc/75/74/09/1075757409.db2.gz MZZPNKHNRCROAX-IFMALSPDSA-N 1 2 413.518 1.971 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCC[C@@H](C2OCCO2)C1 ZINC000732476479 1075757630 /nfs/dbraw/zinc/75/76/30/1075757630.db2.gz LLWRHGVTXKVHKP-UXHICEINSA-N 1 2 403.523 1.724 20 0 HDADLO Nc1nc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)nc(Nc2ccc(F)cc2)n1 ZINC000426123547 1075761807 /nfs/dbraw/zinc/76/18/07/1075761807.db2.gz OATRKLXZMJUIAN-SNVBAGLBSA-N 1 2 413.379 1.837 20 0 HDADLO Nc1nc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)nc(Nc2ccc(F)cc2)n1 ZINC000426123547 1075761814 /nfs/dbraw/zinc/76/18/14/1075761814.db2.gz OATRKLXZMJUIAN-SNVBAGLBSA-N 1 2 413.379 1.837 20 0 HDADLO CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000448484011 1075768107 /nfs/dbraw/zinc/76/81/07/1075768107.db2.gz AEUFVONHUWILLF-LJQANCHMSA-N 1 2 413.522 2.057 20 0 HDADLO Cc1nc(N(C)C)nc(NCCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)[nH+]1 ZINC001063345433 1075786633 /nfs/dbraw/zinc/78/66/33/1075786633.db2.gz PZNDBDDINQZZNY-WKULXVSPSA-N 1 2 400.527 1.710 20 0 HDADLO C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448496827 1075791507 /nfs/dbraw/zinc/79/15/07/1075791507.db2.gz RHZKGFXXDDPZTJ-OAHLLOKOSA-N 1 2 419.913 2.027 20 0 HDADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccon1 ZINC000544565996 1075797437 /nfs/dbraw/zinc/79/74/37/1075797437.db2.gz QXHNNHQUUPUJPK-KGLIPLIRSA-N 1 2 408.480 1.373 20 0 HDADLO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000611038363 1075818686 /nfs/dbraw/zinc/81/86/86/1075818686.db2.gz QKTRWKVFOIPEJL-YESZJQIVSA-N 1 2 402.557 1.466 20 0 HDADLO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000611038363 1075818691 /nfs/dbraw/zinc/81/86/91/1075818691.db2.gz QKTRWKVFOIPEJL-YESZJQIVSA-N 1 2 402.557 1.466 20 0 HDADLO CNC(=O)Cn1nc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1C ZINC000443603177 1075821943 /nfs/dbraw/zinc/82/19/43/1075821943.db2.gz JENBUIUSIFNDHM-UHFFFAOYSA-N 1 2 404.902 1.771 20 0 HDADLO CNC(=O)Cn1nc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1C ZINC000443603177 1075821949 /nfs/dbraw/zinc/82/19/49/1075821949.db2.gz JENBUIUSIFNDHM-UHFFFAOYSA-N 1 2 404.902 1.771 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000732703009 1075836996 /nfs/dbraw/zinc/83/69/96/1075836996.db2.gz JEMKMWXKBBRJIC-AWEZNQCLSA-N 1 2 423.461 1.791 20 0 HDADLO CCOC(=O)Cn1cccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1=O ZINC000611099109 1075842240 /nfs/dbraw/zinc/84/22/40/1075842240.db2.gz SYKAOJFAXMWXET-UHFFFAOYSA-N 1 2 409.446 1.978 20 0 HDADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ncn(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550588051 1075847884 /nfs/dbraw/zinc/84/78/84/1075847884.db2.gz HXPSMPATGNHNAW-CABCVRRESA-N 1 2 408.865 1.886 20 0 HDADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ncn(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550588051 1075847894 /nfs/dbraw/zinc/84/78/94/1075847894.db2.gz HXPSMPATGNHNAW-CABCVRRESA-N 1 2 408.865 1.886 20 0 HDADLO CC(C)CSCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000611131480 1075848417 /nfs/dbraw/zinc/84/84/17/1075848417.db2.gz KDSXINXFHJZDTB-UHFFFAOYSA-N 1 2 406.552 1.518 20 0 HDADLO CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000596171744 1075849548 /nfs/dbraw/zinc/84/95/48/1075849548.db2.gz DIZAAUNOQVXJLT-UHFFFAOYSA-N 1 2 400.483 1.998 20 0 HDADLO CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000596042108 1075864636 /nfs/dbraw/zinc/86/46/36/1075864636.db2.gz VLRZXFSIJQGIGF-UHFFFAOYSA-N 1 2 406.508 1.650 20 0 HDADLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812312 1075873388 /nfs/dbraw/zinc/87/33/88/1075873388.db2.gz ADWKTIRFPQGYCP-GXTWGEPZSA-N 1 2 400.401 1.496 20 0 HDADLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812312 1075873391 /nfs/dbraw/zinc/87/33/91/1075873391.db2.gz ADWKTIRFPQGYCP-GXTWGEPZSA-N 1 2 400.401 1.496 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000732824493 1075880100 /nfs/dbraw/zinc/88/01/00/1075880100.db2.gz HWTPHWMACVISNX-PXNSSMCTSA-N 1 2 410.584 1.381 20 0 HDADLO COc1c(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)nn1C ZINC000732850415 1075885441 /nfs/dbraw/zinc/88/54/41/1075885441.db2.gz JUBQGPXRLZLCCG-UHFFFAOYSA-N 1 2 402.451 1.365 20 0 HDADLO Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000732897438 1075899691 /nfs/dbraw/zinc/89/96/91/1075899691.db2.gz QQWHCXXLLFTNKI-NRFANRHFSA-N 1 2 410.518 1.531 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)[NH+]1CCN(C)CC1 ZINC000732912348 1075910140 /nfs/dbraw/zinc/91/01/40/1075910140.db2.gz KNEUKDQTFXGLKW-NSHDSACASA-N 1 2 406.399 1.667 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc[nH]c1=S ZINC000732915404 1075911504 /nfs/dbraw/zinc/91/15/04/1075911504.db2.gz HDYLRZNTWVCLPV-AWEZNQCLSA-N 1 2 400.508 1.396 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc[nH]c1=S ZINC000732915404 1075911507 /nfs/dbraw/zinc/91/15/07/1075911507.db2.gz HDYLRZNTWVCLPV-AWEZNQCLSA-N 1 2 400.508 1.396 20 0 HDADLO C[C@H](Cc1ccco1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915204 1075912256 /nfs/dbraw/zinc/91/22/56/1075912256.db2.gz YLZYESVJVANFFW-SJORKVTESA-N 1 2 414.510 1.805 20 0 HDADLO C[C@H](Cc1ccco1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915204 1075912258 /nfs/dbraw/zinc/91/22/58/1075912258.db2.gz YLZYESVJVANFFW-SJORKVTESA-N 1 2 414.510 1.805 20 0 HDADLO CCOC(=O)c1sc2[nH]c([C@H](C)N3CC[NH+]([C@@H]4CCOC4)CC3)nc(=O)c2c1C ZINC000611348680 1075912820 /nfs/dbraw/zinc/91/28/20/1075912820.db2.gz HMRBBIQTJFIGNC-UONOGXRCSA-N 1 2 420.535 1.937 20 0 HDADLO O=C(/C=C\c1cncc(F)c1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916690 1075912903 /nfs/dbraw/zinc/91/29/03/1075912903.db2.gz SFLHIIGZQVDNMP-DDKKJVIOSA-N 1 2 412.469 1.646 20 0 HDADLO O=C(/C=C\c1cncc(F)c1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916690 1075912906 /nfs/dbraw/zinc/91/29/06/1075912906.db2.gz SFLHIIGZQVDNMP-DDKKJVIOSA-N 1 2 412.469 1.646 20 0 HDADLO Cc1cccn2cc(CC(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)[nH+]c12 ZINC000732943705 1075920738 /nfs/dbraw/zinc/92/07/38/1075920738.db2.gz CLUMYBHKTWJLIY-UHFFFAOYSA-N 1 2 400.451 1.566 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)no1 ZINC000489681962 1075926001 /nfs/dbraw/zinc/92/60/01/1075926001.db2.gz UOOFLSOHKAAHMO-MRXNPFEDSA-N 1 2 409.450 1.476 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000732970662 1075928580 /nfs/dbraw/zinc/92/85/80/1075928580.db2.gz IQKWEWDZZCNFGR-UHFFFAOYSA-N 1 2 412.462 1.926 20 0 HDADLO Cc1noc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)n1 ZINC001079252190 1075967302 /nfs/dbraw/zinc/96/73/02/1075967302.db2.gz CASSXLDPPBKKCO-XWEXYQFDSA-N 1 2 414.506 1.241 20 0 HDADLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080182126 1075985561 /nfs/dbraw/zinc/98/55/61/1075985561.db2.gz UAOCVUHWHFUSFX-SUKQMUEJSA-N 1 2 402.451 1.318 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080182126 1075985564 /nfs/dbraw/zinc/98/55/64/1075985564.db2.gz UAOCVUHWHFUSFX-SUKQMUEJSA-N 1 2 402.451 1.318 20 0 HDADLO C[C@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000508975553 1075986317 /nfs/dbraw/zinc/98/63/17/1075986317.db2.gz GTZFJECBBODUEI-FXAWDEMLSA-N 1 2 411.506 1.764 20 0 HDADLO Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2[nH]c1=S ZINC000733157581 1075989976 /nfs/dbraw/zinc/98/99/76/1075989976.db2.gz AGDCQMBKRVIJRQ-OAHLLOKOSA-N 1 2 402.520 1.595 20 0 HDADLO CO[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959552 1076019580 /nfs/dbraw/zinc/01/95/80/1076019580.db2.gz MQKMSWBSCMRMGZ-QQEKQYBASA-N 1 2 408.502 1.611 20 0 HDADLO CO[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959552 1076019588 /nfs/dbraw/zinc/01/95/88/1076019588.db2.gz MQKMSWBSCMRMGZ-QQEKQYBASA-N 1 2 408.502 1.611 20 0 HDADLO COc1ccc2[nH]cc(CCNC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2c1 ZINC000733348418 1076048648 /nfs/dbraw/zinc/04/86/48/1076048648.db2.gz NILMGZVGZGUSIG-UHFFFAOYSA-N 1 2 422.551 1.527 20 0 HDADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000727137084 1076051740 /nfs/dbraw/zinc/05/17/40/1076051740.db2.gz JZNNUUHQAXCNKF-INIZCTEOSA-N 1 2 406.531 1.264 20 0 HDADLO C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@H]1COc2ccccc2O1 ZINC000053403246 1076056447 /nfs/dbraw/zinc/05/64/47/1076056447.db2.gz MGKXPQTUVVXVES-KRWDZBQOSA-N 1 2 401.438 1.806 20 0 HDADLO C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@H]1COc2ccccc2O1 ZINC000053403246 1076056455 /nfs/dbraw/zinc/05/64/55/1076056455.db2.gz MGKXPQTUVVXVES-KRWDZBQOSA-N 1 2 401.438 1.806 20 0 HDADLO O=C(NCCCn1cc[nH+]c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000053510093 1076057719 /nfs/dbraw/zinc/05/77/19/1076057719.db2.gz SNRZCYNTSWDPBQ-UHFFFAOYSA-N 1 2 411.915 1.643 20 0 HDADLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cn3c(=O)sc4c3CCCC4)CC2)C1 ZINC000727165228 1076066968 /nfs/dbraw/zinc/06/69/68/1076066968.db2.gz AETKMVPTNXFWNA-IRXDYDNUSA-N 1 2 406.596 1.868 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000727173735 1076069362 /nfs/dbraw/zinc/06/93/62/1076069362.db2.gz TYFDSIVBEQIPTN-HSZRJFAPSA-N 1 2 424.501 1.397 20 0 HDADLO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000727731004 1076213319 /nfs/dbraw/zinc/21/33/19/1076213319.db2.gz PWCWHJYNOGKYNA-OAQYLSRUSA-N 1 2 420.558 1.798 20 0 HDADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000727736197 1076214397 /nfs/dbraw/zinc/21/43/97/1076214397.db2.gz JGSDGZBNXATACP-CECVADTLSA-N 1 2 421.501 1.919 20 0 HDADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727738077 1076214978 /nfs/dbraw/zinc/21/49/78/1076214978.db2.gz DWPOZZWHTUOHNB-CQSZACIVSA-N 1 2 422.482 1.590 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000727739555 1076215094 /nfs/dbraw/zinc/21/50/94/1076215094.db2.gz YKIVCDCWYUWJFE-QKKBWIMNSA-N 1 2 411.462 1.592 20 0 HDADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000733872162 1076225394 /nfs/dbraw/zinc/22/53/94/1076225394.db2.gz DJOUUEBVPGZDEA-UHFFFAOYSA-N 1 2 404.423 1.747 20 0 HDADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000727752699 1076226786 /nfs/dbraw/zinc/22/67/86/1076226786.db2.gz VTWVYRXJNFUDGD-GOSISDBHSA-N 1 2 402.495 1.411 20 0 HDADLO CC(C)(CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)[NH+]1CCOCC1 ZINC000057771384 1076232393 /nfs/dbraw/zinc/23/23/93/1076232393.db2.gz HPBKETWPUOJLTG-UHFFFAOYSA-N 1 2 424.295 1.272 20 0 HDADLO CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531922924 1076237807 /nfs/dbraw/zinc/23/78/07/1076237807.db2.gz WZFFDDNQKDFDRP-IEBWSBKVSA-N 1 2 402.495 1.652 20 0 HDADLO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533826914 1076244675 /nfs/dbraw/zinc/24/46/75/1076244675.db2.gz KNGICFIKBVLJTL-IBGZPJMESA-N 1 2 415.515 1.781 20 0 HDADLO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000533826914 1076244681 /nfs/dbraw/zinc/24/46/81/1076244681.db2.gz KNGICFIKBVLJTL-IBGZPJMESA-N 1 2 415.515 1.781 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000533829790 1076245011 /nfs/dbraw/zinc/24/50/11/1076245011.db2.gz FGKDATNNNSCIRC-GOSISDBHSA-N 1 2 401.488 1.473 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000533829790 1076245015 /nfs/dbraw/zinc/24/50/15/1076245015.db2.gz FGKDATNNNSCIRC-GOSISDBHSA-N 1 2 401.488 1.473 20 0 HDADLO Cc1c(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000533829124 1076245050 /nfs/dbraw/zinc/24/50/50/1076245050.db2.gz MJCLBRIJRYMRNA-IBGZPJMESA-N 1 2 419.485 1.726 20 0 HDADLO Cc1c(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000533829124 1076245054 /nfs/dbraw/zinc/24/50/54/1076245054.db2.gz MJCLBRIJRYMRNA-IBGZPJMESA-N 1 2 419.485 1.726 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000535268057 1076251044 /nfs/dbraw/zinc/25/10/44/1076251044.db2.gz FLOMKGFWWZCXGE-MRXNPFEDSA-N 1 2 421.544 1.686 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000535268057 1076251046 /nfs/dbraw/zinc/25/10/46/1076251046.db2.gz FLOMKGFWWZCXGE-MRXNPFEDSA-N 1 2 421.544 1.686 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)C1 ZINC000536033235 1076254117 /nfs/dbraw/zinc/25/41/17/1076254117.db2.gz ZGILOZCQGASWLS-GOSISDBHSA-N 1 2 401.488 1.473 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)C1 ZINC000536033235 1076254122 /nfs/dbraw/zinc/25/41/22/1076254122.db2.gz ZGILOZCQGASWLS-GOSISDBHSA-N 1 2 401.488 1.473 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000536031359 1076254397 /nfs/dbraw/zinc/25/43/97/1076254397.db2.gz HNRSIVCIDKRSIP-HXUWFJFHSA-N 1 2 422.485 1.400 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000536031359 1076254403 /nfs/dbraw/zinc/25/44/03/1076254403.db2.gz HNRSIVCIDKRSIP-HXUWFJFHSA-N 1 2 422.485 1.400 20 0 HDADLO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000733893693 1076254519 /nfs/dbraw/zinc/25/45/19/1076254519.db2.gz HVULUURNOZGHBW-QGZVFWFLSA-N 1 2 411.499 1.174 20 0 HDADLO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000733893693 1076254523 /nfs/dbraw/zinc/25/45/23/1076254523.db2.gz HVULUURNOZGHBW-QGZVFWFLSA-N 1 2 411.499 1.174 20 0 HDADLO CC(C)(C)/C=C\C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065701000 1076257081 /nfs/dbraw/zinc/25/70/81/1076257081.db2.gz WJAOLRIPFRUIAR-MCBNIRKOSA-N 1 2 401.551 1.757 20 0 HDADLO CC(C)(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065712500 1076257570 /nfs/dbraw/zinc/25/75/70/1076257570.db2.gz ZKCJXTINRAFTNB-SIFVSHMBSA-N 1 2 403.567 1.981 20 0 HDADLO O=C(NC1CC1)[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 ZINC000727838030 1076266345 /nfs/dbraw/zinc/26/63/45/1076266345.db2.gz ILTWEVPGMRRDJN-IBGZPJMESA-N 1 2 405.495 1.855 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1csc2cncn21 ZINC000733938650 1076269893 /nfs/dbraw/zinc/26/98/93/1076269893.db2.gz ZNHNJWXOLVCZCK-CQSZACIVSA-N 1 2 413.507 1.421 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1csc2cncn21 ZINC000733938650 1076269902 /nfs/dbraw/zinc/26/99/02/1076269902.db2.gz ZNHNJWXOLVCZCK-CQSZACIVSA-N 1 2 413.507 1.421 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1csc2cncn21 ZINC000733938649 1076269930 /nfs/dbraw/zinc/26/99/30/1076269930.db2.gz ZNHNJWXOLVCZCK-AWEZNQCLSA-N 1 2 413.507 1.421 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1csc2cncn21 ZINC000733938649 1076269937 /nfs/dbraw/zinc/26/99/37/1076269937.db2.gz ZNHNJWXOLVCZCK-AWEZNQCLSA-N 1 2 413.507 1.421 20 0 HDADLO O=C(COC(=O)c1ccc(N2CCCC2)nn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000727875019 1076281982 /nfs/dbraw/zinc/28/19/82/1076281982.db2.gz MFBSEWRXEHVZKO-UHFFFAOYSA-N 1 2 415.519 1.640 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)/C=C\c3cccnc3)cc2)CC1 ZINC000728030955 1076312094 /nfs/dbraw/zinc/31/20/94/1076312094.db2.gz WTXLUOQNKSHEGK-TWGQIWQCSA-N 1 2 422.529 1.997 20 0 HDADLO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000728137889 1076340690 /nfs/dbraw/zinc/34/06/90/1076340690.db2.gz KDGFWZUMNLTGAT-UHFFFAOYSA-N 1 2 413.453 1.345 20 0 HDADLO C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000728159786 1076350119 /nfs/dbraw/zinc/35/01/19/1076350119.db2.gz UERJUIBSAIUWGH-QFIPXVFZSA-N 1 2 423.473 1.320 20 0 HDADLO C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000728159771 1076350130 /nfs/dbraw/zinc/35/01/30/1076350130.db2.gz TUBIELQAJCQPLR-FQEVSTJZSA-N 1 2 413.503 1.255 20 0 HDADLO NC(=O)CCN(C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)c1ccc(F)cc1 ZINC000027342310 1076358976 /nfs/dbraw/zinc/35/89/76/1076358976.db2.gz FZVOWOVHXBREDV-UHFFFAOYSA-N 1 2 400.454 1.562 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000730130196 1076459387 /nfs/dbraw/zinc/45/93/87/1076459387.db2.gz HZZLQPYRXAVBTG-LBPRGKRZSA-N 1 2 413.316 1.978 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000730132753 1076459556 /nfs/dbraw/zinc/45/95/56/1076459556.db2.gz YZMWYOOWNGQJDN-MSOLQXFVSA-N 1 2 411.591 1.911 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000730228669 1076485711 /nfs/dbraw/zinc/48/57/11/1076485711.db2.gz VTLHAHSMXPCHMN-IEBWSBKVSA-N 1 2 404.555 1.875 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000730228145 1076486299 /nfs/dbraw/zinc/48/62/99/1076486299.db2.gz OYYVHZPKBLHNBR-SFHVURJKSA-N 1 2 402.539 1.787 20 0 HDADLO COCCS(=O)(=O)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000730235730 1076490603 /nfs/dbraw/zinc/49/06/03/1076490603.db2.gz LWBXMTNFXDKENH-UHFFFAOYSA-N 1 2 402.944 1.729 20 0 HDADLO Cc1cc(N2CCN(C(=O)CSCCS(C)(=O)=O)CC2)nc(C(C)C)[nH+]1 ZINC000730465362 1076579914 /nfs/dbraw/zinc/57/99/14/1076579914.db2.gz IVJSHPMZSDDFOM-UHFFFAOYSA-N 1 2 400.570 1.335 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000730506253 1076582999 /nfs/dbraw/zinc/58/29/99/1076582999.db2.gz LAFZQYVJEXMAAQ-UHFFFAOYSA-N 1 2 415.519 1.576 20 0 HDADLO CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1)O[C@@H](C)C2 ZINC000730546827 1076597881 /nfs/dbraw/zinc/59/78/81/1076597881.db2.gz WHJORBXHNKUKRR-QILLFSRXSA-N 1 2 401.507 1.532 20 0 HDADLO CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1)O[C@@H](C)C2 ZINC000730546827 1076597892 /nfs/dbraw/zinc/59/78/92/1076597892.db2.gz WHJORBXHNKUKRR-QILLFSRXSA-N 1 2 401.507 1.532 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(N4CCCCC4)nn3)CC2)C1=O ZINC001164642917 719267703 /nfs/dbraw/zinc/26/77/03/719267703.db2.gz ZUJQPLGKQNLJKD-UHFFFAOYSA-N 1 2 402.543 1.226 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(N4CCCCC4)nn3)CC2)C1=O ZINC001164642917 719267705 /nfs/dbraw/zinc/26/77/05/719267705.db2.gz ZUJQPLGKQNLJKD-UHFFFAOYSA-N 1 2 402.543 1.226 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc(SC)n3)CC2)C1=O ZINC001164633880 719271604 /nfs/dbraw/zinc/27/16/04/719271604.db2.gz JEIQRLABVFLAMO-UHFFFAOYSA-N 1 2 400.936 1.006 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc(SC)n3)CC2)C1=O ZINC001164633880 719271606 /nfs/dbraw/zinc/27/16/06/719271606.db2.gz JEIQRLABVFLAMO-UHFFFAOYSA-N 1 2 400.936 1.006 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(COC)nc(SC)n3)CC2)C1=O ZINC001164635683 719274358 /nfs/dbraw/zinc/27/43/58/719274358.db2.gz TURJPRIDTZTMOM-UHFFFAOYSA-N 1 2 409.556 1.104 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(COC)nc(SC)n3)CC2)C1=O ZINC001164635683 719274360 /nfs/dbraw/zinc/27/43/60/719274360.db2.gz TURJPRIDTZTMOM-UHFFFAOYSA-N 1 2 409.556 1.104 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)C1=O ZINC001164638013 719277501 /nfs/dbraw/zinc/27/75/01/719277501.db2.gz BZCWITASMPCLSU-UHFFFAOYSA-N 1 2 415.538 1.077 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)C1=O ZINC001164638013 719277506 /nfs/dbraw/zinc/27/75/06/719277506.db2.gz BZCWITASMPCLSU-UHFFFAOYSA-N 1 2 415.538 1.077 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C(=O)N(C)C)cc3Cl)CC2)C1=O ZINC001164644091 719281198 /nfs/dbraw/zinc/28/11/98/719281198.db2.gz CFTDVCXBUNWLIN-UHFFFAOYSA-N 1 2 423.945 1.196 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C(=O)N(C)C)cc3Cl)CC2)C1=O ZINC001164644091 719281200 /nfs/dbraw/zinc/28/12/00/719281200.db2.gz CFTDVCXBUNWLIN-UHFFFAOYSA-N 1 2 423.945 1.196 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccsc4)nn3)CC2)C1=O ZINC001164644726 719283535 /nfs/dbraw/zinc/28/35/35/719283535.db2.gz SLMRNDBCWBZURL-UHFFFAOYSA-N 1 2 401.536 1.965 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccsc4)nn3)CC2)C1=O ZINC001164644726 719283541 /nfs/dbraw/zinc/28/35/41/719283541.db2.gz SLMRNDBCWBZURL-UHFFFAOYSA-N 1 2 401.536 1.965 20 0 HDADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(C)C[C@H](O)CO)c2c1C ZINC001164667971 719366106 /nfs/dbraw/zinc/36/61/06/719366106.db2.gz MGWAENHCPXZKQJ-AWEZNQCLSA-N 1 2 422.551 1.952 20 0 HDADLO NS(=O)(=O)c1cccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164679088 719532646 /nfs/dbraw/zinc/53/26/46/719532646.db2.gz RPRUZKBLFYFNMY-UHFFFAOYSA-N 1 2 420.510 1.740 20 0 HDADLO NS(=O)(=O)c1cccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164679088 719532662 /nfs/dbraw/zinc/53/26/62/719532662.db2.gz RPRUZKBLFYFNMY-UHFFFAOYSA-N 1 2 420.510 1.740 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCCC1 ZINC001164702598 719838190 /nfs/dbraw/zinc/83/81/90/719838190.db2.gz OEGCBMLGXYXUHF-VGOFRKELSA-N 1 2 416.522 1.550 20 0 HDADLO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164696920 719839404 /nfs/dbraw/zinc/83/94/04/719839404.db2.gz BFASIEKAHKHYBK-YJYMSZOUSA-N 1 2 411.886 1.754 20 0 HDADLO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707156 719848187 /nfs/dbraw/zinc/84/81/87/719848187.db2.gz ZOJTWBZEONJIEA-QRWLVFNGSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2ccc(OC)cc2n1 ZINC001164706987 719848461 /nfs/dbraw/zinc/84/84/61/719848461.db2.gz YRCFGLDPUGQHNC-IERDGZPVSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)c1c[nH]c2nc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ccc12 ZINC001164698018 719848506 /nfs/dbraw/zinc/84/85/06/719848506.db2.gz DIWCIHOHAMGDOO-LHSJRXKWSA-N 1 2 416.478 1.582 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2C ZINC001164700426 719850112 /nfs/dbraw/zinc/85/01/12/719850112.db2.gz KNNMYQASDVPOSM-KPZWWZAWSA-N 1 2 408.890 1.249 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC(C)(C)C)cn1 ZINC001164706407 719855025 /nfs/dbraw/zinc/85/50/25/719855025.db2.gz XEMOHHCBNAVAOS-VGOFRKELSA-N 1 2 418.538 1.843 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ncsc21 ZINC001164706524 719855567 /nfs/dbraw/zinc/85/55/67/719855567.db2.gz YAGXRURGLRZHOV-GTNSWQLSSA-N 1 2 411.915 1.972 20 0 HDADLO COC(=O)c1nc(Cl)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164700601 719855791 /nfs/dbraw/zinc/85/57/91/719855791.db2.gz IELYKJOLLSFDSP-KZULUSFZSA-N 1 2 412.874 1.149 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(N2CCCCC2)n1 ZINC001164698760 719861116 /nfs/dbraw/zinc/86/11/16/719861116.db2.gz DNUCUZPIGVDUHK-DYESRHJHSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C(=O)N(C)OC ZINC001164702374 719863385 /nfs/dbraw/zinc/86/33/85/719863385.db2.gz IPYGDNGSSGEZFO-KKSFZXQISA-N 1 2 420.510 1.256 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(CO)c1C(OC)OC ZINC001164706489 719863491 /nfs/dbraw/zinc/86/34/91/719863491.db2.gz XWQSTPSPGNXQNC-IERDGZPVSA-N 1 2 423.510 1.098 20 0 HDADLO CCCNC(=O)c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706584 719868434 /nfs/dbraw/zinc/86/84/34/719868434.db2.gz QBGFMVAULGKSOH-KKSFZXQISA-N 1 2 404.511 1.454 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ncn2C1CC1 ZINC001164701223 719869937 /nfs/dbraw/zinc/86/99/37/719869937.db2.gz GBUFDIMWYCJTIW-FOIQADDNSA-N 1 2 400.483 1.394 20 0 HDADLO COCCOC(=O)c1ccnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164707792 719877319 /nfs/dbraw/zinc/87/73/19/719877319.db2.gz VKYRCJIWDXABDQ-LAUBAEHRSA-N 1 2 421.494 1.118 20 0 HDADLO CSc1nc(Cl)ncc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708447 719907351 /nfs/dbraw/zinc/90/73/51/719907351.db2.gz DGMDHHJJXPJDHW-UHFFFAOYSA-N 1 2 421.958 1.536 20 0 HDADLO CSc1cc(C)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708381 719909926 /nfs/dbraw/zinc/90/99/26/719909926.db2.gz BRPDOMHIEDRXRD-UHFFFAOYSA-N 1 2 401.540 1.191 20 0 HDADLO COc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ccc1Cl ZINC001164708337 719918205 /nfs/dbraw/zinc/91/82/05/719918205.db2.gz JTXVMPKNGNASJO-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cccnc1Cl)CC2 ZINC001164705472 719931578 /nfs/dbraw/zinc/93/15/78/719931578.db2.gz YTZHYIYWQFISJV-UHFFFAOYSA-N 1 2 424.883 1.964 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164703831 719931863 /nfs/dbraw/zinc/93/18/63/719931863.db2.gz NINTUTNPVZACAT-UHFFFAOYSA-N 1 2 424.553 1.151 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cc(F)ccc31)CC2 ZINC001164703255 719935909 /nfs/dbraw/zinc/93/59/09/719935909.db2.gz JYTPSOAZVOXFJX-UHFFFAOYSA-N 1 2 409.469 1.453 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3ccoc31)CC2 ZINC001164704779 719937614 /nfs/dbraw/zinc/93/76/14/719937614.db2.gz RLPUBNMQGLAQBW-UHFFFAOYSA-N 1 2 415.885 1.560 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC)cc3Cl)C2)C1 ZINC001164718910 720211208 /nfs/dbraw/zinc/21/12/08/720211208.db2.gz OVYHHYJKWQTWEV-IBGZPJMESA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC)cc3Cl)C2)C1 ZINC001164718910 720211221 /nfs/dbraw/zinc/21/12/21/720211221.db2.gz OVYHHYJKWQTWEV-IBGZPJMESA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3COC4(C)C)C2)C1 ZINC001164718265 720231530 /nfs/dbraw/zinc/23/15/30/720231530.db2.gz DBOWEHDHVKEVIO-HXUWFJFHSA-N 1 2 423.945 1.560 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3COC4(C)C)C2)C1 ZINC001164718265 720231544 /nfs/dbraw/zinc/23/15/44/720231544.db2.gz DBOWEHDHVKEVIO-HXUWFJFHSA-N 1 2 423.945 1.560 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164717505 720250885 /nfs/dbraw/zinc/25/08/85/720250885.db2.gz AAPYZVKGXPSLPZ-ZWKOTPCHSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164717505 720250893 /nfs/dbraw/zinc/25/08/93/720250893.db2.gz AAPYZVKGXPSLPZ-ZWKOTPCHSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4cccnc4F)n3)C2)C1 ZINC001164723869 720270309 /nfs/dbraw/zinc/27/03/09/720270309.db2.gz YOVWSPHZRGDBLY-NRFANRHFSA-N 1 2 414.485 1.343 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4cccnc4F)n3)C2)C1 ZINC001164723869 720270313 /nfs/dbraw/zinc/27/03/13/720270313.db2.gz YOVWSPHZRGDBLY-NRFANRHFSA-N 1 2 414.485 1.343 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc[nH]c4nc(=S)sc3-4)C2)C1 ZINC001164723837 720277898 /nfs/dbraw/zinc/27/78/98/720277898.db2.gz YLAXOOWRNUKFIL-KRWDZBQOSA-N 1 2 408.553 1.040 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc[nH]c4nc(=S)sc3-4)C2)C1 ZINC001164723837 720277902 /nfs/dbraw/zinc/27/79/02/720277902.db2.gz YLAXOOWRNUKFIL-KRWDZBQOSA-N 1 2 408.553 1.040 20 0 HDADLO CCOc1nccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820764 720371630 /nfs/dbraw/zinc/37/16/30/720371630.db2.gz UGUDRFCDYLAVTR-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO CCOc1nccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820764 720371635 /nfs/dbraw/zinc/37/16/35/720371635.db2.gz UGUDRFCDYLAVTR-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1F)C2 ZINC001164827263 720430741 /nfs/dbraw/zinc/43/07/41/720430741.db2.gz SFUUSTSJNGMWMU-CYBMUJFWSA-N 1 2 410.881 1.455 20 0 HDADLO COc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C)c1 ZINC001164823488 720449835 /nfs/dbraw/zinc/44/98/35/720449835.db2.gz KJCYJXDQPRTRCN-KRWDZBQOSA-N 1 2 401.511 1.585 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)c3cc[nH]c31)C2 ZINC001164831304 720465749 /nfs/dbraw/zinc/46/57/49/720465749.db2.gz OLWKZNBEUYTBQL-OAHLLOKOSA-N 1 2 414.485 1.888 20 0 HDADLO CCOc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164830137 720470697 /nfs/dbraw/zinc/47/06/97/720470697.db2.gz JBEHQZRSFBBGNH-MRXNPFEDSA-N 1 2 402.499 1.061 20 0 HDADLO CCSc1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833111 720473970 /nfs/dbraw/zinc/47/39/70/720473970.db2.gz YOIXPUATZHATJD-MRXNPFEDSA-N 1 2 418.567 1.775 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc3c(n1)CCCC3)C2 ZINC001164834139 720477818 /nfs/dbraw/zinc/47/78/18/720477818.db2.gz SDAHDVQLXGTRQC-KRWDZBQOSA-N 1 2 412.538 1.542 20 0 HDADLO CCCc1nccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164834801 720482571 /nfs/dbraw/zinc/48/25/71/720482571.db2.gz VDEKGAFUWDSHEA-KRWDZBQOSA-N 1 2 400.527 1.615 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164858594 720895341 /nfs/dbraw/zinc/89/53/41/720895341.db2.gz LWYKUZJVLQVQAV-UHFFFAOYSA-N 1 2 407.812 1.887 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164859439 720896611 /nfs/dbraw/zinc/89/66/11/720896611.db2.gz QXIDMFZTEKQHGA-KRWDZBQOSA-N 1 2 405.821 1.469 20 0 HDADLO COc1cc(OC)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164916018 721782699 /nfs/dbraw/zinc/78/26/99/721782699.db2.gz NRVDVBSOPWRWNF-NRFANRHFSA-N 1 2 400.479 1.602 20 0 HDADLO COc1cc(OC)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164916018 721782700 /nfs/dbraw/zinc/78/27/00/721782700.db2.gz NRVDVBSOPWRWNF-NRFANRHFSA-N 1 2 400.479 1.602 20 0 HDADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915214 721783968 /nfs/dbraw/zinc/78/39/68/721783968.db2.gz KJXJDICGEBACOD-OPAMFIHVSA-N 1 2 424.505 1.425 20 0 HDADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915214 721783970 /nfs/dbraw/zinc/78/39/70/721783970.db2.gz KJXJDICGEBACOD-OPAMFIHVSA-N 1 2 424.505 1.425 20 0 HDADLO C[C@H]1C(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915580 721785709 /nfs/dbraw/zinc/78/57/09/721785709.db2.gz LLNQFOBCOXFULD-VFNWGFHPSA-N 1 2 410.478 1.035 20 0 HDADLO C[C@H]1C(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915580 721785713 /nfs/dbraw/zinc/78/57/13/721785713.db2.gz LLNQFOBCOXFULD-VFNWGFHPSA-N 1 2 410.478 1.035 20 0 HDADLO C[NH+]1CCN(c2ncnc3c2CCN(c2nc[nH]c4nc(=S)sc2-4)CC3)CC1 ZINC001165002242 722236654 /nfs/dbraw/zinc/23/66/54/722236654.db2.gz SAIHGNJIRGAQIA-UHFFFAOYSA-N 1 2 414.564 1.522 20 0 HDADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429042772 1073456076 /nfs/dbraw/zinc/45/60/76/1073456076.db2.gz RHCZNTATHVGFNU-RTBURBONSA-N 1 2 409.552 1.496 20 0 HDADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429042772 1073456085 /nfs/dbraw/zinc/45/60/85/1073456085.db2.gz RHCZNTATHVGFNU-RTBURBONSA-N 1 2 409.552 1.496 20 0 HDADLO O=C(NCCc1ccn(-c2ccc(F)cc2)n1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671395311 1073459295 /nfs/dbraw/zinc/45/92/95/1073459295.db2.gz UKMFZVIMSRRKSD-UHFFFAOYSA-N 1 2 421.476 1.802 20 0 HDADLO O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000625097478 1073487580 /nfs/dbraw/zinc/48/75/80/1073487580.db2.gz HFSMIGPRQUDRKZ-CQSZACIVSA-N 1 2 410.400 1.618 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000509086214 1073499232 /nfs/dbraw/zinc/49/92/32/1073499232.db2.gz SOKLPMHDOOEFTO-OAHLLOKOSA-N 1 2 421.523 1.212 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000509086214 1073499237 /nfs/dbraw/zinc/49/92/37/1073499237.db2.gz SOKLPMHDOOEFTO-OAHLLOKOSA-N 1 2 421.523 1.212 20 0 HDADLO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000429064932 1073502463 /nfs/dbraw/zinc/50/24/63/1073502463.db2.gz YCMNUCKZSSCQIR-UHFFFAOYSA-N 1 2 406.508 1.850 20 0 HDADLO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000429088405 1073539276 /nfs/dbraw/zinc/53/92/76/1073539276.db2.gz SLQDESCXXIJXGI-HNAYVOBHSA-N 1 2 408.572 1.744 20 0 HDADLO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001128519185 1073568814 /nfs/dbraw/zinc/56/88/14/1073568814.db2.gz MDXXUMHXQJKRNE-CZUORRHYSA-N 1 2 407.517 1.663 20 0 HDADLO CC(=O)N1CCc2cc(S(=O)(=O)NCC3([NH+]4CCOCC4)CCCCC3)ccc21 ZINC000015328811 1073600011 /nfs/dbraw/zinc/60/00/11/1073600011.db2.gz BQRJUFRLWKZOPI-UHFFFAOYSA-N 1 2 421.563 1.909 20 0 HDADLO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000509129501 1073679423 /nfs/dbraw/zinc/67/94/23/1073679423.db2.gz WTPBALFBIUWXOU-MRXNPFEDSA-N 1 2 423.498 1.791 20 0 HDADLO Cc1nc2sccn2c(=O)c1CC[N@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000509129501 1073679429 /nfs/dbraw/zinc/67/94/29/1073679429.db2.gz WTPBALFBIUWXOU-MRXNPFEDSA-N 1 2 423.498 1.791 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)NC(=O)Nc1ccc(OC)cc1)c1ccccn1 ZINC000509144093 1073716107 /nfs/dbraw/zinc/71/61/07/1073716107.db2.gz ZNXCOUXXYSRJEH-FQEVSTJZSA-N 1 2 400.435 1.806 20 0 HDADLO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781668 1073716212 /nfs/dbraw/zinc/71/62/12/1073716212.db2.gz DKAFTGNYDLCHGR-RTBURBONSA-N 1 2 403.479 1.116 20 0 HDADLO CCOc1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)O[C@@H](C)C2 ZINC000673785676 1073726840 /nfs/dbraw/zinc/72/68/40/1073726840.db2.gz XFHLADPSEMJKQD-DOTOQJQBSA-N 1 2 417.506 1.670 20 0 HDADLO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673785104 1073728932 /nfs/dbraw/zinc/72/89/32/1073728932.db2.gz NWUJZRUBTAZRHA-SFHVURJKSA-N 1 2 402.495 1.088 20 0 HDADLO COCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000673785765 1073730710 /nfs/dbraw/zinc/73/07/10/1073730710.db2.gz YXOYWVBVVKATPI-MRXNPFEDSA-N 1 2 409.458 1.113 20 0 HDADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000673778695 1073733480 /nfs/dbraw/zinc/73/34/80/1073733480.db2.gz YIKYEHXJHYFBEL-IAGOWNOFSA-N 1 2 401.511 1.758 20 0 HDADLO CC(=O)N1CCC([N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc2cncs2)CC1 ZINC000429132741 1073737757 /nfs/dbraw/zinc/73/77/57/1073737757.db2.gz FCSQWTAJUGIGRA-UHFFFAOYSA-N 1 2 410.540 1.414 20 0 HDADLO CC(=O)N1CCC([N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc2cncs2)CC1 ZINC000429132741 1073737762 /nfs/dbraw/zinc/73/77/62/1073737762.db2.gz FCSQWTAJUGIGRA-UHFFFAOYSA-N 1 2 410.540 1.414 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)[nH+]c12 ZINC000673786998 1073740665 /nfs/dbraw/zinc/74/06/65/1073740665.db2.gz MZGQSJHLVVKVCW-UHFFFAOYSA-N 1 2 408.397 1.055 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(C(=O)N(C)C)c(C)c3)[nH+]c12 ZINC000673788481 1073741905 /nfs/dbraw/zinc/74/19/05/1073741905.db2.gz KMYCBTCIVBIJKP-UHFFFAOYSA-N 1 2 407.474 1.950 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)[nH+]c12 ZINC000673788568 1073741928 /nfs/dbraw/zinc/74/19/28/1073741928.db2.gz MTDMGIGUJBENDQ-UHFFFAOYSA-N 1 2 405.414 1.166 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cc(C(=O)N(C)C)ccc3C)[nH+]c12 ZINC000673788261 1073742490 /nfs/dbraw/zinc/74/24/90/1073742490.db2.gz JIHAVMKISFFXMP-UHFFFAOYSA-N 1 2 407.474 1.950 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(N4CCCNC4=O)c3)[nH+]c12 ZINC000673788152 1073742563 /nfs/dbraw/zinc/74/25/63/1073742563.db2.gz HYVVGZZHVCARON-UHFFFAOYSA-N 1 2 420.473 1.860 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccccn1 ZINC000509150070 1073747733 /nfs/dbraw/zinc/74/77/33/1073747733.db2.gz FGEKWPKFVFATHG-LJQANCHMSA-N 1 2 423.466 1.631 20 0 HDADLO COc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1NS(C)(=O)=O ZINC000673810235 1073754544 /nfs/dbraw/zinc/75/45/44/1073754544.db2.gz NHBGYNKYSUJKPJ-OAHLLOKOSA-N 1 2 412.512 1.395 20 0 HDADLO CCC[C@H]1CN(S(=O)(=O)c2c(C)[nH]c(C(=O)OCC)c2C)CC[N@@H+]1CCOC ZINC000501158844 1073759734 /nfs/dbraw/zinc/75/97/34/1073759734.db2.gz RXFXEEATSKPACT-INIZCTEOSA-N 1 2 415.556 1.930 20 0 HDADLO CCC[C@H]1CN(S(=O)(=O)c2c(C)[nH]c(C(=O)OCC)c2C)CC[N@H+]1CCOC ZINC000501158844 1073759744 /nfs/dbraw/zinc/75/97/44/1073759744.db2.gz RXFXEEATSKPACT-INIZCTEOSA-N 1 2 415.556 1.930 20 0 HDADLO CNC(=O)c1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000015469507 1073767204 /nfs/dbraw/zinc/76/72/04/1073767204.db2.gz LQUPTXISNCKLGF-KRWDZBQOSA-N 1 2 411.458 1.827 20 0 HDADLO CNC(=O)c1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000015469507 1073767214 /nfs/dbraw/zinc/76/72/14/1073767214.db2.gz LQUPTXISNCKLGF-KRWDZBQOSA-N 1 2 411.458 1.827 20 0 HDADLO C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCOc2cccc(F)c2)CCO1 ZINC001108089158 1073767881 /nfs/dbraw/zinc/76/78/81/1073767881.db2.gz DVSCWCPCUGMQBZ-MGKGBGQOSA-N 1 2 404.482 1.835 20 0 HDADLO C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCOc2cccc(F)c2)CCO1 ZINC001108089158 1073767889 /nfs/dbraw/zinc/76/78/89/1073767889.db2.gz DVSCWCPCUGMQBZ-MGKGBGQOSA-N 1 2 404.482 1.835 20 0 HDADLO Cc1cccn2cc(CCNS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)[nH+]c12 ZINC000673823272 1073768187 /nfs/dbraw/zinc/76/81/87/1073768187.db2.gz DJHQSJDXOPPWCR-UHFFFAOYSA-N 1 2 422.532 1.414 20 0 HDADLO O=C(N[C@@H]1Cc2cccc(O)c2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000429156273 1073802678 /nfs/dbraw/zinc/80/26/78/1073802678.db2.gz KXIJYGDJRWQLLZ-QGZVFWFLSA-N 1 2 424.505 1.018 20 0 HDADLO O=C(N[C@@H]1Cc2cccc(O)c2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000429156273 1073802698 /nfs/dbraw/zinc/80/26/98/1073802698.db2.gz KXIJYGDJRWQLLZ-QGZVFWFLSA-N 1 2 424.505 1.018 20 0 HDADLO O=C(NCc1csc(-c2ccco2)n1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673857025 1073825338 /nfs/dbraw/zinc/82/53/38/1073825338.db2.gz UZYSQKLOEPYZNC-HNNXBMFYSA-N 1 2 404.492 1.343 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000673871871 1073838799 /nfs/dbraw/zinc/83/87/99/1073838799.db2.gz DJQYCKOOSKLVGE-UHFFFAOYSA-N 1 2 404.515 1.082 20 0 HDADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000673876399 1073843825 /nfs/dbraw/zinc/84/38/25/1073843825.db2.gz FCEUANHWLJCQQO-UHFFFAOYSA-N 1 2 424.567 1.084 20 0 HDADLO C[C@@](CO)(CNC(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1)Cc1ccccc1 ZINC000483766508 1073844355 /nfs/dbraw/zinc/84/43/55/1073844355.db2.gz ZRAUHCHIPZFNCH-NRFANRHFSA-N 1 2 401.511 1.000 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429162252 1073881564 /nfs/dbraw/zinc/88/15/64/1073881564.db2.gz RXNDKKQQDDYCBC-IRXDYDNUSA-N 1 2 409.552 1.953 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000429162252 1073881576 /nfs/dbraw/zinc/88/15/76/1073881576.db2.gz RXNDKKQQDDYCBC-IRXDYDNUSA-N 1 2 409.552 1.953 20 0 HDADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000543503852 1073893943 /nfs/dbraw/zinc/89/39/43/1073893943.db2.gz QMGZZJIYPBAALR-RRFJBIMHSA-N 1 2 415.581 1.551 20 0 HDADLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000029930387 1073899578 /nfs/dbraw/zinc/89/95/78/1073899578.db2.gz OPFWQKVBZWYHNG-UHFFFAOYSA-N 1 2 400.504 1.694 20 0 HDADLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000029930387 1073899585 /nfs/dbraw/zinc/89/95/85/1073899585.db2.gz OPFWQKVBZWYHNG-UHFFFAOYSA-N 1 2 400.504 1.694 20 0 HDADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000673933823 1073905722 /nfs/dbraw/zinc/90/57/22/1073905722.db2.gz DKGIVDNROMHIQI-OAHLLOKOSA-N 1 2 421.494 1.757 20 0 HDADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)n1 ZINC000509174985 1073916755 /nfs/dbraw/zinc/91/67/55/1073916755.db2.gz XAVLIAMZVDFMOZ-INIZCTEOSA-N 1 2 405.499 1.331 20 0 HDADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000429176370 1073951576 /nfs/dbraw/zinc/95/15/76/1073951576.db2.gz WWPXFIFSJLFBNT-ZWKOTPCHSA-N 1 2 420.539 1.243 20 0 HDADLO O=C(/C=C\C1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001005039901 1073977257 /nfs/dbraw/zinc/97/72/57/1073977257.db2.gz LTXSKWJJBQYKTA-HDAZQCEESA-N 1 2 403.523 1.081 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@]3(C)CCOC3)cc2)CC1 ZINC000543524210 1073995572 /nfs/dbraw/zinc/99/55/72/1073995572.db2.gz LAVYFHAGEOKPEG-QFIPXVFZSA-N 1 2 403.523 1.315 20 0 HDADLO O=C(Nc1ccnn1Cc1cccc2ccccc21)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527649 1074016082 /nfs/dbraw/zinc/01/60/82/1074016082.db2.gz PTJGVKSHWATFGL-UHFFFAOYSA-N 1 2 407.474 1.160 20 0 HDADLO O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543530193 1074019570 /nfs/dbraw/zinc/01/95/70/1074019570.db2.gz SOXHJHHIJKQTIG-UHFFFAOYSA-N 1 2 424.217 1.543 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@@H](CCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766048552 1074041197 /nfs/dbraw/zinc/04/11/97/1074041197.db2.gz KVBFUJQQGZRXNH-KRWDZBQOSA-N 1 2 419.588 1.665 20 0 HDADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013769 1074063111 /nfs/dbraw/zinc/06/31/11/1074063111.db2.gz QZPBCAQLLWRYGU-KUHUBIRLSA-N 1 2 405.495 1.967 20 0 HDADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674013769 1074063116 /nfs/dbraw/zinc/06/31/16/1074063116.db2.gz QZPBCAQLLWRYGU-KUHUBIRLSA-N 1 2 405.495 1.967 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C ZINC000674023587 1074081776 /nfs/dbraw/zinc/08/17/76/1074081776.db2.gz KSCZASVXGWIVBV-KRWDZBQOSA-N 1 2 402.582 1.823 20 0 HDADLO COc1ccc([C@H](CNC(=O)NCC(C)(C)S(C)(=O)=O)[NH+](C)C)cc1OC ZINC000674027745 1074093685 /nfs/dbraw/zinc/09/36/85/1074093685.db2.gz VYMGRZBOCVGABQ-AWEZNQCLSA-N 1 2 401.529 1.429 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000674040204 1074123750 /nfs/dbraw/zinc/12/37/50/1074123750.db2.gz LWHVJPMOZWFQPM-XMSQKQJNSA-N 1 2 416.522 1.070 20 0 HDADLO Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000059385309 1074148161 /nfs/dbraw/zinc/14/81/61/1074148161.db2.gz VJTIUQFDLZQODY-UHFFFAOYSA-N 1 2 419.551 1.260 20 0 HDADLO CCOC1CC(CNC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)([NH+]2CCOCC2)C1 ZINC001128617253 1074186123 /nfs/dbraw/zinc/18/61/23/1074186123.db2.gz UEXURXOPFKKVOK-RZFJCUDFSA-N 1 2 415.534 1.535 20 0 HDADLO COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C[NH+]3CCOCC3)nn2C)cc1OC ZINC001128643441 1074201088 /nfs/dbraw/zinc/20/10/88/1074201088.db2.gz WCGHGPORMDDEAT-HNNXBMFYSA-N 1 2 402.495 1.897 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(OCC(=O)N(C)C)c1 ZINC000674204508 1074220479 /nfs/dbraw/zinc/22/04/79/1074220479.db2.gz YTPSRRYWDXFKKY-MRXNPFEDSA-N 1 2 413.478 1.461 20 0 HDADLO C[C@@H](c1ccccc1)[C@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000674215435 1074228747 /nfs/dbraw/zinc/22/87/47/1074228747.db2.gz HQCQNPXWHLGDPM-AVRDEDQJSA-N 1 2 424.545 1.653 20 0 HDADLO CSc1ccncc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000674266992 1074254929 /nfs/dbraw/zinc/25/49/29/1074254929.db2.gz NSVKWNZJKXZWFL-UHFFFAOYSA-N 1 2 400.504 1.891 20 0 HDADLO COC1CC[NH+](CCNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 ZINC000674324406 1074274739 /nfs/dbraw/zinc/27/47/39/1074274739.db2.gz OELJXOQGKRPTCT-UHFFFAOYSA-N 1 2 418.519 1.145 20 0 HDADLO O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000674368498 1074298567 /nfs/dbraw/zinc/29/85/67/1074298567.db2.gz OWQIQQJWYZZORY-LJQANCHMSA-N 1 2 408.458 1.521 20 0 HDADLO O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000674368498 1074298568 /nfs/dbraw/zinc/29/85/68/1074298568.db2.gz OWQIQQJWYZZORY-LJQANCHMSA-N 1 2 408.458 1.521 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000674424111 1074325931 /nfs/dbraw/zinc/32/59/31/1074325931.db2.gz GRXVSUYCLXTZCI-YWZLYKJASA-N 1 2 400.483 1.202 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1 ZINC000674440252 1074338369 /nfs/dbraw/zinc/33/83/69/1074338369.db2.gz PBIMSPPPNLUUMP-YVHKJVDXSA-N 1 2 424.505 1.724 20 0 HDADLO O=C(NCC1(c2ccccc2Br)CC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000509226980 1074346691 /nfs/dbraw/zinc/34/66/91/1074346691.db2.gz XRANBCXWCBKYTE-CYBMUJFWSA-N 1 2 417.307 1.925 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O ZINC000674467222 1074364704 /nfs/dbraw/zinc/36/47/04/1074364704.db2.gz CSHRIGGCZUKSDY-INIZCTEOSA-N 1 2 408.886 1.146 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)CCOc3ccc(Cl)cc3)CCN2C1=O ZINC000674467222 1074364714 /nfs/dbraw/zinc/36/47/14/1074364714.db2.gz CSHRIGGCZUKSDY-INIZCTEOSA-N 1 2 408.886 1.146 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CCN2C1=O ZINC000674466954 1074365210 /nfs/dbraw/zinc/36/52/10/1074365210.db2.gz AGXQPAGAZXFQQI-LSDHHAIUSA-N 1 2 410.396 1.779 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CCN2C1=O ZINC000674466954 1074365222 /nfs/dbraw/zinc/36/52/22/1074365222.db2.gz AGXQPAGAZXFQQI-LSDHHAIUSA-N 1 2 410.396 1.779 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@H](C)c3cc(OC)c(OC)cc3C)CCN2C1=O ZINC000674501624 1074397787 /nfs/dbraw/zinc/39/77/87/1074397787.db2.gz OEENJHOYOQOOEF-GDBMZVCRSA-N 1 2 418.494 1.158 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@H](C)c3cc(OC)c(OC)cc3C)CCN2C1=O ZINC000674501624 1074397793 /nfs/dbraw/zinc/39/77/93/1074397793.db2.gz OEENJHOYOQOOEF-GDBMZVCRSA-N 1 2 418.494 1.158 20 0 HDADLO CC1(C)CC(=O)c2cc(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)c(=O)[nH]c2C1 ZINC001626099911 1074408551 /nfs/dbraw/zinc/40/85/51/1074408551.db2.gz CMTBRDKGYJJKDS-UHFFFAOYSA-N 1 2 417.506 1.554 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1C ZINC000674639118 1074498874 /nfs/dbraw/zinc/49/88/74/1074498874.db2.gz ORDZLYGQJAJHGZ-JLTOFOAXSA-N 1 2 403.483 1.569 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]cnc31)C2 ZINC001005454099 1074507541 /nfs/dbraw/zinc/50/75/41/1074507541.db2.gz WQGPLMVMYHXELY-NHQZAOEJSA-N 1 2 404.474 1.962 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000509233919 1074509888 /nfs/dbraw/zinc/50/98/88/1074509888.db2.gz LMVYGUIIXNRTEE-GOSISDBHSA-N 1 2 417.597 1.678 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000509233919 1074509891 /nfs/dbraw/zinc/50/98/91/1074509891.db2.gz LMVYGUIIXNRTEE-GOSISDBHSA-N 1 2 417.597 1.678 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1 ZINC000674686454 1074523759 /nfs/dbraw/zinc/52/37/59/1074523759.db2.gz PJSYZBJFEZYVOD-INIZCTEOSA-N 1 2 402.476 1.776 20 0 HDADLO C[N@H+](CCO)CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000674700488 1074528273 /nfs/dbraw/zinc/52/82/73/1074528273.db2.gz RYLSBRMQNYOZDU-UHFFFAOYSA-N 1 2 403.932 1.767 20 0 HDADLO C[N@@H+](CCO)CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000674700488 1074528279 /nfs/dbraw/zinc/52/82/79/1074528279.db2.gz RYLSBRMQNYOZDU-UHFFFAOYSA-N 1 2 403.932 1.767 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)[nH+]c12 ZINC000674700801 1074528559 /nfs/dbraw/zinc/52/85/59/1074528559.db2.gz XDHJQSSYZAIPOZ-UHFFFAOYSA-N 1 2 405.524 1.441 20 0 HDADLO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000674690298 1074529951 /nfs/dbraw/zinc/52/99/51/1074529951.db2.gz QLFTYXOCMNDIJG-ZWKOTPCHSA-N 1 2 406.552 1.162 20 0 HDADLO CCOCC[NH+]1CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)CC1 ZINC000674892642 1074598425 /nfs/dbraw/zinc/59/84/25/1074598425.db2.gz UGPQJTDXYYPZGA-UHFFFAOYSA-N 1 2 402.886 1.921 20 0 HDADLO O=C(Nc1cccn(Cc2ccccc2)c1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674886332 1074603822 /nfs/dbraw/zinc/60/38/22/1074603822.db2.gz OYVNKGVEARMELU-LJQANCHMSA-N 1 2 424.501 1.158 20 0 HDADLO O=C(CN1CCO[C@@H]([C@H]2CCCO2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000674910754 1074615112 /nfs/dbraw/zinc/61/51/12/1074615112.db2.gz WBPNZVJISIVNGF-FGZHOGPDSA-N 1 2 415.534 1.146 20 0 HDADLO O=C(CN1CCO[C@@H]([C@@H]2CCCO2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000674913628 1074618829 /nfs/dbraw/zinc/61/88/29/1074618829.db2.gz GEAXVAXCRDKAEN-LEWJYISDSA-N 1 2 403.523 1.015 20 0 HDADLO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1C1CCCCC1 ZINC000580489528 1074679899 /nfs/dbraw/zinc/67/98/99/1074679899.db2.gz NXUZXUWDGZIHEH-CALCHBBNSA-N 1 2 405.543 2.203 20 0 HDADLO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1C1CCCCC1 ZINC000580489528 1074679907 /nfs/dbraw/zinc/67/99/07/1074679907.db2.gz NXUZXUWDGZIHEH-CALCHBBNSA-N 1 2 405.543 2.203 20 0 HDADLO COC(=O)C1(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CCSCC1 ZINC000547986161 1074691334 /nfs/dbraw/zinc/69/13/34/1074691334.db2.gz FUNUAVDEPBJWOQ-UHFFFAOYSA-N 1 2 400.504 2.566 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CCN2C1=O ZINC000675093227 1074717287 /nfs/dbraw/zinc/71/72/87/1074717287.db2.gz CSAOLKUPKSVIDS-MRXNPFEDSA-N 1 2 400.414 1.189 20 0 HDADLO C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(=O)N1CCCC[C@H]1C ZINC000543614520 1074724356 /nfs/dbraw/zinc/72/43/56/1074724356.db2.gz FRCKTODANCXXLK-CVEARBPZSA-N 1 2 416.526 1.380 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCNC(=O)[C@@H]3c3ccccc3)ccn2)CC1 ZINC000543615116 1074739559 /nfs/dbraw/zinc/73/95/59/1074739559.db2.gz RDHVDOAMDQTLHE-IBGZPJMESA-N 1 2 422.489 1.174 20 0 HDADLO Cc1cc(NC(=O)C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000546852925 1074749400 /nfs/dbraw/zinc/74/94/00/1074749400.db2.gz IXMKILNQWKETDS-UHFFFAOYSA-N 1 2 406.240 1.999 20 0 HDADLO O=C(COc1ccccc1)N1CCC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000675218921 1074760686 /nfs/dbraw/zinc/76/06/86/1074760686.db2.gz LHLBJBARVXXNIG-IBGZPJMESA-N 1 2 401.507 1.237 20 0 HDADLO CCC(=O)Nc1cccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000525232011 1074772206 /nfs/dbraw/zinc/77/22/06/1074772206.db2.gz IGLLLOPPUBHEME-UHFFFAOYSA-N 1 2 400.483 1.886 20 0 HDADLO O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000429326208 1074778616 /nfs/dbraw/zinc/77/86/16/1074778616.db2.gz CQPFVWJKWQGMTN-NHCUHLMSSA-N 1 2 414.550 1.726 20 0 HDADLO C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000675281403 1074786622 /nfs/dbraw/zinc/78/66/22/1074786622.db2.gz QTMJETIUKSKOMM-HKUYNNGSSA-N 1 2 421.563 1.796 20 0 HDADLO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438344702 1074787235 /nfs/dbraw/zinc/78/72/35/1074787235.db2.gz ZRMBTUJIDCNCCF-KRWDZBQOSA-N 1 2 416.501 2.002 20 0 HDADLO O=C(C[NH+]1CCN(c2cccs2)CC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000466670883 1074789046 /nfs/dbraw/zinc/78/90/46/1074789046.db2.gz KJHCUNBRPFZIRZ-UHFFFAOYSA-N 1 2 404.561 1.916 20 0 HDADLO Cc1cc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)nn1[C@@H](C)C1CC1 ZINC000583394116 1074790919 /nfs/dbraw/zinc/79/09/19/1074790919.db2.gz LSLYDEBFRMEGAT-KRWDZBQOSA-N 1 2 424.549 2.487 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN3C[C@@H](CO)Oc4ccccc43)CC2)cc1 ZINC000675307903 1074796119 /nfs/dbraw/zinc/79/61/19/1074796119.db2.gz XPFYWBAXYLDRJS-FQEVSTJZSA-N 1 2 411.502 1.599 20 0 HDADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)c(=O)[nH]c1=O ZINC000675325753 1074807346 /nfs/dbraw/zinc/80/73/46/1074807346.db2.gz CYUQUTKLHIQYAF-UHFFFAOYSA-N 1 2 412.490 1.891 20 0 HDADLO Cc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3nnc(-c4ccco4)o3)CC2)no1 ZINC000535320415 1074819251 /nfs/dbraw/zinc/81/92/51/1074819251.db2.gz DVXSYHMTCBKLQZ-UHFFFAOYSA-N 1 2 400.395 1.915 20 0 HDADLO CCCCOc1ncccc1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438321036 1075100524 /nfs/dbraw/zinc/10/05/24/1075100524.db2.gz DFNLCPHERJNKHK-UHFFFAOYSA-N 1 2 402.499 2.111 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000670511750 1075115656 /nfs/dbraw/zinc/11/56/56/1075115656.db2.gz PYVMFEJTTDVOQM-UHFFFAOYSA-N 1 2 401.429 1.545 20 0 HDADLO O=C1COc2cc(S(=O)(=O)N3CC[NH+](CCCCF)CC3)c(Cl)cc2N1 ZINC000509244692 1075125260 /nfs/dbraw/zinc/12/52/60/1075125260.db2.gz DHFUIZVIDYWNLN-UHFFFAOYSA-N 1 2 405.879 1.727 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@H]3CCOC3)cc2)CC1 ZINC000675409906 1075135259 /nfs/dbraw/zinc/13/52/59/1075135259.db2.gz QHRCJBRYJWHNSM-PKOBYXMFSA-N 1 2 402.539 1.694 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000441795728 1075149031 /nfs/dbraw/zinc/14/90/31/1075149031.db2.gz NTPCVNZUIKACMY-LJQANCHMSA-N 1 2 424.505 2.229 20 0 HDADLO NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000144315335 1075168226 /nfs/dbraw/zinc/16/82/26/1075168226.db2.gz AHDPPQVVBFNHSL-UHFFFAOYSA-N 1 2 402.451 1.908 20 0 HDADLO COc1cc(OC)c(OC)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000766142305 1075168699 /nfs/dbraw/zinc/16/86/99/1075168699.db2.gz PMTVRSCTMGGXQY-UHFFFAOYSA-N 1 2 415.512 1.343 20 0 HDADLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)C[C@@H]1C ZINC000472419337 1075171444 /nfs/dbraw/zinc/17/14/44/1075171444.db2.gz YKKGEQQUSNJIFF-ROUUACIJSA-N 1 2 413.522 1.918 20 0 HDADLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)C[C@@H]1C ZINC000472419337 1075171450 /nfs/dbraw/zinc/17/14/50/1075171450.db2.gz YKKGEQQUSNJIFF-ROUUACIJSA-N 1 2 413.522 1.918 20 0 HDADLO COCCNC(=O)c1ccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)nc1 ZINC000498933541 1075175060 /nfs/dbraw/zinc/17/50/60/1075175060.db2.gz ZTARYJOBVVUCJJ-UHFFFAOYSA-N 1 2 417.554 1.594 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)[C@@H](C)CO1 ZINC000509249475 1075176737 /nfs/dbraw/zinc/17/67/37/1075176737.db2.gz RBHPFRBXVLCXMX-FZKCQIBNSA-N 1 2 405.561 1.946 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)[C@@H](C)CO1 ZINC000509249475 1075176740 /nfs/dbraw/zinc/17/67/40/1075176740.db2.gz RBHPFRBXVLCXMX-FZKCQIBNSA-N 1 2 405.561 1.946 20 0 HDADLO O=S(=O)(NCCc1nnnn1-c1ccccc1)c1ccccc1Cn1cc[nH+]c1 ZINC000509344405 1075179802 /nfs/dbraw/zinc/17/98/02/1075179802.db2.gz NALJORKGJNHHTA-UHFFFAOYSA-N 1 2 409.475 1.428 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000438318136 1075186134 /nfs/dbraw/zinc/18/61/34/1075186134.db2.gz CADFTGDXYUSPES-FQEVSTJZSA-N 1 2 413.522 2.428 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000470489888 1075189497 /nfs/dbraw/zinc/18/94/97/1075189497.db2.gz MQTCFSDLQJIMFP-UHFFFAOYSA-N 1 2 402.430 1.883 20 0 HDADLO CN1CCc2ccc(NC(=O)C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2C1=O ZINC000675512263 1075190393 /nfs/dbraw/zinc/19/03/93/1075190393.db2.gz LGIODPMBTJFXTK-UHFFFAOYSA-N 1 2 417.469 1.814 20 0 HDADLO O=C(c1nc(N2CCCC2)ncc1Cl)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000675536739 1075194579 /nfs/dbraw/zinc/19/45/79/1075194579.db2.gz FQBLZSNXTJPNGX-HNNXBMFYSA-N 1 2 409.918 1.294 20 0 HDADLO COc1ccc([C@H](CNC(=O)N2CCC(S(C)(=O)=O)CC2)[NH+](C)C)cc1OC ZINC000675529160 1075200415 /nfs/dbraw/zinc/20/04/15/1075200415.db2.gz MDKWVRGXNDOLHX-INIZCTEOSA-N 1 2 413.540 1.525 20 0 HDADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675574023 1075209175 /nfs/dbraw/zinc/20/91/75/1075209175.db2.gz ILWLLMIMMCVSPZ-RTWAWAEBSA-N 1 2 414.550 1.978 20 0 HDADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675574023 1075209177 /nfs/dbraw/zinc/20/91/77/1075209177.db2.gz ILWLLMIMMCVSPZ-RTWAWAEBSA-N 1 2 414.550 1.978 20 0 HDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000581162282 1075211614 /nfs/dbraw/zinc/21/16/14/1075211614.db2.gz LWBFEPZVHZPJAC-UHFFFAOYSA-N 1 2 410.522 2.396 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)CC1 ZINC000675583410 1075212875 /nfs/dbraw/zinc/21/28/75/1075212875.db2.gz IPNDUUPFNSQROV-UHFFFAOYSA-N 1 2 422.493 1.586 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](Cc2nnc3n2c2ccccc2c(=O)n3CC)CC1 ZINC000675584226 1075213136 /nfs/dbraw/zinc/21/31/36/1075213136.db2.gz YYTUMCIFGAYTMQ-UHFFFAOYSA-N 1 2 422.493 1.761 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000675583595 1075213457 /nfs/dbraw/zinc/21/34/57/1075213457.db2.gz MAPFMLDJIOJKIL-UHFFFAOYSA-N 1 2 409.512 1.761 20 0 HDADLO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000675622393 1075241605 /nfs/dbraw/zinc/24/16/05/1075241605.db2.gz DPDPARLTZSOYTD-OAHLLOKOSA-N 1 2 424.548 1.785 20 0 HDADLO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000675622393 1075241608 /nfs/dbraw/zinc/24/16/08/1075241608.db2.gz DPDPARLTZSOYTD-OAHLLOKOSA-N 1 2 424.548 1.785 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000426680112 1075246947 /nfs/dbraw/zinc/24/69/47/1075246947.db2.gz KTURIAHYJOJMCL-HNNXBMFYSA-N 1 2 400.483 1.731 20 0 HDADLO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1C ZINC000675702165 1075256800 /nfs/dbraw/zinc/25/68/00/1075256800.db2.gz XNLZNHYHYVJXRN-RTBURBONSA-N 1 2 416.522 1.960 20 0 HDADLO CCCC(=O)NC1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000675741656 1075261910 /nfs/dbraw/zinc/26/19/10/1075261910.db2.gz JXJFCOBEXLXWEZ-UHFFFAOYSA-N 1 2 415.538 1.418 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000731336554 1075308610 /nfs/dbraw/zinc/30/86/10/1075308610.db2.gz QTRZPASKIDNUOA-MRXNPFEDSA-N 1 2 407.515 1.801 20 0 HDADLO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(n3cccn3)CC2)C1=O ZINC000731353783 1075317184 /nfs/dbraw/zinc/31/71/84/1075317184.db2.gz FIPHCEDSUIRCBR-JOCHJYFZSA-N 1 2 424.505 1.495 20 0 HDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000676026183 1075328823 /nfs/dbraw/zinc/32/88/23/1075328823.db2.gz GWYLKMVSWZAMTH-UXHICEINSA-N 1 2 416.566 1.885 20 0 HDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000676026183 1075328826 /nfs/dbraw/zinc/32/88/26/1075328826.db2.gz GWYLKMVSWZAMTH-UXHICEINSA-N 1 2 416.566 1.885 20 0 HDADLO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000429390764 1075332456 /nfs/dbraw/zinc/33/24/56/1075332456.db2.gz WTNYLEPXKUGUCO-YSVMAZNTSA-N 1 2 419.555 1.275 20 0 HDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000546811336 1075347185 /nfs/dbraw/zinc/34/71/85/1075347185.db2.gz LFAFWUKLPPNBPZ-IBGZPJMESA-N 1 2 411.524 1.720 20 0 HDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+]1CCC[C@@]1(C)CO ZINC000546811336 1075347189 /nfs/dbraw/zinc/34/71/89/1075347189.db2.gz LFAFWUKLPPNBPZ-IBGZPJMESA-N 1 2 411.524 1.720 20 0 HDADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)c1C ZINC000731457392 1075364974 /nfs/dbraw/zinc/36/49/74/1075364974.db2.gz IVPJHSOTOLVFKE-UHFFFAOYSA-N 1 2 414.447 1.048 20 0 HDADLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000731480595 1075371906 /nfs/dbraw/zinc/37/19/06/1075371906.db2.gz ABDALQJPMVLFHN-CVEARBPZSA-N 1 2 417.572 1.259 20 0 HDADLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000731480595 1075371911 /nfs/dbraw/zinc/37/19/11/1075371911.db2.gz ABDALQJPMVLFHN-CVEARBPZSA-N 1 2 417.572 1.259 20 0 HDADLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035446042 1075386331 /nfs/dbraw/zinc/38/63/31/1075386331.db2.gz HOGBVOMWTZZFLD-NALHQMNBSA-N 1 2 400.519 1.923 20 0 HDADLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035446042 1075386343 /nfs/dbraw/zinc/38/63/43/1075386343.db2.gz HOGBVOMWTZZFLD-NALHQMNBSA-N 1 2 400.519 1.923 20 0 HDADLO COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)C2)c1 ZINC000804118025 1075413954 /nfs/dbraw/zinc/41/39/54/1075413954.db2.gz IUZLNEHVSPHDLP-IAGOWNOFSA-N 1 2 411.506 1.530 20 0 HDADLO Cc1c(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nnn1-c1ccc(C)cc1 ZINC000731648414 1075426356 /nfs/dbraw/zinc/42/63/56/1075426356.db2.gz DITSSUBRQGAHJF-UHFFFAOYSA-N 1 2 419.551 1.052 20 0 HDADLO CC(C)(C)n1ncc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1C(F)(F)F ZINC000731648347 1075426937 /nfs/dbraw/zinc/42/69/37/1075426937.db2.gz LXCFJCLUHYESFV-UHFFFAOYSA-N 1 2 424.489 1.896 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000731648232 1075427265 /nfs/dbraw/zinc/42/72/65/1075427265.db2.gz IMOGNPSBVPZUKX-UHFFFAOYSA-N 1 2 417.531 1.899 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(F)cc2Br)CC1 ZINC000731647918 1075427720 /nfs/dbraw/zinc/42/77/20/1075427720.db2.gz FPTJMBPXOUUSQL-UHFFFAOYSA-N 1 2 407.305 1.827 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccccc2OCc2ccncc2)CC1 ZINC000731649383 1075428625 /nfs/dbraw/zinc/42/86/25/1075428625.db2.gz NKCNMIXAIVXVIA-UHFFFAOYSA-N 1 2 417.531 1.899 20 0 HDADLO Cc1ccc(C)n1-c1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1C ZINC000731649043 1075429098 /nfs/dbraw/zinc/42/90/98/1075429098.db2.gz VHRRAWZDPABSEA-UHFFFAOYSA-N 1 2 407.540 1.066 20 0 HDADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(c3nccs3)CC1)CC2 ZINC000676208782 1075429545 /nfs/dbraw/zinc/42/95/45/1075429545.db2.gz JUTFSBJDMZLKLF-UHFFFAOYSA-N 1 2 402.520 1.867 20 0 HDADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(c3nccs3)CC1)CC2 ZINC000676208782 1075429552 /nfs/dbraw/zinc/42/95/52/1075429552.db2.gz JUTFSBJDMZLKLF-UHFFFAOYSA-N 1 2 402.520 1.867 20 0 HDADLO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000551731210 1075430102 /nfs/dbraw/zinc/43/01/02/1075430102.db2.gz PNRVGQLNTNASKY-QAPCUYQASA-N 1 2 419.432 2.042 20 0 HDADLO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000551731210 1075430104 /nfs/dbraw/zinc/43/01/04/1075430104.db2.gz PNRVGQLNTNASKY-QAPCUYQASA-N 1 2 419.432 2.042 20 0 HDADLO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650350 1075431462 /nfs/dbraw/zinc/43/14/62/1075431462.db2.gz FATMYLIPMJOWDZ-INIZCTEOSA-N 1 2 401.573 1.039 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC1 ZINC000731650385 1075431506 /nfs/dbraw/zinc/43/15/06/1075431506.db2.gz HGBAUYALPABGLY-UHFFFAOYSA-N 1 2 400.501 1.230 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000731650103 1075432235 /nfs/dbraw/zinc/43/22/35/1075432235.db2.gz BDPOXFNOMGWCQC-SFHVURJKSA-N 1 2 421.563 1.164 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)o1 ZINC000676195565 1075432312 /nfs/dbraw/zinc/43/23/12/1075432312.db2.gz YOXVTEKXTNTJGB-QFBILLFUSA-N 1 2 424.505 1.777 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)o1 ZINC000676195565 1075432314 /nfs/dbraw/zinc/43/23/14/1075432314.db2.gz YOXVTEKXTNTJGB-QFBILLFUSA-N 1 2 424.505 1.777 20 0 HDADLO COc1cc(Br)c(CNC[C@@](C)(O)C[NH+]2CCOCC2)c(OC)c1 ZINC000676200801 1075434974 /nfs/dbraw/zinc/43/49/74/1075434974.db2.gz UVZUDPBYSMXAOM-QGZVFWFLSA-N 1 2 403.317 1.639 20 0 HDADLO Cc1ccc(C(=O)N[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C(C)C)cc1 ZINC000731651004 1075434980 /nfs/dbraw/zinc/43/49/80/1075434980.db2.gz PSIDFIWVWZAMMZ-LJQANCHMSA-N 1 2 423.579 1.375 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCc2cnn(-c3ccccc3)c2)CC1 ZINC000731650632 1075435406 /nfs/dbraw/zinc/43/54/06/1075435406.db2.gz JYVQGRSHRNZCSN-UHFFFAOYSA-N 1 2 404.536 1.430 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000731650567 1075435764 /nfs/dbraw/zinc/43/57/64/1075435764.db2.gz UIQPXVQSYUBDLG-UHFFFAOYSA-N 1 2 405.520 1.899 20 0 HDADLO CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1C ZINC000576244541 1075445748 /nfs/dbraw/zinc/44/57/48/1075445748.db2.gz ZRYMUBCQPRYGRV-CYBMUJFWSA-N 1 2 400.483 2.280 20 0 HDADLO COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438300108 1075446313 /nfs/dbraw/zinc/44/63/13/1075446313.db2.gz CDQCKGOINATUGS-HNNXBMFYSA-N 1 2 403.483 2.115 20 0 HDADLO COc1ccc([C@@H]2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cc1 ZINC000731686220 1075446645 /nfs/dbraw/zinc/44/66/45/1075446645.db2.gz OOMDQVYTQWEZBF-QGZVFWFLSA-N 1 2 409.552 1.703 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000731686271 1075447120 /nfs/dbraw/zinc/44/71/20/1075447120.db2.gz WAOBNRYQFNFSGC-SFHVURJKSA-N 1 2 413.515 1.418 20 0 HDADLO CN(CCOc1ccccc1F)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686059 1075448119 /nfs/dbraw/zinc/44/81/19/1075448119.db2.gz LKNMNAVPVMPKOB-UHFFFAOYSA-N 1 2 401.504 1.355 20 0 HDADLO CC(C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)N1CC[NH+](C)CC1 ZINC000731686843 1075450252 /nfs/dbraw/zinc/45/02/52/1075450252.db2.gz BWBNFEFIXAKMQW-SFHVURJKSA-N 1 2 401.486 1.373 20 0 HDADLO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)nnn1-c1cccc(Br)c1 ZINC000676260333 1075459342 /nfs/dbraw/zinc/45/93/42/1075459342.db2.gz IZJAIUGBBKKKQC-IAQYHMDHSA-N 1 2 408.300 1.787 20 0 HDADLO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nnn1-c1cccc(Br)c1 ZINC000676260333 1075459346 /nfs/dbraw/zinc/45/93/46/1075459346.db2.gz IZJAIUGBBKKKQC-IAQYHMDHSA-N 1 2 408.300 1.787 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000731681168 1075463745 /nfs/dbraw/zinc/46/37/45/1075463745.db2.gz LJGHRUBFGJOFIA-UHFFFAOYSA-N 1 2 413.931 1.296 20 0 HDADLO Cc1nc2ccccc2n1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731680876 1075464125 /nfs/dbraw/zinc/46/41/25/1075464125.db2.gz WGAFSAMONXTDCY-UHFFFAOYSA-N 1 2 407.540 1.153 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2)CC1 ZINC000731682507 1075464676 /nfs/dbraw/zinc/46/46/76/1075464676.db2.gz ZLDZTRNYBHRUOX-UHFFFAOYSA-N 1 2 418.357 1.757 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2sccc2Br)CC1 ZINC000731682517 1075464741 /nfs/dbraw/zinc/46/47/41/1075464741.db2.gz ZYHXNEMBPUWZOC-UHFFFAOYSA-N 1 2 424.386 1.819 20 0 HDADLO COCCOc1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731681828 1075465582 /nfs/dbraw/zinc/46/55/82/1075465582.db2.gz IOZSZRWEWNNFFW-UHFFFAOYSA-N 1 2 413.540 1.020 20 0 HDADLO CCc1cccc2c1OCC[C@@H]2NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683203 1075466065 /nfs/dbraw/zinc/46/60/65/1075466065.db2.gz MMSCHEOCIRRZSH-SFHVURJKSA-N 1 2 409.552 1.881 20 0 HDADLO CN(CCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731683384 1075466089 /nfs/dbraw/zinc/46/60/89/1075466089.db2.gz FDESVBAEFCRHFB-UHFFFAOYSA-N 1 2 410.584 1.711 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000731683857 1075468183 /nfs/dbraw/zinc/46/81/83/1075468183.db2.gz KGEHQCGKGMIXJT-AZUAARDMSA-N 1 2 423.579 1.963 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCOc2ccc(F)cc2F)CC1 ZINC000731684652 1075469604 /nfs/dbraw/zinc/46/96/04/1075469604.db2.gz FSYRGQPWZGGSKK-UHFFFAOYSA-N 1 2 405.467 1.152 20 0 HDADLO COc1cccc(Cc2nnc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)s2)c1 ZINC000432719595 1075475164 /nfs/dbraw/zinc/47/51/64/1075475164.db2.gz OGHJGNMYXQBVTK-MRXNPFEDSA-N 1 2 417.535 2.466 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000676274731 1075475311 /nfs/dbraw/zinc/47/53/11/1075475311.db2.gz BMAXSZDJXLJIFC-GOSISDBHSA-N 1 2 412.494 1.571 20 0 HDADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676289649 1075494422 /nfs/dbraw/zinc/49/44/22/1075494422.db2.gz HIDMNIZJUACGRW-KGLIPLIRSA-N 1 2 401.554 1.372 20 0 HDADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676289649 1075494425 /nfs/dbraw/zinc/49/44/25/1075494425.db2.gz HIDMNIZJUACGRW-KGLIPLIRSA-N 1 2 401.554 1.372 20 0 HDADLO Cc1nc(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)sc1S(N)(=O)=O ZINC000558756817 1075494715 /nfs/dbraw/zinc/49/47/15/1075494715.db2.gz OODRCAHRFCTDQB-INIZCTEOSA-N 1 2 409.581 1.890 20 0 HDADLO Cc1nc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)sc1S(N)(=O)=O ZINC000558756817 1075494718 /nfs/dbraw/zinc/49/47/18/1075494718.db2.gz OODRCAHRFCTDQB-INIZCTEOSA-N 1 2 409.581 1.890 20 0 HDADLO COCCCNC(=O)C1CC[NH+]([C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000466725683 1075494743 /nfs/dbraw/zinc/49/47/43/1075494743.db2.gz XQHARHVYUKJGKX-INIZCTEOSA-N 1 2 423.535 1.505 20 0 HDADLO O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429421693 1075498870 /nfs/dbraw/zinc/49/88/70/1075498870.db2.gz VQWNNHGERDRCJC-CVEARBPZSA-N 1 2 404.492 1.972 20 0 HDADLO CSCc1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731764886 1075500193 /nfs/dbraw/zinc/50/01/93/1075500193.db2.gz IKPKPUATUJEQTA-UHFFFAOYSA-N 1 2 413.565 1.113 20 0 HDADLO CC[C@H](c1nnc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)s1)c1ccccc1 ZINC000435133758 1075502144 /nfs/dbraw/zinc/50/21/44/1075502144.db2.gz SQFKKDMPXDJOMI-IRXDYDNUSA-N 1 2 419.551 2.237 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCC1(O)CCOCC1 ZINC000509402212 1075504083 /nfs/dbraw/zinc/50/40/83/1075504083.db2.gz HWNLBCMHKXQXLR-IBGZPJMESA-N 1 2 405.539 1.851 20 0 HDADLO C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676306646 1075504754 /nfs/dbraw/zinc/50/47/54/1075504754.db2.gz MJCLYHQEOTVPNI-DYXWJJEUSA-N 1 2 404.555 1.638 20 0 HDADLO C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306646 1075504756 /nfs/dbraw/zinc/50/47/56/1075504756.db2.gz MJCLYHQEOTVPNI-DYXWJJEUSA-N 1 2 404.555 1.638 20 0 HDADLO CC(=O)Nc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(F)cc1F ZINC000731752717 1075510121 /nfs/dbraw/zinc/51/01/21/1075510121.db2.gz MTEKUZMYQGIILS-UHFFFAOYSA-N 1 2 418.466 1.554 20 0 HDADLO O=C(c1ccc2n[nH]cc2c1)N1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676341116 1075513537 /nfs/dbraw/zinc/51/35/37/1075513537.db2.gz OBGPAWPYTVEBJC-PKOBYXMFSA-N 1 2 411.506 1.348 20 0 HDADLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000470224943 1075513979 /nfs/dbraw/zinc/51/39/79/1075513979.db2.gz ZKNSZTROZNTJTD-UHFFFAOYSA-N 1 2 409.552 1.654 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000676341911 1075514689 /nfs/dbraw/zinc/51/46/89/1075514689.db2.gz WTODXQCCQGTZEN-MOPGFXCFSA-N 1 2 421.563 1.329 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000470224945 1075515093 /nfs/dbraw/zinc/51/50/93/1075515093.db2.gz ZLIUFDDAYIWAFE-UHFFFAOYSA-N 1 2 411.568 1.900 20 0 HDADLO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676343021 1075515878 /nfs/dbraw/zinc/51/58/78/1075515878.db2.gz UPNSBQKJRCMWJI-PMACEKPBSA-N 1 2 421.563 1.162 20 0 HDADLO Cc1cc(C)c(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Cl)c1 ZINC000731764857 1075519783 /nfs/dbraw/zinc/51/97/83/1075519783.db2.gz GQQHQPZPKBVJKT-UHFFFAOYSA-N 1 2 415.943 1.521 20 0 HDADLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676348143 1075520289 /nfs/dbraw/zinc/52/02/89/1075520289.db2.gz OPKJODMDIQTECI-OCCSQVGLSA-N 1 2 405.524 1.278 20 0 HDADLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676348143 1075520294 /nfs/dbraw/zinc/52/02/94/1075520294.db2.gz OPKJODMDIQTECI-OCCSQVGLSA-N 1 2 405.524 1.278 20 0 HDADLO O=C(NC[C@@H](O)c1ccc2ccccc2c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731827853 1075526060 /nfs/dbraw/zinc/52/60/60/1075526060.db2.gz CJLDIQDIYSGMGR-LEWJYISDSA-N 1 2 411.502 1.170 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)c2)cc[nH+]1 ZINC000541678010 1075536976 /nfs/dbraw/zinc/53/69/76/1075536976.db2.gz NPMYNQBWLGYHBZ-UHFFFAOYSA-N 1 2 405.462 1.620 20 0 HDADLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000731862166 1075542226 /nfs/dbraw/zinc/54/22/26/1075542226.db2.gz CRNBZBUIVPNREP-ZDUSSCGKSA-N 1 2 412.899 1.493 20 0 HDADLO O=C(CN1CCC[C@@H](n2cc[nH+]c2)C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000676478383 1075560190 /nfs/dbraw/zinc/56/01/90/1075560190.db2.gz NIKXOOANVKBLPW-MOPGFXCFSA-N 1 2 408.568 1.868 20 0 HDADLO NC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(-n2cc[nH+]c2)c1 ZINC001129216462 1075561762 /nfs/dbraw/zinc/56/17/62/1075561762.db2.gz LLVPEODTCGLBRH-UHFFFAOYSA-N 1 2 417.425 1.986 20 0 HDADLO CNC(=O)c1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cc1 ZINC000676494775 1075565267 /nfs/dbraw/zinc/56/52/67/1075565267.db2.gz GMUAUFIUJFEOEC-UHFFFAOYSA-N 1 2 403.508 1.135 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3nccn3CC(F)(F)F)c[nH+]2)CC1 ZINC000676494780 1075565306 /nfs/dbraw/zinc/56/53/06/1075565306.db2.gz GRILSRNCGXTYDR-UHFFFAOYSA-N 1 2 418.445 1.534 20 0 HDADLO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000676496746 1075569069 /nfs/dbraw/zinc/56/90/69/1075569069.db2.gz XJANLBVAZPPCLT-FCEWJHQRSA-N 1 2 419.522 1.593 20 0 HDADLO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000676496746 1075569072 /nfs/dbraw/zinc/56/90/72/1075569072.db2.gz XJANLBVAZPPCLT-FCEWJHQRSA-N 1 2 419.522 1.593 20 0 HDADLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cn(-c2ccccc2)nn1 ZINC000473816480 1075589960 /nfs/dbraw/zinc/58/99/60/1075589960.db2.gz HFOWAQAVBGWJKN-MRXNPFEDSA-N 1 2 410.482 1.679 20 0 HDADLO O=C(Nc1ccc2c(cnn2C(F)F)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000676588737 1075607038 /nfs/dbraw/zinc/60/70/38/1075607038.db2.gz NCDJPUJCLUCARK-AWEZNQCLSA-N 1 2 407.421 1.551 20 0 HDADLO C[C@@H](CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)C[NH+]1CCOCC1 ZINC000543680283 1075616553 /nfs/dbraw/zinc/61/65/53/1075616553.db2.gz MWFHFYMFDDQVSC-HNNXBMFYSA-N 1 2 407.536 1.159 20 0 HDADLO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000732081459 1075619041 /nfs/dbraw/zinc/61/90/41/1075619041.db2.gz PWPVLOJEFIGWGL-MRXNPFEDSA-N 1 2 417.583 1.938 20 0 HDADLO CN(CCNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(=O)OC(C)(C)C ZINC000804183234 1075628471 /nfs/dbraw/zinc/62/84/71/1075628471.db2.gz PIUGABJZDKNNIR-UHFFFAOYSA-N 1 2 421.542 1.885 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000732121885 1075629299 /nfs/dbraw/zinc/62/92/99/1075629299.db2.gz PFZVSSVWRAYEGM-UHFFFAOYSA-N 1 2 413.515 1.405 20 0 HDADLO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000732128178 1075631448 /nfs/dbraw/zinc/63/14/48/1075631448.db2.gz UACIPGXKPYNIAZ-OAHLLOKOSA-N 1 2 413.515 1.451 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCCC3(O)CCOCC3)CC2)c1 ZINC000509427608 1075638853 /nfs/dbraw/zinc/63/88/53/1075638853.db2.gz YLFFVYOTLKXNHN-UHFFFAOYSA-N 1 2 407.511 1.333 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(CN2CC[NH+](Cc3c(C)noc3C)CC2)n1 ZINC000505808155 1075641839 /nfs/dbraw/zinc/64/18/39/1075641839.db2.gz GCWXRZJNVDEKCA-UHFFFAOYSA-N 1 2 424.509 1.551 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732167437 1075647902 /nfs/dbraw/zinc/64/79/02/1075647902.db2.gz ZUTWRVNWUJWTIF-NJRZHNRPSA-N 1 2 408.502 1.514 20 0 HDADLO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nc(N)nc(Nc3ccccc3CC)n1)CC2 ZINC000532571560 1075652329 /nfs/dbraw/zinc/65/23/29/1075652329.db2.gz GFLGWQDBPOAHGZ-MSOLQXFVSA-N 1 2 412.538 1.934 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1 ZINC000676717948 1075654546 /nfs/dbraw/zinc/65/45/46/1075654546.db2.gz QWOBUZIEIUHJJJ-QGZVFWFLSA-N 1 2 405.524 1.618 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1 ZINC000676717948 1075654549 /nfs/dbraw/zinc/65/45/49/1075654549.db2.gz QWOBUZIEIUHJJJ-QGZVFWFLSA-N 1 2 405.524 1.618 20 0 HDADLO C[C@H](NC(=O)CNC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C)c1ccc(F)cc1 ZINC000676717462 1075658692 /nfs/dbraw/zinc/65/86/92/1075658692.db2.gz KVBLPPNASQWGNX-KSSFIOAISA-N 1 2 401.486 1.862 20 0 HDADLO C[C@H](NC(=O)CNC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C)c1ccc(F)cc1 ZINC000676717462 1075658694 /nfs/dbraw/zinc/65/86/94/1075658694.db2.gz KVBLPPNASQWGNX-KSSFIOAISA-N 1 2 401.486 1.862 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000732207136 1075664459 /nfs/dbraw/zinc/66/44/59/1075664459.db2.gz CHTMVCZRYNMFGE-GFCCVEGCSA-N 1 2 400.501 1.118 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000732207136 1075664462 /nfs/dbraw/zinc/66/44/62/1075664462.db2.gz CHTMVCZRYNMFGE-GFCCVEGCSA-N 1 2 400.501 1.118 20 0 HDADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000732210810 1075666736 /nfs/dbraw/zinc/66/67/36/1075666736.db2.gz LRAOGAPMKQUYGH-KRWDZBQOSA-N 1 2 416.522 1.535 20 0 HDADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000732210810 1075666738 /nfs/dbraw/zinc/66/67/38/1075666738.db2.gz LRAOGAPMKQUYGH-KRWDZBQOSA-N 1 2 416.522 1.535 20 0 HDADLO COCc1ncc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c(N)n1 ZINC000504878926 1075668257 /nfs/dbraw/zinc/66/82/57/1075668257.db2.gz JXDMMKWGXLALHK-UHFFFAOYSA-N 1 2 419.283 1.896 20 0 HDADLO CCOCCO[C@H]1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000676746828 1075670140 /nfs/dbraw/zinc/67/01/40/1075670140.db2.gz RBMGJKUJUYXKNZ-KRWDZBQOSA-N 1 2 404.511 1.734 20 0 HDADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000732220561 1075673488 /nfs/dbraw/zinc/67/34/88/1075673488.db2.gz ZNYFTSDVADEODE-UHFFFAOYSA-N 1 2 406.508 1.790 20 0 HDADLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000732220561 1075673493 /nfs/dbraw/zinc/67/34/93/1075673493.db2.gz ZNYFTSDVADEODE-UHFFFAOYSA-N 1 2 406.508 1.790 20 0 HDADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732242763 1075678012 /nfs/dbraw/zinc/67/80/12/1075678012.db2.gz HYLNZUBZTDSQSM-GOSISDBHSA-N 1 2 421.523 1.160 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490243937 1075687748 /nfs/dbraw/zinc/68/77/48/1075687748.db2.gz MZIZSDUHKUGTIS-GJZGRUSLSA-N 1 2 423.493 1.676 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490243937 1075687750 /nfs/dbraw/zinc/68/77/50/1075687750.db2.gz MZIZSDUHKUGTIS-GJZGRUSLSA-N 1 2 423.493 1.676 20 0 HDADLO C[C@H](C(=O)NCc1ccc(-n2cncn2)nc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732269093 1075690128 /nfs/dbraw/zinc/69/01/28/1075690128.db2.gz BPYZADQAZGFSGQ-MRXNPFEDSA-N 1 2 409.469 1.628 20 0 HDADLO Cn1ccc(NCCNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)n1 ZINC000552305968 1075694806 /nfs/dbraw/zinc/69/48/06/1075694806.db2.gz ZGKGMJRMLTWHPT-KRWDZBQOSA-N 1 2 406.328 2.548 20 0 HDADLO C[C@@H](C(=O)NCC1N=NC(=S)N1C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732287963 1075698900 /nfs/dbraw/zinc/69/89/00/1075698900.db2.gz KALHJXVDRXPBPF-ZDUSSCGKSA-N 1 2 404.515 1.868 20 0 HDADLO CCN1C(=S)N=NC1CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732287800 1075698908 /nfs/dbraw/zinc/69/89/08/1075698908.db2.gz HPAMETXXCRHARX-AWEZNQCLSA-N 1 2 406.531 1.595 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000429468141 1075700519 /nfs/dbraw/zinc/70/05/19/1075700519.db2.gz KCAAHELXSBIIHH-JYRKZWEQSA-N 1 2 414.550 1.928 20 0 HDADLO COc1ccc(C(=O)NCC[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000562012477 1075711482 /nfs/dbraw/zinc/71/14/82/1075711482.db2.gz JAJXLSNTJWNPHH-UHFFFAOYSA-N 1 2 420.517 1.768 20 0 HDADLO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H]3CCCS(=O)(=O)C3)CC[N@@H+]2C2CC2)c1 ZINC000543686108 1075714092 /nfs/dbraw/zinc/71/40/92/1075714092.db2.gz VYIFNOWTYHMFSG-ZYSHUDEJSA-N 1 2 407.536 1.849 20 0 HDADLO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H]3CCCS(=O)(=O)C3)CC[N@H+]2C2CC2)c1 ZINC000543686108 1075714100 /nfs/dbraw/zinc/71/41/00/1075714100.db2.gz VYIFNOWTYHMFSG-ZYSHUDEJSA-N 1 2 407.536 1.849 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)CC2)cc1 ZINC000429474198 1075737115 /nfs/dbraw/zinc/73/71/15/1075737115.db2.gz RCJJPGACVUCICU-POAQFYNOSA-N 1 2 400.523 1.922 20 0 HDADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[NH+]2CCC(C(=O)N(C)C)CC2)C1=O ZINC000732438898 1075744398 /nfs/dbraw/zinc/74/43/98/1075744398.db2.gz WZPSEQBWHSCHKQ-OAQYLSRUSA-N 1 2 402.495 1.610 20 0 HDADLO O=C(NCc1ccc(-n2cncn2)nc1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732446698 1075747727 /nfs/dbraw/zinc/74/77/27/1075747727.db2.gz VGACSHUEYORYME-HXUWFJFHSA-N 1 2 421.505 1.405 20 0 HDADLO COC(=O)N1CCC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732460001 1075749883 /nfs/dbraw/zinc/74/98/83/1075749883.db2.gz VTOGPVQAZQGWTP-OALUTQOASA-N 1 2 404.511 1.460 20 0 HDADLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000732473969 1075756434 /nfs/dbraw/zinc/75/64/34/1075756434.db2.gz TWUXYYKYZLSXMX-JOCHJYFZSA-N 1 2 410.522 1.747 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000547327194 1075767059 /nfs/dbraw/zinc/76/70/59/1075767059.db2.gz CYRXEVISDQUJLT-HOTGVXAUSA-N 1 2 403.342 1.947 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000547327193 1075767100 /nfs/dbraw/zinc/76/71/00/1075767100.db2.gz CYRXEVISDQUJLT-CVEARBPZSA-N 1 2 403.342 1.947 20 0 HDADLO CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000608312821 1075768991 /nfs/dbraw/zinc/76/89/91/1075768991.db2.gz DFSYYAKTKFEWJT-UHFFFAOYSA-N 1 2 401.467 1.650 20 0 HDADLO C[C@H](O)C[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000469692457 1075783104 /nfs/dbraw/zinc/78/31/04/1075783104.db2.gz TXVYSJUIOKXNPY-HKUYNNGSSA-N 1 2 401.511 1.892 20 0 HDADLO C[C@H](SCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1nc2ccccc2[nH]1 ZINC000557712959 1075786476 /nfs/dbraw/zinc/78/64/76/1075786476.db2.gz KXIGQHLFPRXDRY-HNNXBMFYSA-N 1 2 414.535 2.525 20 0 HDADLO CCN1C[C@H](C[N@H+](C)CC(=O)NCC(C)(C)N2CCOCC2)Oc2ccccc21 ZINC000016423559 1075786547 /nfs/dbraw/zinc/78/65/47/1075786547.db2.gz BMCDZADQRQJBBS-SFHVURJKSA-N 1 2 404.555 1.433 20 0 HDADLO CCN1C[C@H](C[N@@H+](C)CC(=O)NCC(C)(C)N2CCOCC2)Oc2ccccc21 ZINC000016423559 1075786553 /nfs/dbraw/zinc/78/65/53/1075786553.db2.gz BMCDZADQRQJBBS-SFHVURJKSA-N 1 2 404.555 1.433 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732641131 1075811127 /nfs/dbraw/zinc/81/11/27/1075811127.db2.gz NDKPJNXBKWGVRF-KRWDZBQOSA-N 1 2 405.405 1.625 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732657129 1075818238 /nfs/dbraw/zinc/81/82/38/1075818238.db2.gz KZTLIORTORFEJC-HKUYNNGSSA-N 1 2 411.474 1.782 20 0 HDADLO CCOC(=O)c1c2c(sc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)CCC2 ZINC000611067249 1075823984 /nfs/dbraw/zinc/82/39/84/1075823984.db2.gz MGEMPRYTOKXTAM-ZDUSSCGKSA-N 1 2 411.524 1.570 20 0 HDADLO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000611099232 1075832678 /nfs/dbraw/zinc/83/26/78/1075832678.db2.gz ROXSCYTWRGIVLA-UHFFFAOYSA-N 1 2 411.462 1.212 20 0 HDADLO O=C(/C=C/C1CCOCC1)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000732695453 1075833475 /nfs/dbraw/zinc/83/34/75/1075833475.db2.gz WVPQMNBOJMFFSL-AATRIKPKSA-N 1 2 402.491 1.661 20 0 HDADLO CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21)c1nccs1 ZINC001085039827 1075833753 /nfs/dbraw/zinc/83/37/53/1075833753.db2.gz SDFPJLPSMQPXKX-MTSZKFMLSA-N 1 2 404.536 1.596 20 0 HDADLO CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21)c1nccs1 ZINC001085039827 1075833755 /nfs/dbraw/zinc/83/37/55/1075833755.db2.gz SDFPJLPSMQPXKX-MTSZKFMLSA-N 1 2 404.536 1.596 20 0 HDADLO CC(C)OCc1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1O ZINC000579893867 1075854523 /nfs/dbraw/zinc/85/45/23/1075854523.db2.gz ATAVJZNAGVZEOV-UHFFFAOYSA-N 1 2 403.483 2.490 20 0 HDADLO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000732812125 1075873652 /nfs/dbraw/zinc/87/36/52/1075873652.db2.gz BKFILZQHSQRBRD-GXTWGEPZSA-N 1 2 417.428 1.804 20 0 HDADLO COc1ccc(CNC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000732812125 1075873657 /nfs/dbraw/zinc/87/36/57/1075873657.db2.gz BKFILZQHSQRBRD-GXTWGEPZSA-N 1 2 417.428 1.804 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732824494 1075880119 /nfs/dbraw/zinc/88/01/19/1075880119.db2.gz HWTPHWMACVISNX-XLIONFOSSA-N 1 2 410.584 1.381 20 0 HDADLO Cc1ccccc1[C@H](O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000732886049 1075892424 /nfs/dbraw/zinc/89/24/24/1075892424.db2.gz DUFJGLWCDYPCRP-LJQANCHMSA-N 1 2 411.506 1.462 20 0 HDADLO S=C(NCc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732913386 1075910499 /nfs/dbraw/zinc/91/04/99/1075910499.db2.gz TXJLIAULZWKNQR-SFHVURJKSA-N 1 2 412.563 1.946 20 0 HDADLO S=C(NCc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732913386 1075910501 /nfs/dbraw/zinc/91/05/01/1075910501.db2.gz TXJLIAULZWKNQR-SFHVURJKSA-N 1 2 412.563 1.946 20 0 HDADLO Nc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc(Cl)n1 ZINC000732915259 1075911804 /nfs/dbraw/zinc/91/18/04/1075911804.db2.gz CPRFJSCEEYPOSW-CQSZACIVSA-N 1 2 417.901 1.343 20 0 HDADLO Nc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc(Cl)n1 ZINC000732915259 1075911807 /nfs/dbraw/zinc/91/18/07/1075911807.db2.gz CPRFJSCEEYPOSW-CQSZACIVSA-N 1 2 417.901 1.343 20 0 HDADLO CCOC(=O)c1sc(CNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)nc1C ZINC000611362739 1075919606 /nfs/dbraw/zinc/91/96/06/1075919606.db2.gz ZIUVGTPXNRAYDZ-UHFFFAOYSA-N 1 2 401.448 1.839 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611436902 1075933876 /nfs/dbraw/zinc/93/38/76/1075933876.db2.gz NKKQNLIIOHKIGZ-GOSISDBHSA-N 1 2 407.511 1.476 20 0 HDADLO COC(=O)c1csc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1C ZINC000611459845 1075941359 /nfs/dbraw/zinc/94/13/59/1075941359.db2.gz MRINLVVTMVGIPM-HUUCEWRRSA-N 1 2 409.508 1.541 20 0 HDADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000611540804 1075955081 /nfs/dbraw/zinc/95/50/81/1075955081.db2.gz ZIPOMCJYJFGDQW-HOTGVXAUSA-N 1 2 402.900 1.346 20 0 HDADLO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1)N1CCCC1 ZINC000733160279 1075993871 /nfs/dbraw/zinc/99/38/71/1075993871.db2.gz OXMRBNBRVVBZHK-LJQANCHMSA-N 1 2 420.460 1.615 20 0 HDADLO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1)N1CCCC1 ZINC000733160279 1075993873 /nfs/dbraw/zinc/99/38/73/1075993873.db2.gz OXMRBNBRVVBZHK-LJQANCHMSA-N 1 2 420.460 1.615 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)C2)no1 ZINC000514230171 1076018726 /nfs/dbraw/zinc/01/87/26/1076018726.db2.gz WQMVHQURXBRSKM-HZPDHXFCSA-N 1 2 415.498 1.011 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)no1 ZINC000514230171 1076018735 /nfs/dbraw/zinc/01/87/35/1076018735.db2.gz WQMVHQURXBRSKM-HZPDHXFCSA-N 1 2 415.498 1.011 20 0 HDADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000727072830 1076033692 /nfs/dbraw/zinc/03/36/92/1076033692.db2.gz ZPSKGQIMHQJPDU-ZDUSSCGKSA-N 1 2 404.989 1.442 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000733296809 1076041626 /nfs/dbraw/zinc/04/16/26/1076041626.db2.gz IPSHCXOMGAHRQE-XOBRGWDASA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000733296809 1076041632 /nfs/dbraw/zinc/04/16/32/1076041632.db2.gz IPSHCXOMGAHRQE-XOBRGWDASA-N 1 2 417.441 1.970 20 0 HDADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000727123761 1076048979 /nfs/dbraw/zinc/04/89/79/1076048979.db2.gz HFMDZVVZAKQMKB-HNNXBMFYSA-N 1 2 417.514 1.561 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)cc1 ZINC000021476630 1076062962 /nfs/dbraw/zinc/06/29/62/1076062962.db2.gz YVVBIIOZRLYOHD-UHFFFAOYSA-N 1 2 406.508 1.029 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000727158252 1076071335 /nfs/dbraw/zinc/07/13/35/1076071335.db2.gz JWGAIBIMOMAMAB-QRWLVFNGSA-N 1 2 414.506 1.835 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)NC(=O)N[C@H]1c1ccccc1 ZINC000727158252 1076071344 /nfs/dbraw/zinc/07/13/44/1076071344.db2.gz JWGAIBIMOMAMAB-QRWLVFNGSA-N 1 2 414.506 1.835 20 0 HDADLO O=C(COC(=O)c1cnn2ccccc12)NCc1ccccc1C[NH+]1CCOCC1 ZINC000733554087 1076097045 /nfs/dbraw/zinc/09/70/45/1076097045.db2.gz PATKGYHLHOQQMD-UHFFFAOYSA-N 1 2 408.458 1.640 20 0 HDADLO CCOC(=O)N1CCN(C(=O)CN2CC[NH+](Cc3cc(C)ccc3OC)CC2)CC1 ZINC000727349513 1076097658 /nfs/dbraw/zinc/09/76/58/1076097658.db2.gz NEUKFFCEEOIXMS-UHFFFAOYSA-N 1 2 418.538 1.422 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)NC(=O)N[C@H]1C ZINC000727437857 1076120632 /nfs/dbraw/zinc/12/06/32/1076120632.db2.gz ZRBWAMPBPIQSHG-ZDUSSCGKSA-N 1 2 418.494 1.609 20 0 HDADLO Cc1cc(N2CCN(C(=O)COC(=O)COC[C@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000733596288 1076121066 /nfs/dbraw/zinc/12/10/66/1076121066.db2.gz UTULZULESFKSKY-QGZVFWFLSA-N 1 2 420.510 1.296 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2coc3ccccc23)CC1 ZINC000733598963 1076123804 /nfs/dbraw/zinc/12/38/04/1076123804.db2.gz BVUOAXZKLWGSIR-UHFFFAOYSA-N 1 2 420.429 1.615 20 0 HDADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727497016 1076138087 /nfs/dbraw/zinc/13/80/87/1076138087.db2.gz VMAJGESDYFEKLS-KRWDZBQOSA-N 1 2 423.539 1.087 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000727603156 1076177028 /nfs/dbraw/zinc/17/70/28/1076177028.db2.gz FNGLPTLKWWNXOU-ZBFHGGJFSA-N 1 2 419.444 1.807 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000727603156 1076177030 /nfs/dbraw/zinc/17/70/30/1076177030.db2.gz FNGLPTLKWWNXOU-ZBFHGGJFSA-N 1 2 419.444 1.807 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000727603153 1076177172 /nfs/dbraw/zinc/17/71/72/1076177172.db2.gz FNGLPTLKWWNXOU-GDBMZVCRSA-N 1 2 419.444 1.807 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000727603153 1076177178 /nfs/dbraw/zinc/17/71/78/1076177178.db2.gz FNGLPTLKWWNXOU-GDBMZVCRSA-N 1 2 419.444 1.807 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCSC(C)(C)C)CC1 ZINC000727623445 1076188263 /nfs/dbraw/zinc/18/82/63/1076188263.db2.gz KLOMYBNEDSIKTE-UHFFFAOYSA-N 1 2 406.552 1.661 20 0 HDADLO Cn1nc(Br)c2c1ncn(CC(=O)N1CCC[C@H](c3[nH]cc[nH+]3)C1)c2=O ZINC000727736173 1076214526 /nfs/dbraw/zinc/21/45/26/1076214526.db2.gz IOJLSOQFRROKEX-JTQLQIEISA-N 1 2 420.271 1.022 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(C)c1 ZINC000531668069 1076237812 /nfs/dbraw/zinc/23/78/12/1076237812.db2.gz CXZMCWDGNAMNNN-RTBURBONSA-N 1 2 416.522 1.443 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCCCCn3cc[nH+]c3)C2)no1 ZINC000532807896 1076239241 /nfs/dbraw/zinc/23/92/41/1076239241.db2.gz KXIZUSXMRXVEMS-MRXNPFEDSA-N 1 2 403.487 1.441 20 0 HDADLO O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000733885168 1076239965 /nfs/dbraw/zinc/23/99/65/1076239965.db2.gz QYLIGMBDOUDEDO-UHFFFAOYSA-N 1 2 403.508 1.699 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C2)no1 ZINC000533122036 1076241315 /nfs/dbraw/zinc/24/13/15/1076241315.db2.gz DUBGAPZQALMEBX-QGZVFWFLSA-N 1 2 410.478 1.780 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC001299317984 1076247088 /nfs/dbraw/zinc/24/70/88/1076247088.db2.gz FLGHXEYSXDWTGJ-KRWDZBQOSA-N 1 2 401.548 1.731 20 0 HDADLO Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000534327544 1076247244 /nfs/dbraw/zinc/24/72/44/1076247244.db2.gz FNLVPPNHPMMMDP-RBUKOAKNSA-N 1 2 411.506 1.879 20 0 HDADLO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC001299319028 1076247367 /nfs/dbraw/zinc/24/73/67/1076247367.db2.gz NNRMUAOGYXJFQZ-HXUWFJFHSA-N 1 2 401.548 1.876 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000534539599 1076247850 /nfs/dbraw/zinc/24/78/50/1076247850.db2.gz DYBVKUAPNGJMDW-MRXNPFEDSA-N 1 2 423.441 1.610 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000534539599 1076247856 /nfs/dbraw/zinc/24/78/56/1076247856.db2.gz DYBVKUAPNGJMDW-MRXNPFEDSA-N 1 2 423.441 1.610 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 ZINC000534540018 1076248014 /nfs/dbraw/zinc/24/80/14/1076248014.db2.gz KFPDMGDOROEZOQ-IBGZPJMESA-N 1 2 415.515 1.515 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 ZINC000534540018 1076248017 /nfs/dbraw/zinc/24/80/17/1076248017.db2.gz KFPDMGDOROEZOQ-IBGZPJMESA-N 1 2 415.515 1.515 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC001299319404 1076248625 /nfs/dbraw/zinc/24/86/25/1076248625.db2.gz SPYLGKYZXISNDS-UHFFFAOYSA-N 1 2 411.499 1.724 20 0 HDADLO CCc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1S(N)(=O)=O ZINC000535267365 1076250825 /nfs/dbraw/zinc/25/08/25/1076250825.db2.gz BNYKBHDVFQDUDW-QGZVFWFLSA-N 1 2 416.503 1.138 20 0 HDADLO CCc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1S(N)(=O)=O ZINC000535267365 1076250827 /nfs/dbraw/zinc/25/08/27/1076250827.db2.gz BNYKBHDVFQDUDW-QGZVFWFLSA-N 1 2 416.503 1.138 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1C ZINC000535274861 1076251479 /nfs/dbraw/zinc/25/14/79/1076251479.db2.gz DJXJLIVPUUHLMR-KRWDZBQOSA-N 1 2 416.503 1.145 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1C ZINC000535274861 1076251485 /nfs/dbraw/zinc/25/14/85/1076251485.db2.gz DJXJLIVPUUHLMR-KRWDZBQOSA-N 1 2 416.503 1.145 20 0 HDADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1C ZINC000535315515 1076252686 /nfs/dbraw/zinc/25/26/86/1076252686.db2.gz WCRKFJGWWYMOHD-KRWDZBQOSA-N 1 2 416.503 1.145 20 0 HDADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1C ZINC000535315515 1076252689 /nfs/dbraw/zinc/25/26/89/1076252689.db2.gz WCRKFJGWWYMOHD-KRWDZBQOSA-N 1 2 416.503 1.145 20 0 HDADLO CC(C)CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065719145 1076257217 /nfs/dbraw/zinc/25/72/17/1076257217.db2.gz VPQXTMRGBPLMSG-NHHWGVFUSA-N 1 2 403.567 1.981 20 0 HDADLO CCCC1(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC3)C2)CC1 ZINC001065712838 1076257519 /nfs/dbraw/zinc/25/75/19/1076257519.db2.gz GIBYWIJJFIDVLQ-ROMHJBHXSA-N 1 2 401.551 1.735 20 0 HDADLO Cc1ccn2ncc(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2n1 ZINC000727799726 1076258392 /nfs/dbraw/zinc/25/83/92/1076258392.db2.gz ORXSZXHGUPNEAH-UHFFFAOYSA-N 1 2 402.499 1.710 20 0 HDADLO COc1ccc(CCC(=O)N2CCC[N@H+](CC(=O)NCc3ccccn3)CC2)cc1 ZINC000727830903 1076263922 /nfs/dbraw/zinc/26/39/22/1076263922.db2.gz URDXZKWOXXMYQQ-UHFFFAOYSA-N 1 2 410.518 1.874 20 0 HDADLO COc1ccc(CCC(=O)N2CCC[N@@H+](CC(=O)NCc3ccccn3)CC2)cc1 ZINC000727830903 1076263932 /nfs/dbraw/zinc/26/39/32/1076263932.db2.gz URDXZKWOXXMYQQ-UHFFFAOYSA-N 1 2 410.518 1.874 20 0 HDADLO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000727831124 1076263972 /nfs/dbraw/zinc/26/39/72/1076263972.db2.gz JGTVGWYFOTXSKP-GOSISDBHSA-N 1 2 416.547 1.697 20 0 HDADLO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000727831124 1076263979 /nfs/dbraw/zinc/26/39/79/1076263979.db2.gz JGTVGWYFOTXSKP-GOSISDBHSA-N 1 2 416.547 1.697 20 0 HDADLO O=C1[C@@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCN1C1CCOCC1 ZINC000467271390 1076266431 /nfs/dbraw/zinc/26/64/31/1076266431.db2.gz NKEGIJFDMKXKSO-ZDUSSCGKSA-N 1 2 419.473 1.849 20 0 HDADLO O=C1[C@@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CCN1C1CCOCC1 ZINC000467271390 1076266434 /nfs/dbraw/zinc/26/64/34/1076266434.db2.gz NKEGIJFDMKXKSO-ZDUSSCGKSA-N 1 2 419.473 1.849 20 0 HDADLO O=C(NC1CCCCC1)NC1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000727819614 1076267201 /nfs/dbraw/zinc/26/72/01/1076267201.db2.gz DIFMGMZAXBBCGJ-UHFFFAOYSA-N 1 2 407.515 1.141 20 0 HDADLO Cc1ccc(NC(=O)CCn2cc[nH]c(=O)c2=O)cc1NC(=O)C[NH+]1CCCCC1 ZINC000727852748 1076271627 /nfs/dbraw/zinc/27/16/27/1076271627.db2.gz AUCONYGVTJIVPM-UHFFFAOYSA-N 1 2 413.478 1.298 20 0 HDADLO Cc1ccn2ncc(C(=O)OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2n1 ZINC000727927408 1076285179 /nfs/dbraw/zinc/28/51/79/1076285179.db2.gz BAUSJDWPGGDROE-UHFFFAOYSA-N 1 2 409.446 1.665 20 0 HDADLO CCn1cc(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000734047006 1076298466 /nfs/dbraw/zinc/29/84/66/1076298466.db2.gz LTALENMSAFLREE-UHFFFAOYSA-N 1 2 400.483 1.630 20 0 HDADLO COc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1F ZINC001083148010 1076305017 /nfs/dbraw/zinc/30/50/17/1076305017.db2.gz PGJNFCLMTPHBQB-JNLXPOKBSA-N 1 2 402.466 1.669 20 0 HDADLO COc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1F ZINC001083148010 1076305020 /nfs/dbraw/zinc/30/50/20/1076305020.db2.gz PGJNFCLMTPHBQB-JNLXPOKBSA-N 1 2 402.466 1.669 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)c3ccccc3)c2)CC1 ZINC000734080068 1076304961 /nfs/dbraw/zinc/30/49/61/1076304961.db2.gz ZVBXZJFGXSSNRP-QHCPKHFHSA-N 1 2 410.518 1.396 20 0 HDADLO Cc1ccc(F)c(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c1 ZINC001083151510 1076316723 /nfs/dbraw/zinc/31/67/23/1076316723.db2.gz CNJREDTVHSYKOK-SQEGATDGSA-N 1 2 404.482 1.597 20 0 HDADLO Cc1ccc(F)c(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)c1 ZINC001083151510 1076316736 /nfs/dbraw/zinc/31/67/36/1076316736.db2.gz CNJREDTVHSYKOK-SQEGATDGSA-N 1 2 404.482 1.597 20 0 HDADLO COc1ccc([C@H](CNC(=O)CN(C)CCS(C)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000728114963 1076337328 /nfs/dbraw/zinc/33/73/28/1076337328.db2.gz DQLUKRWWZHQTFN-IBGZPJMESA-N 1 2 411.568 1.315 20 0 HDADLO CC(C)(C)n1nnnc1SCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000027810419 1076360773 /nfs/dbraw/zinc/36/07/73/1076360773.db2.gz GJRFZWCRZGRTMY-UHFFFAOYSA-N 1 2 404.540 1.669 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@H]1C1OCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000728172916 1076364112 /nfs/dbraw/zinc/36/41/12/1076364112.db2.gz PEJPVSHVKJQEDZ-FQEVSTJZSA-N 1 2 415.534 1.493 20 0 HDADLO O=C(C[N@H+]1CCCC[C@H]1C1OCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000728172916 1076364120 /nfs/dbraw/zinc/36/41/20/1076364120.db2.gz PEJPVSHVKJQEDZ-FQEVSTJZSA-N 1 2 415.534 1.493 20 0 HDADLO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCc2ccccc21 ZINC001084532893 1076369535 /nfs/dbraw/zinc/36/95/35/1076369535.db2.gz UIESESYQTGMVNW-JCSFEOJZSA-N 1 2 407.514 1.532 20 0 HDADLO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCc2ccccc21 ZINC001084532893 1076369551 /nfs/dbraw/zinc/36/95/51/1076369551.db2.gz UIESESYQTGMVNW-JCSFEOJZSA-N 1 2 407.514 1.532 20 0 HDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030593957 1076371234 /nfs/dbraw/zinc/37/12/34/1076371234.db2.gz LBWKHJLAYNEJFF-RDJZCZTQSA-N 1 2 413.515 1.158 20 0 HDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000030593957 1076371241 /nfs/dbraw/zinc/37/12/41/1076371241.db2.gz LBWKHJLAYNEJFF-RDJZCZTQSA-N 1 2 413.515 1.158 20 0 HDADLO COc1ccccc1[C@@H](NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)c1nccn1C ZINC000730115892 1076462268 /nfs/dbraw/zinc/46/22/68/1076462268.db2.gz LVJMJGAXYQRGRZ-VQIMIIECSA-N 1 2 400.527 1.453 20 0 HDADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)cc1 ZINC000730214520 1076478758 /nfs/dbraw/zinc/47/87/58/1076478758.db2.gz URSFLQULTDEONJ-GOSISDBHSA-N 1 2 424.476 1.622 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)N/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000730203971 1076482428 /nfs/dbraw/zinc/48/24/28/1076482428.db2.gz ZVIIEKQIHPQKKP-MNTXUITRSA-N 1 2 405.502 1.835 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000730228720 1076485627 /nfs/dbraw/zinc/48/56/27/1076485627.db2.gz WKDRNIGWZKHOLR-FABDANFUSA-N 1 2 421.505 1.683 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730263818 1076504633 /nfs/dbraw/zinc/50/46/33/1076504633.db2.gz ZSHFJWGNNVXOPR-OAHLLOKOSA-N 1 2 424.567 1.812 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730263818 1076504639 /nfs/dbraw/zinc/50/46/39/1076504639.db2.gz ZSHFJWGNNVXOPR-OAHLLOKOSA-N 1 2 424.567 1.812 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000730266859 1076507428 /nfs/dbraw/zinc/50/74/28/1076507428.db2.gz YDQUGKOCQRSSHH-AWEZNQCLSA-N 1 2 420.466 1.705 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000730266859 1076507436 /nfs/dbraw/zinc/50/74/36/1076507436.db2.gz YDQUGKOCQRSSHH-AWEZNQCLSA-N 1 2 420.466 1.705 20 0 HDADLO COc1ccc([C@@H](CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[NH+]2CCCCC2)cc1 ZINC000730515942 1076584174 /nfs/dbraw/zinc/58/41/74/1076584174.db2.gz SCZJYBADBHXUQY-GOSISDBHSA-N 1 2 410.478 1.423 20 0 HDADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000730528291 1076589893 /nfs/dbraw/zinc/58/98/93/1076589893.db2.gz PMIFTNWDDGLVFS-HZPDHXFCSA-N 1 2 408.506 1.866 20 0 HDADLO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)cc2)C1 ZINC000730528389 1076590329 /nfs/dbraw/zinc/59/03/29/1076590329.db2.gz MYPWPIQXKAVLOH-HOTGVXAUSA-N 1 2 408.506 1.866 20 0 HDADLO COCCS(=O)(=O)CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000730552812 1076600032 /nfs/dbraw/zinc/60/00/32/1076600032.db2.gz NJFXAYGUWSXAOX-UHFFFAOYSA-N 1 2 417.959 1.030 20 0 HDADLO CC(C)OC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC000730570600 1076606503 /nfs/dbraw/zinc/60/65/03/1076606503.db2.gz NWAPQEKEXKQIBZ-UHFFFAOYSA-N 1 2 422.551 1.985 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730675534 1076635323 /nfs/dbraw/zinc/63/53/23/1076635323.db2.gz NPAPFMVBJLEPMP-HZPDHXFCSA-N 1 2 408.518 1.868 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730675531 1076635544 /nfs/dbraw/zinc/63/55/44/1076635544.db2.gz NPAPFMVBJLEPMP-HOTGVXAUSA-N 1 2 408.518 1.868 20 0 HDADLO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000731002384 1076708160 /nfs/dbraw/zinc/70/81/60/1076708160.db2.gz RANMQIKRHKFHRS-UHFFFAOYSA-N 1 2 408.492 1.929 20 0 HDADLO CCOC(=O)c1cnn(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1C(F)F ZINC000731204630 1076754221 /nfs/dbraw/zinc/75/42/21/1076754221.db2.gz NTWXEIVTBBUSKY-OLZOCXBDSA-N 1 2 402.442 1.818 20 0 HDADLO CCOC(=O)c1cnn(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1C(F)F ZINC000731204630 1076754227 /nfs/dbraw/zinc/75/42/27/1076754227.db2.gz NTWXEIVTBBUSKY-OLZOCXBDSA-N 1 2 402.442 1.818 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@@H](F)Oc3cccc(Cl)n3)CC2)C1=O ZINC001164639892 719274043 /nfs/dbraw/zinc/27/40/43/719274043.db2.gz LKXCAVWQODCMRK-QGZVFWFLSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@@H](F)Oc3cccc(Cl)n3)CC2)C1=O ZINC001164639892 719274046 /nfs/dbraw/zinc/27/40/46/719274046.db2.gz LKXCAVWQODCMRK-QGZVFWFLSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4cccs4)nn3)CC2)C1=O ZINC001164642014 719276459 /nfs/dbraw/zinc/27/64/59/719276459.db2.gz VYDYYTYWKNSVOC-UHFFFAOYSA-N 1 2 401.536 1.965 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4cccs4)nn3)CC2)C1=O ZINC001164642014 719276464 /nfs/dbraw/zinc/27/64/64/719276464.db2.gz VYDYYTYWKNSVOC-UHFFFAOYSA-N 1 2 401.536 1.965 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccnc(Cc4ccccc4)n3)CC2)C1=O ZINC001164644876 719282229 /nfs/dbraw/zinc/28/22/29/719282229.db2.gz VOTFPYPNNLPIOU-UHFFFAOYSA-N 1 2 409.534 1.827 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccnc(Cc4ccccc4)n3)CC2)C1=O ZINC001164644876 719282236 /nfs/dbraw/zinc/28/22/36/719282236.db2.gz VOTFPYPNNLPIOU-UHFFFAOYSA-N 1 2 409.534 1.827 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)c(C(=O)OC)cc3Cl)CC2)C1=O ZINC001164644530 719283941 /nfs/dbraw/zinc/28/39/41/719283941.db2.gz NIIDDMBNBKFZCE-UHFFFAOYSA-N 1 2 424.929 1.589 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)c(C(=O)OC)cc3Cl)CC2)C1=O ZINC001164644530 719283945 /nfs/dbraw/zinc/28/39/45/719283945.db2.gz NIIDDMBNBKFZCE-UHFFFAOYSA-N 1 2 424.929 1.589 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@@H](F)Oc3cncc(Cl)n3)CC2)C1=O ZINC001164644859 719284352 /nfs/dbraw/zinc/28/43/52/719284352.db2.gz UUYBWUBJVIIJPK-MRXNPFEDSA-N 1 2 401.870 1.017 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@@H](F)Oc3cncc(Cl)n3)CC2)C1=O ZINC001164644859 719284357 /nfs/dbraw/zinc/28/43/57/719284357.db2.gz UUYBWUBJVIIJPK-MRXNPFEDSA-N 1 2 401.870 1.017 20 0 HDADLO COC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)c1 ZINC001164702013 719837996 /nfs/dbraw/zinc/83/79/96/719837996.db2.gz NEAGKVXBHVSKBG-LIRRHRJNSA-N 1 2 411.886 1.754 20 0 HDADLO CCOC(=O)Cc1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706054 719843748 /nfs/dbraw/zinc/84/37/48/719843748.db2.gz WDQRXJANJDIYJC-UTKZUKDTSA-N 1 2 405.495 1.420 20 0 HDADLO COC(=O)c1cc(Cl)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164700445 719845427 /nfs/dbraw/zinc/84/54/27/719845427.db2.gz KPUOUGKUWNYNLC-LIRRHRJNSA-N 1 2 411.886 1.754 20 0 HDADLO CCOC(=O)c1cc(C)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164700418 719847672 /nfs/dbraw/zinc/84/76/72/719847672.db2.gz KLGLDBGOLJGIDH-FOIQADDNSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)c1c[nH]c2nc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ccc12 ZINC001164698020 719848529 /nfs/dbraw/zinc/84/85/29/719848529.db2.gz DIWCIHOHAMGDOO-QKKBWIMNSA-N 1 2 416.478 1.582 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2C ZINC001164700428 719849966 /nfs/dbraw/zinc/84/99/66/719849966.db2.gz KNNMYQASDVPOSM-SGTLLEGYSA-N 1 2 408.890 1.249 20 0 HDADLO CCOC(=O)c1cc(C)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164704036 719854864 /nfs/dbraw/zinc/85/48/64/719854864.db2.gz QPKWPQNRCKSAHO-KKSFZXQISA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)nc(N(C)C)n1 ZINC001164702481 719859625 /nfs/dbraw/zinc/85/96/25/719859625.db2.gz NKLCIMRACPYQGU-QRWLVFNGSA-N 1 2 406.531 1.294 20 0 HDADLO CNC(=O)c1nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ccc1Cl ZINC001164697767 719859784 /nfs/dbraw/zinc/85/97/84/719859784.db2.gz AKIXQUHQWURLTM-BFUOFWGJSA-N 1 2 410.902 1.327 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C(OC)OC ZINC001164706756 719863462 /nfs/dbraw/zinc/86/34/62/719863462.db2.gz QJMAHUAKGHHUMQ-IIBYNOLFSA-N 1 2 407.511 1.914 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ncn(C(C)C)c2n1 ZINC001164702830 719868994 /nfs/dbraw/zinc/86/89/94/719868994.db2.gz IZKWCANBMHETSV-MGPUTAFESA-N 1 2 402.499 1.640 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2nc(C)no2)cn1 ZINC001164701236 719870274 /nfs/dbraw/zinc/87/02/74/719870274.db2.gz GHCLUVWKJMNSBB-OXJNMPFZSA-N 1 2 401.467 1.673 20 0 HDADLO CCN(CC)c1cncc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708874 719917192 /nfs/dbraw/zinc/91/71/92/719917192.db2.gz LLAMKMBSQXOYQM-UHFFFAOYSA-N 1 2 412.542 1.007 20 0 HDADLO COc1ccc2cc[nH+]c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c2c1 ZINC001164708272 719918331 /nfs/dbraw/zinc/91/83/31/719918331.db2.gz GVOLSIQOLGCVAO-UHFFFAOYSA-N 1 2 420.517 1.927 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164701805 719937519 /nfs/dbraw/zinc/93/75/19/719937519.db2.gz CALNTZWOTGUJPQ-UHFFFAOYSA-N 1 2 415.929 1.691 20 0 HDADLO COc1ccc2cnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2c1 ZINC001164703487 720048531 /nfs/dbraw/zinc/04/85/31/720048531.db2.gz KAFPANVPDJBHDS-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)n3)C2)C1 ZINC001164719258 720209547 /nfs/dbraw/zinc/20/95/47/720209547.db2.gz PRHPDXVOGUSBFE-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)n3)C2)C1 ZINC001164719258 720209554 /nfs/dbraw/zinc/20/95/54/720209554.db2.gz PRHPDXVOGUSBFE-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cccnc3Cl)C2)C1 ZINC001164718532 720227239 /nfs/dbraw/zinc/22/72/39/720227239.db2.gz MZPSAWMEJLUOGW-KRWDZBQOSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cccnc3Cl)C2)C1 ZINC001164718532 720227254 /nfs/dbraw/zinc/22/72/54/720227254.db2.gz MZPSAWMEJLUOGW-KRWDZBQOSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3SCC4)C2)C1 ZINC001164720583 720237149 /nfs/dbraw/zinc/23/71/49/720237149.db2.gz YMOUQJAMGBKFAC-GOSISDBHSA-N 1 2 411.959 1.443 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3SCC4)C2)C1 ZINC001164720583 720237158 /nfs/dbraw/zinc/23/71/58/720237158.db2.gz YMOUQJAMGBKFAC-GOSISDBHSA-N 1 2 411.959 1.443 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718662 720248511 /nfs/dbraw/zinc/24/85/11/720248511.db2.gz GJIAZKJHJIEIRB-QZTJIDSGSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718662 720248524 /nfs/dbraw/zinc/24/85/24/720248524.db2.gz GJIAZKJHJIEIRB-QZTJIDSGSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164720444 720256441 /nfs/dbraw/zinc/25/64/41/720256441.db2.gz WAEHVJWOXBAHAP-FQEVSTJZSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164720444 720256455 /nfs/dbraw/zinc/25/64/55/720256455.db2.gz WAEHVJWOXBAHAP-FQEVSTJZSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(N)c3)C2)C1 ZINC001164723314 720280756 /nfs/dbraw/zinc/28/07/56/720280756.db2.gz WRZDMRDVJWEGSY-KRWDZBQOSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(N)c3)C2)C1 ZINC001164723314 720280760 /nfs/dbraw/zinc/28/07/60/720280760.db2.gz WRZDMRDVJWEGSY-KRWDZBQOSA-N 1 2 417.888 1.527 20 0 HDADLO CCCSc1ncnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1OC ZINC001164721817 720308593 /nfs/dbraw/zinc/30/85/93/720308593.db2.gz HYSUXURICLWBBY-HXUWFJFHSA-N 1 2 423.583 1.652 20 0 HDADLO CCCSc1ncnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1OC ZINC001164721817 720308600 /nfs/dbraw/zinc/30/86/00/720308600.db2.gz HYSUXURICLWBBY-HXUWFJFHSA-N 1 2 423.583 1.652 20 0 HDADLO CCOc1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824332 720382196 /nfs/dbraw/zinc/38/21/96/720382196.db2.gz QWBULCJOFLBWNG-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO CCOc1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824332 720382202 /nfs/dbraw/zinc/38/22/02/720382202.db2.gz QWBULCJOFLBWNG-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO CSc1nccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164823703 720430274 /nfs/dbraw/zinc/43/02/74/720430274.db2.gz JFIFAVXJDJOWPQ-HNNXBMFYSA-N 1 2 404.540 1.385 20 0 HDADLO CCc1ncnc(Cl)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822423 720434506 /nfs/dbraw/zinc/43/45/06/720434506.db2.gz FAOSEYUDGFUTFQ-HNNXBMFYSA-N 1 2 420.945 1.879 20 0 HDADLO Cn1cnc2c1ccnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824703 720438130 /nfs/dbraw/zinc/43/81/30/720438130.db2.gz PQETVROWEAZCBZ-INIZCTEOSA-N 1 2 411.510 1.154 20 0 HDADLO Cc1nc(C)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164826330 720446886 /nfs/dbraw/zinc/44/68/86/720446886.db2.gz VTPUFVCQMRJXMO-MRXNPFEDSA-N 1 2 420.945 1.933 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)CCCN3)C2 ZINC001164822326 720451477 /nfs/dbraw/zinc/45/14/77/720451477.db2.gz CTDLOHMDJVWGFG-INIZCTEOSA-N 1 2 413.526 1.021 20 0 HDADLO Cc1cnc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830753 720456311 /nfs/dbraw/zinc/45/63/11/720456311.db2.gz LSCXFOSPOAFJFD-OAHLLOKOSA-N 1 2 406.918 1.625 20 0 HDADLO CCOc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164830130 720470591 /nfs/dbraw/zinc/47/05/91/720470591.db2.gz JBEHQZRSFBBGNH-INIZCTEOSA-N 1 2 402.499 1.061 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(C(F)F)cn1)C2 ZINC001164834808 720479655 /nfs/dbraw/zinc/47/96/55/720479655.db2.gz VHCRQKPXCXXLEA-OAHLLOKOSA-N 1 2 408.453 1.600 20 0 HDADLO COc1nc(C)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164834752 720480010 /nfs/dbraw/zinc/48/00/10/720480010.db2.gz UJARJVFPZFJNKM-QGZVFWFLSA-N 1 2 416.526 1.288 20 0 HDADLO Cc1cc2c(c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n1)C(=O)NC2=O ZINC001164892274 721431715 /nfs/dbraw/zinc/43/17/15/721431715.db2.gz HXADYZRUIJFNAV-KSFYIVLOSA-N 1 2 413.522 1.039 20 0 HDADLO Cc1cc2c(c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n1)C(=O)NC2=O ZINC001164892263 721431951 /nfs/dbraw/zinc/43/19/51/721431951.db2.gz HXADYZRUIJFNAV-AOMKIAJQSA-N 1 2 413.522 1.039 20 0 HDADLO CCOC(=O)c1cccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913265 721778399 /nfs/dbraw/zinc/77/83/99/721778399.db2.gz UZJWKVUTNKFKSV-QFIPXVFZSA-N 1 2 412.490 1.761 20 0 HDADLO CCOC(=O)c1cccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913265 721778405 /nfs/dbraw/zinc/77/84/05/721778405.db2.gz UZJWKVUTNKFKSV-QFIPXVFZSA-N 1 2 412.490 1.761 20 0 HDADLO c1c[nH]c(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)n1 ZINC001164914517 721790237 /nfs/dbraw/zinc/79/02/37/721790237.db2.gz DTDJEQKIIJKSAF-JOCHJYFZSA-N 1 2 406.490 1.975 20 0 HDADLO c1c[nH]c(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)n1 ZINC001164914517 721790240 /nfs/dbraw/zinc/79/02/40/721790240.db2.gz DTDJEQKIIJKSAF-JOCHJYFZSA-N 1 2 406.490 1.975 20 0 HDADLO COCCOc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164915772 721795303 /nfs/dbraw/zinc/79/53/03/721795303.db2.gz ZUNNFEYPBKXXLI-NRFANRHFSA-N 1 2 415.494 1.005 20 0 HDADLO COCCOc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164915772 721795305 /nfs/dbraw/zinc/79/53/05/721795305.db2.gz ZUNNFEYPBKXXLI-NRFANRHFSA-N 1 2 415.494 1.005 20 0 HDADLO CCOC(=O)c1nccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915687 721795981 /nfs/dbraw/zinc/79/59/81/721795981.db2.gz XQNLXBMMFGOWOY-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1nccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915687 721795984 /nfs/dbraw/zinc/79/59/84/721795984.db2.gz XQNLXBMMFGOWOY-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037391 721904001 /nfs/dbraw/zinc/90/40/01/721904001.db2.gz GDNCVXHKSGCWTR-CQSZACIVSA-N 1 2 417.888 1.813 20 0 HDADLO COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@@H]4C3)c12 ZINC001164946588 721949424 /nfs/dbraw/zinc/94/94/24/721949424.db2.gz WFMNLOVBWUSFPZ-HZPDHXFCSA-N 1 2 412.450 1.439 20 0 HDADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@H]21 ZINC001164947612 721960700 /nfs/dbraw/zinc/96/07/00/721960700.db2.gz QGHBVJFCTJEUID-MSOLQXFVSA-N 1 2 416.551 1.724 20 0 HDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164948462 721978008 /nfs/dbraw/zinc/97/80/08/721978008.db2.gz ZKOSTMHKWFGRGS-UHFFFAOYSA-N 1 2 417.517 1.692 20 0 HDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164948462 721978010 /nfs/dbraw/zinc/97/80/10/721978010.db2.gz ZKOSTMHKWFGRGS-UHFFFAOYSA-N 1 2 417.517 1.692 20 0 HDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(-n3cncn3)n1)CC2 ZINC001164949878 721979661 /nfs/dbraw/zinc/97/96/61/721979661.db2.gz QZUGDVXYJBIORF-UHFFFAOYSA-N 1 2 404.478 1.028 20 0 HDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(-n3cncn3)n1)CC2 ZINC001164949878 721979663 /nfs/dbraw/zinc/97/96/63/721979663.db2.gz QZUGDVXYJBIORF-UHFFFAOYSA-N 1 2 404.478 1.028 20 0 HDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055402 722016622 /nfs/dbraw/zinc/01/66/22/722016622.db2.gz IICJHRGDJUKMJR-NDEPHWFRSA-N 1 2 403.508 1.150 20 0 HDADLO CCS(=O)(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971742 722158809 /nfs/dbraw/zinc/15/88/09/722158809.db2.gz FCOWJZGOTGXBJX-AZUAARDMSA-N 1 2 416.547 1.998 20 0 HDADLO CCS(=O)(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971742 722158812 /nfs/dbraw/zinc/15/88/12/722158812.db2.gz FCOWJZGOTGXBJX-AZUAARDMSA-N 1 2 416.547 1.998 20 0 HDADLO C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1(=O)=O ZINC000429046564 1073466029 /nfs/dbraw/zinc/46/60/29/1073466029.db2.gz VISYFVGWFTXEAV-IEBWSBKVSA-N 1 2 409.552 1.496 20 0 HDADLO C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1(=O)=O ZINC000429046564 1073466038 /nfs/dbraw/zinc/46/60/38/1073466038.db2.gz VISYFVGWFTXEAV-IEBWSBKVSA-N 1 2 409.552 1.496 20 0 HDADLO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000429047785 1073467571 /nfs/dbraw/zinc/46/75/71/1073467571.db2.gz ZAOMMLDRLSSVQT-UHFFFAOYSA-N 1 2 418.519 1.534 20 0 HDADLO COc1ccc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(C)=O ZINC000014098783 1073483406 /nfs/dbraw/zinc/48/34/06/1073483406.db2.gz RHRTUDZVNIETLE-OKILXGFUSA-N 1 2 413.540 1.820 20 0 HDADLO COc1ccc(S(=O)(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(C)=O ZINC000014098783 1073483408 /nfs/dbraw/zinc/48/34/08/1073483408.db2.gz RHRTUDZVNIETLE-OKILXGFUSA-N 1 2 413.540 1.820 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000671399323 1073505010 /nfs/dbraw/zinc/50/50/10/1073505010.db2.gz XTPKEUDHZMRQQQ-GOSISDBHSA-N 1 2 403.548 1.679 20 0 HDADLO CCC[C@]1(C)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O ZINC000509103520 1073530101 /nfs/dbraw/zinc/53/01/01/1073530101.db2.gz PMAVHHPMNZWTBC-QFIPXVFZSA-N 1 2 414.506 1.376 20 0 HDADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000429096816 1073569699 /nfs/dbraw/zinc/56/96/99/1073569699.db2.gz KWVPPEFAFWMLMC-SOLBZPMBSA-N 1 2 424.567 1.841 20 0 HDADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000429096816 1073569705 /nfs/dbraw/zinc/56/97/05/1073569705.db2.gz KWVPPEFAFWMLMC-SOLBZPMBSA-N 1 2 424.567 1.841 20 0 HDADLO CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766015723 1073574559 /nfs/dbraw/zinc/57/45/59/1073574559.db2.gz AUKNGZFBXARVFN-IBGZPJMESA-N 1 2 411.568 1.108 20 0 HDADLO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000673659563 1073609513 /nfs/dbraw/zinc/60/95/13/1073609513.db2.gz VTKMLCKQYSMVMD-MRXNPFEDSA-N 1 2 421.523 1.943 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccn1 ZINC000509123685 1073609538 /nfs/dbraw/zinc/60/95/38/1073609538.db2.gz HJVMPVSXLIUENR-QFIPXVFZSA-N 1 2 414.481 1.937 20 0 HDADLO CNS(=O)(=O)c1ccc(CCC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673724359 1073656323 /nfs/dbraw/zinc/65/63/23/1073656323.db2.gz BKDUUOAADBKYDZ-UHFFFAOYSA-N 1 2 400.504 1.842 20 0 HDADLO COc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1S(=O)(=O)N(C)C ZINC000673724050 1073656345 /nfs/dbraw/zinc/65/63/45/1073656345.db2.gz CTCWPINQHUEHFJ-UHFFFAOYSA-N 1 2 416.503 1.874 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000429116059 1073664558 /nfs/dbraw/zinc/66/45/58/1073664558.db2.gz QLLOBLJBPUECRJ-HXUWFJFHSA-N 1 2 422.551 1.726 20 0 HDADLO COCCNS(=O)(=O)c1cccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673746990 1073681319 /nfs/dbraw/zinc/68/13/19/1073681319.db2.gz MCRZVPFYVVABON-UHFFFAOYSA-N 1 2 416.503 1.540 20 0 HDADLO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000429117937 1073683852 /nfs/dbraw/zinc/68/38/52/1073683852.db2.gz WCEARBDQURMDNU-HBFSDRIKSA-N 1 2 418.563 1.762 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1ccccn1 ZINC000509134232 1073692444 /nfs/dbraw/zinc/69/24/44/1073692444.db2.gz CMZFLHMVHTVQAZ-LJQANCHMSA-N 1 2 420.491 1.044 20 0 HDADLO CN(C(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1)C1CCOCC1 ZINC000429120437 1073693640 /nfs/dbraw/zinc/69/36/40/1073693640.db2.gz GZEWRKZIQMPQIX-HXUWFJFHSA-N 1 2 416.522 1.876 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccn1 ZINC000509138258 1073704482 /nfs/dbraw/zinc/70/44/82/1073704482.db2.gz MVDZWBLXWDYHTM-QFIPXVFZSA-N 1 2 418.538 1.555 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)[nH+]c12 ZINC000673775146 1073709097 /nfs/dbraw/zinc/70/90/97/1073709097.db2.gz KPKFHBHKEBENDX-KRWDZBQOSA-N 1 2 406.490 1.862 20 0 HDADLO O=C(Nc1ccc2c(c1)CCCC(=O)N2)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782104 1073719408 /nfs/dbraw/zinc/71/94/08/1073719408.db2.gz OBGMBHWWGZDNOP-KRWDZBQOSA-N 1 2 400.479 1.223 20 0 HDADLO O=C(Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781774 1073720616 /nfs/dbraw/zinc/72/06/16/1073720616.db2.gz HRWJYRNHGSMHEB-CQSZACIVSA-N 1 2 416.400 1.284 20 0 HDADLO O=C(Nc1cccc(Oc2cnccn2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784298 1073724749 /nfs/dbraw/zinc/72/47/49/1073724749.db2.gz IPYMZUNMNALBCR-GOSISDBHSA-N 1 2 411.462 1.531 20 0 HDADLO CCn1cnnc1-c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673784275 1073724811 /nfs/dbraw/zinc/72/48/11/1073724811.db2.gz IKBAQZPDRRHXQK-SFHVURJKSA-N 1 2 412.494 1.227 20 0 HDADLO COCCOCc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673785011 1073730041 /nfs/dbraw/zinc/73/00/41/1073730041.db2.gz MREUOPOSKHTSGT-LJQANCHMSA-N 1 2 405.495 1.111 20 0 HDADLO CC(C)(C)NC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673785742 1073730611 /nfs/dbraw/zinc/73/06/11/1073730611.db2.gz YIOHJFXYUQMTBX-GOSISDBHSA-N 1 2 416.522 1.477 20 0 HDADLO O=C(Nc1ccc(NC(=O)C2CC2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785806 1073731232 /nfs/dbraw/zinc/73/12/32/1073731232.db2.gz ZZNXMSSWSGQNCN-GOSISDBHSA-N 1 2 400.479 1.297 20 0 HDADLO CCN(C1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1)S(C)(=O)=O ZINC000673776822 1073733624 /nfs/dbraw/zinc/73/36/24/1073733624.db2.gz LJAXUPMUXXNRNF-UHFFFAOYSA-N 1 2 407.540 1.641 20 0 HDADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000673778700 1073733654 /nfs/dbraw/zinc/73/36/54/1073733654.db2.gz YIKYEHXJHYFBEL-SJORKVTESA-N 1 2 401.511 1.758 20 0 HDADLO CN(C)c1nc(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cs1 ZINC000673790682 1073735621 /nfs/dbraw/zinc/73/56/21/1073735621.db2.gz LSJQAAFXILQPCQ-UHFFFAOYSA-N 1 2 402.524 1.918 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(Cn4cncn4)c3)[nH+]c12 ZINC000673788510 1073741950 /nfs/dbraw/zinc/74/19/50/1073741950.db2.gz LBEQHGRZEKJGIG-UHFFFAOYSA-N 1 2 403.446 1.580 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3F)[nH+]c12 ZINC000673789382 1073743638 /nfs/dbraw/zinc/74/36/38/1073743638.db2.gz UOMHRYMUOKVDCY-UHFFFAOYSA-N 1 2 418.450 1.483 20 0 HDADLO Cc1cccn2cc(CCNc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)[nH+]c12 ZINC000673817683 1073771745 /nfs/dbraw/zinc/77/17/45/1073771745.db2.gz YCXFCOPSZJRSOC-UHFFFAOYSA-N 1 2 414.535 1.628 20 0 HDADLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000216295078 1073781871 /nfs/dbraw/zinc/78/18/71/1073781871.db2.gz WGMADCIPFNFQAU-KRWDZBQOSA-N 1 2 403.552 1.665 20 0 HDADLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000216314821 1073784635 /nfs/dbraw/zinc/78/46/35/1073784635.db2.gz RBWFNHFMOOXRIQ-LJQANCHMSA-N 1 2 411.531 1.703 20 0 HDADLO CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168743688 1073790184 /nfs/dbraw/zinc/79/01/84/1073790184.db2.gz QBHSOBNUBOPFDF-MRXNPFEDSA-N 1 2 409.914 1.909 20 0 HDADLO CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)n1 ZINC000673915458 1073885857 /nfs/dbraw/zinc/88/58/57/1073885857.db2.gz JGCFDJADJLZJSV-AWEZNQCLSA-N 1 2 416.482 1.829 20 0 HDADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)n1 ZINC000509174986 1073917269 /nfs/dbraw/zinc/91/72/69/1073917269.db2.gz XAVLIAMZVDFMOZ-MRXNPFEDSA-N 1 2 405.499 1.331 20 0 HDADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)n1 ZINC000509174986 1073917270 /nfs/dbraw/zinc/91/72/70/1073917270.db2.gz XAVLIAMZVDFMOZ-MRXNPFEDSA-N 1 2 405.499 1.331 20 0 HDADLO NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000466563872 1073933126 /nfs/dbraw/zinc/93/31/26/1073933126.db2.gz CWXSCQKFHSUHOC-VAMGGRTRSA-N 1 2 402.539 1.663 20 0 HDADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000484383061 1073959740 /nfs/dbraw/zinc/95/97/40/1073959740.db2.gz DQVYJYZKJCDDJK-UHFFFAOYSA-N 1 2 415.538 1.363 20 0 HDADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000484383061 1073959745 /nfs/dbraw/zinc/95/97/45/1073959745.db2.gz DQVYJYZKJCDDJK-UHFFFAOYSA-N 1 2 415.538 1.363 20 0 HDADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000484412730 1073983821 /nfs/dbraw/zinc/98/38/21/1073983821.db2.gz QSRWGKLBAWAQLK-UHFFFAOYSA-N 1 2 413.522 1.315 20 0 HDADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000484412730 1073983825 /nfs/dbraw/zinc/98/38/25/1073983825.db2.gz QSRWGKLBAWAQLK-UHFFFAOYSA-N 1 2 413.522 1.315 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccccc2OCCC(N)=O)c1C ZINC000543527118 1074011886 /nfs/dbraw/zinc/01/18/86/1074011886.db2.gz CCXMIWUSWLCIEG-UHFFFAOYSA-N 1 2 414.462 1.558 20 0 HDADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)Cc3ccccn3)cc2)CC1 ZINC000543527667 1074016248 /nfs/dbraw/zinc/01/62/48/1074016248.db2.gz QHUNJGSMTXMWIK-UHFFFAOYSA-N 1 2 409.490 1.343 20 0 HDADLO O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529901 1074020124 /nfs/dbraw/zinc/02/01/24/1074020124.db2.gz PDUBFOZGOVUNFL-UHFFFAOYSA-N 1 2 405.401 1.832 20 0 HDADLO Cc1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC[C@@H]2CCCO2)c1 ZINC000466601500 1074066419 /nfs/dbraw/zinc/06/64/19/1074066419.db2.gz QWVJSXVDKADARB-PMACEKPBSA-N 1 2 421.538 1.387 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000509198479 1074067165 /nfs/dbraw/zinc/06/71/65/1074067165.db2.gz SZTAPIKHCQSUFF-CABCVRRESA-N 1 2 403.570 1.430 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000509198479 1074067172 /nfs/dbraw/zinc/06/71/72/1074067172.db2.gz SZTAPIKHCQSUFF-CABCVRRESA-N 1 2 403.570 1.430 20 0 HDADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000509207735 1074115138 /nfs/dbraw/zinc/11/51/38/1074115138.db2.gz JVSMWBFZOXVBHB-MRXNPFEDSA-N 1 2 417.510 1.106 20 0 HDADLO Cc1ccccc1C[C@@H](CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000466615168 1074117836 /nfs/dbraw/zinc/11/78/36/1074117836.db2.gz CGPJALKKNLFGGU-IBGZPJMESA-N 1 2 411.506 1.503 20 0 HDADLO Cc1cccc(C[C@@H](CO)NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000466616980 1074126318 /nfs/dbraw/zinc/12/63/18/1074126318.db2.gz PFSLECXQXIDCMT-IBGZPJMESA-N 1 2 411.506 1.503 20 0 HDADLO COc1ccccc1C(=O)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000164725742 1074160993 /nfs/dbraw/zinc/16/09/93/1074160993.db2.gz GOHLICXDOCBCJZ-MRXNPFEDSA-N 1 2 414.458 1.622 20 0 HDADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766058940 1074167247 /nfs/dbraw/zinc/16/72/47/1074167247.db2.gz HAYDMMNEJCUMOI-DLBZAZTESA-N 1 2 419.588 1.712 20 0 HDADLO CC[C@@H](C)[C@@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)C(=O)OC ZINC000032489569 1074169112 /nfs/dbraw/zinc/16/91/12/1074169112.db2.gz NRHDQGOPTBQMHR-IIBYNOLFSA-N 1 2 419.522 1.279 20 0 HDADLO O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)NCC1([NH+]2CCOCC2)CC1 ZINC001128660821 1074206153 /nfs/dbraw/zinc/20/61/53/1074206153.db2.gz DKCKSKGFVOWPOV-UHFFFAOYSA-N 1 2 407.536 1.140 20 0 HDADLO C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000674199984 1074215780 /nfs/dbraw/zinc/21/57/80/1074215780.db2.gz OXRDHXOQLDUKQV-OAHLLOKOSA-N 1 2 410.474 1.596 20 0 HDADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 ZINC000674217077 1074229255 /nfs/dbraw/zinc/22/92/55/1074229255.db2.gz CZNVWENLHOVARS-UHFFFAOYSA-N 1 2 416.522 1.317 20 0 HDADLO NC(=O)[C@H]1c2ccccc2CCN1CCOCC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000674234626 1074237705 /nfs/dbraw/zinc/23/77/05/1074237705.db2.gz XBZOLMOIGYEXDZ-FGZHOGPDSA-N 1 2 422.529 1.172 20 0 HDADLO NC(=O)[C@H]1c2ccccc2CCN1CCOCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000674234626 1074237711 /nfs/dbraw/zinc/23/77/11/1074237711.db2.gz XBZOLMOIGYEXDZ-FGZHOGPDSA-N 1 2 422.529 1.172 20 0 HDADLO CNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)o1 ZINC000674361632 1074293149 /nfs/dbraw/zinc/29/31/49/1074293149.db2.gz TXCOSSLMISDYOM-INIZCTEOSA-N 1 2 402.476 1.943 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000674369103 1074298223 /nfs/dbraw/zinc/29/82/23/1074298223.db2.gz XZPVVLUCZSONSC-HXUWFJFHSA-N 1 2 422.529 1.779 20 0 HDADLO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674368533 1074298593 /nfs/dbraw/zinc/29/85/93/1074298593.db2.gz PKTAHIMPGHCKLP-LPHOPBHVSA-N 1 2 405.539 1.254 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000674428626 1074316969 /nfs/dbraw/zinc/31/69/69/1074316969.db2.gz IIDLFWOOZIGNSC-VBKZILBWSA-N 1 2 414.441 1.531 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000674427807 1074330532 /nfs/dbraw/zinc/33/05/32/1074330532.db2.gz RPBGHQIXEOVRSQ-VBKZILBWSA-N 1 2 400.483 1.070 20 0 HDADLO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC(=O)N1C ZINC000509225242 1074332990 /nfs/dbraw/zinc/33/29/90/1074332990.db2.gz HDWCBQNHNLCYPR-PXNSSMCTSA-N 1 2 410.522 1.879 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000674437556 1074336326 /nfs/dbraw/zinc/33/63/26/1074336326.db2.gz AXMMIVPDSZMFGK-IFXJQAMLSA-N 1 2 405.524 1.296 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)CCN2C1=O ZINC000674467219 1074364558 /nfs/dbraw/zinc/36/45/58/1074364558.db2.gz COWKKUKMLINFKR-IEBWSBKVSA-N 1 2 402.495 1.477 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)CCN2C1=O ZINC000674467219 1074364580 /nfs/dbraw/zinc/36/45/80/1074364580.db2.gz COWKKUKMLINFKR-IEBWSBKVSA-N 1 2 402.495 1.477 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCCO[C@H](C)c3ccccc3)CCN2C1=O ZINC000674470555 1074369687 /nfs/dbraw/zinc/36/96/87/1074369687.db2.gz YKVLBBMVZRMVJL-SJLPKXTDSA-N 1 2 402.495 1.239 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCCO[C@H](C)c3ccccc3)CCN2C1=O ZINC000674470555 1074369693 /nfs/dbraw/zinc/36/96/93/1074369693.db2.gz YKVLBBMVZRMVJL-SJLPKXTDSA-N 1 2 402.495 1.239 20 0 HDADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCN2CCCS2(=O)=O)C[C@H](C)O1 ZINC000674554934 1074437618 /nfs/dbraw/zinc/43/76/18/1074437618.db2.gz AWXNZDPBOJMGAD-IRXDYDNUSA-N 1 2 424.567 1.795 20 0 HDADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1noc(-c2ccccc2)n1 ZINC000674614363 1074484293 /nfs/dbraw/zinc/48/42/93/1074484293.db2.gz YMVUPLLGGNLQFW-NVXWUHKLSA-N 1 2 413.478 1.237 20 0 HDADLO COc1cc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)sc1S(N)(=O)=O ZINC000674712408 1074531648 /nfs/dbraw/zinc/53/16/48/1074531648.db2.gz JSJGXCJZOGHOCM-CYBMUJFWSA-N 1 2 420.516 1.851 20 0 HDADLO CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000674793519 1074568585 /nfs/dbraw/zinc/56/85/85/1074568585.db2.gz XEFRLHAPXQDTDT-CRAIPNDOSA-N 1 2 418.538 1.897 20 0 HDADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)c(=O)n(C)c1=O ZINC000674869353 1074596711 /nfs/dbraw/zinc/59/67/11/1074596711.db2.gz XMSVNUCVGFHAAL-CYBMUJFWSA-N 1 2 421.295 1.449 20 0 HDADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)c(=O)n(C)c1=O ZINC000674869353 1074596714 /nfs/dbraw/zinc/59/67/14/1074596714.db2.gz XMSVNUCVGFHAAL-CYBMUJFWSA-N 1 2 421.295 1.449 20 0 HDADLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000674907550 1074614725 /nfs/dbraw/zinc/61/47/25/1074614725.db2.gz REWKPXLGXLJJJB-UHFFFAOYSA-N 1 2 411.524 1.529 20 0 HDADLO CCCCn1c2nc(C[NH+]3CCC(OCCCO)CC3)n(CC)c2c(=O)[nH]c1=O ZINC000674912843 1074617732 /nfs/dbraw/zinc/61/77/32/1074617732.db2.gz RHSMSULIWLTSOU-UHFFFAOYSA-N 1 2 407.515 1.482 20 0 HDADLO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000766087713 1074676299 /nfs/dbraw/zinc/67/62/99/1074676299.db2.gz TUYAZUAMOJFQGL-KXBFYZLASA-N 1 2 405.474 1.988 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001034324243 1074699468 /nfs/dbraw/zinc/69/94/68/1074699468.db2.gz NWKXMRVJVHRGRM-YYXZMQKJSA-N 1 2 401.511 1.359 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001034324243 1074699472 /nfs/dbraw/zinc/69/94/72/1074699472.db2.gz NWKXMRVJVHRGRM-YYXZMQKJSA-N 1 2 401.511 1.359 20 0 HDADLO O=C(N[C@H]1CC[C@@H](CO)CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675101095 1074718175 /nfs/dbraw/zinc/71/81/75/1074718175.db2.gz BXBYEQJMVOAVIU-KSZLIROESA-N 1 2 418.542 1.132 20 0 HDADLO O=C(N[C@H]1CC[C@@H](CO)CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675101095 1074718185 /nfs/dbraw/zinc/71/81/85/1074718185.db2.gz BXBYEQJMVOAVIU-KSZLIROESA-N 1 2 418.542 1.132 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)ccn2)CC1 ZINC000543613743 1074733908 /nfs/dbraw/zinc/73/39/08/1074733908.db2.gz KLTPDIZIEANZLD-JQHSSLGASA-N 1 2 401.511 1.794 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)ccn2)CC1 ZINC000543613742 1074733981 /nfs/dbraw/zinc/73/39/81/1074733981.db2.gz KLTPDIZIEANZLD-CGTJXYLNSA-N 1 2 401.511 1.794 20 0 HDADLO C[C@@H]1COCC[N@H+]1CCNc1nc2cccnc2nc1NCCN1CCOC[C@@H]1C ZINC000675150376 1074738035 /nfs/dbraw/zinc/73/80/35/1074738035.db2.gz KJOAXEOTGXLLMR-SJORKVTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCC[N@@H+]1CCNc1nc2cccnc2nc1NCCN1CCOC[C@@H]1C ZINC000675150376 1074738045 /nfs/dbraw/zinc/73/80/45/1074738045.db2.gz KJOAXEOTGXLLMR-SJORKVTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCCN1CCNc1nc2cccnc2nc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000675150376 1074738051 /nfs/dbraw/zinc/73/80/51/1074738051.db2.gz KJOAXEOTGXLLMR-SJORKVTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCCN1CCNc1nc2cccnc2nc1NCC[N@H+]1CCOC[C@@H]1C ZINC000675150376 1074738059 /nfs/dbraw/zinc/73/80/59/1074738059.db2.gz KJOAXEOTGXLLMR-SJORKVTESA-N 1 2 415.542 1.290 20 0 HDADLO COC(=O)C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(F)cc1 ZINC000475598118 1074739201 /nfs/dbraw/zinc/73/92/01/1074739201.db2.gz ZHQNYEGZYGZFEB-QGZVFWFLSA-N 1 2 419.457 1.780 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N(CCCO)Cc3ccccc3)ccn2)CC1 ZINC000543614993 1074741732 /nfs/dbraw/zinc/74/17/32/1074741732.db2.gz PHMMHPPDGCIJCN-UHFFFAOYSA-N 1 2 411.506 1.886 20 0 HDADLO O=C(CN1CC[NH+](CCN2CCOC2=O)CC1)Nc1ccc(Br)cc1 ZINC000766159321 1074751990 /nfs/dbraw/zinc/75/19/90/1074751990.db2.gz HLZUWNOUHMENLD-UHFFFAOYSA-N 1 2 411.300 1.457 20 0 HDADLO COC(=O)Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000499894219 1074753069 /nfs/dbraw/zinc/75/30/69/1074753069.db2.gz FGMSMPLGZUVBGG-YJBOKZPZSA-N 1 2 421.885 1.903 20 0 HDADLO COC(=O)Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000499894219 1074753076 /nfs/dbraw/zinc/75/30/76/1074753076.db2.gz FGMSMPLGZUVBGG-YJBOKZPZSA-N 1 2 421.885 1.903 20 0 HDADLO Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)nn1[C@H](C)C1CC1 ZINC000542314706 1074755567 /nfs/dbraw/zinc/75/55/67/1074755567.db2.gz JBSHVXQWDRUIHW-AEFFLSMTSA-N 1 2 405.543 1.964 20 0 HDADLO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675218796 1074760700 /nfs/dbraw/zinc/76/07/00/1074760700.db2.gz AYTAUAJYVOOYHC-PKOBYXMFSA-N 1 2 421.563 1.796 20 0 HDADLO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000675219944 1074761727 /nfs/dbraw/zinc/76/17/27/1074761727.db2.gz UFJPIGUPIIMYDN-KRWDZBQOSA-N 1 2 423.535 1.026 20 0 HDADLO O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000432158783 1074770404 /nfs/dbraw/zinc/77/04/04/1074770404.db2.gz YAASRXFWKSHULE-UHFFFAOYSA-N 1 2 400.458 2.200 20 0 HDADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280847 1074785051 /nfs/dbraw/zinc/78/50/51/1074785051.db2.gz LNLABNPHBADZOH-HKUYNNGSSA-N 1 2 401.507 1.623 20 0 HDADLO O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280892 1074785104 /nfs/dbraw/zinc/78/51/04/1074785104.db2.gz MWYRCUNNZBDCCQ-KRWDZBQOSA-N 1 2 419.503 1.305 20 0 HDADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280850 1074785745 /nfs/dbraw/zinc/78/57/45/1074785745.db2.gz LNLABNPHBADZOH-PKOBYXMFSA-N 1 2 401.507 1.623 20 0 HDADLO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000675296968 1074790796 /nfs/dbraw/zinc/79/07/96/1074790796.db2.gz PGWIDJLZYDKTMG-WFASDCNBSA-N 1 2 417.416 1.316 20 0 HDADLO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675296986 1074790821 /nfs/dbraw/zinc/79/08/21/1074790821.db2.gz SRIXJIOBDXRKRL-XJKSGUPXSA-N 1 2 417.416 1.247 20 0 HDADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766102085 1074800957 /nfs/dbraw/zinc/80/09/57/1074800957.db2.gz BLUPCOYSRAEOKL-WOJBJXKFSA-N 1 2 402.491 1.458 20 0 HDADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766102085 1074800961 /nfs/dbraw/zinc/80/09/61/1074800961.db2.gz BLUPCOYSRAEOKL-WOJBJXKFSA-N 1 2 402.491 1.458 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)NC[C@H](O)C[NH+]3CCC(C)CC3)s[nH]2)c1 ZINC000543621501 1074803316 /nfs/dbraw/zinc/80/33/16/1074803316.db2.gz QWNHJHPHRLJVHD-HNNXBMFYSA-N 1 2 405.524 1.850 20 0 HDADLO O=C(NCc1ccc2ccccc2c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446745906 1074810733 /nfs/dbraw/zinc/81/07/33/1074810733.db2.gz VEUFDLPDUGLGGE-UHFFFAOYSA-N 1 2 407.474 1.623 20 0 HDADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC000509329408 1075115208 /nfs/dbraw/zinc/11/52/08/1075115208.db2.gz YODYWKDGSJRRQR-MRXNPFEDSA-N 1 2 424.567 1.507 20 0 HDADLO COCCCN(Cc1ccncc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438330887 1075137572 /nfs/dbraw/zinc/13/75/72/1075137572.db2.gz MZNUJHXLZGKPML-UHFFFAOYSA-N 1 2 402.499 1.681 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN(CC(N)=O)[C@H](C)c3ccccc3)CC2)cc1 ZINC000466678240 1075146951 /nfs/dbraw/zinc/14/69/51/1075146951.db2.gz LSMBMZQOHOGKQO-LJQANCHMSA-N 1 2 424.545 1.888 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000483700189 1075148266 /nfs/dbraw/zinc/14/82/66/1075148266.db2.gz OWVCACCSEGAIDX-AEFFLSMTSA-N 1 2 421.448 1.698 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000483700189 1075148269 /nfs/dbraw/zinc/14/82/69/1075148269.db2.gz OWVCACCSEGAIDX-AEFFLSMTSA-N 1 2 421.448 1.698 20 0 HDADLO COC[C@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000675466342 1075161039 /nfs/dbraw/zinc/16/10/39/1075161039.db2.gz OCHCZKDBCNRYFE-DAYGRLMNSA-N 1 2 411.930 1.711 20 0 HDADLO COC[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000675466342 1075161042 /nfs/dbraw/zinc/16/10/42/1075161042.db2.gz OCHCZKDBCNRYFE-DAYGRLMNSA-N 1 2 411.930 1.711 20 0 HDADLO O=C(Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435250457 1075161193 /nfs/dbraw/zinc/16/11/93/1075161193.db2.gz TWLSPJIBEDHILF-OAHLLOKOSA-N 1 2 411.849 2.539 20 0 HDADLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC ZINC000675485939 1075173376 /nfs/dbraw/zinc/17/33/76/1075173376.db2.gz HEGUSUJYUGSJHA-UHFFFAOYSA-N 1 2 400.414 1.889 20 0 HDADLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC ZINC000675485939 1075173377 /nfs/dbraw/zinc/17/33/77/1075173377.db2.gz HEGUSUJYUGSJHA-UHFFFAOYSA-N 1 2 400.414 1.889 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000466985918 1075177253 /nfs/dbraw/zinc/17/72/53/1075177253.db2.gz ZZZZAFZLGONUJK-LBPRGKRZSA-N 1 2 422.477 1.499 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000509344710 1075178613 /nfs/dbraw/zinc/17/86/13/1075178613.db2.gz OUWGPNNLVJLBEG-INIZCTEOSA-N 1 2 401.454 1.457 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000446724446 1075184608 /nfs/dbraw/zinc/18/46/08/1075184608.db2.gz DESRYSGXQVZFKG-UHFFFAOYSA-N 1 2 417.554 2.117 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000438317360 1075187255 /nfs/dbraw/zinc/18/72/55/1075187255.db2.gz YBPGOEHTIVKJMA-UHFFFAOYSA-N 1 2 419.917 1.618 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469671159 1075187273 /nfs/dbraw/zinc/18/72/73/1075187273.db2.gz GYKBCMIKKQIXDO-OAHLLOKOSA-N 1 2 405.449 2.515 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000495592945 1075189469 /nfs/dbraw/zinc/18/94/69/1075189469.db2.gz PFOFWMLWICJWQD-UHFFFAOYSA-N 1 2 420.857 1.844 20 0 HDADLO O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000675536770 1075194617 /nfs/dbraw/zinc/19/46/17/1075194617.db2.gz HNMYADLVDDARKB-KRWDZBQOSA-N 1 2 415.490 1.013 20 0 HDADLO O=C(Nc1ccn(Cc2ccncc2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000438331438 1075205182 /nfs/dbraw/zinc/20/51/82/1075205182.db2.gz AWWQFOUOCOOCRJ-UHFFFAOYSA-N 1 2 406.490 2.555 20 0 HDADLO CCOc1ccc(Cl)cc1CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675583349 1075212887 /nfs/dbraw/zinc/21/28/87/1075212887.db2.gz SVWOQELEAKETEF-GOSISDBHSA-N 1 2 423.941 1.721 20 0 HDADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)no1 ZINC000431922982 1075226012 /nfs/dbraw/zinc/22/60/12/1075226012.db2.gz LWSQHWJEBSWDRN-AWEZNQCLSA-N 1 2 419.507 2.222 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 ZINC000675594930 1075233084 /nfs/dbraw/zinc/23/30/84/1075233084.db2.gz BPSMJWIADYHOPS-OALUTQOASA-N 1 2 422.489 1.834 20 0 HDADLO COCCOCc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000675702083 1075256616 /nfs/dbraw/zinc/25/66/16/1075256616.db2.gz QXAKMHSRYBNAJH-PMACEKPBSA-N 1 2 419.522 1.548 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000675706792 1075258826 /nfs/dbraw/zinc/25/88/26/1075258826.db2.gz UMOFTKVMYAEIQQ-HLAWJBBLSA-N 1 2 418.497 1.467 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc2c(c1)NC(=O)CO2 ZINC000675727608 1075263477 /nfs/dbraw/zinc/26/34/77/1075263477.db2.gz PSIMAWPQPJRRGA-UHFFFAOYSA-N 1 2 409.446 1.480 20 0 HDADLO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000543437811 1075277518 /nfs/dbraw/zinc/27/75/18/1075277518.db2.gz XPAGYVSZDQXRIH-MRXNPFEDSA-N 1 2 419.551 1.865 20 0 HDADLO CS(=O)(=O)N1CCc2c1cccc2NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000543646785 1075281526 /nfs/dbraw/zinc/28/15/26/1075281526.db2.gz OPZRGMVNIGHFGB-AWEZNQCLSA-N 1 2 401.492 1.804 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC(C(F)F)CC2)CC1 ZINC000675940501 1075301400 /nfs/dbraw/zinc/30/14/00/1075301400.db2.gz VSNWIXGSESHKAG-UHFFFAOYSA-N 1 2 408.449 1.516 20 0 HDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429385295 1075304513 /nfs/dbraw/zinc/30/45/13/1075304513.db2.gz KNHAORQGVQYRLG-ZFWWWQNUSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429385295 1075304516 /nfs/dbraw/zinc/30/45/16/1075304516.db2.gz KNHAORQGVQYRLG-ZFWWWQNUSA-N 1 2 414.428 1.831 20 0 HDADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731334864 1075307809 /nfs/dbraw/zinc/30/78/09/1075307809.db2.gz AJELUGXYISKJJN-KUJWUYCRSA-N 1 2 407.540 1.412 20 0 HDADLO CS(=O)(=O)c1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1Cl ZINC000731336074 1075308203 /nfs/dbraw/zinc/30/82/03/1075308203.db2.gz LKVSYRFPJCATJE-UHFFFAOYSA-N 1 2 412.899 1.525 20 0 HDADLO Cn1c(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nc2cc(Cl)ccc21 ZINC000675970369 1075312724 /nfs/dbraw/zinc/31/27/24/1075312724.db2.gz LHEIOCYBUFYXQE-AWEZNQCLSA-N 1 2 400.870 1.903 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731352984 1075315725 /nfs/dbraw/zinc/31/57/25/1075315725.db2.gz GBGPOVVANYKPNU-MRXNPFEDSA-N 1 2 407.515 1.943 20 0 HDADLO Cc1ccc(S(=O)(=O)NCCN(C)c2nc(NCCO)c3ccccc3[nH+]2)cc1 ZINC000525707621 1075327175 /nfs/dbraw/zinc/32/71/75/1075327175.db2.gz GYRZRPQYEIBISR-UHFFFAOYSA-N 1 2 415.519 1.757 20 0 HDADLO CCOc1ccnc(N2CCC[N@@H+]([C@@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)n1 ZINC000676026768 1075328784 /nfs/dbraw/zinc/32/87/84/1075328784.db2.gz MBPMPLZIBQSIPS-QGZVFWFLSA-N 1 2 411.462 1.425 20 0 HDADLO CCOc1ccnc(N2CCC[N@H+]([C@@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)n1 ZINC000676026768 1075328786 /nfs/dbraw/zinc/32/87/86/1075328786.db2.gz MBPMPLZIBQSIPS-QGZVFWFLSA-N 1 2 411.462 1.425 20 0 HDADLO CCOc1ccnc(N2CCC[N@@H+]([C@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)n1 ZINC000676026765 1075328800 /nfs/dbraw/zinc/32/88/00/1075328800.db2.gz MBPMPLZIBQSIPS-KRWDZBQOSA-N 1 2 411.462 1.425 20 0 HDADLO CCOc1ccnc(N2CCC[N@H+]([C@H]3CC(=O)N(c4cccc(O)c4)C3=O)CC2)n1 ZINC000676026765 1075328802 /nfs/dbraw/zinc/32/88/02/1075328802.db2.gz MBPMPLZIBQSIPS-KRWDZBQOSA-N 1 2 411.462 1.425 20 0 HDADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Nc3ccn(CC(N)=O)n3)c2c1C ZINC000524323669 1075337872 /nfs/dbraw/zinc/33/78/72/1075337872.db2.gz RJRRMXPNSTYJEV-UHFFFAOYSA-N 1 2 417.495 1.663 20 0 HDADLO CN(C)C(=O)Sc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731435795 1075350320 /nfs/dbraw/zinc/35/03/20/1075350320.db2.gz KLZMILMWSPBMGP-HNNXBMFYSA-N 1 2 420.535 1.580 20 0 HDADLO COc1ccc(CC[C@H](C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438319546 1075370568 /nfs/dbraw/zinc/37/05/68/1075370568.db2.gz ITSFNBDXRLSRHX-KRWDZBQOSA-N 1 2 401.511 2.367 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=S)NCCSc2ccccc2)CC1 ZINC000731568886 1075390696 /nfs/dbraw/zinc/39/06/96/1075390696.db2.gz FHPWYUPWJWMUQX-UHFFFAOYSA-N 1 2 401.623 1.752 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000804090541 1075396365 /nfs/dbraw/zinc/39/63/65/1075396365.db2.gz KEQWGEHWAAJILA-GVDBMIGSSA-N 1 2 419.526 1.999 20 0 HDADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(c2cccs2)CC1 ZINC000466716807 1075407951 /nfs/dbraw/zinc/40/79/51/1075407951.db2.gz BEDGOZKFHHYOOA-OAHLLOKOSA-N 1 2 422.576 1.265 20 0 HDADLO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCCC1 ZINC000804115958 1075413990 /nfs/dbraw/zinc/41/39/90/1075413990.db2.gz DFKHTDSTWJZQQX-QGZVFWFLSA-N 1 2 401.573 1.087 20 0 HDADLO CCc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1Cc1ccccc1 ZINC000731648434 1075426257 /nfs/dbraw/zinc/42/62/57/1075426257.db2.gz FERXMRJYPWSJQM-UHFFFAOYSA-N 1 2 418.563 1.733 20 0 HDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000429403074 1075426389 /nfs/dbraw/zinc/42/63/89/1075426389.db2.gz ONBOZWRFEQKSNN-SOLBZPMBSA-N 1 2 416.522 1.832 20 0 HDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000429403074 1075426393 /nfs/dbraw/zinc/42/63/93/1075426393.db2.gz ONBOZWRFEQKSNN-SOLBZPMBSA-N 1 2 416.522 1.832 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2ccccc2C(F)(F)F)CC1 ZINC000731648357 1075426987 /nfs/dbraw/zinc/42/69/87/1075426987.db2.gz BRSNQOUEXZZWRK-UHFFFAOYSA-N 1 2 408.442 1.709 20 0 HDADLO CC(=O)c1cccc(OCCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731647999 1075427356 /nfs/dbraw/zinc/42/73/56/1075427356.db2.gz CNYLXDLPKOFQCE-UHFFFAOYSA-N 1 2 410.536 1.673 20 0 HDADLO CCOc1c(Cl)cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1OC ZINC000731649051 1075429020 /nfs/dbraw/zinc/42/90/20/1075429020.db2.gz VLDHQYALAGUZHN-UHFFFAOYSA-N 1 2 418.943 1.986 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC000731648820 1075429899 /nfs/dbraw/zinc/42/98/99/1075429899.db2.gz IUYKWSWDCIEDSW-UHFFFAOYSA-N 1 2 401.532 1.962 20 0 HDADLO COc1ccccc1-c1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)no1 ZINC000731648614 1075430355 /nfs/dbraw/zinc/43/03/55/1075430355.db2.gz PEEMHHWRWCECAM-UHFFFAOYSA-N 1 2 407.492 1.589 20 0 HDADLO Cc1cc(-n2c(C)cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2C)no1 ZINC000731650374 1075431393 /nfs/dbraw/zinc/43/13/93/1075431393.db2.gz GKORLYRNOSVHIX-UHFFFAOYSA-N 1 2 408.524 1.629 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2F)CC1 ZINC000731651054 1075434063 /nfs/dbraw/zinc/43/40/63/1075434063.db2.gz SQEMKBZXPNEMRD-UHFFFAOYSA-N 1 2 407.305 1.827 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731650754 1075434986 /nfs/dbraw/zinc/43/49/86/1075434986.db2.gz YLBQUQVRVCBHPI-OAHLLOKOSA-N 1 2 417.572 1.259 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000731650609 1075435433 /nfs/dbraw/zinc/43/54/33/1075435433.db2.gz IHQXORWPEBVWEB-UHFFFAOYSA-N 1 2 408.442 1.709 20 0 HDADLO COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438300118 1075445343 /nfs/dbraw/zinc/44/53/43/1075445343.db2.gz CDQCKGOINATUGS-OAHLLOKOSA-N 1 2 403.483 2.115 20 0 HDADLO CS(=O)(=O)CCN1CCC(NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000731686530 1075446273 /nfs/dbraw/zinc/44/62/73/1075446273.db2.gz YITRTLHBMBMQFE-UHFFFAOYSA-N 1 2 414.597 1.084 20 0 HDADLO CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1C ZINC000549663098 1075446473 /nfs/dbraw/zinc/44/64/73/1075446473.db2.gz MQOXSMNKCDXNCA-MRXNPFEDSA-N 1 2 412.538 2.487 20 0 HDADLO COc1ccc(OCCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438326655 1075447374 /nfs/dbraw/zinc/44/73/74/1075447374.db2.gz WKHVJVRJWZEUSX-UHFFFAOYSA-N 1 2 403.483 1.815 20 0 HDADLO CC(C)CCOC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731686187 1075447595 /nfs/dbraw/zinc/44/75/95/1075447595.db2.gz NGRGQYVRWIYAQW-UHFFFAOYSA-N 1 2 403.589 1.732 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cc(-c3ccccc3)no2)CC1 ZINC000731686019 1075447938 /nfs/dbraw/zinc/44/79/38/1075447938.db2.gz IWYPCCPRCRRDPF-UHFFFAOYSA-N 1 2 406.508 1.650 20 0 HDADLO C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676256925 1075451633 /nfs/dbraw/zinc/45/16/33/1075451633.db2.gz JAMMHHXAVDBBEP-KXBFYZLASA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676256925 1075451638 /nfs/dbraw/zinc/45/16/38/1075451638.db2.gz JAMMHHXAVDBBEP-KXBFYZLASA-N 1 2 403.504 1.936 20 0 HDADLO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000731666764 1075454081 /nfs/dbraw/zinc/45/40/81/1075454081.db2.gz IZRHQJITJYTLMV-IBGZPJMESA-N 1 2 404.488 1.921 20 0 HDADLO NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000731666764 1075454084 /nfs/dbraw/zinc/45/40/84/1075454084.db2.gz IZRHQJITJYTLMV-IBGZPJMESA-N 1 2 404.488 1.921 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 ZINC000731678633 1075461688 /nfs/dbraw/zinc/46/16/88/1075461688.db2.gz UOZRKAGDXSDZEG-UHFFFAOYSA-N 1 2 402.904 1.069 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000731680569 1075462740 /nfs/dbraw/zinc/46/27/40/1075462740.db2.gz NXXQRMSXQWNFTL-UHFFFAOYSA-N 1 2 405.524 1.181 20 0 HDADLO CC[C@@H](c1nnc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)s1)c1ccccc1 ZINC000435133756 1075466198 /nfs/dbraw/zinc/46/61/98/1075466198.db2.gz SQFKKDMPXDJOMI-DLBZAZTESA-N 1 2 419.551 2.237 20 0 HDADLO COc1cccc2c1OCC[C@H]2NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683716 1075468700 /nfs/dbraw/zinc/46/87/00/1075468700.db2.gz YFBMOVQFDPADNC-MRXNPFEDSA-N 1 2 411.524 1.327 20 0 HDADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)Nc3ccn(CC(F)F)n3)CC2)c1 ZINC000444566937 1075491823 /nfs/dbraw/zinc/49/18/23/1075491823.db2.gz FLLQVHXBDOWUDZ-CQSZACIVSA-N 1 2 421.448 2.001 20 0 HDADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)Nc3ccn(CC(F)F)n3)CC2)c1 ZINC000444566935 1075494686 /nfs/dbraw/zinc/49/46/86/1075494686.db2.gz FLLQVHXBDOWUDZ-AWEZNQCLSA-N 1 2 421.448 2.001 20 0 HDADLO COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000607021779 1075500800 /nfs/dbraw/zinc/50/08/00/1075500800.db2.gz PQJVINUBEXXCSX-UHFFFAOYSA-N 1 2 410.478 1.877 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000731752105 1075508736 /nfs/dbraw/zinc/50/87/36/1075508736.db2.gz OXFITQVBRTYPGD-UHFFFAOYSA-N 1 2 408.524 1.666 20 0 HDADLO CC(C)CNC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731753219 1075509722 /nfs/dbraw/zinc/50/97/22/1075509722.db2.gz FAIONXUQSBEADK-UHFFFAOYSA-N 1 2 424.567 1.703 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000731754205 1075510413 /nfs/dbraw/zinc/51/04/13/1075510413.db2.gz PLFJTMNWFCIDIT-UHFFFAOYSA-N 1 2 410.418 1.437 20 0 HDADLO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731754197 1075510475 /nfs/dbraw/zinc/51/04/75/1075510475.db2.gz PCRHBUMMCHGSIB-UHFFFAOYSA-N 1 2 424.567 1.764 20 0 HDADLO CCc1c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cnn1-c1ccc(C)cc1 ZINC000596034708 1075512574 /nfs/dbraw/zinc/51/25/74/1075512574.db2.gz YTOJTZFGYVTPFD-UHFFFAOYSA-N 1 2 408.506 2.524 20 0 HDADLO O=C(N[C@H](Cc1cccnc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000676340029 1075513086 /nfs/dbraw/zinc/51/30/86/1075513086.db2.gz OVERZAQFDZXRRB-NHCUHLMSSA-N 1 2 408.502 1.356 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCNc2ccc3ccccc3n2)CC1 ZINC000731761184 1075515666 /nfs/dbraw/zinc/51/56/66/1075515666.db2.gz WISYAVXLKGWTLL-UHFFFAOYSA-N 1 2 419.551 1.455 20 0 HDADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(NC(N)=O)cc1 ZINC000731760995 1075515721 /nfs/dbraw/zinc/51/57/21/1075515721.db2.gz MCLJFXGFZWBJKO-ZDUSSCGKSA-N 1 2 411.528 1.046 20 0 HDADLO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2cccnc12 ZINC000731765089 1075518804 /nfs/dbraw/zinc/51/88/04/1075518804.db2.gz NOPKLZOQUKTZNU-UHFFFAOYSA-N 1 2 418.519 1.107 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000676332504 1075522452 /nfs/dbraw/zinc/52/24/52/1075522452.db2.gz NPDUMDJGPBZTIE-GXFFZTMASA-N 1 2 401.364 1.874 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000676332504 1075522472 /nfs/dbraw/zinc/52/24/72/1075522472.db2.gz NPDUMDJGPBZTIE-GXFFZTMASA-N 1 2 401.364 1.874 20 0 HDADLO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000559722785 1075522544 /nfs/dbraw/zinc/52/25/44/1075522544.db2.gz YEUDIFXZUKOJQM-JKSUJKDBSA-N 1 2 422.892 2.195 20 0 HDADLO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000559722785 1075522550 /nfs/dbraw/zinc/52/25/50/1075522550.db2.gz YEUDIFXZUKOJQM-JKSUJKDBSA-N 1 2 422.892 2.195 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H](O)Cc3ccccc3)c2)CC1 ZINC000509407616 1075527159 /nfs/dbraw/zinc/52/71/59/1075527159.db2.gz QOYKUXDLWYOENT-OAQYLSRUSA-N 1 2 410.518 1.092 20 0 HDADLO COc1ccc(C(=O)NCCN2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000731845594 1075529633 /nfs/dbraw/zinc/52/96/33/1075529633.db2.gz BFKFGGAPERISES-OAQYLSRUSA-N 1 2 401.482 1.915 20 0 HDADLO O=C(Cc1ccc(Cl)s1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000509409586 1075532886 /nfs/dbraw/zinc/53/28/86/1075532886.db2.gz GBOKKIBMWFWNHX-UHFFFAOYSA-N 1 2 407.927 1.919 20 0 HDADLO O=C(Cc1ccc(Cl)s1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000509409586 1075532890 /nfs/dbraw/zinc/53/28/90/1075532890.db2.gz GBOKKIBMWFWNHX-UHFFFAOYSA-N 1 2 407.927 1.919 20 0 HDADLO CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000429434757 1075534765 /nfs/dbraw/zinc/53/47/65/1075534765.db2.gz RPNUTBIXRCMURL-ZDUSSCGKSA-N 1 2 400.464 1.609 20 0 HDADLO C[C@H](Sc1ncccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCCC1 ZINC000676389883 1075535118 /nfs/dbraw/zinc/53/51/18/1075535118.db2.gz RQBOHWVXYMJBRO-IRXDYDNUSA-N 1 2 418.563 1.731 20 0 HDADLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000047371907 1075539182 /nfs/dbraw/zinc/53/91/82/1075539182.db2.gz MGBYJBMKLNBZHX-AWEZNQCLSA-N 1 2 415.585 1.922 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)c2)cc[nH+]1 ZINC000506700007 1075541075 /nfs/dbraw/zinc/54/10/75/1075541075.db2.gz VQKJTEDQTRDYIU-MSOLQXFVSA-N 1 2 417.535 1.845 20 0 HDADLO O=S(=O)(NCC[NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccc(F)cc1Cl ZINC000509410903 1075543271 /nfs/dbraw/zinc/54/32/71/1075543271.db2.gz PNQFCXKKWNNHHP-UHFFFAOYSA-N 1 2 424.889 1.582 20 0 HDADLO O=S(=O)([C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1)N1CCOCC1 ZINC000676436967 1075553276 /nfs/dbraw/zinc/55/32/76/1075553276.db2.gz SCJFZRJYOHSBAX-OAHLLOKOSA-N 1 2 416.927 1.738 20 0 HDADLO O=S(=O)([C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1)N1CCOCC1 ZINC000676436967 1075553281 /nfs/dbraw/zinc/55/32/81/1075553281.db2.gz SCJFZRJYOHSBAX-OAHLLOKOSA-N 1 2 416.927 1.738 20 0 HDADLO CSc1ccc(C)c(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000441800557 1075556012 /nfs/dbraw/zinc/55/60/12/1075556012.db2.gz LIBXRLDLUXKTSI-UHFFFAOYSA-N 1 2 403.508 1.823 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000676472552 1075563792 /nfs/dbraw/zinc/56/37/92/1075563792.db2.gz ZLEUMDXQLYIRQT-HXUWFJFHSA-N 1 2 423.579 1.708 20 0 HDADLO COCCOc1ccccc1CNc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000676494680 1075565660 /nfs/dbraw/zinc/56/56/60/1075565660.db2.gz BZUAMZFGDDYPKS-UHFFFAOYSA-N 1 2 420.535 1.801 20 0 HDADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ccccc2s1 ZINC000804164911 1075568040 /nfs/dbraw/zinc/56/80/40/1075568040.db2.gz OEQVRCMIQWQYBS-GJZGRUSLSA-N 1 2 402.520 1.797 20 0 HDADLO CCOC(=O)c1sc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1C ZINC000731958977 1075576561 /nfs/dbraw/zinc/57/65/61/1075576561.db2.gz WWXNRWBPWGXQFU-AWEZNQCLSA-N 1 2 424.523 1.280 20 0 HDADLO C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438326454 1075577288 /nfs/dbraw/zinc/57/72/88/1075577288.db2.gz JFHRPGJCUDMDEQ-AWEZNQCLSA-N 1 2 409.437 2.083 20 0 HDADLO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000676554387 1075586818 /nfs/dbraw/zinc/58/68/18/1075586818.db2.gz KPSFRJOJQHHAHB-RTBURBONSA-N 1 2 412.494 1.025 20 0 HDADLO CN(C(=O)CSCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCCC1 ZINC000609428291 1075588214 /nfs/dbraw/zinc/58/82/14/1075588214.db2.gz MPMKTIYKVBDSAH-UHFFFAOYSA-N 1 2 423.583 1.678 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676546439 1075591168 /nfs/dbraw/zinc/59/11/68/1075591168.db2.gz GHSRESIFVRQSBK-UHFFFAOYSA-N 1 2 419.489 1.967 20 0 HDADLO Cc1ccccc1-c1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n(C)n1 ZINC000676547520 1075594162 /nfs/dbraw/zinc/59/41/62/1075594162.db2.gz QIIVFUJJJVCUGK-KRWDZBQOSA-N 1 2 411.506 1.657 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Oc1ccc(NC(=O)C2CC2)cc1 ZINC000732057132 1075596694 /nfs/dbraw/zinc/59/66/94/1075596694.db2.gz CBAVYGITENEMKY-LJQANCHMSA-N 1 2 415.490 1.654 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000804180751 1075611490 /nfs/dbraw/zinc/61/14/90/1075611490.db2.gz UQFVKZORQRCIMJ-QGZVFWFLSA-N 1 2 418.538 1.702 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000804180751 1075611495 /nfs/dbraw/zinc/61/14/95/1075611495.db2.gz UQFVKZORQRCIMJ-QGZVFWFLSA-N 1 2 418.538 1.702 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000548935957 1075616523 /nfs/dbraw/zinc/61/65/23/1075616523.db2.gz FAUJLGIYNAVYIC-HNNXBMFYSA-N 1 2 416.551 1.465 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000548935957 1075616527 /nfs/dbraw/zinc/61/65/27/1075616527.db2.gz FAUJLGIYNAVYIC-HNNXBMFYSA-N 1 2 416.551 1.465 20 0 HDADLO CN(CCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000804183211 1075628408 /nfs/dbraw/zinc/62/84/08/1075628408.db2.gz OTOSQOCIYJCGRB-KRWDZBQOSA-N 1 2 404.511 1.485 20 0 HDADLO CN(CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000804183211 1075628414 /nfs/dbraw/zinc/62/84/14/1075628414.db2.gz OTOSQOCIYJCGRB-KRWDZBQOSA-N 1 2 404.511 1.485 20 0 HDADLO CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)cc2S1(=O)=O ZINC000732127280 1075630969 /nfs/dbraw/zinc/63/09/69/1075630969.db2.gz GWMNNJXSDGNLIH-MRXNPFEDSA-N 1 2 421.519 1.178 20 0 HDADLO O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000732127277 1075630982 /nfs/dbraw/zinc/63/09/82/1075630982.db2.gz GWHNQRBTHXVNGP-INIZCTEOSA-N 1 2 411.524 1.391 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000532582668 1075641036 /nfs/dbraw/zinc/64/10/36/1075641036.db2.gz RZZNILNEXJWMHD-OAHLLOKOSA-N 1 2 411.510 1.462 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000532582668 1075641042 /nfs/dbraw/zinc/64/10/42/1075641042.db2.gz RZZNILNEXJWMHD-OAHLLOKOSA-N 1 2 411.510 1.462 20 0 HDADLO CCCC1N=NC(=S)N1CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165945 1075643722 /nfs/dbraw/zinc/64/37/22/1075643722.db2.gz RSVFZQCJLMYUGB-KRWDZBQOSA-N 1 2 403.552 1.579 20 0 HDADLO O=C(CN1c2ccccc2OCCC1=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732166459 1075644600 /nfs/dbraw/zinc/64/46/00/1075644600.db2.gz OKOBKINFASLALD-FQEVSTJZSA-N 1 2 423.513 1.862 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732167438 1075648020 /nfs/dbraw/zinc/64/80/20/1075648020.db2.gz ZUTWRVNWUJWTIF-QQUYBBDPSA-N 1 2 408.502 1.514 20 0 HDADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1nc(N)nc(Nc3ccccc3CC)n1)CC2 ZINC000532571565 1075651604 /nfs/dbraw/zinc/65/16/04/1075651604.db2.gz GFLGWQDBPOAHGZ-QZTJIDSGSA-N 1 2 412.538 1.934 20 0 HDADLO Nc1nsc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000676704874 1075655808 /nfs/dbraw/zinc/65/58/08/1075655808.db2.gz KNDQBWSRSMULHX-SNVBAGLBSA-N 1 2 404.323 1.989 20 0 HDADLO CC(=O)N[C@@H]1Cc2ccccc2N(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000676720448 1075666440 /nfs/dbraw/zinc/66/64/40/1075666440.db2.gz RFEIVRBTUCDKFP-LJQANCHMSA-N 1 2 412.559 1.960 20 0 HDADLO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000676721585 1075667290 /nfs/dbraw/zinc/66/72/90/1075667290.db2.gz UPKZYZUQLYCONH-UHFFFAOYSA-N 1 2 405.476 1.550 20 0 HDADLO O=S(=O)(Cc1ccc(Cl)cc1Br)N1CC[NH+](CCCO)CC1 ZINC000543684471 1075670711 /nfs/dbraw/zinc/67/07/11/1075670711.db2.gz KUQVUQQPBUGXPH-UHFFFAOYSA-N 1 2 411.749 1.932 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000676740454 1075671909 /nfs/dbraw/zinc/67/19/09/1075671909.db2.gz HUTSNVQIQHTLFR-DLBZAZTESA-N 1 2 423.535 1.135 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000676740454 1075671911 /nfs/dbraw/zinc/67/19/11/1075671911.db2.gz HUTSNVQIQHTLFR-DLBZAZTESA-N 1 2 423.535 1.135 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000676740455 1075671984 /nfs/dbraw/zinc/67/19/84/1075671984.db2.gz HUTSNVQIQHTLFR-IAGOWNOFSA-N 1 2 423.535 1.135 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000676740455 1075671985 /nfs/dbraw/zinc/67/19/85/1075671985.db2.gz HUTSNVQIQHTLFR-IAGOWNOFSA-N 1 2 423.535 1.135 20 0 HDADLO CCc1ccccc1Nc1nc(N)nc(CN2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000584486196 1075684686 /nfs/dbraw/zinc/68/46/86/1075684686.db2.gz SWZVFTLCWCTDTB-UHFFFAOYSA-N 1 2 404.522 1.895 20 0 HDADLO CNc1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(Cl)n1 ZINC000732279661 1075687937 /nfs/dbraw/zinc/68/79/37/1075687937.db2.gz POHKEHLHUZRJNO-UHFFFAOYSA-N 1 2 402.886 1.640 20 0 HDADLO O=C(Cn1nnc(-c2ccccc2)n1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000029222175 1075692843 /nfs/dbraw/zinc/69/28/43/1075692843.db2.gz QJHPIPAWVCZMCV-UHFFFAOYSA-N 1 2 419.489 1.559 20 0 HDADLO CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996614 1075696660 /nfs/dbraw/zinc/69/66/60/1075696660.db2.gz RKFKVWBCFMQWNJ-QBYKVAOYSA-N 1 2 403.527 1.081 20 0 HDADLO CCn1nc(C)c(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996614 1075696661 /nfs/dbraw/zinc/69/66/61/1075696661.db2.gz RKFKVWBCFMQWNJ-QBYKVAOYSA-N 1 2 403.527 1.081 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000429468144 1075700346 /nfs/dbraw/zinc/70/03/46/1075700346.db2.gz KCAAHELXSBIIHH-QCFAMHMHSA-N 1 2 414.550 1.928 20 0 HDADLO CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000494143703 1075712310 /nfs/dbraw/zinc/71/23/10/1075712310.db2.gz ABYFHXOXIKCZFE-WMZOPIPTSA-N 1 2 408.466 1.613 20 0 HDADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429259181 1075716316 /nfs/dbraw/zinc/71/63/16/1075716316.db2.gz XRMGJGQXRGVUTK-ZDUSSCGKSA-N 1 2 411.466 1.597 20 0 HDADLO O=C(COC(=O)c1ccc2nccn2c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000732347913 1075717663 /nfs/dbraw/zinc/71/76/63/1075717663.db2.gz HETATURAZHJBTN-UHFFFAOYSA-N 1 2 420.469 1.770 20 0 HDADLO Nc1nc(CN2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)nc2ccccc12 ZINC000477451587 1075728685 /nfs/dbraw/zinc/72/86/85/1075728685.db2.gz XYDQELVVGPZTOF-FQEVSTJZSA-N 1 2 424.549 1.357 20 0 HDADLO Nc1nc(CN2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)nc2ccccc12 ZINC000477451587 1075728689 /nfs/dbraw/zinc/72/86/89/1075728689.db2.gz XYDQELVVGPZTOF-FQEVSTJZSA-N 1 2 424.549 1.357 20 0 HDADLO COC(=O)c1cc(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1F ZINC000732422987 1075733816 /nfs/dbraw/zinc/73/38/16/1075733816.db2.gz VELIAVSAAGATHW-UHFFFAOYSA-N 1 2 413.413 1.643 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)CC2)cc1 ZINC000429474192 1075737104 /nfs/dbraw/zinc/73/71/04/1075737104.db2.gz RCJJPGACVUCICU-HQRMLTQVSA-N 1 2 400.523 1.922 20 0 HDADLO C[C@@](O)(CSc1cccc(F)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000511738118 1075737999 /nfs/dbraw/zinc/73/79/99/1075737999.db2.gz OOLQNWSQCZSAET-LJQANCHMSA-N 1 2 408.499 1.836 20 0 HDADLO O=C(CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)NCc1ccccc1 ZINC000732447130 1075747378 /nfs/dbraw/zinc/74/73/78/1075747378.db2.gz GUYRUHMSKBSZKU-NRFANRHFSA-N 1 2 410.518 1.546 20 0 HDADLO COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732460000 1075749985 /nfs/dbraw/zinc/74/99/85/1075749985.db2.gz VTOGPVQAZQGWTP-MOPGFXCFSA-N 1 2 404.511 1.460 20 0 HDADLO CN(C)c1ncc(Br)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000499372531 1075753600 /nfs/dbraw/zinc/75/36/00/1075753600.db2.gz XACNZKRKVPPOFE-UHFFFAOYSA-N 1 2 423.315 1.691 20 0 HDADLO CCOC(=O)N1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732476837 1075756968 /nfs/dbraw/zinc/75/69/68/1075756968.db2.gz YTHMDKOINUSMMA-FQEVSTJZSA-N 1 2 418.538 1.804 20 0 HDADLO FC(F)Oc1nccnc1N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000568802720 1075759327 /nfs/dbraw/zinc/75/93/27/1075759327.db2.gz FPVULQGLFVZEEB-ZDUSSCGKSA-N 1 2 407.425 1.786 20 0 HDADLO FC(F)Oc1nccnc1N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000568802720 1075759332 /nfs/dbraw/zinc/75/93/32/1075759332.db2.gz FPVULQGLFVZEEB-ZDUSSCGKSA-N 1 2 407.425 1.786 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000514136557 1075760057 /nfs/dbraw/zinc/76/00/57/1075760057.db2.gz RJPXGGDIYOHOMX-OAHLLOKOSA-N 1 2 408.510 1.556 20 0 HDADLO CC(C)(C)c1cc(NC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)no1 ZINC000429058667 1075771101 /nfs/dbraw/zinc/77/11/01/1075771101.db2.gz GONTWYFWIMKSGO-INIZCTEOSA-N 1 2 402.495 2.562 20 0 HDADLO COCc1c(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cnn1-c1ccccc1 ZINC000466643159 1075771730 /nfs/dbraw/zinc/77/17/30/1075771730.db2.gz SUZCCRRRIOWBCC-INIZCTEOSA-N 1 2 400.479 1.728 20 0 HDADLO Nc1nsc(N2CC[NH+](C[C@H](O)COc3ccccc3C(F)(F)F)CC2)n1 ZINC000544071100 1075771904 /nfs/dbraw/zinc/77/19/04/1075771904.db2.gz NBHNNWWZHDTEEU-NSHDSACASA-N 1 2 403.430 1.701 20 0 HDADLO Cc1nc(N(C)C)nc(NCC[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH+]1 ZINC001063305928 1075785097 /nfs/dbraw/zinc/78/50/97/1075785097.db2.gz LGNGAWMWXBGVSG-RFSXOUPVSA-N 1 2 400.527 1.710 20 0 HDADLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448497262 1075790167 /nfs/dbraw/zinc/79/01/67/1075790167.db2.gz VFIHKQXWTQAJME-OAHLLOKOSA-N 1 2 419.913 2.027 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000483587581 1075796252 /nfs/dbraw/zinc/79/62/52/1075796252.db2.gz UJKGVMSSIYYFEL-CJNGLKHVSA-N 1 2 413.375 1.927 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000483587581 1075796256 /nfs/dbraw/zinc/79/62/56/1075796256.db2.gz UJKGVMSSIYYFEL-CJNGLKHVSA-N 1 2 413.375 1.927 20 0 HDADLO CC(C)C(=O)Nc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000469909070 1075802487 /nfs/dbraw/zinc/80/24/87/1075802487.db2.gz RQFQSRRYOYSPBW-UHFFFAOYSA-N 1 2 400.483 2.454 20 0 HDADLO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Nc3ccnn3-c3cc[nH+]cc3)ccc2O1 ZINC000611028973 1075814491 /nfs/dbraw/zinc/81/44/91/1075814491.db2.gz PDZMKSNBDUTGCD-KRWDZBQOSA-N 1 2 414.443 1.935 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1csc(-c2ccccn2)n1 ZINC000543605487 1075830611 /nfs/dbraw/zinc/83/06/11/1075830611.db2.gz PPQPXZWUSOHTII-MRXNPFEDSA-N 1 2 415.519 1.857 20 0 HDADLO O=C(COC(=O)c1ccnc(C2CC2)n1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000732694397 1075833260 /nfs/dbraw/zinc/83/32/60/1075833260.db2.gz MVDUXUHYKQQTQN-UHFFFAOYSA-N 1 2 422.485 1.790 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CCO1 ZINC000732702603 1075836381 /nfs/dbraw/zinc/83/63/81/1075836381.db2.gz YHUOBGYNUKAPQL-LPHOPBHVSA-N 1 2 410.946 1.421 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CCO1 ZINC000732702603 1075836386 /nfs/dbraw/zinc/83/63/86/1075836386.db2.gz YHUOBGYNUKAPQL-LPHOPBHVSA-N 1 2 410.946 1.421 20 0 HDADLO O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732798235 1075860971 /nfs/dbraw/zinc/86/09/71/1075860971.db2.gz LKHRMMPNAHODHH-WMZHIEFXSA-N 1 2 410.518 1.900 20 0 HDADLO O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732798235 1075860976 /nfs/dbraw/zinc/86/09/76/1075860976.db2.gz LKHRMMPNAHODHH-WMZHIEFXSA-N 1 2 410.518 1.900 20 0 HDADLO O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521788248 1075863694 /nfs/dbraw/zinc/86/36/94/1075863694.db2.gz DXKYZCHJWYKJCX-UHFFFAOYSA-N 1 2 421.448 1.642 20 0 HDADLO O=C(CCc1nc(-c2ccsc2)no1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596034674 1075868601 /nfs/dbraw/zinc/86/86/01/1075868601.db2.gz UTFXAWDUJHSZJX-UHFFFAOYSA-N 1 2 402.480 1.898 20 0 HDADLO O=C(CCc1nc(-c2cccs2)no1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596034242 1075868682 /nfs/dbraw/zinc/86/86/82/1075868682.db2.gz KXBDXLXVVPKEKF-UHFFFAOYSA-N 1 2 402.480 1.898 20 0 HDADLO C[C@H](C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)[NH+]1CCN(C)CC1 ZINC000732912347 1075910057 /nfs/dbraw/zinc/91/00/57/1075910057.db2.gz KNEUKDQTFXGLKW-LLVKDONJSA-N 1 2 406.399 1.667 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc[nH]c1=S ZINC000732915405 1075911614 /nfs/dbraw/zinc/91/16/14/1075911614.db2.gz HDYLRZNTWVCLPV-CQSZACIVSA-N 1 2 400.508 1.396 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc[nH]c1=S ZINC000732915405 1075911618 /nfs/dbraw/zinc/91/16/18/1075911618.db2.gz HDYLRZNTWVCLPV-CQSZACIVSA-N 1 2 400.508 1.396 20 0 HDADLO CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611380510 1075921723 /nfs/dbraw/zinc/92/17/23/1075921723.db2.gz IVQPANOKIAQTFG-INIZCTEOSA-N 1 2 417.506 1.904 20 0 HDADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732967490 1075928004 /nfs/dbraw/zinc/92/80/04/1075928004.db2.gz CGCFZMUBMFVIMJ-QFBILLFUSA-N 1 2 407.461 1.809 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000733045936 1075953458 /nfs/dbraw/zinc/95/34/58/1075953458.db2.gz WFNZPICATLWDHV-CYBMUJFWSA-N 1 2 405.471 1.563 20 0 HDADLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000611531632 1075958467 /nfs/dbraw/zinc/95/84/67/1075958467.db2.gz ONOSHFADIDTHFW-LJQANCHMSA-N 1 2 414.506 1.884 20 0 HDADLO COC(=O)CN(C)C(=O)CC[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000611531632 1075958469 /nfs/dbraw/zinc/95/84/69/1075958469.db2.gz ONOSHFADIDTHFW-LJQANCHMSA-N 1 2 414.506 1.884 20 0 HDADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018121684 1075969039 /nfs/dbraw/zinc/96/90/39/1075969039.db2.gz NCNVMCNJKBEQJL-UHFFFAOYSA-N 1 2 422.485 1.303 20 0 HDADLO COc1ccc(NC(=O)[C@@H]2CCCN2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000733194375 1076001472 /nfs/dbraw/zinc/00/14/72/1076001472.db2.gz NFGIAVIATKIBAU-IBGZPJMESA-N 1 2 418.538 1.325 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000494913875 1076003654 /nfs/dbraw/zinc/00/36/54/1076003654.db2.gz BQCUNHMYBCZTEQ-RTWAWAEBSA-N 1 2 416.543 1.844 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000494913875 1076003661 /nfs/dbraw/zinc/00/36/61/1076003661.db2.gz BQCUNHMYBCZTEQ-RTWAWAEBSA-N 1 2 416.543 1.844 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCCCNc3cccc[nH+]3)C2)no1 ZINC000514024081 1076016370 /nfs/dbraw/zinc/01/63/70/1076016370.db2.gz GKDCJLNMLSUURJ-INIZCTEOSA-N 1 2 415.498 1.662 20 0 HDADLO O=C1C[C@@H](c2ccccn2)CN1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000733291399 1076040031 /nfs/dbraw/zinc/04/00/31/1076040031.db2.gz KWAWXUPJNJBLFE-LJQANCHMSA-N 1 2 408.502 1.944 20 0 HDADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 ZINC000727131214 1076050421 /nfs/dbraw/zinc/05/04/21/1076050421.db2.gz ARMKBLCORZTWDS-HNNXBMFYSA-N 1 2 416.588 1.303 20 0 HDADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 ZINC000727131214 1076050424 /nfs/dbraw/zinc/05/04/24/1076050424.db2.gz ARMKBLCORZTWDS-HNNXBMFYSA-N 1 2 416.588 1.303 20 0 HDADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC000727135220 1076051234 /nfs/dbraw/zinc/05/12/34/1076051234.db2.gz UKAREBBPIMHTNQ-CYBMUJFWSA-N 1 2 423.514 1.313 20 0 HDADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O ZINC000727135220 1076051246 /nfs/dbraw/zinc/05/12/46/1076051246.db2.gz UKAREBBPIMHTNQ-CYBMUJFWSA-N 1 2 423.514 1.313 20 0 HDADLO C[N@H+](CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C(C1CC1)C1CC1 ZINC000727166066 1076067262 /nfs/dbraw/zinc/06/72/62/1076067262.db2.gz ROVWKJJHQFSRJO-FQEVSTJZSA-N 1 2 405.520 1.935 20 0 HDADLO C[N@@H+](CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C(C1CC1)C1CC1 ZINC000727166066 1076067275 /nfs/dbraw/zinc/06/72/75/1076067275.db2.gz ROVWKJJHQFSRJO-FQEVSTJZSA-N 1 2 405.520 1.935 20 0 HDADLO O=C(COC(=O)c1cnn2ccccc12)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000733554096 1076096858 /nfs/dbraw/zinc/09/68/58/1076096858.db2.gz PIVKSUYIQQEFSJ-UHFFFAOYSA-N 1 2 420.469 1.770 20 0 HDADLO CC(C)n1ccc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000733590352 1076118397 /nfs/dbraw/zinc/11/83/97/1076118397.db2.gz YERCFJUKERPTCQ-UHFFFAOYSA-N 1 2 400.479 1.769 20 0 HDADLO C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)CCO1 ZINC000727434754 1076119086 /nfs/dbraw/zinc/11/90/86/1076119086.db2.gz MOAXHDFCWWOXKP-CABCVRRESA-N 1 2 415.490 1.548 20 0 HDADLO Cc1cc(N2CCN(C(=O)COC(=O)COC[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000733596287 1076121284 /nfs/dbraw/zinc/12/12/84/1076121284.db2.gz UTULZULESFKSKY-KRWDZBQOSA-N 1 2 420.510 1.296 20 0 HDADLO CN(CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1=NS(=O)(=O)c2ccccc21 ZINC000727496832 1076137986 /nfs/dbraw/zinc/13/79/86/1076137986.db2.gz SCAFWJORGFCVBW-INIZCTEOSA-N 1 2 403.508 1.495 20 0 HDADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000727495767 1076138075 /nfs/dbraw/zinc/13/80/75/1076138075.db2.gz ITMJJOSBCCWHMV-SFHVURJKSA-N 1 2 409.490 1.486 20 0 HDADLO CNC(=O)c1cccc(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000733793921 1076214658 /nfs/dbraw/zinc/21/46/58/1076214658.db2.gz FPOIJBMLFTUCER-UHFFFAOYSA-N 1 2 404.511 1.557 20 0 HDADLO CNC(=O)c1cccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000733793921 1076214665 /nfs/dbraw/zinc/21/46/65/1076214665.db2.gz FPOIJBMLFTUCER-UHFFFAOYSA-N 1 2 404.511 1.557 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Br)cc(N)c2N)CC1 ZINC001299319619 1076248976 /nfs/dbraw/zinc/24/89/76/1076248976.db2.gz WHEBMVQDBMEXLA-UHFFFAOYSA-N 1 2 401.305 1.033 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000535315259 1076252522 /nfs/dbraw/zinc/25/25/22/1076252522.db2.gz RSBQHPSUPQROHZ-HXUWFJFHSA-N 1 2 417.469 1.533 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000535315259 1076252526 /nfs/dbraw/zinc/25/25/26/1076252526.db2.gz RSBQHPSUPQROHZ-HXUWFJFHSA-N 1 2 417.469 1.533 20 0 HDADLO COCCOc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1OC ZINC000535315937 1076252560 /nfs/dbraw/zinc/25/25/60/1076252560.db2.gz XDWGLGHUANMJSL-GOSISDBHSA-N 1 2 413.474 1.962 20 0 HDADLO COCCOc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1OC ZINC000535315937 1076252565 /nfs/dbraw/zinc/25/25/65/1076252565.db2.gz XDWGLGHUANMJSL-GOSISDBHSA-N 1 2 413.474 1.962 20 0 HDADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536037772 1076254664 /nfs/dbraw/zinc/25/46/64/1076254664.db2.gz YUZFGMJONXCUNT-GOSISDBHSA-N 1 2 401.488 1.640 20 0 HDADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536037772 1076254665 /nfs/dbraw/zinc/25/46/65/1076254665.db2.gz YUZFGMJONXCUNT-GOSISDBHSA-N 1 2 401.488 1.640 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1S(C)(=O)=O ZINC000536200461 1076255996 /nfs/dbraw/zinc/25/59/96/1076255996.db2.gz YQYZIWXZOMNLBC-QGZVFWFLSA-N 1 2 401.488 1.640 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1S(C)(=O)=O ZINC000536200461 1076255998 /nfs/dbraw/zinc/25/59/98/1076255998.db2.gz YQYZIWXZOMNLBC-QGZVFWFLSA-N 1 2 401.488 1.640 20 0 HDADLO CCC(=CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1)CC ZINC001065697346 1076256786 /nfs/dbraw/zinc/25/67/86/1076256786.db2.gz BKCOYKVRTYHRED-YENHRIDLSA-N 1 2 401.551 1.901 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(Br)s2)CC1 ZINC000733954604 1076273867 /nfs/dbraw/zinc/27/38/67/1076273867.db2.gz UUIPKVBYERIJIN-UHFFFAOYSA-N 1 2 409.371 1.678 20 0 HDADLO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733985828 1076283678 /nfs/dbraw/zinc/28/36/78/1076283678.db2.gz NAVZTUSFNLOSFZ-HCWHUNCVSA-N 1 2 420.560 1.978 20 0 HDADLO CC(C)C[C@@H](C)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000727884604 1076283822 /nfs/dbraw/zinc/28/38/22/1076283822.db2.gz XFEQYRZALVDIFI-OAHLLOKOSA-N 1 2 402.499 1.627 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](OC)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000728056384 1076322848 /nfs/dbraw/zinc/32/28/48/1076322848.db2.gz SNLNVQYJEOOXQF-APWZRJJASA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](OC)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000728056384 1076322853 /nfs/dbraw/zinc/32/28/53/1076322853.db2.gz SNLNVQYJEOOXQF-APWZRJJASA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](OC)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000728056384 1076322857 /nfs/dbraw/zinc/32/28/57/1076322857.db2.gz SNLNVQYJEOOXQF-APWZRJJASA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](OC)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000728056384 1076322865 /nfs/dbraw/zinc/32/28/65/1076322865.db2.gz SNLNVQYJEOOXQF-APWZRJJASA-N 1 2 403.479 1.977 20 0 HDADLO O=C(CN1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1)NC1CC1 ZINC000025300848 1076351406 /nfs/dbraw/zinc/35/14/06/1076351406.db2.gz CVFPQJVSIQBXFC-AWEZNQCLSA-N 1 2 402.322 1.629 20 0 HDADLO Cc1cc(N2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)nc(C(C)C)[nH+]1 ZINC000025994902 1076356198 /nfs/dbraw/zinc/35/61/98/1076356198.db2.gz NDJPMUVSCRJXKL-MRXNPFEDSA-N 1 2 409.556 1.371 20 0 HDADLO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730087678 1076441451 /nfs/dbraw/zinc/44/14/51/1076441451.db2.gz XEBXJJWOXOBRLS-SJORKVTESA-N 1 2 402.520 1.133 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000730134060 1076460111 /nfs/dbraw/zinc/46/01/11/1076460111.db2.gz LUBSINVACFSADK-KRWDZBQOSA-N 1 2 411.591 1.911 20 0 HDADLO C[N@H+](Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S)[C@@H]1CCOC1 ZINC000730258276 1076501672 /nfs/dbraw/zinc/50/16/72/1076501672.db2.gz FJFCDVCVGDAISL-CYBMUJFWSA-N 1 2 413.521 1.663 20 0 HDADLO C[N@@H+](Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S)[C@@H]1CCOC1 ZINC000730258276 1076501676 /nfs/dbraw/zinc/50/16/76/1076501676.db2.gz FJFCDVCVGDAISL-CYBMUJFWSA-N 1 2 413.521 1.663 20 0 HDADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000730263631 1076504651 /nfs/dbraw/zinc/50/46/51/1076504651.db2.gz HMWRQHUFIQUNBJ-KRWDZBQOSA-N 1 2 404.511 1.991 20 0 HDADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000730263631 1076504658 /nfs/dbraw/zinc/50/46/58/1076504658.db2.gz HMWRQHUFIQUNBJ-KRWDZBQOSA-N 1 2 404.511 1.991 20 0 HDADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730378110 1076552358 /nfs/dbraw/zinc/55/23/58/1076552358.db2.gz IRIOMOCLHIVVQE-QZTJIDSGSA-N 1 2 417.506 1.712 20 0 HDADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730378110 1076552364 /nfs/dbraw/zinc/55/23/64/1076552364.db2.gz IRIOMOCLHIVVQE-QZTJIDSGSA-N 1 2 417.506 1.712 20 0 HDADLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000730534269 1076592141 /nfs/dbraw/zinc/59/21/41/1076592141.db2.gz ULGQCZUBXRLJOK-UHFFFAOYSA-N 1 2 422.411 1.680 20 0 HDADLO O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000730553410 1076599946 /nfs/dbraw/zinc/59/99/46/1076599946.db2.gz YYZDDWVQUDIQOV-INIZCTEOSA-N 1 2 411.955 1.917 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(OC(C)C)CC3)C2=O)c1 ZINC000730571663 1076607135 /nfs/dbraw/zinc/60/71/35/1076607135.db2.gz ZDGCCBZCUMJVKO-NRFANRHFSA-N 1 2 418.494 1.383 20 0 HDADLO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000730786570 1076657972 /nfs/dbraw/zinc/65/79/72/1076657972.db2.gz FJWJCJCLSVFZCW-NSHDSACASA-N 1 2 405.314 1.303 20 0 HDADLO COCC[N@H+]1CC[C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000730786570 1076657974 /nfs/dbraw/zinc/65/79/74/1076657974.db2.gz FJWJCJCLSVFZCW-NSHDSACASA-N 1 2 405.314 1.303 20 0 HDADLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000731004922 1076708519 /nfs/dbraw/zinc/70/85/19/1076708519.db2.gz STOKSEXIJRJHSB-NSHDSACASA-N 1 2 423.507 1.417 20 0 HDADLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000731004922 1076708526 /nfs/dbraw/zinc/70/85/26/1076708526.db2.gz STOKSEXIJRJHSB-NSHDSACASA-N 1 2 423.507 1.417 20 0 HDADLO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000731038754 1076716248 /nfs/dbraw/zinc/71/62/48/1076716248.db2.gz PXKVQJUBPKUXMP-HXUWFJFHSA-N 1 2 421.494 1.857 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(OC)c(NC(C)C)n3)CC2)C1=O ZINC001164636751 719267194 /nfs/dbraw/zinc/26/71/94/719267194.db2.gz JXPCWSMITDGJSK-UHFFFAOYSA-N 1 2 406.531 1.065 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(OC)c(NC(C)C)n3)CC2)C1=O ZINC001164636751 719267198 /nfs/dbraw/zinc/26/71/98/719267198.db2.gz JXPCWSMITDGJSK-UHFFFAOYSA-N 1 2 406.531 1.065 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(Cl)c3C(=O)OC)CC2)C1=O ZINC001164636835 719268496 /nfs/dbraw/zinc/26/84/96/719268496.db2.gz XNZGVGATSUPFJP-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(Cl)c3C(=O)OC)CC2)C1=O ZINC001164636835 719268498 /nfs/dbraw/zinc/26/84/98/719268498.db2.gz XNZGVGATSUPFJP-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO CCCN(CCC)c1cncc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164637890 719278169 /nfs/dbraw/zinc/27/81/69/719278169.db2.gz ATVVJQAFBJHMTA-UHFFFAOYSA-N 1 2 418.586 1.862 20 0 HDADLO CCCN(CCC)c1cncc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164637890 719278172 /nfs/dbraw/zinc/27/81/72/719278172.db2.gz ATVVJQAFBJHMTA-UHFFFAOYSA-N 1 2 418.586 1.862 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(=O)NC(C)(C)C)ccn3)CC2)C1=O ZINC001164641032 719278461 /nfs/dbraw/zinc/27/84/61/719278461.db2.gz ROSGPQQQQZTNGJ-UHFFFAOYSA-N 1 2 417.554 1.369 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(=O)NC(C)(C)C)ccn3)CC2)C1=O ZINC001164641032 719278463 /nfs/dbraw/zinc/27/84/63/719278463.db2.gz ROSGPQQQQZTNGJ-UHFFFAOYSA-N 1 2 417.554 1.369 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4nc(C)no4)ccn3)CC2)C1=O ZINC001164644689 719281038 /nfs/dbraw/zinc/28/10/38/719281038.db2.gz QMBVTIBIULOYES-UHFFFAOYSA-N 1 2 400.483 1.199 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4nc(C)no4)ccn3)CC2)C1=O ZINC001164644689 719281042 /nfs/dbraw/zinc/28/10/42/719281042.db2.gz QMBVTIBIULOYES-UHFFFAOYSA-N 1 2 400.483 1.199 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)C1=O ZINC001164644870 719282749 /nfs/dbraw/zinc/28/27/49/719282749.db2.gz VKXXDDZXKIOTSX-UHFFFAOYSA-N 1 2 424.549 1.915 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)C1=O ZINC001164644870 719282752 /nfs/dbraw/zinc/28/27/52/719282752.db2.gz VKXXDDZXKIOTSX-UHFFFAOYSA-N 1 2 424.549 1.915 20 0 HDADLO CCOC(=O)/C=C/c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701031 719840675 /nfs/dbraw/zinc/84/06/75/719840675.db2.gz LPEQKOXNZSYLNH-HMRDUNCJSA-N 1 2 417.506 1.891 20 0 HDADLO COC(=O)c1c[nH]c2nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)ccc12 ZINC001164698027 719848533 /nfs/dbraw/zinc/84/85/33/719848533.db2.gz DIWCIHOHAMGDOO-SZNDQCEHSA-N 1 2 416.478 1.582 20 0 HDADLO COC(=O)c1c[nH]c2nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)ccc12 ZINC001164698022 719848643 /nfs/dbraw/zinc/84/86/43/719848643.db2.gz DIWCIHOHAMGDOO-SPLOXXLWSA-N 1 2 416.478 1.582 20 0 HDADLO CCOc1ccc(C(=O)OC)c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164699430 719858177 /nfs/dbraw/zinc/85/81/77/719858177.db2.gz FDBWILICNWCYND-YCRPNKLZSA-N 1 2 421.494 1.500 20 0 HDADLO CNC(=O)c1nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ccc1Cl ZINC001164697768 719859478 /nfs/dbraw/zinc/85/94/78/719859478.db2.gz AKIXQUHQWURLTM-DJJJIMSYSA-N 1 2 410.902 1.327 20 0 HDADLO CCOC(=O)/C=C\c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164700984 719861002 /nfs/dbraw/zinc/86/10/02/719861002.db2.gz IZHTVRNUAQAPJC-YPEATMBISA-N 1 2 417.506 1.891 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164708784 719917621 /nfs/dbraw/zinc/91/76/21/719917621.db2.gz QGKRLYZVRBLHHS-UHFFFAOYSA-N 1 2 406.494 1.156 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164709150 719921621 /nfs/dbraw/zinc/92/16/21/719921621.db2.gz ZOZQMOVUPOCQPW-UHFFFAOYSA-N 1 2 417.517 1.827 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164708824 719932495 /nfs/dbraw/zinc/93/24/95/719932495.db2.gz SRDGQWMYRNKVAY-UHFFFAOYSA-N 1 2 418.505 1.222 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccnc1OC1CCC1)CC2 ZINC001164708818 719933181 /nfs/dbraw/zinc/93/31/81/719933181.db2.gz SDLVIPMEVXOIIM-UHFFFAOYSA-N 1 2 411.510 1.092 20 0 HDADLO CCc1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709041 719934752 /nfs/dbraw/zinc/93/47/52/719934752.db2.gz XAAXUVADQORPQE-UHFFFAOYSA-N 1 2 403.918 1.376 20 0 HDADLO COc1cccc2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc21 ZINC001164703045 720047707 /nfs/dbraw/zinc/04/77/07/720047707.db2.gz IJHWTZBAWCFDRE-UHFFFAOYSA-N 1 2 420.517 1.927 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164704180 720048093 /nfs/dbraw/zinc/04/80/93/720048093.db2.gz OMCHDYWEPZVYIW-IBGZPJMESA-N 1 2 422.892 1.546 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3C(=O)OC)C2)C1 ZINC001164719265 720210687 /nfs/dbraw/zinc/21/06/87/720210687.db2.gz PVWITNUHTWZJPF-LJQANCHMSA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ccc3C(=O)OC)C2)C1 ZINC001164719265 720210697 /nfs/dbraw/zinc/21/06/97/720210697.db2.gz PVWITNUHTWZJPF-LJQANCHMSA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cn3)C2)C1 ZINC001164716791 720218615 /nfs/dbraw/zinc/21/86/15/720218615.db2.gz FAAOKBNVJYSCPL-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cn3)C2)C1 ZINC001164716791 720218625 /nfs/dbraw/zinc/21/86/25/720218625.db2.gz FAAOKBNVJYSCPL-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nn3)C2)C1 ZINC001164719706 720225379 /nfs/dbraw/zinc/22/53/79/720225379.db2.gz SRFQQLWUZWMHTO-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nn3)C2)C1 ZINC001164719706 720225388 /nfs/dbraw/zinc/22/53/88/720225388.db2.gz SRFQQLWUZWMHTO-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718679 720231238 /nfs/dbraw/zinc/23/12/38/720231238.db2.gz GTTZBDXPAFPNSD-QGZVFWFLSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718679 720231249 /nfs/dbraw/zinc/23/12/49/720231249.db2.gz GTTZBDXPAFPNSD-QGZVFWFLSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)n3)C2)C1 ZINC001164719830 720234681 /nfs/dbraw/zinc/23/46/81/720234681.db2.gz PKUJWSFKDDBCAH-KRWDZBQOSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)n3)C2)C1 ZINC001164719830 720234694 /nfs/dbraw/zinc/23/46/94/720234694.db2.gz PKUJWSFKDDBCAH-KRWDZBQOSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164717503 720251969 /nfs/dbraw/zinc/25/19/69/720251969.db2.gz AAPYZVKGXPSLPZ-QZTJIDSGSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164717503 720251991 /nfs/dbraw/zinc/25/19/91/720251991.db2.gz AAPYZVKGXPSLPZ-QZTJIDSGSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nccnc3Cl)C2)C1 ZINC001164721594 720277228 /nfs/dbraw/zinc/27/72/28/720277228.db2.gz LOWGHCPLSDZVMM-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nccnc3Cl)C2)C1 ZINC001164721594 720277236 /nfs/dbraw/zinc/27/72/36/720277236.db2.gz LOWGHCPLSDZVMM-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)N(C)C)cc3Cl)C2)C1 ZINC001164721223 720290164 /nfs/dbraw/zinc/29/01/64/720290164.db2.gz HWUSHFLCPFDJHX-FQEVSTJZSA-N 1 2 423.945 1.102 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)N(C)C)cc3Cl)C2)C1 ZINC001164721223 720290174 /nfs/dbraw/zinc/29/01/74/720290174.db2.gz HWUSHFLCPFDJHX-FQEVSTJZSA-N 1 2 423.945 1.102 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)OC(C)C)C2)C1 ZINC001164724633 720304575 /nfs/dbraw/zinc/30/45/75/720304575.db2.gz SNYFYJZDPIQNIN-OAQYLSRUSA-N 1 2 404.511 1.312 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C(=O)OC(C)C)C2)C1 ZINC001164724633 720304581 /nfs/dbraw/zinc/30/45/81/720304581.db2.gz SNYFYJZDPIQNIN-OAQYLSRUSA-N 1 2 404.511 1.312 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3cccnc3n1)C2 ZINC001164824084 720448800 /nfs/dbraw/zinc/44/88/00/720448800.db2.gz LSRINPPXBOBPIA-SFHVURJKSA-N 1 2 408.506 1.816 20 0 HDADLO COCc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832685 720472573 /nfs/dbraw/zinc/47/25/73/720472573.db2.gz VPZATFFCHHFGCB-GOSISDBHSA-N 1 2 401.511 1.414 20 0 HDADLO COc1ncc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830334 720477460 /nfs/dbraw/zinc/47/74/60/720477460.db2.gz AGJCYLJIKMQPBK-CQSZACIVSA-N 1 2 422.917 1.325 20 0 HDADLO COc1ncc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830332 720478258 /nfs/dbraw/zinc/47/82/58/720478258.db2.gz AGJCYLJIKMQPBK-AWEZNQCLSA-N 1 2 422.917 1.325 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(C(F)F)cn1)C2 ZINC001164834807 720479358 /nfs/dbraw/zinc/47/93/58/720479358.db2.gz VHCRQKPXCXXLEA-HNNXBMFYSA-N 1 2 408.453 1.600 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc(S(C)(=O)=O)n4)C[C@@H]3C2)cn1 ZINC001164771557 721070621 /nfs/dbraw/zinc/07/06/21/721070621.db2.gz SATOQEVSVCDUMK-KGLIPLIRSA-N 1 2 410.931 1.225 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc(S(C)(=O)=O)n4)C[C@@H]3C2)cn1 ZINC001164771557 721070624 /nfs/dbraw/zinc/07/06/24/721070624.db2.gz SATOQEVSVCDUMK-KGLIPLIRSA-N 1 2 410.931 1.225 20 0 HDADLO COc1cnc(SC)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913314 721770641 /nfs/dbraw/zinc/77/06/41/721770641.db2.gz WHILVPHOQIQGTJ-FQEVSTJZSA-N 1 2 417.535 1.710 20 0 HDADLO COc1cnc(SC)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913314 721770643 /nfs/dbraw/zinc/77/06/43/721770643.db2.gz WHILVPHOQIQGTJ-FQEVSTJZSA-N 1 2 417.535 1.710 20 0 HDADLO c1cn(-c2cncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cn1 ZINC001164915512 721789310 /nfs/dbraw/zinc/78/93/10/721789310.db2.gz KUNQVZLVLHJEMA-NRFANRHFSA-N 1 2 407.478 1.165 20 0 HDADLO c1cn(-c2cncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cn1 ZINC001164915512 721789311 /nfs/dbraw/zinc/78/93/11/721789311.db2.gz KUNQVZLVLHJEMA-NRFANRHFSA-N 1 2 407.478 1.165 20 0 HDADLO COCc1nc(OC)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914357 721800281 /nfs/dbraw/zinc/80/02/81/721800281.db2.gz MHQDCKGVJGJDDV-NRFANRHFSA-N 1 2 415.494 1.134 20 0 HDADLO COCc1nc(OC)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914357 721800282 /nfs/dbraw/zinc/80/02/82/721800282.db2.gz MHQDCKGVJGJDDV-NRFANRHFSA-N 1 2 415.494 1.134 20 0 HDADLO COCc1nc(OC)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914359 721800490 /nfs/dbraw/zinc/80/04/90/721800490.db2.gz MHQDCKGVJGJDDV-OAQYLSRUSA-N 1 2 415.494 1.134 20 0 HDADLO COCc1nc(OC)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914359 721800491 /nfs/dbraw/zinc/80/04/91/721800491.db2.gz MHQDCKGVJGJDDV-OAQYLSRUSA-N 1 2 415.494 1.134 20 0 HDADLO F[C@H](Oc1ccc(Cl)nn1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913750 721801473 /nfs/dbraw/zinc/80/14/73/721801473.db2.gz GUCDFISLHOLWNI-RBUKOAKNSA-N 1 2 423.876 1.760 20 0 HDADLO F[C@H](Oc1ccc(Cl)nn1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913750 721801474 /nfs/dbraw/zinc/80/14/74/721801474.db2.gz GUCDFISLHOLWNI-RBUKOAKNSA-N 1 2 423.876 1.760 20 0 HDADLO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917270 721814574 /nfs/dbraw/zinc/81/45/74/721814574.db2.gz KIWADTIJJFYJFA-UHFFFAOYSA-N 1 2 404.902 1.792 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)ncc2N2CCOCC2)CC1 ZINC001164917896 721815883 /nfs/dbraw/zinc/81/58/83/721815883.db2.gz PWXCJOUCLLLICB-UHFFFAOYSA-N 1 2 417.945 1.913 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2c(Cl)nc(Cl)nc2C(N)=O)CC1 ZINC001164916346 721816607 /nfs/dbraw/zinc/81/66/07/721816607.db2.gz CKSYVNQJOVVRIN-UHFFFAOYSA-N 1 2 410.309 1.828 20 0 HDADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N(C)C)[nH+]cn4)CCO3)C2)cs1 ZINC001164918182 721822876 /nfs/dbraw/zinc/82/28/76/721822876.db2.gz CRJCJNMMRIGPHP-IBGZPJMESA-N 1 2 404.540 1.415 20 0 HDADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N(C)C)nc[nH+]4)CCO3)C2)cs1 ZINC001164918182 721822877 /nfs/dbraw/zinc/82/28/77/721822877.db2.gz CRJCJNMMRIGPHP-IBGZPJMESA-N 1 2 404.540 1.415 20 0 HDADLO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164945840 721969174 /nfs/dbraw/zinc/96/91/74/721969174.db2.gz TUHVOQJAXDSGCU-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164945840 721969177 /nfs/dbraw/zinc/96/91/77/721969177.db2.gz TUHVOQJAXDSGCU-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164947732 721974572 /nfs/dbraw/zinc/97/45/72/721974572.db2.gz RRTHGSWLFIHOIT-MRXNPFEDSA-N 1 2 420.517 1.893 20 0 HDADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164947732 721974574 /nfs/dbraw/zinc/97/45/74/721974574.db2.gz RRTHGSWLFIHOIT-MRXNPFEDSA-N 1 2 420.517 1.893 20 0 HDADLO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164945096 721974971 /nfs/dbraw/zinc/97/49/71/721974971.db2.gz CEKAXCQVMOYFEN-HNNXBMFYSA-N 1 2 406.490 1.503 20 0 HDADLO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164945096 721974972 /nfs/dbraw/zinc/97/49/72/721974972.db2.gz CEKAXCQVMOYFEN-HNNXBMFYSA-N 1 2 406.490 1.503 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974064 722108742 /nfs/dbraw/zinc/10/87/42/722108742.db2.gz IJUHATLHRQVVAU-ROUUACIJSA-N 1 2 402.520 1.607 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974064 722108743 /nfs/dbraw/zinc/10/87/43/722108743.db2.gz IJUHATLHRQVVAU-ROUUACIJSA-N 1 2 402.520 1.607 20 0 HDADLO CS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429042769 1073455899 /nfs/dbraw/zinc/45/58/99/1073455899.db2.gz RHCZNTATHVGFNU-MOPGFXCFSA-N 1 2 409.552 1.496 20 0 HDADLO CS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429042769 1073455906 /nfs/dbraw/zinc/45/59/06/1073455906.db2.gz RHCZNTATHVGFNU-MOPGFXCFSA-N 1 2 409.552 1.496 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H](OCc2ccncc2)C1 ZINC000509087776 1073496466 /nfs/dbraw/zinc/49/64/66/1073496466.db2.gz UDWFGZWWFZHYEZ-HXUWFJFHSA-N 1 2 423.517 1.723 20 0 HDADLO COc1cccc(N2CCC[C@H](NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C2)c1 ZINC000671398329 1073503677 /nfs/dbraw/zinc/50/36/77/1073503677.db2.gz ZICDWMPJAGBLIN-FQEVSTJZSA-N 1 2 422.529 1.912 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1 ZINC000509113659 1073552731 /nfs/dbraw/zinc/55/27/31/1073552731.db2.gz MAMWBWOOKZYFEF-UHFFFAOYSA-N 1 2 406.425 1.651 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004706101 1073555503 /nfs/dbraw/zinc/55/55/03/1073555503.db2.gz TXNIJDDHGWKKBP-XEHMUHMDSA-N 1 2 419.485 1.552 20 0 HDADLO NS(=O)(=O)c1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)s2)cc1 ZINC000429111544 1073598998 /nfs/dbraw/zinc/59/89/98/1073598998.db2.gz GMYINJVYRFSKEA-INIZCTEOSA-N 1 2 406.533 1.947 20 0 HDADLO NS(=O)(=O)c1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)s2)cc1 ZINC000429111544 1073599010 /nfs/dbraw/zinc/59/90/10/1073599010.db2.gz GMYINJVYRFSKEA-INIZCTEOSA-N 1 2 406.533 1.947 20 0 HDADLO O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673659012 1073611113 /nfs/dbraw/zinc/61/11/13/1073611113.db2.gz GJSQUGVADJYWIO-VQIMIIECSA-N 1 2 422.489 1.596 20 0 HDADLO Cc1cccn2cc(CCNC(=O)c3nc4ncc(Br)cn4n3)[nH+]c12 ZINC000673724694 1073656301 /nfs/dbraw/zinc/65/63/01/1073656301.db2.gz OOVFMANOZYPHRI-UHFFFAOYSA-N 1 2 400.240 1.815 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000429116056 1073664796 /nfs/dbraw/zinc/66/47/96/1073664796.db2.gz QLLOBLJBPUECRJ-FQEVSTJZSA-N 1 2 422.551 1.726 20 0 HDADLO CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)ccc21 ZINC000673781952 1073719782 /nfs/dbraw/zinc/71/97/82/1073719782.db2.gz LFHFNIDCEPBHHE-IBGZPJMESA-N 1 2 414.506 1.247 20 0 HDADLO CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673782146 1073719944 /nfs/dbraw/zinc/71/99/44/1073719944.db2.gz AEQVFPQSACNWQA-LPHOPBHVSA-N 1 2 416.522 1.477 20 0 HDADLO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783383 1073721626 /nfs/dbraw/zinc/72/16/26/1073721626.db2.gz UAVISTUTFBHQCS-LJQANCHMSA-N 1 2 416.522 1.093 20 0 HDADLO O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783068 1073722116 /nfs/dbraw/zinc/72/21/16/1073722116.db2.gz FCRWIQNMYIWMJO-CQSZACIVSA-N 1 2 415.412 1.889 20 0 HDADLO CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673784086 1073724849 /nfs/dbraw/zinc/72/48/49/1073724849.db2.gz WGOLBUQNAGMSKZ-SFHVURJKSA-N 1 2 402.495 1.087 20 0 HDADLO CCc1nnc(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)c2)o1 ZINC000673785587 1073727756 /nfs/dbraw/zinc/72/77/56/1073727756.db2.gz ULBHELBPKZIQHG-QGZVFWFLSA-N 1 2 413.478 1.561 20 0 HDADLO CCCC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000673784856 1073730649 /nfs/dbraw/zinc/73/06/49/1073730649.db2.gz LWCWDECDMBRHBD-QGZVFWFLSA-N 1 2 416.522 1.995 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccccc3S(C)(=O)=O)[nH+]c12 ZINC000673786501 1073731072 /nfs/dbraw/zinc/73/10/72/1073731072.db2.gz GENVZCCFZVITHE-UHFFFAOYSA-N 1 2 400.460 1.344 20 0 HDADLO Cc1nnnn1-c1cc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)ccc1F ZINC000673786473 1073731320 /nfs/dbraw/zinc/73/13/20/1073731320.db2.gz FKCUACIYHLRTLU-UHFFFAOYSA-N 1 2 422.424 1.363 20 0 HDADLO CC[C@@H](Sc1nc(CC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cs1)C(N)=O ZINC001128541971 1073742413 /nfs/dbraw/zinc/74/24/13/1073742413.db2.gz ZLTUBTXBVFCFPY-GXTWGEPZSA-N 1 2 400.570 1.221 20 0 HDADLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)C1=O ZINC000766032127 1073753440 /nfs/dbraw/zinc/75/34/40/1073753440.db2.gz OPJQTRLPLJDVTL-YWZLYKJASA-N 1 2 405.499 1.588 20 0 HDADLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)C1=O ZINC000766032127 1073753451 /nfs/dbraw/zinc/75/34/51/1073753451.db2.gz OPJQTRLPLJDVTL-YWZLYKJASA-N 1 2 405.499 1.588 20 0 HDADLO CC(C)c1nc(S(=O)(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c[nH]1 ZINC000673819816 1073764480 /nfs/dbraw/zinc/76/44/80/1073764480.db2.gz ANGJHXPDDZVIAG-UHFFFAOYSA-N 1 2 408.524 1.723 20 0 HDADLO C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCOc2cccc(F)c2)CCO1 ZINC001108089153 1073767782 /nfs/dbraw/zinc/76/77/82/1073767782.db2.gz DVSCWCPCUGMQBZ-HVSHRVNHSA-N 1 2 404.482 1.835 20 0 HDADLO C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCOc2cccc(F)c2)CCO1 ZINC001108089153 1073767786 /nfs/dbraw/zinc/76/77/86/1073767786.db2.gz DVSCWCPCUGMQBZ-HVSHRVNHSA-N 1 2 404.482 1.835 20 0 HDADLO Cn1c2sc(C(=O)N3CC[NH2+][C@H](c4ccc(Cl)cc4)C3)cc2c(=O)n(C)c1=O ZINC001168743034 1073775727 /nfs/dbraw/zinc/77/57/27/1073775727.db2.gz LYSWKDKCASLHME-AWEZNQCLSA-N 1 2 418.906 1.739 20 0 HDADLO Cc1nc(N2CCN(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)CC2)cc[nH+]1 ZINC000429148983 1073785222 /nfs/dbraw/zinc/78/52/22/1073785222.db2.gz JOTSRLLBWZCTRX-UHFFFAOYSA-N 1 2 423.926 1.874 20 0 HDADLO CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168743687 1073790238 /nfs/dbraw/zinc/79/02/38/1073790238.db2.gz QBHSOBNUBOPFDF-INIZCTEOSA-N 1 2 409.914 1.909 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 ZINC000673881088 1073853095 /nfs/dbraw/zinc/85/30/95/1073853095.db2.gz XHZJBTFCFDMOPU-OALUTQOASA-N 1 2 411.506 1.783 20 0 HDADLO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000673905712 1073877946 /nfs/dbraw/zinc/87/79/46/1073877946.db2.gz OAKITABIQMKCRB-HNNXBMFYSA-N 1 2 418.885 1.010 20 0 HDADLO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000673905712 1073877956 /nfs/dbraw/zinc/87/79/56/1073877956.db2.gz OAKITABIQMKCRB-HNNXBMFYSA-N 1 2 418.885 1.010 20 0 HDADLO O=C(C=C1CCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001005039985 1073977200 /nfs/dbraw/zinc/97/72/00/1073977200.db2.gz MUATUXXQNGMYPB-UEDWAMCQSA-N 1 2 403.523 1.225 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccccc2Cn2cncn2)c1C ZINC000543528216 1074013758 /nfs/dbraw/zinc/01/37/58/1074013758.db2.gz LVLAAEUBNHYQDF-UHFFFAOYSA-N 1 2 408.462 1.944 20 0 HDADLO COCCOc1ncccc1NC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000543530017 1074019675 /nfs/dbraw/zinc/01/96/75/1074019675.db2.gz YHULUWSPTUPAQG-UHFFFAOYSA-N 1 2 402.451 1.724 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)s[nH]2)c1 ZINC000543533587 1074032660 /nfs/dbraw/zinc/03/26/60/1074032660.db2.gz HHBFFWMWGKBWFK-ZIAGYGMSSA-N 1 2 417.535 1.811 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)s[nH]2)c1 ZINC000543533587 1074032666 /nfs/dbraw/zinc/03/26/66/1074032666.db2.gz HHBFFWMWGKBWFK-ZIAGYGMSSA-N 1 2 417.535 1.811 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2CN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000429191963 1074041536 /nfs/dbraw/zinc/04/15/36/1074041536.db2.gz GAZAKIKXKAWVRK-GASCZTMLSA-N 1 2 410.540 1.309 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2CN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000429191963 1074041543 /nfs/dbraw/zinc/04/15/43/1074041543.db2.gz GAZAKIKXKAWVRK-GASCZTMLSA-N 1 2 410.540 1.309 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 ZINC000674023780 1074081371 /nfs/dbraw/zinc/08/13/71/1074081371.db2.gz NCEMFTIQWXRDQN-HNNXBMFYSA-N 1 2 404.554 1.215 20 0 HDADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000543554761 1074085172 /nfs/dbraw/zinc/08/51/72/1074085172.db2.gz YCQHDNFZXHJBJC-PGRDOPGGSA-N 1 2 403.523 1.678 20 0 HDADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000543554761 1074085184 /nfs/dbraw/zinc/08/51/84/1074085184.db2.gz YCQHDNFZXHJBJC-PGRDOPGGSA-N 1 2 403.523 1.678 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC ZINC000674025809 1074085565 /nfs/dbraw/zinc/08/55/65/1074085565.db2.gz XYKSMPLCHFCLEW-INIZCTEOSA-N 1 2 418.581 1.523 20 0 HDADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000509207734 1074115195 /nfs/dbraw/zinc/11/51/95/1074115195.db2.gz JVSMWBFZOXVBHB-INIZCTEOSA-N 1 2 417.510 1.106 20 0 HDADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000766055910 1074150875 /nfs/dbraw/zinc/15/08/75/1074150875.db2.gz ZOZVTHHFISKNEH-UHFFFAOYSA-N 1 2 403.533 1.922 20 0 HDADLO COC(=O)C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000766058086 1074160432 /nfs/dbraw/zinc/16/04/32/1074160432.db2.gz CCXLELWHNIFBPE-MRXNPFEDSA-N 1 2 404.916 1.586 20 0 HDADLO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202084 1074216704 /nfs/dbraw/zinc/21/67/04/1074216704.db2.gz LNWPMYTUBCXXCB-KRWDZBQOSA-N 1 2 417.491 1.225 20 0 HDADLO O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674204009 1074218971 /nfs/dbraw/zinc/21/89/71/1074218971.db2.gz QLGCJDFTKDIPHO-MRXNPFEDSA-N 1 2 417.491 1.126 20 0 HDADLO O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674203265 1074219439 /nfs/dbraw/zinc/21/94/39/1074219439.db2.gz KKMXYAUJFZEJTC-MRXNPFEDSA-N 1 2 411.462 1.158 20 0 HDADLO O=C(Nc1cc(F)cc(N2CCOCC2)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674204343 1074220325 /nfs/dbraw/zinc/22/03/25/1074220325.db2.gz SPOMIUJTBRPDMC-KRWDZBQOSA-N 1 2 401.442 1.661 20 0 HDADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1OCC ZINC000674219456 1074238903 /nfs/dbraw/zinc/23/89/03/1074238903.db2.gz OJGTUYCFHKMOKK-UHFFFAOYSA-N 1 2 407.511 1.992 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnccc2SC)CC1 ZINC000674268195 1074249720 /nfs/dbraw/zinc/24/97/20/1074249720.db2.gz MOXDWHWVTHWHFA-UHFFFAOYSA-N 1 2 407.540 1.145 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cnccc2SC)CC1 ZINC000674268195 1074249727 /nfs/dbraw/zinc/24/97/27/1074249727.db2.gz MOXDWHWVTHWHFA-UHFFFAOYSA-N 1 2 407.540 1.145 20 0 HDADLO O=S(=O)(NCc1ccccc1OCC[NH+]1CCOCC1)C1Cc2ccccc2C1 ZINC000674339492 1074284513 /nfs/dbraw/zinc/28/45/13/1074284513.db2.gz CKDDKEPVLIXZRJ-UHFFFAOYSA-N 1 2 416.543 1.984 20 0 HDADLO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001626098800 1074287077 /nfs/dbraw/zinc/28/70/77/1074287077.db2.gz UYAFCSSTBIRQGN-HNNXBMFYSA-N 1 2 419.507 1.213 20 0 HDADLO COc1ccc(C(=O)CCC(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000674360441 1074292683 /nfs/dbraw/zinc/29/26/83/1074292683.db2.gz PQVSGUJHESBESV-KRWDZBQOSA-N 1 2 407.486 1.320 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000674395971 1074309695 /nfs/dbraw/zinc/30/96/95/1074309695.db2.gz IVIXUSMGGURNIY-APWZRJJASA-N 1 2 410.946 1.501 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000674395975 1074309705 /nfs/dbraw/zinc/30/97/05/1074309705.db2.gz IVIXUSMGGURNIY-QFBILLFUSA-N 1 2 410.946 1.501 20 0 HDADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCN3CCCS3(=O)=O)n2)C1 ZINC000674418141 1074318413 /nfs/dbraw/zinc/31/84/13/1074318413.db2.gz RHMPEZLPXIPEMF-AWEZNQCLSA-N 1 2 415.585 1.874 20 0 HDADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCN3CCCS3(=O)=O)n2)C1 ZINC000674418141 1074318416 /nfs/dbraw/zinc/31/84/16/1074318416.db2.gz RHMPEZLPXIPEMF-AWEZNQCLSA-N 1 2 415.585 1.874 20 0 HDADLO CN(CCN1CCCS1(=O)=O)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000674417558 1074318811 /nfs/dbraw/zinc/31/88/11/1074318811.db2.gz HPVJYIHVFKDILC-UHFFFAOYSA-N 1 2 401.558 1.628 20 0 HDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674437932 1074335532 /nfs/dbraw/zinc/33/55/32/1074335532.db2.gz FTHPLPGTUOXYOC-LDBYXDLTSA-N 1 2 414.510 1.190 20 0 HDADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000674466445 1074364749 /nfs/dbraw/zinc/36/47/49/1074364749.db2.gz WIUAKBLXIRQEFH-SJDASUONSA-N 1 2 424.497 1.932 20 0 HDADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000674466445 1074364756 /nfs/dbraw/zinc/36/47/56/1074364756.db2.gz WIUAKBLXIRQEFH-SJDASUONSA-N 1 2 424.497 1.932 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CCN2C1=O ZINC000674468910 1074367516 /nfs/dbraw/zinc/36/75/16/1074367516.db2.gz SVXQQEQFNXFFBE-JKSUJKDBSA-N 1 2 422.432 1.752 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CCN2C1=O ZINC000674468910 1074367519 /nfs/dbraw/zinc/36/75/19/1074367519.db2.gz SVXQQEQFNXFFBE-JKSUJKDBSA-N 1 2 422.432 1.752 20 0 HDADLO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 ZINC000674469560 1074368390 /nfs/dbraw/zinc/36/83/90/1074368390.db2.gz GNYIXSYYKBDQAO-TZNLOLHFSA-N 1 2 403.479 1.436 20 0 HDADLO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 ZINC000674469560 1074368395 /nfs/dbraw/zinc/36/83/95/1074368395.db2.gz GNYIXSYYKBDQAO-TZNLOLHFSA-N 1 2 403.479 1.436 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCCO[C@@H](C)c3ccccc3)CCN2C1=O ZINC000674470554 1074369446 /nfs/dbraw/zinc/36/94/46/1074369446.db2.gz YKVLBBMVZRMVJL-FUHWJXTLSA-N 1 2 402.495 1.239 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCCO[C@@H](C)c3ccccc3)CCN2C1=O ZINC000674470554 1074369455 /nfs/dbraw/zinc/36/94/55/1074369455.db2.gz YKVLBBMVZRMVJL-FUHWJXTLSA-N 1 2 402.495 1.239 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@@H](C)c3cc(OC)c(OC)cc3C)CCN2C1=O ZINC000674501627 1074397860 /nfs/dbraw/zinc/39/78/60/1074397860.db2.gz OEENJHOYOQOOEF-HOCLYGCPSA-N 1 2 418.494 1.158 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@@H](C)c3cc(OC)c(OC)cc3C)CCN2C1=O ZINC000674501627 1074397865 /nfs/dbraw/zinc/39/78/65/1074397865.db2.gz OEENJHOYOQOOEF-HOCLYGCPSA-N 1 2 418.494 1.158 20 0 HDADLO Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001005484482 1074516616 /nfs/dbraw/zinc/51/66/16/1074516616.db2.gz CCIHNJCIEYFQHH-SIFVSHMBSA-N 1 2 400.523 1.664 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 ZINC000674725498 1074541086 /nfs/dbraw/zinc/54/10/86/1074541086.db2.gz HUTKNYPXJUQRND-VGOFRKELSA-N 1 2 424.505 1.724 20 0 HDADLO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000674785675 1074564786 /nfs/dbraw/zinc/56/47/86/1074564786.db2.gz HJJLWYWTSRNJOC-AEFFLSMTSA-N 1 2 412.527 1.949 20 0 HDADLO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000674785675 1074564791 /nfs/dbraw/zinc/56/47/91/1074564791.db2.gz HJJLWYWTSRNJOC-AEFFLSMTSA-N 1 2 412.527 1.949 20 0 HDADLO O=C(Nc1cccn(Cc2ccccc2)c1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674886331 1074603888 /nfs/dbraw/zinc/60/38/88/1074603888.db2.gz OYVNKGVEARMELU-IBGZPJMESA-N 1 2 424.501 1.158 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCO[C@@H]([C@H]4CCCO4)C3)CC2)cc1 ZINC000674911492 1074616759 /nfs/dbraw/zinc/61/67/59/1074616759.db2.gz GHOTVAPRWMBCRQ-NHCUHLMSSA-N 1 2 403.523 1.219 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCO[C@H]([C@@H]4CCCO4)C3)CC2)cc1 ZINC000674911494 1074616829 /nfs/dbraw/zinc/61/68/29/1074616829.db2.gz GHOTVAPRWMBCRQ-SFTDATJTSA-N 1 2 403.523 1.219 20 0 HDADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC001128898332 1074647914 /nfs/dbraw/zinc/64/79/14/1074647914.db2.gz GFQZGGSUWPNJIJ-OCCSQVGLSA-N 1 2 421.299 1.360 20 0 HDADLO O=C(COc1ccc(Br)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518245235 1074659901 /nfs/dbraw/zinc/65/99/01/1074659901.db2.gz VKFRCKRSINQTMO-UHFFFAOYSA-N 1 2 409.284 1.995 20 0 HDADLO O=C(COc1ccc(Cl)c2cccnc12)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596034689 1074660458 /nfs/dbraw/zinc/66/04/58/1074660458.db2.gz WEDAYMFTDWMDHG-UHFFFAOYSA-N 1 2 415.881 2.434 20 0 HDADLO C[C@@H](C(=O)NCc1ccc2c(c1)C(=O)NCC2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000543612933 1074709451 /nfs/dbraw/zinc/70/94/51/1074709451.db2.gz LURPPMPQLJORNC-INIZCTEOSA-N 1 2 410.493 1.939 20 0 HDADLO CCC1(CC)CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCS1(=O)=O ZINC000429320560 1074736483 /nfs/dbraw/zinc/73/64/83/1074736483.db2.gz BYEHXOMGUQPIQE-UHFFFAOYSA-N 1 2 413.544 1.036 20 0 HDADLO C[C@H]1CN(CCNc2nc3ncccc3nc2NCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000675151005 1074737657 /nfs/dbraw/zinc/73/76/57/1074737657.db2.gz YHGSTHMBGXSFFK-IRXDYDNUSA-N 1 2 415.542 1.290 20 0 HDADLO C[C@H]1CN(CCNc2nc3ncccc3nc2NCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000675151005 1074737662 /nfs/dbraw/zinc/73/76/62/1074737662.db2.gz YHGSTHMBGXSFFK-IRXDYDNUSA-N 1 2 415.542 1.290 20 0 HDADLO COC(=O)C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCCC1 ZINC000438333846 1074739172 /nfs/dbraw/zinc/73/91/72/1074739172.db2.gz XEJMQIHYCFDKAV-QGZVFWFLSA-N 1 2 407.515 1.849 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)Nc1nc2cccnc2nc1N[C@@H](C)CN1CCOCC1 ZINC000675143051 1074741615 /nfs/dbraw/zinc/74/16/15/1074741615.db2.gz MZKRVYZSUQKWKC-SJORKVTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccncc1 ZINC000675217291 1074759703 /nfs/dbraw/zinc/75/97/03/1074759703.db2.gz LLPFKJHLCYMYBD-IEBWSBKVSA-N 1 2 410.522 1.987 20 0 HDADLO C[C@H](CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccncc1 ZINC000675217291 1074759710 /nfs/dbraw/zinc/75/97/10/1074759710.db2.gz LLPFKJHLCYMYBD-IEBWSBKVSA-N 1 2 410.522 1.987 20 0 HDADLO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219105 1074759813 /nfs/dbraw/zinc/75/98/13/1074759813.db2.gz YVOPYUKLGSGORE-LSDHHAIUSA-N 1 2 422.323 1.735 20 0 HDADLO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218605 1074761124 /nfs/dbraw/zinc/76/11/24/1074761124.db2.gz POSWBYWFSZIRKM-SJORKVTESA-N 1 2 409.939 1.788 20 0 HDADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[NH+]([C@H]3CCOC3)CC1)C2=O ZINC000675219765 1074762013 /nfs/dbraw/zinc/76/20/13/1074762013.db2.gz MXEDGZFZNZKMKK-VWKPWSFCSA-N 1 2 406.527 1.056 20 0 HDADLO C[C@@H](CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccncc1 ZINC000675214609 1074765638 /nfs/dbraw/zinc/76/56/38/1074765638.db2.gz JAFPTIFWLKQWIY-KRWDZBQOSA-N 1 2 417.535 1.238 20 0 HDADLO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000675267621 1074776967 /nfs/dbraw/zinc/77/69/67/1074776967.db2.gz WBIVNURHGFIXSI-KXBFYZLASA-N 1 2 410.478 1.927 20 0 HDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675269263 1074777804 /nfs/dbraw/zinc/77/78/04/1074777804.db2.gz MRHUGZHQFBBXIL-CRAIPNDOSA-N 1 2 405.524 1.725 20 0 HDADLO CCOc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000675282095 1074786019 /nfs/dbraw/zinc/78/60/19/1074786019.db2.gz ZZVHDYBEKPUAAE-UYAOXDASSA-N 1 2 403.523 1.773 20 0 HDADLO COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000429329548 1074796038 /nfs/dbraw/zinc/79/60/38/1074796038.db2.gz AQJHAVXIAWTODL-UHFFFAOYSA-N 1 2 405.499 1.328 20 0 HDADLO O=C(CN1C[C@H](CO)Oc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000675307906 1074796591 /nfs/dbraw/zinc/79/65/91/1074796591.db2.gz XRDCOMDRIIDRPN-HXUWFJFHSA-N 1 2 423.513 1.526 20 0 HDADLO CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000016103519 1074796952 /nfs/dbraw/zinc/79/69/52/1074796952.db2.gz ZBCRQTNKZCOVPD-UHFFFAOYSA-N 1 2 417.535 1.779 20 0 HDADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468919587 1074810484 /nfs/dbraw/zinc/81/04/84/1074810484.db2.gz HSNADOSPOAMTEG-UHFFFAOYSA-N 1 2 415.457 1.961 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000766105952 1074811959 /nfs/dbraw/zinc/81/19/59/1074811959.db2.gz WWCDTPZRRAMWII-HXUWFJFHSA-N 1 2 418.515 1.881 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000766105952 1074811965 /nfs/dbraw/zinc/81/19/65/1074811965.db2.gz WWCDTPZRRAMWII-HXUWFJFHSA-N 1 2 418.515 1.881 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766108924 1074815124 /nfs/dbraw/zinc/81/51/24/1074815124.db2.gz OWCJZTZEXUDMBJ-MJGOQNOKSA-N 1 2 406.490 1.584 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766108924 1074815130 /nfs/dbraw/zinc/81/51/30/1074815130.db2.gz OWCJZTZEXUDMBJ-MJGOQNOKSA-N 1 2 406.490 1.584 20 0 HDADLO CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000142966944 1074817013 /nfs/dbraw/zinc/81/70/13/1074817013.db2.gz FPMXDZHYOBAWDO-UHFFFAOYSA-N 1 2 417.531 1.998 20 0 HDADLO O=C(NCc1csc2ccccc12)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448477830 1074822171 /nfs/dbraw/zinc/82/21/71/1074822171.db2.gz KOSRUYZUFGBCEB-UHFFFAOYSA-N 1 2 413.503 1.685 20 0 HDADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC2(CC1)OCc1ccccc12 ZINC000675400254 1075131371 /nfs/dbraw/zinc/13/13/71/1075131371.db2.gz NFCPLLFSTKEODB-IBGZPJMESA-N 1 2 413.518 1.215 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](n2ccnn2)C1 ZINC001129004087 1075159341 /nfs/dbraw/zinc/15/93/41/1075159341.db2.gz LNYUWKWKGNSUDF-ZRSRNVLSSA-N 1 2 400.527 1.090 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](n2ccnn2)C1 ZINC001129004087 1075159344 /nfs/dbraw/zinc/15/93/44/1075159344.db2.gz LNYUWKWKGNSUDF-ZRSRNVLSSA-N 1 2 400.527 1.090 20 0 HDADLO COCCN(C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000542592868 1075164429 /nfs/dbraw/zinc/16/44/29/1075164429.db2.gz JKPKRWQKBHTBOB-GOSISDBHSA-N 1 2 418.519 1.673 20 0 HDADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000429255507 1075168252 /nfs/dbraw/zinc/16/82/52/1075168252.db2.gz TYKIXAJQCVLGBD-MRXNPFEDSA-N 1 2 414.481 1.517 20 0 HDADLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000429255507 1075168257 /nfs/dbraw/zinc/16/82/57/1075168257.db2.gz TYKIXAJQCVLGBD-MRXNPFEDSA-N 1 2 414.481 1.517 20 0 HDADLO CN(C)C(=O)CN1CC[NH+](Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000675489381 1075174286 /nfs/dbraw/zinc/17/42/86/1075174286.db2.gz SKUQZYVLAZCDKD-UHFFFAOYSA-N 1 2 413.522 1.454 20 0 HDADLO CCNC(=O)N1CC[C@H](NC(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1 ZINC000675499250 1075180105 /nfs/dbraw/zinc/18/01/05/1075180105.db2.gz QVIDPUSATDFIRT-SFHVURJKSA-N 1 2 403.527 1.635 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)NC1(c2ccccc2)CCCC1 ZINC000580382936 1075185037 /nfs/dbraw/zinc/18/50/37/1075185037.db2.gz LHLDAOFPSJOFSK-UHFFFAOYSA-N 1 2 411.506 1.740 20 0 HDADLO CN(C)C(=O)CCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675511203 1075189820 /nfs/dbraw/zinc/18/98/20/1075189820.db2.gz QGGQTQLGJPYZKI-CQSZACIVSA-N 1 2 404.338 1.829 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(N2CCCC2=O)ccc1F ZINC000525575755 1075190681 /nfs/dbraw/zinc/19/06/81/1075190681.db2.gz RILSIXVTBQSJKG-UHFFFAOYSA-N 1 2 401.442 1.734 20 0 HDADLO CCN(CCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)S(C)(=O)=O ZINC000541694244 1075212803 /nfs/dbraw/zinc/21/28/03/1075212803.db2.gz ORCOXCYOWASLRO-UHFFFAOYSA-N 1 2 405.524 1.799 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000675608097 1075224489 /nfs/dbraw/zinc/22/44/89/1075224489.db2.gz RRRNSBDKCPRWQF-UHFFFAOYSA-N 1 2 423.477 1.037 20 0 HDADLO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000466689463 1075225437 /nfs/dbraw/zinc/22/54/37/1075225437.db2.gz FMQRMAWDRGFFRK-WBVHZDCISA-N 1 2 415.515 1.808 20 0 HDADLO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000466689463 1075225443 /nfs/dbraw/zinc/22/54/43/1075225443.db2.gz FMQRMAWDRGFFRK-WBVHZDCISA-N 1 2 415.515 1.808 20 0 HDADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000426692519 1075225676 /nfs/dbraw/zinc/22/56/76/1075225676.db2.gz SRYSOULLAIZHDW-CYBMUJFWSA-N 1 2 400.414 1.670 20 0 HDADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000509361313 1075251483 /nfs/dbraw/zinc/25/14/83/1075251483.db2.gz UQERXWWSGTXKGE-MELADBBJSA-N 1 2 401.554 1.418 20 0 HDADLO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000675698644 1075260108 /nfs/dbraw/zinc/26/01/08/1075260108.db2.gz IMQATKUVUUHASS-UHFFFAOYSA-N 1 2 404.474 1.955 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cnn(Cc2ccccn2)c1 ZINC000675775994 1075269441 /nfs/dbraw/zinc/26/94/41/1075269441.db2.gz NMMVYTAACNBEIK-UHFFFAOYSA-N 1 2 419.489 1.789 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1OCCc2ccccc21 ZINC000675795395 1075270042 /nfs/dbraw/zinc/27/00/42/1075270042.db2.gz PHRLIBJXOHUFJD-FQEVSTJZSA-N 1 2 408.502 1.941 20 0 HDADLO COC(=O)c1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nc1 ZINC000509370293 1075271506 /nfs/dbraw/zinc/27/15/06/1075271506.db2.gz FZQRTYFMMBFATR-UHFFFAOYSA-N 1 2 407.467 1.950 20 0 HDADLO C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C(F)(F)F)O1 ZINC000675815115 1075276110 /nfs/dbraw/zinc/27/61/10/1075276110.db2.gz NVQZOJNFAITTBF-LSDHHAIUSA-N 1 2 414.428 1.689 20 0 HDADLO CC(C)(C)O[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1n1cccn1 ZINC001129088992 1075284823 /nfs/dbraw/zinc/28/48/23/1075284823.db2.gz KHSYWVVJKMAARV-UJWQCDCRSA-N 1 2 406.527 1.376 20 0 HDADLO Cc1nsc(N2CCCN(C(=O)C3CC[NH+](Cc4nccn4C)CC3)CC2)n1 ZINC000543648617 1075287942 /nfs/dbraw/zinc/28/79/42/1075287942.db2.gz WUWDJOCWOGADIO-UHFFFAOYSA-N 1 2 403.556 1.531 20 0 HDADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429385817 1075292914 /nfs/dbraw/zinc/29/29/14/1075292914.db2.gz IPNDFASIOXOTKK-HUUCEWRRSA-N 1 2 402.944 1.932 20 0 HDADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429385817 1075292919 /nfs/dbraw/zinc/29/29/19/1075292919.db2.gz IPNDFASIOXOTKK-HUUCEWRRSA-N 1 2 402.944 1.932 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H]([NH+]2CCC(C(=O)N3CCOCC3)CC2)C1=O ZINC000466706537 1075296698 /nfs/dbraw/zinc/29/66/98/1075296698.db2.gz QLBOWRKGPAFUKQ-INIZCTEOSA-N 1 2 421.519 1.211 20 0 HDADLO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000429383002 1075297960 /nfs/dbraw/zinc/29/79/60/1075297960.db2.gz DGVSPLVKDFLLIN-QZTJIDSGSA-N 1 2 406.914 1.952 20 0 HDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429385285 1075302735 /nfs/dbraw/zinc/30/27/35/1075302735.db2.gz KNHAORQGVQYRLG-DZGCQCFKSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429385285 1075302738 /nfs/dbraw/zinc/30/27/38/1075302738.db2.gz KNHAORQGVQYRLG-DZGCQCFKSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429385288 1075303024 /nfs/dbraw/zinc/30/30/24/1075303024.db2.gz KNHAORQGVQYRLG-HIFRSBDPSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000429385288 1075303030 /nfs/dbraw/zinc/30/30/30/1075303030.db2.gz KNHAORQGVQYRLG-HIFRSBDPSA-N 1 2 414.428 1.831 20 0 HDADLO O=C(CN1C(=S)N=NC1c1cccs1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731353632 1075317091 /nfs/dbraw/zinc/31/70/91/1075317091.db2.gz VUZMLBYDKGSNSY-UHFFFAOYSA-N 1 2 419.536 1.463 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cccc(N2CCOC2=O)c1 ZINC000731358488 1075320625 /nfs/dbraw/zinc/32/06/25/1075320625.db2.gz WXQDEWYREHTBRI-UHFFFAOYSA-N 1 2 400.439 1.816 20 0 HDADLO CCOC(=O)c1cn(C)nc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000544259860 1075320731 /nfs/dbraw/zinc/32/07/31/1075320731.db2.gz RBTSPQZQHMBJGF-MRXNPFEDSA-N 1 2 401.467 1.619 20 0 HDADLO CCOC(=O)c1cn(C)nc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000544259860 1075320735 /nfs/dbraw/zinc/32/07/35/1075320735.db2.gz RBTSPQZQHMBJGF-MRXNPFEDSA-N 1 2 401.467 1.619 20 0 HDADLO CCOC(=O)c1cn(C)nc1NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000544257491 1075322079 /nfs/dbraw/zinc/32/20/79/1075322079.db2.gz LYCROCZCHUMUNH-QGZVFWFLSA-N 1 2 415.494 1.662 20 0 HDADLO COc1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc(OC)c1OC ZINC000469699871 1075325482 /nfs/dbraw/zinc/32/54/82/1075325482.db2.gz JDIJSKISGHSMPR-UHFFFAOYSA-N 1 2 405.455 1.885 20 0 HDADLO COc1cc(NC(C)=O)ccc1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000470392371 1075328051 /nfs/dbraw/zinc/32/80/51/1075328051.db2.gz FXFCFOQOFGPLAN-UHFFFAOYSA-N 1 2 402.455 1.826 20 0 HDADLO Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448491875 1075333059 /nfs/dbraw/zinc/33/30/59/1075333059.db2.gz JLZYWRHKOIUPAV-IBGZPJMESA-N 1 2 411.506 1.826 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000804076361 1075337585 /nfs/dbraw/zinc/33/75/85/1075337585.db2.gz GGXBALGFIWTTIS-ZWKOTPCHSA-N 1 2 402.882 1.792 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000804076361 1075337588 /nfs/dbraw/zinc/33/75/88/1075337588.db2.gz GGXBALGFIWTTIS-ZWKOTPCHSA-N 1 2 402.882 1.792 20 0 HDADLO Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438330097 1075342490 /nfs/dbraw/zinc/34/24/90/1075342490.db2.gz XXLYVECVOMOLDZ-GOSISDBHSA-N 1 2 401.511 2.421 20 0 HDADLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C(=O)NCCO)nn2)CC1 ZINC000676077086 1075344275 /nfs/dbraw/zinc/34/42/75/1075344275.db2.gz MUNQZEGANIMLMY-AWEZNQCLSA-N 1 2 412.519 1.692 20 0 HDADLO O=C(Nc1ccn(-c2ccccc2Cl)n1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676092546 1075351753 /nfs/dbraw/zinc/35/17/53/1075351753.db2.gz HYGWJPWOGJXOLN-OAHLLOKOSA-N 1 2 417.897 1.787 20 0 HDADLO COc1ccc(C(=O)CCCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000596165214 1075355382 /nfs/dbraw/zinc/35/53/82/1075355382.db2.gz HTOJSEVHCHXMJX-UHFFFAOYSA-N 1 2 400.479 2.216 20 0 HDADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 ZINC000606021898 1075359951 /nfs/dbraw/zinc/35/99/51/1075359951.db2.gz HZHCKONLJZZKRR-UHFFFAOYSA-N 1 2 418.501 1.918 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000466712952 1075361244 /nfs/dbraw/zinc/36/12/44/1075361244.db2.gz JVYUIALCZUKLGX-JTQLQIEISA-N 1 2 408.243 1.884 20 0 HDADLO Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000446796494 1075366917 /nfs/dbraw/zinc/36/69/17/1075366917.db2.gz ZHETUVQMDDYXLW-HXUWFJFHSA-N 1 2 411.506 1.730 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccn(CC(=O)OC)n3)CC2)cc1 ZINC000438343930 1075368704 /nfs/dbraw/zinc/36/87/04/1075368704.db2.gz VFGKLNYGGOHOOE-UHFFFAOYSA-N 1 2 401.467 1.805 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000804087675 1075377583 /nfs/dbraw/zinc/37/75/83/1075377583.db2.gz IJHBFJZDAJXTMV-HOTGVXAUSA-N 1 2 419.526 1.999 20 0 HDADLO Cc1cccc(C)c1OCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001035452834 1075377800 /nfs/dbraw/zinc/37/78/00/1075377800.db2.gz UFFOPDDBQVGMAL-YENHRIDLSA-N 1 2 400.519 1.923 20 0 HDADLO Cc1cccc(C)c1OCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001035452834 1075377808 /nfs/dbraw/zinc/37/78/08/1075377808.db2.gz UFFOPDDBQVGMAL-YENHRIDLSA-N 1 2 400.519 1.923 20 0 HDADLO COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)C2)c1 ZINC000804118026 1075413841 /nfs/dbraw/zinc/41/38/41/1075413841.db2.gz IUZLNEHVSPHDLP-IRXDYDNUSA-N 1 2 411.506 1.530 20 0 HDADLO COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)C2)c1 ZINC000804118024 1075414043 /nfs/dbraw/zinc/41/40/43/1075414043.db2.gz IUZLNEHVSPHDLP-DLBZAZTESA-N 1 2 411.506 1.530 20 0 HDADLO CCn1cc(Br)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648452 1075426277 /nfs/dbraw/zinc/42/62/77/1075426277.db2.gz FVFYSCPHEUNZPW-UHFFFAOYSA-N 1 2 406.346 1.509 20 0 HDADLO COCCn1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2ccccc21 ZINC000731648389 1075426746 /nfs/dbraw/zinc/42/67/46/1075426746.db2.gz NGOYXJLIPUPDNM-UHFFFAOYSA-N 1 2 407.536 1.527 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000731647877 1075427384 /nfs/dbraw/zinc/42/73/84/1075427384.db2.gz BNJUDUOSYIBQRC-UHFFFAOYSA-N 1 2 421.588 1.902 20 0 HDADLO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648674 1075430335 /nfs/dbraw/zinc/43/03/35/1075430335.db2.gz RHTXPOAPYYPVOZ-MRXNPFEDSA-N 1 2 415.581 1.128 20 0 HDADLO CC1CCC(N2C[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2=O)CC1 ZINC000731650311 1075430957 /nfs/dbraw/zinc/43/09/57/1075430957.db2.gz BHFBYNRNILVLMZ-PQUAAJSLSA-N 1 2 413.584 1.039 20 0 HDADLO CCc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccc(F)cc1 ZINC000731649712 1075433567 /nfs/dbraw/zinc/43/35/67/1075433567.db2.gz XEOKLJOPAAVXOM-UHFFFAOYSA-N 1 2 422.526 1.813 20 0 HDADLO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731651091 1075434537 /nfs/dbraw/zinc/43/45/37/1075434537.db2.gz XFCYUXUBOVRXJV-LJQANCHMSA-N 1 2 419.588 1.695 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000731650968 1075434913 /nfs/dbraw/zinc/43/49/13/1075434913.db2.gz NTCIRFRBJOMMQF-UHFFFAOYSA-N 1 2 419.341 1.453 20 0 HDADLO CC(C)COC(=O)N1CCC(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731650575 1075435696 /nfs/dbraw/zinc/43/56/96/1075435696.db2.gz UUJMYDUQNUQMCG-UHFFFAOYSA-N 1 2 417.572 1.116 20 0 HDADLO CCc1oc2ccccc2c1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509390517 1075437951 /nfs/dbraw/zinc/43/79/51/1075437951.db2.gz WUGTWIDKZVBWOE-UHFFFAOYSA-N 1 2 406.552 1.605 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000731686014 1075447925 /nfs/dbraw/zinc/44/79/25/1075447925.db2.gz IMGRMMZZJWLVQI-AWEZNQCLSA-N 1 2 415.478 1.248 20 0 HDADLO Cc1cccc(N2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)c1 ZINC000731686591 1075448899 /nfs/dbraw/zinc/44/88/99/1075448899.db2.gz DUZMIZWFEMHGDE-UHFFFAOYSA-N 1 2 408.568 1.336 20 0 HDADLO Cc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n(-c2ccccn2)n1 ZINC000731678580 1075461324 /nfs/dbraw/zinc/46/13/24/1075461324.db2.gz QVGDIKHKXUGJQT-UHFFFAOYSA-N 1 2 406.512 1.206 20 0 HDADLO COc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1F ZINC000731679935 1075462785 /nfs/dbraw/zinc/46/27/85/1075462785.db2.gz ZVAATBXEIUNKRB-CYBMUJFWSA-N 1 2 401.504 1.704 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2Br)CC1 ZINC000731681429 1075463359 /nfs/dbraw/zinc/46/33/59/1075463359.db2.gz GAAXBALCRNDIDF-UHFFFAOYSA-N 1 2 418.357 1.757 20 0 HDADLO COc1ccccc1C(C)(C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731681379 1075463643 /nfs/dbraw/zinc/46/36/43/1075463643.db2.gz CXDUBRRGYRQXIO-UHFFFAOYSA-N 1 2 411.568 1.781 20 0 HDADLO Cc1[nH]c2ccccc2c1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731682522 1075464764 /nfs/dbraw/zinc/46/47/64/1075464764.db2.gz ADPCWWFBNHUOQO-UHFFFAOYSA-N 1 2 406.552 1.827 20 0 HDADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc2c(c1)CC(=O)N2 ZINC000731682124 1075465080 /nfs/dbraw/zinc/46/50/80/1075465080.db2.gz MNBZLJDFKCOCNY-ZDUSSCGKSA-N 1 2 408.524 1.050 20 0 HDADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc2c(c1)CC(=O)N2 ZINC000731682123 1075465087 /nfs/dbraw/zinc/46/50/87/1075465087.db2.gz MNBZLJDFKCOCNY-CYBMUJFWSA-N 1 2 408.524 1.050 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000731683858 1075468365 /nfs/dbraw/zinc/46/83/65/1075468365.db2.gz KGEHQCGKGMIXJT-ICSRJNTNSA-N 1 2 423.579 1.963 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCOc2ccc(F)c(F)c2)CC1 ZINC000731684881 1075469558 /nfs/dbraw/zinc/46/95/58/1075469558.db2.gz MEMODNCHXPTCQW-UHFFFAOYSA-N 1 2 405.467 1.152 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](CO)[C@@H](C)c1ccccc1 ZINC000676274558 1075475262 /nfs/dbraw/zinc/47/52/62/1075475262.db2.gz HSEZQNUNTXKAIC-HNAYVOBHSA-N 1 2 412.490 1.446 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000509403931 1075503731 /nfs/dbraw/zinc/50/37/31/1075503731.db2.gz DPUDDALLRYXOCZ-UTKZUKDTSA-N 1 2 411.502 1.738 20 0 HDADLO O=C(NCc1ccc(F)cc1)c1nnc(CN2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000676317192 1075505765 /nfs/dbraw/zinc/50/57/65/1075505765.db2.gz ZFTYAMWIVIMALO-INIZCTEOSA-N 1 2 405.499 1.514 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2Cl)OCCO3)CC1 ZINC000731751934 1075509010 /nfs/dbraw/zinc/50/90/10/1075509010.db2.gz JXGZMCOEAAWEKS-UHFFFAOYSA-N 1 2 417.915 1.742 20 0 HDADLO CC(=O)N1CCc2cc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)ccc21 ZINC000731751680 1075509067 /nfs/dbraw/zinc/50/90/67/1075509067.db2.gz ZHQSLBJJXHPJCX-UHFFFAOYSA-N 1 2 408.524 1.226 20 0 HDADLO CCc1[nH]nc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1Br ZINC000579415561 1075509752 /nfs/dbraw/zinc/50/97/52/1075509752.db2.gz OCVSFELFMCILBS-GFCCVEGCSA-N 1 2 411.304 2.170 20 0 HDADLO CCc1[nH]nc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1Br ZINC000579415561 1075509758 /nfs/dbraw/zinc/50/97/58/1075509758.db2.gz OCVSFELFMCILBS-GFCCVEGCSA-N 1 2 411.304 2.170 20 0 HDADLO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731752649 1075510101 /nfs/dbraw/zinc/51/01/01/1075510101.db2.gz MLQSTORGNGKKEA-UHFFFAOYSA-N 1 2 422.551 1.518 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 ZINC000731753642 1075510220 /nfs/dbraw/zinc/51/02/20/1075510220.db2.gz NOCNOJDGLYDPJY-UHFFFAOYSA-N 1 2 409.487 1.642 20 0 HDADLO Cc1nc(-c2ccccc2NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)no1 ZINC000731753842 1075510948 /nfs/dbraw/zinc/51/09/48/1075510948.db2.gz UBAVGTZSGUAUHA-UHFFFAOYSA-N 1 2 407.496 1.676 20 0 HDADLO CC(=O)Nc1ccc(Cl)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731754045 1075510965 /nfs/dbraw/zinc/51/09/65/1075510965.db2.gz IQHKFABEWAHFRS-UHFFFAOYSA-N 1 2 416.931 1.929 20 0 HDADLO COc1ccc2cc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)ccc2n1 ZINC000731754695 1075511913 /nfs/dbraw/zinc/51/19/13/1075511913.db2.gz ZXJCQJLHOGKSNT-UHFFFAOYSA-N 1 2 406.508 1.874 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000731758087 1075513602 /nfs/dbraw/zinc/51/36/02/1075513602.db2.gz GPBBZJAHADVODK-OALUTQOASA-N 1 2 409.552 1.715 20 0 HDADLO O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340441 1075514387 /nfs/dbraw/zinc/51/43/87/1075514387.db2.gz FQDPIDOTNBYYQK-INIZCTEOSA-N 1 2 416.503 1.577 20 0 HDADLO O=S1(=O)CC[C@H](SCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000731804572 1075521847 /nfs/dbraw/zinc/52/18/47/1075521847.db2.gz XFWKQEVZVJVSKP-INIZCTEOSA-N 1 2 409.533 1.989 20 0 HDADLO Cc1nc(N[C@@H]2CCO[C@]3(CCOC3)C2)nc(N[C@H]2CCO[C@@]3(CCOC3)C2)[nH+]1 ZINC000480450612 1075524922 /nfs/dbraw/zinc/52/49/22/1075524922.db2.gz VFBSKYOXSSLHRA-NFQUHZNNSA-N 1 2 405.499 1.680 20 0 HDADLO Cc1nc(N[C@H]2CCO[C@@]3(CCOC3)C2)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)[nH+]1 ZINC000480450612 1075524928 /nfs/dbraw/zinc/52/49/28/1075524928.db2.gz VFBSKYOXSSLHRA-NFQUHZNNSA-N 1 2 405.499 1.680 20 0 HDADLO CCOC(=O)N1CCC(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000731850679 1075532202 /nfs/dbraw/zinc/53/22/02/1075532202.db2.gz JEHKNRIEXFBZFI-UHFFFAOYSA-N 1 2 417.572 1.562 20 0 HDADLO NC(=O)[C@@H]1CC(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)=NN1c1ccccc1 ZINC000731840428 1075545685 /nfs/dbraw/zinc/54/56/85/1075545685.db2.gz AFFQDKYQWGNAPP-FQEVSTJZSA-N 1 2 407.474 1.578 20 0 HDADLO COc1ccc(C2(CNC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CCC2)cc1 ZINC000676424664 1075546450 /nfs/dbraw/zinc/54/64/50/1075546450.db2.gz SYCLLMKKICMRCJ-FQEVSTJZSA-N 1 2 415.534 1.556 20 0 HDADLO c1nn(-c2ccccc2)nc1Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000731842160 1075547042 /nfs/dbraw/zinc/54/70/42/1075547042.db2.gz RSULEILQMFRUIW-HXUWFJFHSA-N 1 2 402.462 1.876 20 0 HDADLO c1nn(-c2ccccc2)nc1Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000731842160 1075547046 /nfs/dbraw/zinc/54/70/46/1075547046.db2.gz RSULEILQMFRUIW-HXUWFJFHSA-N 1 2 402.462 1.876 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000509413930 1075553443 /nfs/dbraw/zinc/55/34/43/1075553443.db2.gz DPUDDALLRYXOCZ-DYESRHJHSA-N 1 2 411.502 1.738 20 0 HDADLO Cn1cc(Br)c(C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)cc1=O ZINC001129215404 1075561934 /nfs/dbraw/zinc/56/19/34/1075561934.db2.gz DYKQAOGPHZIYDU-UHFFFAOYSA-N 1 2 416.235 1.685 20 0 HDADLO CON(C)C(=O)c1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000731897883 1075562131 /nfs/dbraw/zinc/56/21/31/1075562131.db2.gz ULOITJKDKIVREO-IBGZPJMESA-N 1 2 408.524 1.649 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000676488604 1075568375 /nfs/dbraw/zinc/56/83/75/1075568375.db2.gz HIZPGYYEVPGXRH-HOJAQTOUSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000676488604 1075568380 /nfs/dbraw/zinc/56/83/80/1075568380.db2.gz HIZPGYYEVPGXRH-HOJAQTOUSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000676488604 1075568384 /nfs/dbraw/zinc/56/83/84/1075568384.db2.gz HIZPGYYEVPGXRH-HOJAQTOUSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000676488604 1075568388 /nfs/dbraw/zinc/56/83/88/1075568388.db2.gz HIZPGYYEVPGXRH-HOJAQTOUSA-N 1 2 411.502 1.961 20 0 HDADLO COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@@H](CO)C3)[nH+]cn1)C[C@H]2O ZINC000731919804 1075571567 /nfs/dbraw/zinc/57/15/67/1075571567.db2.gz AAFWSJLKYFRLHG-GDBMZVCRSA-N 1 2 400.479 1.756 20 0 HDADLO COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@@H](CO)C3)nc[nH+]1)C[C@H]2O ZINC000731919804 1075571572 /nfs/dbraw/zinc/57/15/72/1075571572.db2.gz AAFWSJLKYFRLHG-GDBMZVCRSA-N 1 2 400.479 1.756 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccc(-n4cccn4)cc3)c[nH+]2)CC1 ZINC000676495715 1075573564 /nfs/dbraw/zinc/57/35/64/1075573564.db2.gz RBEJPPYBJJFNEF-UHFFFAOYSA-N 1 2 412.519 1.961 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)c1 ZINC000731966881 1075579007 /nfs/dbraw/zinc/57/90/07/1075579007.db2.gz SDELFSYDJACUQY-DPVXCJKMSA-N 1 2 408.502 1.953 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000676551084 1075584203 /nfs/dbraw/zinc/58/42/03/1075584203.db2.gz JAXUYJIFVPHSRW-LJQANCHMSA-N 1 2 411.506 1.811 20 0 HDADLO Cn1ncnc1COc1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000676559377 1075589920 /nfs/dbraw/zinc/58/99/20/1075589920.db2.gz IPMHMQHQAFAABL-UHFFFAOYSA-N 1 2 411.447 1.776 20 0 HDADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3cnn(Cc4ccccn4)c3)CC2)c1 ZINC000676545811 1075591710 /nfs/dbraw/zinc/59/17/10/1075591710.db2.gz FHCWUHZILYGYMX-UHFFFAOYSA-N 1 2 418.501 1.918 20 0 HDADLO CC(C)(CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000676548090 1075594728 /nfs/dbraw/zinc/59/47/28/1075594728.db2.gz GEIWRZYWWBUUOS-UHFFFAOYSA-N 1 2 413.522 1.638 20 0 HDADLO Cc1nnc(-c2cccc(NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)c2)n1C ZINC000676547929 1075594759 /nfs/dbraw/zinc/59/47/59/1075594759.db2.gz RPJXIXRVIGVFSB-UHFFFAOYSA-N 1 2 404.474 1.861 20 0 HDADLO CCC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccn1 ZINC000676549124 1075595973 /nfs/dbraw/zinc/59/59/73/1075595973.db2.gz BWSKGEOGNCUSFC-GOSISDBHSA-N 1 2 400.483 1.206 20 0 HDADLO COC(=O)[C@H](Cc1cccc(S(C)(=O)=O)c1)[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168762864 1075600878 /nfs/dbraw/zinc/60/08/78/1075600878.db2.gz YRBZBUMLHDWZJQ-CMVHYPBASA-N 1 2 411.520 1.886 20 0 HDADLO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804171182 1075601899 /nfs/dbraw/zinc/60/18/99/1075601899.db2.gz DVFIAAWSCLYSSO-KWCYVHTRSA-N 1 2 407.471 1.633 20 0 HDADLO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804171182 1075601901 /nfs/dbraw/zinc/60/19/01/1075601901.db2.gz DVFIAAWSCLYSSO-KWCYVHTRSA-N 1 2 407.471 1.633 20 0 HDADLO O=C(Nc1ccc2c(cnn2C(F)F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676615767 1075617223 /nfs/dbraw/zinc/61/72/23/1075617223.db2.gz DDHPMOITCOPHHJ-HNNXBMFYSA-N 1 2 407.421 1.693 20 0 HDADLO O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000732127278 1075631071 /nfs/dbraw/zinc/63/10/71/1075631071.db2.gz GWHNQRBTHXVNGP-MRXNPFEDSA-N 1 2 411.524 1.391 20 0 HDADLO COCCCOC1CC[NH+](Cc2nc(N)nc(Nc3ccccc3OC)n2)CC1 ZINC000533294830 1075632283 /nfs/dbraw/zinc/63/22/83/1075632283.db2.gz GOGMBCSERUYQMG-UHFFFAOYSA-N 1 2 402.499 1.645 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000556503457 1075639253 /nfs/dbraw/zinc/63/92/53/1075639253.db2.gz XEMVIXMHIWBKEG-UHFFFAOYSA-N 1 2 409.494 1.219 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)n1 ZINC000548960787 1075641496 /nfs/dbraw/zinc/64/14/96/1075641496.db2.gz LSICSNJRYMBTCA-OAHLLOKOSA-N 1 2 413.526 1.612 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)n1 ZINC000548960787 1075641501 /nfs/dbraw/zinc/64/15/01/1075641501.db2.gz LSICSNJRYMBTCA-OAHLLOKOSA-N 1 2 413.526 1.612 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000532582348 1075641961 /nfs/dbraw/zinc/64/19/61/1075641961.db2.gz LNBHIQBCRDHSQX-INIZCTEOSA-N 1 2 420.521 1.902 20 0 HDADLO COc1cc(C=O)ccc1OCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165041 1075643686 /nfs/dbraw/zinc/64/36/86/1075643686.db2.gz GLIRAPOWYLZAJV-FQEVSTJZSA-N 1 2 412.486 1.946 20 0 HDADLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676662127 1075643703 /nfs/dbraw/zinc/64/37/03/1075643703.db2.gz CTOCRQKVQORHDI-UHFFFAOYSA-N 1 2 401.467 1.510 20 0 HDADLO CCOC(=O)N1CCC[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732166169 1075644627 /nfs/dbraw/zinc/64/46/27/1075644627.db2.gz VGUXZTFYYWRSKW-WOJBJXKFSA-N 1 2 403.523 1.915 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000732187588 1075653704 /nfs/dbraw/zinc/65/37/04/1075653704.db2.gz WWFGDFYBEGNHKQ-HTAPYJJXSA-N 1 2 414.506 1.593 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000732187588 1075653708 /nfs/dbraw/zinc/65/37/08/1075653708.db2.gz WWFGDFYBEGNHKQ-HTAPYJJXSA-N 1 2 414.506 1.593 20 0 HDADLO COC(=O)CN(C)C(=O)CC[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000732197052 1075657442 /nfs/dbraw/zinc/65/74/42/1075657442.db2.gz KPRHBVUYUKFVOL-UHFFFAOYSA-N 1 2 409.355 1.526 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000732207139 1075664532 /nfs/dbraw/zinc/66/45/32/1075664532.db2.gz CHTMVCZRYNMFGE-LBPRGKRZSA-N 1 2 400.501 1.118 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000732207139 1075664535 /nfs/dbraw/zinc/66/45/35/1075664535.db2.gz CHTMVCZRYNMFGE-LBPRGKRZSA-N 1 2 400.501 1.118 20 0 HDADLO CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OS(=O)(=O)c2c[nH]nc2C)CC1 ZINC000732218620 1075672558 /nfs/dbraw/zinc/67/25/58/1075672558.db2.gz GXSRORUQERSNJT-UHFFFAOYSA-N 1 2 412.899 1.917 20 0 HDADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482865560 1075687402 /nfs/dbraw/zinc/68/74/02/1075687402.db2.gz KCWRPLOIBNGHLI-AWEZNQCLSA-N 1 2 421.505 1.899 20 0 HDADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482865560 1075687406 /nfs/dbraw/zinc/68/74/06/1075687406.db2.gz KCWRPLOIBNGHLI-AWEZNQCLSA-N 1 2 421.505 1.899 20 0 HDADLO CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[NH+]2CCSCC2)c1OC ZINC000509433621 1075689629 /nfs/dbraw/zinc/68/96/29/1075689629.db2.gz AMOJNUOXIANPOS-UHFFFAOYSA-N 1 2 407.945 1.035 20 0 HDADLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000558730680 1075689999 /nfs/dbraw/zinc/68/99/99/1075689999.db2.gz SXJVFWSYNXVTEZ-KBPBESRZSA-N 1 2 409.498 2.009 20 0 HDADLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000558730680 1075690002 /nfs/dbraw/zinc/69/00/02/1075690002.db2.gz SXJVFWSYNXVTEZ-KBPBESRZSA-N 1 2 409.498 2.009 20 0 HDADLO COc1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc(OC)c1OC ZINC000029158292 1075691742 /nfs/dbraw/zinc/69/17/42/1075691742.db2.gz QVTCHOVQNYUFOC-UHFFFAOYSA-N 1 2 405.495 1.985 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[N@@H+]3CCC[C@@H](c4cc(C(N)=O)[nH]n4)C3)n2)cc1 ZINC000464781124 1075703243 /nfs/dbraw/zinc/70/32/43/1075703243.db2.gz RXNIXRUEADWUJR-CYBMUJFWSA-N 1 2 407.482 1.707 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[N@H+]3CCC[C@@H](c4cc(C(N)=O)[nH]n4)C3)n2)cc1 ZINC000464781124 1075703248 /nfs/dbraw/zinc/70/32/48/1075703248.db2.gz RXNIXRUEADWUJR-CYBMUJFWSA-N 1 2 407.482 1.707 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[N@@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2)cc1 ZINC000426157842 1075704521 /nfs/dbraw/zinc/70/45/21/1075704521.db2.gz YOWLCQFJZVLWPD-GFCCVEGCSA-N 1 2 409.416 2.006 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[N@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2)cc1 ZINC000426157842 1075704527 /nfs/dbraw/zinc/70/45/27/1075704527.db2.gz YOWLCQFJZVLWPD-GFCCVEGCSA-N 1 2 409.416 2.006 20 0 HDADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429259178 1075714205 /nfs/dbraw/zinc/71/42/05/1075714205.db2.gz XRMGJGQXRGVUTK-CYBMUJFWSA-N 1 2 411.466 1.597 20 0 HDADLO Cn1cnc(NC(=O)C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)n1 ZINC000559764884 1075717230 /nfs/dbraw/zinc/71/72/30/1075717230.db2.gz JUQVIQDMIFDIBA-UHFFFAOYSA-N 1 2 419.848 1.862 20 0 HDADLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000558730701 1075717702 /nfs/dbraw/zinc/71/77/02/1075717702.db2.gz SXJVFWSYNXVTEZ-ZIAGYGMSSA-N 1 2 409.498 2.009 20 0 HDADLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000558730701 1075717707 /nfs/dbraw/zinc/71/77/07/1075717707.db2.gz SXJVFWSYNXVTEZ-ZIAGYGMSSA-N 1 2 409.498 2.009 20 0 HDADLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000558730695 1075717721 /nfs/dbraw/zinc/71/77/21/1075717721.db2.gz SXJVFWSYNXVTEZ-KGLIPLIRSA-N 1 2 409.498 2.009 20 0 HDADLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000558730695 1075717725 /nfs/dbraw/zinc/71/77/25/1075717725.db2.gz SXJVFWSYNXVTEZ-KGLIPLIRSA-N 1 2 409.498 2.009 20 0 HDADLO Nc1nccc([C@@H]2CCC[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000554842209 1075719648 /nfs/dbraw/zinc/71/96/48/1075719648.db2.gz SLSWIGFATLPYEZ-CYBMUJFWSA-N 1 2 412.450 1.358 20 0 HDADLO Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000554842209 1075719652 /nfs/dbraw/zinc/71/96/52/1075719652.db2.gz SLSWIGFATLPYEZ-CYBMUJFWSA-N 1 2 412.450 1.358 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CN3CCCCC3=O)CC2)n1 ZINC000440487947 1075720317 /nfs/dbraw/zinc/72/03/17/1075720317.db2.gz CGCZWHGXZYLGON-UHFFFAOYSA-N 1 2 409.538 2.152 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507162854 1075749609 /nfs/dbraw/zinc/74/96/09/1075749609.db2.gz FOOHAHQMOIJWMI-HNNXBMFYSA-N 1 2 408.510 1.805 20 0 HDADLO Cc1nc2c(s1)[C@@H](N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)CCC2 ZINC000732464058 1075751803 /nfs/dbraw/zinc/75/18/03/1075751803.db2.gz WFIXTVQUTPJBLP-INIZCTEOSA-N 1 2 414.597 1.979 20 0 HDADLO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429269109 1075753284 /nfs/dbraw/zinc/75/32/84/1075753284.db2.gz UOUDSQOZCNPBNK-ZDUSSCGKSA-N 1 2 405.480 1.469 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCCC[C@@H]1C1OCCO1 ZINC000732476309 1075757048 /nfs/dbraw/zinc/75/70/48/1075757048.db2.gz DEGDXEVTMYIVOQ-WOJBJXKFSA-N 1 2 403.523 1.867 20 0 HDADLO CCOC(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732476455 1075757254 /nfs/dbraw/zinc/75/72/54/1075757254.db2.gz KCPQXPFWBLXIGE-IBGZPJMESA-N 1 2 404.511 1.414 20 0 HDADLO COc1ccccc1[C@H](O)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732476861 1075757281 /nfs/dbraw/zinc/75/72/81/1075757281.db2.gz ZVHINALDDNGOLK-TZIWHRDSSA-N 1 2 413.518 1.971 20 0 HDADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000462560344 1075782560 /nfs/dbraw/zinc/78/25/60/1075782560.db2.gz UITISZYIINWTFU-MGPUTAFESA-N 1 2 412.465 2.568 20 0 HDADLO CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000732659099 1075819081 /nfs/dbraw/zinc/81/90/81/1075819081.db2.gz QUGSFXUOQOIFQL-LJQANCHMSA-N 1 2 423.579 1.139 20 0 HDADLO COC(=O)c1cc(F)ccc1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000611068998 1075824253 /nfs/dbraw/zinc/82/42/53/1075824253.db2.gz QZCGNGICCJHRLQ-UHFFFAOYSA-N 1 2 413.413 1.643 20 0 HDADLO Cc1onc2c1c(C)nn(CN1CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC1)c2=O ZINC000732672739 1075828064 /nfs/dbraw/zinc/82/80/64/1075828064.db2.gz LZUAUNVADLPEQI-QGZVFWFLSA-N 1 2 417.897 1.963 20 0 HDADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)[NH+]1CCOCC1 ZINC000434730815 1075828079 /nfs/dbraw/zinc/82/80/79/1075828079.db2.gz UJGTUINHBFGGAP-INIZCTEOSA-N 1 2 406.527 2.308 20 0 HDADLO CSC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000429292267 1075837984 /nfs/dbraw/zinc/83/79/84/1075837984.db2.gz IEDVJXKMSVHPPG-OAHLLOKOSA-N 1 2 420.622 1.786 20 0 HDADLO CSC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000429292267 1075837989 /nfs/dbraw/zinc/83/79/89/1075837989.db2.gz IEDVJXKMSVHPPG-OAHLLOKOSA-N 1 2 420.622 1.786 20 0 HDADLO CCc1c(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cnn1CC(C)C ZINC000611137940 1075857981 /nfs/dbraw/zinc/85/79/81/1075857981.db2.gz BABVOTWYIWVQII-HNNXBMFYSA-N 1 2 407.515 1.136 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732807008 1075863328 /nfs/dbraw/zinc/86/33/28/1075863328.db2.gz DYLVZTPHWVGVFB-GOSISDBHSA-N 1 2 400.523 1.781 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732807008 1075863332 /nfs/dbraw/zinc/86/33/32/1075863332.db2.gz DYLVZTPHWVGVFB-GOSISDBHSA-N 1 2 400.523 1.781 20 0 HDADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000611170275 1075866323 /nfs/dbraw/zinc/86/63/23/1075866323.db2.gz ZYKIRUWCZBDCRW-YOEHRIQHSA-N 1 2 411.520 1.991 20 0 HDADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000611170275 1075866325 /nfs/dbraw/zinc/86/63/25/1075866325.db2.gz ZYKIRUWCZBDCRW-YOEHRIQHSA-N 1 2 411.520 1.991 20 0 HDADLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732812360 1075873100 /nfs/dbraw/zinc/87/31/00/1075873100.db2.gz CJSTZAGLFOIXTF-WFASDCNBSA-N 1 2 415.412 1.573 20 0 HDADLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732812360 1075873103 /nfs/dbraw/zinc/87/31/03/1075873103.db2.gz CJSTZAGLFOIXTF-WFASDCNBSA-N 1 2 415.412 1.573 20 0 HDADLO COC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCSCC2)ccc1Br ZINC000732814925 1075876651 /nfs/dbraw/zinc/87/66/51/1075876651.db2.gz MOABFGUFEJZBDV-UHFFFAOYSA-N 1 2 423.354 1.563 20 0 HDADLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1OC ZINC000732818912 1075878720 /nfs/dbraw/zinc/87/87/20/1075878720.db2.gz LRPQTXJVQWNEKF-IAGOWNOFSA-N 1 2 415.490 1.813 20 0 HDADLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1OC ZINC000732818912 1075878725 /nfs/dbraw/zinc/87/87/25/1075878725.db2.gz LRPQTXJVQWNEKF-IAGOWNOFSA-N 1 2 415.490 1.813 20 0 HDADLO COC(=O)c1ccc(N2CC[N@H+](CC(=O)N3CCOC[C@@H]3C3CC3)[C@H](C)C2)cc1 ZINC000611224850 1075880295 /nfs/dbraw/zinc/88/02/95/1075880295.db2.gz JFEOQRJEXBASMS-OXQOHEQNSA-N 1 2 401.507 1.621 20 0 HDADLO COC(=O)c1ccc(N2CC[N@@H+](CC(=O)N3CCOC[C@@H]3C3CC3)[C@H](C)C2)cc1 ZINC000611224850 1075880300 /nfs/dbraw/zinc/88/03/00/1075880300.db2.gz JFEOQRJEXBASMS-OXQOHEQNSA-N 1 2 401.507 1.621 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000611277912 1075890299 /nfs/dbraw/zinc/89/02/99/1075890299.db2.gz NWAIKKYIMDRFCU-KRWDZBQOSA-N 1 2 400.460 1.864 20 0 HDADLO COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c1OC ZINC000611304989 1075895771 /nfs/dbraw/zinc/89/57/71/1075895771.db2.gz VYOMNMZXUPREBJ-UHFFFAOYSA-N 1 2 418.431 1.872 20 0 HDADLO COC(=O)C1=C(CN(C)CC[NH+]2CCOCC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000732873430 1075902224 /nfs/dbraw/zinc/90/22/24/1075902224.db2.gz WYCSVJOSSVYBSY-LJQANCHMSA-N 1 2 402.495 1.074 20 0 HDADLO COC(=O)C1=C(C[N@H+](C)CCN2CCOCC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000732873430 1075902225 /nfs/dbraw/zinc/90/22/25/1075902225.db2.gz WYCSVJOSSVYBSY-LJQANCHMSA-N 1 2 402.495 1.074 20 0 HDADLO COC(=O)C1=C(C[N@@H+](C)CCN2CCOCC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000732873430 1075902229 /nfs/dbraw/zinc/90/22/29/1075902229.db2.gz WYCSVJOSSVYBSY-LJQANCHMSA-N 1 2 402.495 1.074 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc(Cl)nc1 ZINC000732914936 1075912631 /nfs/dbraw/zinc/91/26/31/1075912631.db2.gz APOQXORMIKAXRA-HNNXBMFYSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(Cl)nc1 ZINC000732914936 1075912632 /nfs/dbraw/zinc/91/26/32/1075912632.db2.gz APOQXORMIKAXRA-HNNXBMFYSA-N 1 2 402.886 1.760 20 0 HDADLO CCOC(=O)c1sc2[nH]c([C@@H](C)N3CC[NH+]([C@H]4CCOC4)CC3)nc(=O)c2c1C ZINC000611348679 1075912901 /nfs/dbraw/zinc/91/29/01/1075912901.db2.gz HMRBBIQTJFIGNC-KGLIPLIRSA-N 1 2 420.535 1.937 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000611540792 1075954856 /nfs/dbraw/zinc/95/48/56/1075954856.db2.gz YIJPFLXWHULTPB-HUUCEWRRSA-N 1 2 402.900 1.346 20 0 HDADLO O=C(NCCCCNc1cccc[nH+]1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733042698 1075963424 /nfs/dbraw/zinc/96/34/24/1075963424.db2.gz UUKIUXGDFLRZDQ-UHFFFAOYSA-N 1 2 419.498 1.837 20 0 HDADLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](N(Cc3ccccc3)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)on1 ZINC001079139299 1075964744 /nfs/dbraw/zinc/96/47/44/1075964744.db2.gz LPEOIMBBRNUURL-VYKPCIFISA-N 1 2 423.513 1.980 20 0 HDADLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](N(Cc3ccccc3)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)on1 ZINC001079139299 1075964746 /nfs/dbraw/zinc/96/47/46/1075964746.db2.gz LPEOIMBBRNUURL-VYKPCIFISA-N 1 2 423.513 1.980 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC/C=C/c2ccccc2)CC1 ZINC000733046860 1075965367 /nfs/dbraw/zinc/96/53/67/1075965367.db2.gz BTYCTFXQDUBTEW-JXMROGBWSA-N 1 2 406.486 1.842 20 0 HDADLO Cc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]4COC[C@@H]43)CC2)[nH]1 ZINC001079262837 1075968039 /nfs/dbraw/zinc/96/80/39/1075968039.db2.gz DEWIKTPWUSIKTQ-SFFUCWETSA-N 1 2 401.511 1.120 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)c2C)no1 ZINC000506025760 1075974301 /nfs/dbraw/zinc/97/43/01/1075974301.db2.gz HHGDOCPGSZGLHN-UHFFFAOYSA-N 1 2 410.478 1.693 20 0 HDADLO CC(C)C(=O)Nc1cccc(OC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000733172230 1075981931 /nfs/dbraw/zinc/98/19/31/1075981931.db2.gz WVKISALFUSIEPE-IBGZPJMESA-N 1 2 417.506 1.900 20 0 HDADLO CC(C)C(=O)Nc1cccc(OC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000733172231 1075982013 /nfs/dbraw/zinc/98/20/13/1075982013.db2.gz WVKISALFUSIEPE-LJQANCHMSA-N 1 2 417.506 1.900 20 0 HDADLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001080154824 1075983216 /nfs/dbraw/zinc/98/32/16/1075983216.db2.gz NLNLNZONNFFTCG-KQJHKXNGSA-N 1 2 401.507 1.885 20 0 HDADLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)cc1 ZINC001080154824 1075983220 /nfs/dbraw/zinc/98/32/20/1075983220.db2.gz NLNLNZONNFFTCG-KQJHKXNGSA-N 1 2 401.507 1.885 20 0 HDADLO C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000508975563 1075986744 /nfs/dbraw/zinc/98/67/44/1075986744.db2.gz GTZFJECBBODUEI-YLJYHZDGSA-N 1 2 411.506 1.764 20 0 HDADLO CC(C)(C)OC(=O)NC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCCC1 ZINC000733159285 1075993212 /nfs/dbraw/zinc/99/32/12/1075993212.db2.gz DMNLDPXMCAZHCH-UHFFFAOYSA-N 1 2 422.570 1.981 20 0 HDADLO CC(C)(C)OC(=O)NC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCCC1 ZINC000733159285 1075993217 /nfs/dbraw/zinc/99/32/17/1075993217.db2.gz DMNLDPXMCAZHCH-UHFFFAOYSA-N 1 2 422.570 1.981 20 0 HDADLO CO[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959462 1076019496 /nfs/dbraw/zinc/01/94/96/1076019496.db2.gz JJOHVNHVBQBMNK-URLCPOCESA-N 1 2 405.539 1.016 20 0 HDADLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959462 1076019504 /nfs/dbraw/zinc/01/95/04/1076019504.db2.gz JJOHVNHVBQBMNK-URLCPOCESA-N 1 2 405.539 1.016 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(I)s2)CCO1 ZINC000727034423 1076029570 /nfs/dbraw/zinc/02/95/70/1076029570.db2.gz MNFJOYOCONKRSB-LLVKDONJSA-N 1 2 423.320 1.915 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(I)s2)CCO1 ZINC000727034423 1076029575 /nfs/dbraw/zinc/02/95/75/1076029575.db2.gz MNFJOYOCONKRSB-LLVKDONJSA-N 1 2 423.320 1.915 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000733296275 1076042016 /nfs/dbraw/zinc/04/20/16/1076042016.db2.gz KIIJFYCEJNXYLH-OAHLLOKOSA-N 1 2 400.277 1.197 20 0 HDADLO Cc1[nH]c2ccc(NC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)cc2[nH+]1 ZINC000727100827 1076044164 /nfs/dbraw/zinc/04/41/64/1076044164.db2.gz LZYPVKFJJVKLLG-UHFFFAOYSA-N 1 2 416.239 1.716 20 0 HDADLO CO[C@@H](CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C(F)(F)F ZINC000733337683 1076045998 /nfs/dbraw/zinc/04/59/98/1076045998.db2.gz QTWPZDUCGSECSH-HNNXBMFYSA-N 1 2 402.417 1.966 20 0 HDADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000727132178 1076050724 /nfs/dbraw/zinc/05/07/24/1076050724.db2.gz UCGCPVUXHTZGNA-LJQANCHMSA-N 1 2 418.538 1.923 20 0 HDADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000727132178 1076050728 /nfs/dbraw/zinc/05/07/28/1076050728.db2.gz UCGCPVUXHTZGNA-LJQANCHMSA-N 1 2 418.538 1.923 20 0 HDADLO C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@@H]1COc2ccccc2O1 ZINC000053403244 1076056262 /nfs/dbraw/zinc/05/62/62/1076056262.db2.gz MGKXPQTUVVXVES-QGZVFWFLSA-N 1 2 401.438 1.806 20 0 HDADLO C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@@H]1COc2ccccc2O1 ZINC000053403244 1076056270 /nfs/dbraw/zinc/05/62/70/1076056270.db2.gz MGKXPQTUVVXVES-QGZVFWFLSA-N 1 2 401.438 1.806 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000727158251 1076071210 /nfs/dbraw/zinc/07/12/10/1076071210.db2.gz JWGAIBIMOMAMAB-MGPUTAFESA-N 1 2 414.506 1.835 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000727158251 1076071214 /nfs/dbraw/zinc/07/12/14/1076071214.db2.gz JWGAIBIMOMAMAB-MGPUTAFESA-N 1 2 414.506 1.835 20 0 HDADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)C1=O ZINC000727266448 1076090186 /nfs/dbraw/zinc/09/01/86/1076090186.db2.gz ZLTOEQNDTDOTFO-QFIPXVFZSA-N 1 2 424.457 1.736 20 0 HDADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)C1=O ZINC000727266448 1076090192 /nfs/dbraw/zinc/09/01/92/1076090192.db2.gz ZLTOEQNDTDOTFO-QFIPXVFZSA-N 1 2 424.457 1.736 20 0 HDADLO O=C(CCc1cscn1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000733529134 1076095150 /nfs/dbraw/zinc/09/51/50/1076095150.db2.gz BQOVFWKXEDJJNH-UHFFFAOYSA-N 1 2 415.515 1.898 20 0 HDADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000727412183 1076118468 /nfs/dbraw/zinc/11/84/68/1076118468.db2.gz BVVPJZDXLABOFJ-CYBMUJFWSA-N 1 2 402.476 1.871 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)NC(=O)N[C@@H]1C ZINC000727437855 1076120752 /nfs/dbraw/zinc/12/07/52/1076120752.db2.gz ZRBWAMPBPIQSHG-CYBMUJFWSA-N 1 2 418.494 1.609 20 0 HDADLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000727437563 1076121367 /nfs/dbraw/zinc/12/13/67/1076121367.db2.gz TYNIVHWAPLOEKC-SFHVURJKSA-N 1 2 418.494 1.194 20 0 HDADLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000727437563 1076121373 /nfs/dbraw/zinc/12/13/73/1076121373.db2.gz TYNIVHWAPLOEKC-SFHVURJKSA-N 1 2 418.494 1.194 20 0 HDADLO O=C(COC(=O)COc1ccc(O)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000733828451 1076219990 /nfs/dbraw/zinc/21/99/90/1076219990.db2.gz XNOILKHCUKJQOS-UHFFFAOYSA-N 1 2 400.431 1.785 20 0 HDADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727757078 1076230700 /nfs/dbraw/zinc/23/07/00/1076230700.db2.gz PPRXQDHJFOLEAF-KRWDZBQOSA-N 1 2 401.423 1.358 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(C)c1 ZINC000531668068 1076237636 /nfs/dbraw/zinc/23/76/36/1076237636.db2.gz CXZMCWDGNAMNNN-RBUKOAKNSA-N 1 2 416.522 1.443 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2[nH]c1=S ZINC000733884647 1076239152 /nfs/dbraw/zinc/23/91/52/1076239152.db2.gz ZLOCZLSNIHWNSP-AWEZNQCLSA-N 1 2 404.536 1.745 20 0 HDADLO Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000534327542 1076247160 /nfs/dbraw/zinc/24/71/60/1076247160.db2.gz FNLVPPNHPMMMDP-OALUTQOASA-N 1 2 411.506 1.879 20 0 HDADLO CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC001299319027 1076247346 /nfs/dbraw/zinc/24/73/46/1076247346.db2.gz NNRMUAOGYXJFQZ-FQEVSTJZSA-N 1 2 401.548 1.876 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000536023098 1076253816 /nfs/dbraw/zinc/25/38/16/1076253816.db2.gz MKLDROPMQFTFAE-FQEVSTJZSA-N 1 2 415.515 1.624 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000536023098 1076253820 /nfs/dbraw/zinc/25/38/20/1076253820.db2.gz MKLDROPMQFTFAE-FQEVSTJZSA-N 1 2 415.515 1.624 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(OCC(=O)N(C)C)c1 ZINC000536032894 1076254096 /nfs/dbraw/zinc/25/40/96/1076254096.db2.gz PKBRRNPXBRMVFH-IBGZPJMESA-N 1 2 424.501 1.703 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(OCC(=O)N(C)C)c1 ZINC000536032894 1076254101 /nfs/dbraw/zinc/25/41/01/1076254101.db2.gz PKBRRNPXBRMVFH-IBGZPJMESA-N 1 2 424.501 1.703 20 0 HDADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536037773 1076254838 /nfs/dbraw/zinc/25/48/38/1076254838.db2.gz YUZFGMJONXCUNT-SFHVURJKSA-N 1 2 401.488 1.640 20 0 HDADLO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536037773 1076254843 /nfs/dbraw/zinc/25/48/43/1076254843.db2.gz YUZFGMJONXCUNT-SFHVURJKSA-N 1 2 401.488 1.640 20 0 HDADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000727831684 1076263576 /nfs/dbraw/zinc/26/35/76/1076263576.db2.gz DNDPMOFHMFUMOG-GOSISDBHSA-N 1 2 411.474 1.729 20 0 HDADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000727831716 1076263843 /nfs/dbraw/zinc/26/38/43/1076263843.db2.gz FMPPEYZYSWXKHI-SFHVURJKSA-N 1 2 411.474 1.729 20 0 HDADLO CCCCCC[C@@H](C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000727850147 1076271129 /nfs/dbraw/zinc/27/11/29/1076271129.db2.gz UGIZXLYGJCHUHQ-GOSISDBHSA-N 1 2 402.605 1.619 20 0 HDADLO O=C(C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)N1CC(n2cc[nH+]c2)C1 ZINC000733985853 1076284053 /nfs/dbraw/zinc/28/40/53/1076284053.db2.gz OCZXZTYWTSWVBX-UHFFFAOYSA-N 1 2 409.899 1.416 20 0 HDADLO COc1ccc(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c(OC)c1OC ZINC000727948313 1076293906 /nfs/dbraw/zinc/29/39/06/1076293906.db2.gz ZIKPUDLDHGVAEB-UHFFFAOYSA-N 1 2 403.435 1.988 20 0 HDADLO COC[C@H](C)NC(=S)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000727978108 1076302420 /nfs/dbraw/zinc/30/24/20/1076302420.db2.gz FWJYXIRIVFCRKB-KRWDZBQOSA-N 1 2 422.595 1.271 20 0 HDADLO COc1ccccc1C[NH+]1CCN(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000728048079 1076319006 /nfs/dbraw/zinc/31/90/06/1076319006.db2.gz BTJSJHJDEUPBDT-UHFFFAOYSA-N 1 2 414.506 1.894 20 0 HDADLO COc1ccccc1C[NH+]1CCN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 ZINC000728048984 1076319229 /nfs/dbraw/zinc/31/92/29/1076319229.db2.gz DDTNOWZTGHQINQ-HXUWFJFHSA-N 1 2 408.502 1.933 20 0 HDADLO CCOC(=O)N1CCN(C(=O)CN2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000728055699 1076322411 /nfs/dbraw/zinc/32/24/11/1076322411.db2.gz FUPHRDKUEMXMDJ-UHFFFAOYSA-N 1 2 404.511 1.114 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3ccc(C)s3)C2=O)cc1 ZINC000728055979 1076323111 /nfs/dbraw/zinc/32/31/11/1076323111.db2.gz VFGAXHSXUSGRNG-FQEVSTJZSA-N 1 2 416.503 1.995 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3ccc(C)s3)C2=O)cc1 ZINC000728055979 1076323116 /nfs/dbraw/zinc/32/31/16/1076323116.db2.gz VFGAXHSXUSGRNG-FQEVSTJZSA-N 1 2 416.503 1.995 20 0 HDADLO CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C[NH+]3CCOCC3)cc1)C2=O ZINC000025380810 1076351697 /nfs/dbraw/zinc/35/16/97/1076351697.db2.gz ZMQLBZYSNCUWGF-UHFFFAOYSA-N 1 2 414.506 1.958 20 0 HDADLO O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000497636072 1076352643 /nfs/dbraw/zinc/35/26/43/1076352643.db2.gz AHWADSTYPVHWLO-UHFFFAOYSA-N 1 2 424.461 1.275 20 0 HDADLO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)NC1CCCCCC1 ZINC001084532556 1076369129 /nfs/dbraw/zinc/36/91/29/1076369129.db2.gz CFPHYRYQQCSUQB-LFTGHYRXSA-N 1 2 401.551 1.782 20 0 HDADLO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)NC1CCCCCC1 ZINC001084532556 1076369141 /nfs/dbraw/zinc/36/91/41/1076369141.db2.gz CFPHYRYQQCSUQB-LFTGHYRXSA-N 1 2 401.551 1.782 20 0 HDADLO Cn1cc(C[NH+]2CCN(Cn3nc(N4CCOCC4)n(C4CC4)c3=S)CC2)cn1 ZINC000729989394 1076409438 /nfs/dbraw/zinc/40/94/38/1076409438.db2.gz VKXIPGKRDWTGOL-UHFFFAOYSA-N 1 2 418.571 1.094 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000730132756 1076459482 /nfs/dbraw/zinc/45/94/82/1076459482.db2.gz YZMWYOOWNGQJDN-ZWKOTPCHSA-N 1 2 411.591 1.911 20 0 HDADLO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000730132155 1076460065 /nfs/dbraw/zinc/46/00/65/1076460065.db2.gz VKHXUIVUHHAPTP-LPHOPBHVSA-N 1 2 403.527 1.444 20 0 HDADLO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000730132153 1076460150 /nfs/dbraw/zinc/46/01/50/1076460150.db2.gz VKHXUIVUHHAPTP-APWZRJJASA-N 1 2 403.527 1.444 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730219593 1076480869 /nfs/dbraw/zinc/48/08/69/1076480869.db2.gz GLBGFEQYOURASY-HNNXBMFYSA-N 1 2 401.442 1.346 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730208800 1076483123 /nfs/dbraw/zinc/48/31/23/1076483123.db2.gz JYOQEMPLQNRVGG-CQSZACIVSA-N 1 2 423.452 1.204 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000730228356 1076486205 /nfs/dbraw/zinc/48/62/05/1076486205.db2.gz SIKUAZYESNKGNT-AWEZNQCLSA-N 1 2 421.592 1.680 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730261941 1076502468 /nfs/dbraw/zinc/50/24/68/1076502468.db2.gz IQORRTXYZITPSE-HNNXBMFYSA-N 1 2 423.510 1.928 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730261941 1076502475 /nfs/dbraw/zinc/50/24/75/1076502475.db2.gz IQORRTXYZITPSE-HNNXBMFYSA-N 1 2 423.510 1.928 20 0 HDADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730264183 1076506670 /nfs/dbraw/zinc/50/66/70/1076506670.db2.gz PMZRJDQOXVTBMC-OAGGEKHMSA-N 1 2 405.495 1.930 20 0 HDADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730264183 1076506675 /nfs/dbraw/zinc/50/66/75/1076506675.db2.gz PMZRJDQOXVTBMC-OAGGEKHMSA-N 1 2 405.495 1.930 20 0 HDADLO COc1ccc(C[NH+]2CCC(CNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CC2)cc1 ZINC000730533851 1076592046 /nfs/dbraw/zinc/59/20/46/1076592046.db2.gz PSFDEKKUCWWYLS-UHFFFAOYSA-N 1 2 410.478 1.108 20 0 HDADLO CS(=O)(=O)CCNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000730580572 1076602137 /nfs/dbraw/zinc/60/21/37/1076602137.db2.gz MSHDAUQPKJUZKL-UHFFFAOYSA-N 1 2 402.948 1.196 20 0 HDADLO CCN(c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1)C(C)C ZINC000730571967 1076606307 /nfs/dbraw/zinc/60/63/07/1076606307.db2.gz ZRNFMXBBQNTYCQ-INIZCTEOSA-N 1 2 411.572 1.365 20 0 HDADLO CCN(c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1)C(C)C ZINC000730571967 1076606314 /nfs/dbraw/zinc/60/63/14/1076606314.db2.gz ZRNFMXBBQNTYCQ-INIZCTEOSA-N 1 2 411.572 1.365 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(OC(C)C)CC3)C2=O)cc1 ZINC000730570552 1076606413 /nfs/dbraw/zinc/60/64/13/1076606413.db2.gz MSYZKWVWXIQJLK-NRFANRHFSA-N 1 2 418.494 1.383 20 0 HDADLO C[C@H](NC(=O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(=O)N1CCCCC1 ZINC000730573005 1076607193 /nfs/dbraw/zinc/60/71/93/1076607193.db2.gz UPZUFKSCFNUKOS-INIZCTEOSA-N 1 2 410.559 1.835 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730675530 1076635467 /nfs/dbraw/zinc/63/54/67/1076635467.db2.gz NPAPFMVBJLEPMP-CVEARBPZSA-N 1 2 408.518 1.868 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C(C)(C)OC)CC2)cc1OC ZINC000730884594 1076681810 /nfs/dbraw/zinc/68/18/10/1076681810.db2.gz GIBNNBJOLCHHTN-UHFFFAOYSA-N 1 2 408.495 1.625 20 0 HDADLO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731004543 1076708417 /nfs/dbraw/zinc/70/84/17/1076708417.db2.gz PXXWKXLOLVJVIH-NSHDSACASA-N 1 2 421.491 1.299 20 0 HDADLO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731004543 1076708422 /nfs/dbraw/zinc/70/84/22/1076708422.db2.gz PXXWKXLOLVJVIH-NSHDSACASA-N 1 2 421.491 1.299 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(NC(=O)C(C)(C)C)nn3)CC2)C1=O ZINC001164640792 719274116 /nfs/dbraw/zinc/27/41/16/719274116.db2.gz PFUUSMDEXLOGKE-UHFFFAOYSA-N 1 2 418.542 1.221 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(NC(=O)C(C)(C)C)nn3)CC2)C1=O ZINC001164640792 719274122 /nfs/dbraw/zinc/27/41/22/719274122.db2.gz PFUUSMDEXLOGKE-UHFFFAOYSA-N 1 2 418.542 1.221 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C)cc3/C=C\C(=O)OC)CC2)C1=O ZINC001164640962 719277784 /nfs/dbraw/zinc/27/77/84/719277784.db2.gz QXWFLCHLMIQXCF-WAYWQWQTSA-N 1 2 416.522 1.336 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C)cc3/C=C\C(=O)OC)CC2)C1=O ZINC001164640962 719277790 /nfs/dbraw/zinc/27/77/90/719277790.db2.gz QXWFLCHLMIQXCF-WAYWQWQTSA-N 1 2 416.522 1.336 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)C1=O ZINC001164644535 719284917 /nfs/dbraw/zinc/28/49/17/719284917.db2.gz NLRVXFRKRJBHKQ-INIZCTEOSA-N 1 2 401.870 1.017 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)C1=O ZINC001164644535 719284920 /nfs/dbraw/zinc/28/49/20/719284920.db2.gz NLRVXFRKRJBHKQ-INIZCTEOSA-N 1 2 401.870 1.017 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccnc(-c4nccs4)n3)CC2)C1=O ZINC001164644067 719285191 /nfs/dbraw/zinc/28/51/91/719285191.db2.gz BAMXSVIRMREGAA-UHFFFAOYSA-N 1 2 402.524 1.360 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccnc(-c4nccs4)n3)CC2)C1=O ZINC001164644067 719285194 /nfs/dbraw/zinc/28/51/94/719285194.db2.gz BAMXSVIRMREGAA-UHFFFAOYSA-N 1 2 402.524 1.360 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(N2CCCC2)n1 ZINC001164705296 719837209 /nfs/dbraw/zinc/83/72/09/719837209.db2.gz UTAPOHSHUAMPFZ-LAUBAEHRSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(NCC2CC2)n1 ZINC001164703304 719837522 /nfs/dbraw/zinc/83/75/22/719837522.db2.gz QAKGFFHARQIAGR-UTKZUKDTSA-N 1 2 403.527 1.840 20 0 HDADLO CCOC(=O)/C=C\c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701028 719840664 /nfs/dbraw/zinc/84/06/64/719840664.db2.gz LPEQKOXNZSYLNH-HGHFLKBRSA-N 1 2 417.506 1.891 20 0 HDADLO CCOC(=O)/C=C\c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701034 719841021 /nfs/dbraw/zinc/84/10/21/719841021.db2.gz LPEQKOXNZSYLNH-PLVIEQCCSA-N 1 2 417.506 1.891 20 0 HDADLO CCOC(=O)c1cc(C)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706615 719844639 /nfs/dbraw/zinc/84/46/39/719844639.db2.gz XZQGQDMRSIXUSE-IIBYNOLFSA-N 1 2 405.495 1.799 20 0 HDADLO CCOC(=O)c1cc(C)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706611 719844839 /nfs/dbraw/zinc/84/48/39/719844839.db2.gz XZQGQDMRSIXUSE-HRAATJIYSA-N 1 2 405.495 1.799 20 0 HDADLO CCOC(=O)c1cc(C)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164706613 719844861 /nfs/dbraw/zinc/84/48/61/719844861.db2.gz XZQGQDMRSIXUSE-IERDGZPVSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccnc21 ZINC001164700476 719846122 /nfs/dbraw/zinc/84/61/22/719846122.db2.gz KVOBZYXXXMUYHV-YJYMSZOUSA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccnc21 ZINC001164700474 719846330 /nfs/dbraw/zinc/84/63/30/719846330.db2.gz KVOBZYXXXMUYHV-ORAYPTAESA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)c1c(C)cc(C)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164699486 719853186 /nfs/dbraw/zinc/85/31/86/719853186.db2.gz FRCAFNDWJRZTFB-KKSFZXQISA-N 1 2 405.495 1.718 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(OC)ccc2n1 ZINC001164704646 719856985 /nfs/dbraw/zinc/85/69/85/719856985.db2.gz SCQIWRLDILJSPD-KKSFZXQISA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)NC2CC2)cn1 ZINC001164704639 719857396 /nfs/dbraw/zinc/85/73/96/719857396.db2.gz SCLJQOTZGURDCS-UTKZUKDTSA-N 1 2 402.495 1.207 20 0 HDADLO CCOC(=O)c1ncnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1C ZINC001164706001 719857785 /nfs/dbraw/zinc/85/77/85/719857785.db2.gz VXXIPZBNVHNPRX-FOIQADDNSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(C(=O)OC(C)(C)C)n1 ZINC001164704115 719858839 /nfs/dbraw/zinc/85/88/39/719858839.db2.gz RMZZFWUNDKUKFU-VFNWGFHPSA-N 1 2 420.510 1.665 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C(OC)OC ZINC001164706751 719863520 /nfs/dbraw/zinc/86/35/20/719863520.db2.gz QJMAHUAKGHHUMQ-IERDGZPVSA-N 1 2 407.511 1.914 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)cnc21 ZINC001164701708 719864591 /nfs/dbraw/zinc/86/45/91/719864591.db2.gz GWXVQAOIKVRGTN-VLIAUNLRSA-N 1 2 401.467 1.266 20 0 HDADLO COC(=O)CSc1cccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164700581 719864623 /nfs/dbraw/zinc/86/46/23/719864623.db2.gz DYODVMWMLSHIQK-QRWLVFNGSA-N 1 2 423.535 1.579 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc[nH]c2nc(=S)sc1-2 ZINC001164704443 719865454 /nfs/dbraw/zinc/86/54/54/719865454.db2.gz MBGXBEXIYPIVHW-APPDUMDISA-N 1 2 409.537 1.608 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc[nH]c2nc(=S)sc1-2 ZINC001164704446 719866031 /nfs/dbraw/zinc/86/60/31/719866031.db2.gz MBGXBEXIYPIVHW-PIGZYNQJSA-N 1 2 409.537 1.608 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1nc(C)n2C ZINC001164705023 719866479 /nfs/dbraw/zinc/86/64/79/719866479.db2.gz NBIIIZJXLCQWMV-ORAYPTAESA-N 1 2 422.917 1.558 20 0 HDADLO CCCNC(=O)c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706576 719868280 /nfs/dbraw/zinc/86/82/80/719868280.db2.gz QBGFMVAULGKSOH-HRAATJIYSA-N 1 2 404.511 1.454 20 0 HDADLO COC(=O)c1nc(Cl)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164707804 719873390 /nfs/dbraw/zinc/87/33/90/719873390.db2.gz VNXXOHDGOYXQLI-KZULUSFZSA-N 1 2 412.874 1.149 20 0 HDADLO CCOC(=O)Cc1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164700783 719879222 /nfs/dbraw/zinc/87/92/22/719879222.db2.gz LLEZPGXCCDYWSJ-DYESRHJHSA-N 1 2 405.495 1.420 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc[n+]([O-])c(Cl)c1 ZINC001164699000 719879607 /nfs/dbraw/zinc/87/96/07/719879607.db2.gz GOMPEOFUXAUQKT-PBHICJAKSA-N 1 2 419.856 1.751 20 0 HDADLO Cc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(C)c1Cl ZINC001164708996 719913443 /nfs/dbraw/zinc/91/34/43/719913443.db2.gz OVGBNRLBZYXOEL-UHFFFAOYSA-N 1 2 403.918 1.431 20 0 HDADLO Cc1c[nH+]c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1NCC1CC1 ZINC001164703115 719927874 /nfs/dbraw/zinc/92/78/74/719927874.db2.gz IUGBRAVBVYVLJA-UHFFFAOYSA-N 1 2 424.553 1.291 20 0 HDADLO CSc1nc(C)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164702404 719931119 /nfs/dbraw/zinc/93/11/19/719931119.db2.gz FUVCVEAIUIMCDT-UHFFFAOYSA-N 1 2 401.540 1.191 20 0 HDADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164708590 719937539 /nfs/dbraw/zinc/93/75/39/719937539.db2.gz MATAONDKRDNNNS-UHFFFAOYSA-N 1 2 419.533 1.735 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3)C2)C1 ZINC001164718443 720209260 /nfs/dbraw/zinc/20/92/60/720209260.db2.gz LYBVIKJXCAFPMV-QGZVFWFLSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3)C2)C1 ZINC001164718443 720209267 /nfs/dbraw/zinc/20/92/67/720209267.db2.gz LYBVIKJXCAFPMV-QGZVFWFLSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)nc3)C2)C1 ZINC001164717222 720224502 /nfs/dbraw/zinc/22/45/02/720224502.db2.gz GVECIDYPOLYLMX-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)nc3)C2)C1 ZINC001164717222 720224506 /nfs/dbraw/zinc/22/45/06/720224506.db2.gz GVECIDYPOLYLMX-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(C(=O)OC)cc3Cl)C2)C1 ZINC001164724998 720304803 /nfs/dbraw/zinc/30/48/03/720304803.db2.gz URLLRXZKHCMQTF-FQEVSTJZSA-N 1 2 424.929 1.495 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(C(=O)OC)cc3Cl)C2)C1 ZINC001164724998 720304807 /nfs/dbraw/zinc/30/48/07/720304807.db2.gz URLLRXZKHCMQTF-FQEVSTJZSA-N 1 2 424.929 1.495 20 0 HDADLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164824818 720357352 /nfs/dbraw/zinc/35/73/52/720357352.db2.gz MXMOGETUTFMBIX-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164824818 720357358 /nfs/dbraw/zinc/35/73/58/720357358.db2.gz MXMOGETUTFMBIX-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO CCOc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164824032 720365312 /nfs/dbraw/zinc/36/53/12/720365312.db2.gz HKOFKVLIXKSSAQ-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO CCOc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164824032 720365318 /nfs/dbraw/zinc/36/53/18/720365318.db2.gz HKOFKVLIXKSSAQ-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO COC(=O)c1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828554 720431482 /nfs/dbraw/zinc/43/14/82/720431482.db2.gz XFHARMRWMDHDHQ-MRXNPFEDSA-N 1 2 415.494 1.054 20 0 HDADLO COc1cc(C)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827110 720449825 /nfs/dbraw/zinc/44/98/25/720449825.db2.gz ZDUHTXARGTYYKU-KRWDZBQOSA-N 1 2 401.511 1.585 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3scnc31)C2 ZINC001164829951 720455463 /nfs/dbraw/zinc/45/54/63/720455463.db2.gz IFYRVBJTKNLKMX-HNNXBMFYSA-N 1 2 414.535 1.877 20 0 HDADLO Cc1nc(Cl)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831216 720455861 /nfs/dbraw/zinc/45/58/61/720455861.db2.gz NSLYACKRXUESDM-OAHLLOKOSA-N 1 2 406.918 1.625 20 0 HDADLO COc1ccc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164830064 720457124 /nfs/dbraw/zinc/45/71/24/720457124.db2.gz IWMHMZNXPIWIBD-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO CC(C)Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164829299 720473797 /nfs/dbraw/zinc/47/37/97/720473797.db2.gz FIRBOEODLSHURN-SFHVURJKSA-N 1 2 414.554 1.861 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccco3)nn1)C2 ZINC001164831764 720474540 /nfs/dbraw/zinc/47/45/40/720474540.db2.gz PXBGFAIBMCUTJP-QGZVFWFLSA-N 1 2 424.505 1.923 20 0 HDADLO COc1ccnc(Cl)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833200 720478373 /nfs/dbraw/zinc/47/83/73/720478373.db2.gz NICSLINJSSJARU-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870093 721042327 /nfs/dbraw/zinc/04/23/27/721042327.db2.gz VSLDREQCNRHMAK-CABCVRRESA-N 1 2 423.926 1.408 20 0 HDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870093 721042332 /nfs/dbraw/zinc/04/23/32/721042332.db2.gz VSLDREQCNRHMAK-CABCVRRESA-N 1 2 423.926 1.408 20 0 HDADLO COC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)[nH]cnc-2n1 ZINC001164802489 721535123 /nfs/dbraw/zinc/53/51/23/721535123.db2.gz GMNZUAPNLJGDPY-GBESFXJTSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)[nH]cnc-2n1 ZINC001164802489 721535127 /nfs/dbraw/zinc/53/51/27/721535127.db2.gz GMNZUAPNLJGDPY-GBESFXJTSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(ncnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH]1 ZINC001164802489 721535131 /nfs/dbraw/zinc/53/51/31/721535131.db2.gz GMNZUAPNLJGDPY-GBESFXJTSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(ncnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH]1 ZINC001164802489 721535135 /nfs/dbraw/zinc/53/51/35/721535135.db2.gz GMNZUAPNLJGDPY-GBESFXJTSA-N 1 2 422.489 1.959 20 0 HDADLO CCNS(=O)(=O)c1cccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008603 721707078 /nfs/dbraw/zinc/70/70/78/721707078.db2.gz IGKGISXNOHIHJL-UHFFFAOYSA-N 1 2 407.544 1.222 20 0 HDADLO CCNS(=O)(=O)c1cccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008603 721707080 /nfs/dbraw/zinc/70/70/80/721707080.db2.gz IGKGISXNOHIHJL-UHFFFAOYSA-N 1 2 407.544 1.222 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4nccnc4OC4CCC4)CCO3)C2)c1 ZINC001164914315 721799508 /nfs/dbraw/zinc/79/95/08/721799508.db2.gz LPIIBORAAPQNAB-QFIPXVFZSA-N 1 2 411.506 1.911 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4nccnc4OC4CCC4)CCO3)C2)c1 ZINC001164914315 721799509 /nfs/dbraw/zinc/79/95/09/721799509.db2.gz LPIIBORAAPQNAB-QFIPXVFZSA-N 1 2 411.506 1.911 20 0 HDADLO F[C@@H](Oc1ccc(Cl)nn1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913747 721801522 /nfs/dbraw/zinc/80/15/22/721801522.db2.gz GUCDFISLHOLWNI-MOPGFXCFSA-N 1 2 423.876 1.760 20 0 HDADLO F[C@@H](Oc1ccc(Cl)nn1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913747 721801524 /nfs/dbraw/zinc/80/15/24/721801524.db2.gz GUCDFISLHOLWNI-MOPGFXCFSA-N 1 2 423.876 1.760 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(S(=O)(=O)NC(C)C)cn2)CC1 ZINC001164918704 721818956 /nfs/dbraw/zinc/81/89/56/721818956.db2.gz ROKQZTDSMRINRQ-UHFFFAOYSA-N 1 2 418.567 1.714 20 0 HDADLO COc1cc(OC)nc(CN2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC2)n1 ZINC001165028606 721851022 /nfs/dbraw/zinc/85/10/22/721851022.db2.gz DGDWJTGQPVFQSY-MRXNPFEDSA-N 1 2 413.526 1.842 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C[C@H]1O ZINC000509072309 1073461612 /nfs/dbraw/zinc/46/16/12/1073461612.db2.gz SVVHGEHNCRDPFZ-CRAIPNDOSA-N 1 2 409.552 1.891 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C[C@H]1O ZINC000509072309 1073461616 /nfs/dbraw/zinc/46/16/16/1073461616.db2.gz SVVHGEHNCRDPFZ-CRAIPNDOSA-N 1 2 409.552 1.891 20 0 HDADLO C[C@@H]1C[C@@]2(CCO1)CN(C(=O)C(=O)NCC[NH+]1Cc3ccccc3C1)C[C@H](C)O2 ZINC000671399029 1073507016 /nfs/dbraw/zinc/50/70/16/1073507016.db2.gz QOAACGUCTGRXMN-JLHGSKIFSA-N 1 2 401.507 1.303 20 0 HDADLO C[C@H](c1cccc(NC(=O)Nc2cnn(CC(=O)NCCO)c2)c1)[NH+]1CCOCC1 ZINC000429084040 1073533491 /nfs/dbraw/zinc/53/34/91/1073533491.db2.gz MEPVDDPPYOBLQS-OAHLLOKOSA-N 1 2 416.482 1.029 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000096967209 1073536828 /nfs/dbraw/zinc/53/68/28/1073536828.db2.gz KFONZOJRCWBGKD-MRXNPFEDSA-N 1 2 414.506 1.768 20 0 HDADLO CCCN1C(=O)CC[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)[C@@H]1c1c[nH+]cn1C ZINC000509118582 1073588777 /nfs/dbraw/zinc/58/87/77/1073588777.db2.gz WFJDMDFRYPNFIE-DENIHFKCSA-N 1 2 424.549 1.849 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccn1 ZINC000509123684 1073609673 /nfs/dbraw/zinc/60/96/73/1073609673.db2.gz HJVMPVSXLIUENR-JOCHJYFZSA-N 1 2 414.481 1.937 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccn1 ZINC000509125847 1073620327 /nfs/dbraw/zinc/62/03/27/1073620327.db2.gz MTZOKFJBBUCPAD-OAQYLSRUSA-N 1 2 414.462 1.027 20 0 HDADLO COc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)cc1 ZINC000673673000 1073628075 /nfs/dbraw/zinc/62/80/75/1073628075.db2.gz ORXGKURRYWXLFC-LEWJYISDSA-N 1 2 408.502 1.972 20 0 HDADLO COc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2=O)cc1 ZINC000673673000 1073628081 /nfs/dbraw/zinc/62/80/81/1073628081.db2.gz ORXGKURRYWXLFC-LEWJYISDSA-N 1 2 408.502 1.972 20 0 HDADLO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)CC2 ZINC000673673492 1073628693 /nfs/dbraw/zinc/62/86/93/1073628693.db2.gz VRBQQTCJOBXYBK-IBGZPJMESA-N 1 2 414.531 1.886 20 0 HDADLO CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)CC2 ZINC000673673492 1073628694 /nfs/dbraw/zinc/62/86/94/1073628694.db2.gz VRBQQTCJOBXYBK-IBGZPJMESA-N 1 2 414.531 1.886 20 0 HDADLO CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1nnc2ccccn21 ZINC000673712278 1073652211 /nfs/dbraw/zinc/65/22/11/1073652211.db2.gz SHWSRIBHOFZGDQ-UHFFFAOYSA-N 1 2 408.506 1.310 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CCc3c(C)nc(N4CCOCC4)[nH]c3=O)[nH+]c12 ZINC000673724867 1073657102 /nfs/dbraw/zinc/65/71/02/1073657102.db2.gz QNTAWPIGJPOBNU-UHFFFAOYSA-N 1 2 424.505 1.575 20 0 HDADLO CC(=O)N1CC=C(c2ccc(OS(=O)(=O)CCC[NH+]3CCOCC3)cc2)CC1 ZINC000766026256 1073672437 /nfs/dbraw/zinc/67/24/37/1073672437.db2.gz FSFIQOMOGKBVBL-UHFFFAOYSA-N 1 2 408.520 1.753 20 0 HDADLO Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c2ccccc21 ZINC001004761148 1073678203 /nfs/dbraw/zinc/67/82/03/1073678203.db2.gz RFWPRFQCSKPXLW-OREGDWJXSA-N 1 2 404.474 1.962 20 0 HDADLO Cn1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c2ccccc21 ZINC001004761148 1073678209 /nfs/dbraw/zinc/67/82/09/1073678209.db2.gz RFWPRFQCSKPXLW-OREGDWJXSA-N 1 2 404.474 1.962 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000509129179 1073680024 /nfs/dbraw/zinc/68/00/24/1073680024.db2.gz UWWLIMADKNDIAP-JOCHJYFZSA-N 1 2 407.474 1.952 20 0 HDADLO Cc1cccn2cc(CCNC(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C3CC3)[nH+]c12 ZINC000673747672 1073681242 /nfs/dbraw/zinc/68/12/42/1073681242.db2.gz URFFPBXFVFFCBI-UHFFFAOYSA-N 1 2 404.430 1.761 20 0 HDADLO COC(=O)c1sc2nc(C)nc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)c2c1C ZINC000028800770 1073693596 /nfs/dbraw/zinc/69/35/96/1073693596.db2.gz ZXVWCYBCYONNMZ-GFCCVEGCSA-N 1 2 417.535 1.884 20 0 HDADLO O=C(Nc1cc(Br)ccc1F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781631 1073715706 /nfs/dbraw/zinc/71/57/06/1073715706.db2.gz BUUWRBXBBSINJG-ZDUSSCGKSA-N 1 2 414.275 1.850 20 0 HDADLO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000673782231 1073718778 /nfs/dbraw/zinc/71/87/78/1073718778.db2.gz AMXFCBDNFOZFFB-OAHLLOKOSA-N 1 2 422.913 1.304 20 0 HDADLO O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781728 1073720591 /nfs/dbraw/zinc/72/05/91/1073720591.db2.gz GAJPEZWZSLGRLX-VQTJNVASSA-N 1 2 417.506 1.506 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000673785555 1073727005 /nfs/dbraw/zinc/72/70/05/1073727005.db2.gz SUBMPZCIPUCDCC-QGZVFWFLSA-N 1 2 402.495 1.006 20 0 HDADLO O=C(Nc1cccnc1OCc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785585 1073727475 /nfs/dbraw/zinc/72/74/75/1073727475.db2.gz UGDGLOTUWCEOMT-LJQANCHMSA-N 1 2 424.501 1.922 20 0 HDADLO Cc1ccnc(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)c2)n1 ZINC000673785610 1073727695 /nfs/dbraw/zinc/72/76/95/1073727695.db2.gz VFDLVYTXFOMPRE-IBGZPJMESA-N 1 2 409.490 1.714 20 0 HDADLO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785227 1073727744 /nfs/dbraw/zinc/72/77/44/1073727744.db2.gz ZZKNDUVEDIVJKO-MRXNPFEDSA-N 1 2 413.478 1.148 20 0 HDADLO O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785100 1073728883 /nfs/dbraw/zinc/72/88/83/1073728883.db2.gz NUZQZGQFLSSJMI-KRWDZBQOSA-N 1 2 405.470 1.876 20 0 HDADLO O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785161 1073729389 /nfs/dbraw/zinc/72/93/89/1073729389.db2.gz ONDIJKAFJVNMEX-ZDUSSCGKSA-N 1 2 401.385 1.689 20 0 HDADLO Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784842 1073729957 /nfs/dbraw/zinc/72/99/57/1073729957.db2.gz LJVKIWKMXPHMMA-LJQANCHMSA-N 1 2 400.523 1.857 20 0 HDADLO CN(Cc1nccs1)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000673786183 1073731894 /nfs/dbraw/zinc/73/18/94/1073731894.db2.gz HEPQIMUWKCZDBQ-UHFFFAOYSA-N 1 2 401.492 1.128 20 0 HDADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673777233 1073733462 /nfs/dbraw/zinc/73/34/62/1073733462.db2.gz MNACOIPQUJNVHL-QGZVFWFLSA-N 1 2 400.527 1.427 20 0 HDADLO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000429137908 1073747273 /nfs/dbraw/zinc/74/72/73/1073747273.db2.gz UMJMJCZELKFBKI-OAHLLOKOSA-N 1 2 415.943 1.750 20 0 HDADLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)C1=O ZINC000766031836 1073749011 /nfs/dbraw/zinc/74/90/11/1073749011.db2.gz OPJQTRLPLJDVTL-FOIQADDNSA-N 1 2 405.499 1.588 20 0 HDADLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)C1=O ZINC000766031836 1073749016 /nfs/dbraw/zinc/74/90/16/1073749016.db2.gz OPJQTRLPLJDVTL-FOIQADDNSA-N 1 2 405.499 1.588 20 0 HDADLO O=C(CCNC(=O)c1cncn1-c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000216350068 1073790346 /nfs/dbraw/zinc/79/03/46/1073790346.db2.gz AFDOVXIDISVJTQ-UHFFFAOYSA-N 1 2 422.464 1.875 20 0 HDADLO Cc1nc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000673836711 1073809914 /nfs/dbraw/zinc/80/99/14/1073809914.db2.gz VKEUIZRTQXIQHW-UHFFFAOYSA-N 1 2 404.316 1.546 20 0 HDADLO O=C(Nc1cccnc1)c1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000766039008 1073836286 /nfs/dbraw/zinc/83/62/86/1073836286.db2.gz ACZHFWSZRBVLFJ-UHFFFAOYSA-N 1 2 405.476 1.765 20 0 HDADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)c1nnnn1-c1ccccc1 ZINC000543500551 1073868465 /nfs/dbraw/zinc/86/84/65/1073868465.db2.gz PQBHIELDUSRQSG-CVEARBPZSA-N 1 2 422.489 1.832 20 0 HDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429158217 1073868523 /nfs/dbraw/zinc/86/85/23/1073868523.db2.gz XDRRGKQNEDTDCU-CABCVRRESA-N 1 2 415.515 1.895 20 0 HDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429158217 1073868536 /nfs/dbraw/zinc/86/85/36/1073868536.db2.gz XDRRGKQNEDTDCU-CABCVRRESA-N 1 2 415.515 1.895 20 0 HDADLO CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000673906567 1073879426 /nfs/dbraw/zinc/87/94/26/1073879426.db2.gz QKQKAWZCUJPGDL-KRWDZBQOSA-N 1 2 408.524 1.165 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000509185326 1073982495 /nfs/dbraw/zinc/98/24/95/1073982495.db2.gz KOYVCSWIQJEKRX-UHFFFAOYSA-N 1 2 422.532 1.843 20 0 HDADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000543524510 1073998835 /nfs/dbraw/zinc/99/88/35/1073998835.db2.gz MISZXZCOTWDFAZ-IBGZPJMESA-N 1 2 409.490 1.368 20 0 HDADLO CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H]1COc2ccccc2O1 ZINC000031173477 1074014228 /nfs/dbraw/zinc/01/42/28/1074014228.db2.gz PJMNZWUXGLCKGV-HNNXBMFYSA-N 1 2 405.476 1.434 20 0 HDADLO CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C[C@H]1COc2ccccc2O1 ZINC000031173477 1074014232 /nfs/dbraw/zinc/01/42/32/1074014232.db2.gz PJMNZWUXGLCKGV-HNNXBMFYSA-N 1 2 405.476 1.434 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c1C ZINC000543528243 1074014263 /nfs/dbraw/zinc/01/42/63/1074014263.db2.gz NADPVHRLHCQXJZ-UHFFFAOYSA-N 1 2 413.413 1.419 20 0 HDADLO COc1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1OC(F)F ZINC000014731106 1074025139 /nfs/dbraw/zinc/02/51/39/1074025139.db2.gz DLELWECROIYKAE-UHFFFAOYSA-N 1 2 418.404 1.936 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCC[N@H+](C)C3CCCCC3)s[nH]2)c1 ZINC000543536192 1074038330 /nfs/dbraw/zinc/03/83/30/1074038330.db2.gz YZPBMIFWOXVZTN-UHFFFAOYSA-N 1 2 417.535 1.955 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCC[N@@H+](C)C3CCCCC3)s[nH]2)c1 ZINC000543536192 1074038338 /nfs/dbraw/zinc/03/83/38/1074038338.db2.gz YZPBMIFWOXVZTN-UHFFFAOYSA-N 1 2 417.535 1.955 20 0 HDADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058577988 1074041142 /nfs/dbraw/zinc/04/11/42/1074041142.db2.gz ZICAFRYYDDNAAG-QGZVFWFLSA-N 1 2 413.440 1.683 20 0 HDADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058577988 1074041150 /nfs/dbraw/zinc/04/11/50/1074041150.db2.gz ZICAFRYYDDNAAG-QGZVFWFLSA-N 1 2 413.440 1.683 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@H](CCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766048554 1074041469 /nfs/dbraw/zinc/04/14/69/1074041469.db2.gz KVBFUJQQGZRXNH-QGZVFWFLSA-N 1 2 419.588 1.665 20 0 HDADLO O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000466601800 1074065839 /nfs/dbraw/zinc/06/58/39/1074065839.db2.gz OSJGEGUIKHKVOV-PLACYPQZSA-N 1 2 412.534 1.650 20 0 HDADLO Cc1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC[C@H]2CCCO2)c1 ZINC000466601503 1074066342 /nfs/dbraw/zinc/06/63/42/1074066342.db2.gz QWVJSXVDKADARB-WOJBJXKFSA-N 1 2 421.538 1.387 20 0 HDADLO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(-c2ccccc2)nn1 ZINC000543549667 1074068366 /nfs/dbraw/zinc/06/83/66/1074068366.db2.gz UZWABACSHFJNQN-INIZCTEOSA-N 1 2 408.462 1.496 20 0 HDADLO Cc1cc(-c2noc([C@@H](C)[NH2+]CCNS(=O)(=O)c3cnn(C)c3)n2)ccc1F ZINC000543549976 1074072558 /nfs/dbraw/zinc/07/25/58/1074072558.db2.gz ZVMYDFYLJIJWLI-GFCCVEGCSA-N 1 2 408.459 1.547 20 0 HDADLO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429203398 1074075425 /nfs/dbraw/zinc/07/54/25/1074075425.db2.gz LXXMJSNMOZQHSU-OAHLLOKOSA-N 1 2 405.480 1.041 20 0 HDADLO NC(=O)CSc1nnc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000026109320 1074077636 /nfs/dbraw/zinc/07/76/36/1074077636.db2.gz OBOUABWHFXRFMX-UHFFFAOYSA-N 1 2 423.589 1.552 20 0 HDADLO Cc1cn2cc(CC(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)nc2s1 ZINC001626093833 1074080135 /nfs/dbraw/zinc/08/01/35/1074080135.db2.gz ORWPTFXCKWPSRN-UHFFFAOYSA-N 1 2 412.519 1.497 20 0 HDADLO CCc1ccc(S(=O)(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000674024795 1074083385 /nfs/dbraw/zinc/08/33/85/1074083385.db2.gz RKZITXRHILIBMX-QGZVFWFLSA-N 1 2 402.582 1.769 20 0 HDADLO CC(C)(CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)S(C)(=O)=O ZINC000674031069 1074090250 /nfs/dbraw/zinc/09/02/50/1074090250.db2.gz XNULRZWGMMYLQQ-UHFFFAOYSA-N 1 2 403.589 1.923 20 0 HDADLO CC(C)(CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)S(C)(=O)=O ZINC000674031069 1074090261 /nfs/dbraw/zinc/09/02/61/1074090261.db2.gz XNULRZWGMMYLQQ-UHFFFAOYSA-N 1 2 403.589 1.923 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000543555907 1074092395 /nfs/dbraw/zinc/09/23/95/1074092395.db2.gz YKMTWGBYTSVGME-WFASDCNBSA-N 1 2 415.275 1.635 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000543555907 1074092403 /nfs/dbraw/zinc/09/24/03/1074092403.db2.gz YKMTWGBYTSVGME-WFASDCNBSA-N 1 2 415.275 1.635 20 0 HDADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000543560247 1074105289 /nfs/dbraw/zinc/10/52/89/1074105289.db2.gz ZPOZGDPWJRWFCL-INIZCTEOSA-N 1 2 412.328 1.303 20 0 HDADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000543560247 1074105295 /nfs/dbraw/zinc/10/52/95/1074105295.db2.gz ZPOZGDPWJRWFCL-INIZCTEOSA-N 1 2 412.328 1.303 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000766055360 1074124264 /nfs/dbraw/zinc/12/42/64/1074124264.db2.gz TYWUCBFAXYRAIU-OAHLLOKOSA-N 1 2 412.430 1.260 20 0 HDADLO Cc1cccc(C[C@H](CO)NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000466616981 1074126451 /nfs/dbraw/zinc/12/64/51/1074126451.db2.gz PFSLECXQXIDCMT-LJQANCHMSA-N 1 2 411.506 1.503 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000032236266 1074138106 /nfs/dbraw/zinc/13/81/06/1074138106.db2.gz WNLZYIKJUNVNFG-UHFFFAOYSA-N 1 2 408.458 1.491 20 0 HDADLO COCCN1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214381 1074156596 /nfs/dbraw/zinc/15/65/96/1074156596.db2.gz ZSXSYQOSEYLIKC-AEFFLSMTSA-N 1 2 412.893 1.725 20 0 HDADLO COCCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214381 1074156597 /nfs/dbraw/zinc/15/65/97/1074156597.db2.gz ZSXSYQOSEYLIKC-AEFFLSMTSA-N 1 2 412.893 1.725 20 0 HDADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674164919 1074198077 /nfs/dbraw/zinc/19/80/77/1074198077.db2.gz SGJKEZODURJXSV-DLBZAZTESA-N 1 2 405.524 1.427 20 0 HDADLO Cc1nc(COc2ccc(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)no1 ZINC000674202039 1074217099 /nfs/dbraw/zinc/21/70/99/1074217099.db2.gz KNWBGNODDDNGKK-MRXNPFEDSA-N 1 2 410.434 1.956 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674201732 1074217127 /nfs/dbraw/zinc/21/71/27/1074217127.db2.gz CSHFYIWJNQJITQ-ZDUSSCGKSA-N 1 2 423.470 1.075 20 0 HDADLO O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202809 1074217491 /nfs/dbraw/zinc/21/74/91/1074217491.db2.gz VQSFKHXZHRXGIN-MRXNPFEDSA-N 1 2 421.457 1.691 20 0 HDADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000674202483 1074218504 /nfs/dbraw/zinc/21/85/04/1074218504.db2.gz VQTLACOEAUCLNX-NSHDSACASA-N 1 2 409.355 1.804 20 0 HDADLO C[C@H](c1ccccc1)[C@@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000674215441 1074228798 /nfs/dbraw/zinc/22/87/98/1074228798.db2.gz HQCQNPXWHLGDPM-XMSQKQJNSA-N 1 2 424.545 1.653 20 0 HDADLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000674324182 1074272735 /nfs/dbraw/zinc/27/27/35/1074272735.db2.gz VMKBUKKCVJKHSL-UHFFFAOYSA-N 1 2 423.579 1.474 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(Br)cc1F ZINC000674367954 1074296772 /nfs/dbraw/zinc/29/67/72/1074296772.db2.gz DMNNFUCHDHMIQN-HNNXBMFYSA-N 1 2 403.292 1.672 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC000674368743 1074298539 /nfs/dbraw/zinc/29/85/39/1074298539.db2.gz UFTPUZGZECEYMA-SNVBAGLBSA-N 1 2 403.357 1.317 20 0 HDADLO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1noc(Cc2ccccc2)n1 ZINC000674390015 1074307781 /nfs/dbraw/zinc/30/77/81/1074307781.db2.gz RZMCLSUDTJTZHD-NVXWUHKLSA-N 1 2 408.462 1.898 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000674395977 1074309770 /nfs/dbraw/zinc/30/97/70/1074309770.db2.gz IVIXUSMGGURNIY-VQIMIIECSA-N 1 2 410.946 1.501 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1=O ZINC000674424423 1074327789 /nfs/dbraw/zinc/32/77/89/1074327789.db2.gz QRPFFEDFLHHZNU-DYESRHJHSA-N 1 2 410.478 1.451 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000674427802 1074330754 /nfs/dbraw/zinc/33/07/54/1074330754.db2.gz RPBGHQIXEOVRSQ-JLTOFOAXSA-N 1 2 400.483 1.070 20 0 HDADLO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 ZINC000674469561 1074368482 /nfs/dbraw/zinc/36/84/82/1074368482.db2.gz GNYIXSYYKBDQAO-UPXOEVQQSA-N 1 2 403.479 1.436 20 0 HDADLO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 ZINC000674469561 1074368492 /nfs/dbraw/zinc/36/84/92/1074368492.db2.gz GNYIXSYYKBDQAO-UPXOEVQQSA-N 1 2 403.479 1.436 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@H](c3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674470573 1074369648 /nfs/dbraw/zinc/36/96/48/1074369648.db2.gz ZCBAZHMOLZEBDT-MJGOQNOKSA-N 1 2 400.479 1.231 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674470573 1074369654 /nfs/dbraw/zinc/36/96/54/1074369654.db2.gz ZCBAZHMOLZEBDT-MJGOQNOKSA-N 1 2 400.479 1.231 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@@H](C)c3cc(OC)c(OC)cc3C)CCN2C1=O ZINC000674501625 1074397921 /nfs/dbraw/zinc/39/79/21/1074397921.db2.gz OEENJHOYOQOOEF-GOEBONIOSA-N 1 2 418.494 1.158 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@@H](C)c3cc(OC)c(OC)cc3C)CCN2C1=O ZINC000674501625 1074397926 /nfs/dbraw/zinc/39/79/26/1074397926.db2.gz OEENJHOYOQOOEF-GOEBONIOSA-N 1 2 418.494 1.158 20 0 HDADLO O=C(C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)N1CCN(c2cnccn2)CC1 ZINC000674498335 1074408638 /nfs/dbraw/zinc/40/86/38/1074408638.db2.gz XJWHWCFDBOJNGI-TXEJJXNPSA-N 1 2 411.350 1.798 20 0 HDADLO O=C(C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)N1CCN(c2cnccn2)CC1 ZINC000674498335 1074408641 /nfs/dbraw/zinc/40/86/41/1074408641.db2.gz XJWHWCFDBOJNGI-TXEJJXNPSA-N 1 2 411.350 1.798 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1=O ZINC000674581492 1074457821 /nfs/dbraw/zinc/45/78/21/1074457821.db2.gz RIQPJSYLDUJOCI-FVJLSDCUSA-N 1 2 416.547 1.613 20 0 HDADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000674755675 1074548438 /nfs/dbraw/zinc/54/84/38/1074548438.db2.gz VYHCPDLYQRVNLE-HNNXBMFYSA-N 1 2 421.494 1.963 20 0 HDADLO C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000766067786 1074549589 /nfs/dbraw/zinc/54/95/89/1074549589.db2.gz XFYTXRAJMIOATP-YJBOKZPZSA-N 1 2 405.474 1.988 20 0 HDADLO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000674793522 1074568685 /nfs/dbraw/zinc/56/86/85/1074568685.db2.gz XEFRLHAPXQDTDT-QAPCUYQASA-N 1 2 418.538 1.897 20 0 HDADLO CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000674819819 1074585170 /nfs/dbraw/zinc/58/51/70/1074585170.db2.gz DDVJKYMXDXNANK-UXHICEINSA-N 1 2 414.550 1.424 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN3CCO[C@H]([C@H]4CCCO4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000674913519 1074618349 /nfs/dbraw/zinc/61/83/49/1074618349.db2.gz BQDVOCLGZZFHOA-MOPGFXCFSA-N 1 2 417.554 1.437 20 0 HDADLO O=C(COc1cccc(Br)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518728625 1074660980 /nfs/dbraw/zinc/66/09/80/1074660980.db2.gz NAWGPEIQGOFJHU-UHFFFAOYSA-N 1 2 409.284 1.995 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1)[NH+]1CCOCC1 ZINC000674996780 1074672613 /nfs/dbraw/zinc/67/26/13/1074672613.db2.gz KLHXNGXPVCKCKO-NSISKUIASA-N 1 2 417.506 1.425 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)CCN2C1=O ZINC000675104811 1074720380 /nfs/dbraw/zinc/72/03/80/1074720380.db2.gz LZOFPBUQSINRKG-UKRRQHHQSA-N 1 2 420.539 1.875 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)CCN2C1=O ZINC000675104811 1074720394 /nfs/dbraw/zinc/72/03/94/1074720394.db2.gz LZOFPBUQSINRKG-UKRRQHHQSA-N 1 2 420.539 1.875 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)ccn2)CC1 ZINC000543614500 1074723853 /nfs/dbraw/zinc/72/38/53/1074723853.db2.gz DTIWWSIIMQYFJW-SJLPKXTDSA-N 1 2 403.527 1.730 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@@H](C4CCOCC4)C3)ccn2)CC1 ZINC000543614368 1074725578 /nfs/dbraw/zinc/72/55/78/1074725578.db2.gz MUMQYAGZELGAGJ-QGZVFWFLSA-N 1 2 401.511 1.750 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000559866606 1074729943 /nfs/dbraw/zinc/72/99/43/1074729943.db2.gz ZKLMNGWMRGRJAF-CYBMUJFWSA-N 1 2 424.427 2.148 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCNC(=O)[C@H]3c3ccccc3)ccn2)CC1 ZINC000543615117 1074739499 /nfs/dbraw/zinc/73/94/99/1074739499.db2.gz RDHVDOAMDQTLHE-LJQANCHMSA-N 1 2 422.489 1.174 20 0 HDADLO O=C(c1ccco1)N1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218983 1074760007 /nfs/dbraw/zinc/76/00/07/1074760007.db2.gz PXZSYNDJZFNTRI-UXHICEINSA-N 1 2 409.486 1.780 20 0 HDADLO CC(C)C[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000675219554 1074762231 /nfs/dbraw/zinc/76/22/31/1074762231.db2.gz YDDUTFVQZQTMFV-NCXUSEDFSA-N 1 2 403.523 1.285 20 0 HDADLO CC(C)C[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000675219555 1074762356 /nfs/dbraw/zinc/76/23/56/1074762356.db2.gz YDDUTFVQZQTMFV-YDZRNGNQSA-N 1 2 403.523 1.285 20 0 HDADLO O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000675219321 1074762751 /nfs/dbraw/zinc/76/27/51/1074762751.db2.gz ORRAQESTMLLDRO-QGZVFWFLSA-N 1 2 407.461 1.750 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000675251361 1074778119 /nfs/dbraw/zinc/77/81/19/1074778119.db2.gz OXDCUKPAFZDQEJ-GOSISDBHSA-N 1 2 405.524 1.754 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000675251361 1074778131 /nfs/dbraw/zinc/77/81/31/1074778131.db2.gz OXDCUKPAFZDQEJ-GOSISDBHSA-N 1 2 405.524 1.754 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675258097 1074779459 /nfs/dbraw/zinc/77/94/59/1074779459.db2.gz SSARXTIUUKLWGZ-YZVOILCLSA-N 1 2 418.519 1.862 20 0 HDADLO CCOc1ccc(C(=O)N[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000675282093 1074786121 /nfs/dbraw/zinc/78/61/21/1074786121.db2.gz ZZVHDYBEKPUAAE-ICSRJNTNSA-N 1 2 403.523 1.773 20 0 HDADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675281807 1074786484 /nfs/dbraw/zinc/78/64/84/1074786484.db2.gz UGBDTLUBEGURSS-FUHWJXTLSA-N 1 2 421.925 1.886 20 0 HDADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000675281430 1074786891 /nfs/dbraw/zinc/78/68/91/1074786891.db2.gz QQAFKXFMNDAHRG-MJGOQNOKSA-N 1 2 409.552 1.231 20 0 HDADLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606016575 1074805199 /nfs/dbraw/zinc/80/51/99/1074805199.db2.gz OTLXIIPEXUKYNQ-UHFFFAOYSA-N 1 2 415.457 1.826 20 0 HDADLO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000675397761 1075124293 /nfs/dbraw/zinc/12/42/93/1075124293.db2.gz RCDHKTQZGPTGIT-PKOBYXMFSA-N 1 2 411.506 1.754 20 0 HDADLO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429250480 1075125341 /nfs/dbraw/zinc/12/53/41/1075125341.db2.gz APIGDFLURQMZNJ-CYBMUJFWSA-N 1 2 406.512 1.336 20 0 HDADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1)[NH+]1CCOCC1 ZINC000675396697 1075125994 /nfs/dbraw/zinc/12/59/94/1075125994.db2.gz JQAWYRCPHVMUBQ-HKUYNNGSSA-N 1 2 413.522 1.904 20 0 HDADLO Cc1cc(NC(=O)CSCC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)no1 ZINC000431882437 1075135908 /nfs/dbraw/zinc/13/59/08/1075135908.db2.gz NUAAGCXDYNTKCE-UHFFFAOYSA-N 1 2 405.480 1.833 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000483700190 1075149044 /nfs/dbraw/zinc/14/90/44/1075149044.db2.gz OWVCACCSEGAIDX-FUHWJXTLSA-N 1 2 421.448 1.698 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000483700190 1075149046 /nfs/dbraw/zinc/14/90/46/1075149046.db2.gz OWVCACCSEGAIDX-FUHWJXTLSA-N 1 2 421.448 1.698 20 0 HDADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](n2ccnn2)C1 ZINC001129004878 1075160722 /nfs/dbraw/zinc/16/07/22/1075160722.db2.gz ZNFOEGACPDMZJG-ZRSRNVLSSA-N 1 2 400.527 1.089 20 0 HDADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](n2ccnn2)C1 ZINC001129004878 1075160724 /nfs/dbraw/zinc/16/07/24/1075160724.db2.gz ZNFOEGACPDMZJG-ZRSRNVLSSA-N 1 2 400.527 1.089 20 0 HDADLO O=C(Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429352638 1075171217 /nfs/dbraw/zinc/17/12/17/1075171217.db2.gz IDFDSEUPGJKTIQ-SFHVURJKSA-N 1 2 422.489 1.833 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)[nH+]c12 ZINC000675514646 1075181073 /nfs/dbraw/zinc/18/10/73/1075181073.db2.gz OWVNVKSPQMEJCK-UHFFFAOYSA-N 1 2 405.458 1.568 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000448497407 1075184632 /nfs/dbraw/zinc/18/46/32/1075184632.db2.gz VBJRBSUQQLEABL-GOSISDBHSA-N 1 2 415.469 1.657 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000550911856 1075185763 /nfs/dbraw/zinc/18/57/63/1075185763.db2.gz APGVSYRNIRNGIS-ACBHZAAOSA-N 1 2 406.527 1.908 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000571961821 1075186509 /nfs/dbraw/zinc/18/65/09/1075186509.db2.gz NVQPNNCMVHXREX-LJQANCHMSA-N 1 2 410.522 1.884 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000558765336 1075187760 /nfs/dbraw/zinc/18/77/60/1075187760.db2.gz PGAUZOGOPWJFMD-HXUWFJFHSA-N 1 2 405.449 2.457 20 0 HDADLO COCCn1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000439167075 1075207947 /nfs/dbraw/zinc/20/79/47/1075207947.db2.gz JUVQHRKGQYIUEK-PKOBYXMFSA-N 1 2 408.462 1.710 20 0 HDADLO CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(C3N=NC(=O)N3CC)CC2)c1 ZINC000675583489 1075212870 /nfs/dbraw/zinc/21/28/70/1075212870.db2.gz JZFYQTLFJKLWCA-UHFFFAOYSA-N 1 2 400.483 1.571 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675588105 1075226355 /nfs/dbraw/zinc/22/63/55/1075226355.db2.gz QBCSTISDANECMI-GOSISDBHSA-N 1 2 412.494 1.702 20 0 HDADLO O=C(N[C@H]1CCC(F)(F)C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675662201 1075251027 /nfs/dbraw/zinc/25/10/27/1075251027.db2.gz BKYPCLJAYGHSFY-LSDHHAIUSA-N 1 2 410.469 1.769 20 0 HDADLO O=C(N[C@H]1CCC(F)(F)C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675662201 1075251032 /nfs/dbraw/zinc/25/10/32/1075251032.db2.gz BKYPCLJAYGHSFY-LSDHHAIUSA-N 1 2 410.469 1.769 20 0 HDADLO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)[C@H]1C(C)C ZINC000429370471 1075251458 /nfs/dbraw/zinc/25/14/58/1075251458.db2.gz DVLMSZSJTTZILW-LNLFQRSKSA-N 1 2 414.568 1.464 20 0 HDADLO COC(=O)[C@H]1CC[N@@H+](CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)[C@H]1C(C)C ZINC000429370471 1075251461 /nfs/dbraw/zinc/25/14/61/1075251461.db2.gz DVLMSZSJTTZILW-LNLFQRSKSA-N 1 2 414.568 1.464 20 0 HDADLO Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)CO2 ZINC000675701488 1075255384 /nfs/dbraw/zinc/25/53/84/1075255384.db2.gz ORSLALNKCLQKKO-IBGZPJMESA-N 1 2 422.485 1.571 20 0 HDADLO O=C(Nc1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675702115 1075256832 /nfs/dbraw/zinc/25/68/32/1075256832.db2.gz SIDJCLJQWTVEEN-DLBZAZTESA-N 1 2 403.479 1.546 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCN(CC(F)F)CC1 ZINC000675773217 1075269143 /nfs/dbraw/zinc/26/91/43/1075269143.db2.gz NZONTNAUGKNNTR-UHFFFAOYSA-N 1 2 409.481 1.356 20 0 HDADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000470355620 1075271878 /nfs/dbraw/zinc/27/18/78/1075271878.db2.gz PSHAKLGGCMNBBC-OAHLLOKOSA-N 1 2 416.482 1.833 20 0 HDADLO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000509365415 1075272110 /nfs/dbraw/zinc/27/21/10/1075272110.db2.gz JTDKBUVLTCVRRX-UHFFFAOYSA-N 1 2 404.536 1.556 20 0 HDADLO Cc1ccc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000446769529 1075274079 /nfs/dbraw/zinc/27/40/79/1075274079.db2.gz QHHSVJDQSBJELQ-SFHVURJKSA-N 1 2 413.522 1.990 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675811401 1075275189 /nfs/dbraw/zinc/27/51/89/1075275189.db2.gz RULAOJXOUQEREG-XLIONFOSSA-N 1 2 410.584 1.427 20 0 HDADLO C[C@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000675812439 1075275528 /nfs/dbraw/zinc/27/55/28/1075275528.db2.gz WLYDVFXGDVKBQX-QAPCUYQASA-N 1 2 405.520 1.802 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)c1C ZINC000576314120 1075276851 /nfs/dbraw/zinc/27/68/51/1075276851.db2.gz FASPTNKXGXLFBS-UHFFFAOYSA-N 1 2 400.483 2.401 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCCN3c3ncccn3)CC2)c1 ZINC000675926127 1075292838 /nfs/dbraw/zinc/29/28/38/1075292838.db2.gz OOZJMHNDMZVVES-HXUWFJFHSA-N 1 2 411.506 1.677 20 0 HDADLO CC(=O)[C@@H]1CC(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)=NN1c1ccccc1 ZINC000731334971 1075307711 /nfs/dbraw/zinc/30/77/11/1075307711.db2.gz DMBSHCLHDGFHLX-IBGZPJMESA-N 1 2 410.478 1.378 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000731335242 1075308177 /nfs/dbraw/zinc/30/81/77/1075308177.db2.gz DZTMTFODAUWSNX-UHFFFAOYSA-N 1 2 410.478 1.332 20 0 HDADLO C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731353002 1075315755 /nfs/dbraw/zinc/31/57/55/1075315755.db2.gz GWXKUMUXNTUTHI-INIZCTEOSA-N 1 2 401.467 1.469 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000804076359 1075337576 /nfs/dbraw/zinc/33/75/76/1075337576.db2.gz GGXBALGFIWTTIS-QZTJIDSGSA-N 1 2 402.882 1.792 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000804076359 1075337579 /nfs/dbraw/zinc/33/75/79/1075337579.db2.gz GGXBALGFIWTTIS-QZTJIDSGSA-N 1 2 402.882 1.792 20 0 HDADLO Cc1cc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2ccccc2n1 ZINC000509382510 1075362059 /nfs/dbraw/zinc/36/20/59/1075362059.db2.gz ASDDLFQCKCDBPZ-UHFFFAOYSA-N 1 2 403.552 1.153 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000804086512 1075372096 /nfs/dbraw/zinc/37/20/96/1075372096.db2.gz YLJKGWVPYFWCGA-CQSZACIVSA-N 1 2 401.536 1.820 20 0 HDADLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731531274 1075376554 /nfs/dbraw/zinc/37/65/54/1075376554.db2.gz ONIKBEWMLPEOSP-OAHLLOKOSA-N 1 2 407.430 1.645 20 0 HDADLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731531274 1075376560 /nfs/dbraw/zinc/37/65/60/1075376560.db2.gz ONIKBEWMLPEOSP-OAHLLOKOSA-N 1 2 407.430 1.645 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)CC1 ZINC000676102704 1075382752 /nfs/dbraw/zinc/38/27/52/1075382752.db2.gz BXBUGYZSBKCDDY-CQSZACIVSA-N 1 2 408.449 1.707 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc4ncccc4c3)CC2)C[C@@H](C)O1 ZINC000509386006 1075388351 /nfs/dbraw/zinc/38/83/51/1075388351.db2.gz KQTSIWVEYXSCRQ-IAGOWNOFSA-N 1 2 404.536 1.706 20 0 HDADLO CCS(=O)(=O)N1CCC(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000541720545 1075390230 /nfs/dbraw/zinc/39/02/30/1075390230.db2.gz MWDHZJUMDMJWAA-UHFFFAOYSA-N 1 2 417.535 1.941 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)n2)cc1 ZINC000426946422 1075404254 /nfs/dbraw/zinc/40/42/54/1075404254.db2.gz VIWRSFZKDCOJFD-QGZVFWFLSA-N 1 2 420.473 1.669 20 0 HDADLO Cc1ccc(-c2csc(C[NH2+][C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n2)cc1 ZINC000509388074 1075417282 /nfs/dbraw/zinc/41/72/82/1075417282.db2.gz OPPZVUCOONQFRF-QZTJIDSGSA-N 1 2 407.561 1.706 20 0 HDADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731648447 1075426239 /nfs/dbraw/zinc/42/62/39/1075426239.db2.gz FQXNMMBBACMKRU-RDTXWAMCSA-N 1 2 407.536 1.520 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000731648387 1075426891 /nfs/dbraw/zinc/42/68/91/1075426891.db2.gz NEUDFFUTBANBBF-UHFFFAOYSA-N 1 2 416.547 1.600 20 0 HDADLO C[C@@H]1Sc2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2NC1=O ZINC000731648228 1075427294 /nfs/dbraw/zinc/42/72/94/1075427294.db2.gz IHWLIWIWPBIRDQ-LBPRGKRZSA-N 1 2 411.549 1.358 20 0 HDADLO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731649123 1075429541 /nfs/dbraw/zinc/42/95/41/1075429541.db2.gz ZTLUMEJRBVVWTD-UHFFFAOYSA-N 1 2 418.563 1.657 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000731650455 1075430952 /nfs/dbraw/zinc/43/09/52/1075430952.db2.gz DWJZCQVXRQOYDH-UHFFFAOYSA-N 1 2 419.503 1.771 20 0 HDADLO COc1ccc(S[C@@H](C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650348 1075431302 /nfs/dbraw/zinc/43/13/02/1075431302.db2.gz DXCKZSCVYKQRPB-AWEZNQCLSA-N 1 2 400.566 1.801 20 0 HDADLO CCCc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[nH]c(C)c1C(=O)OC ZINC000731650343 1075431490 /nfs/dbraw/zinc/43/14/90/1075431490.db2.gz DQAHVHRKMJWDRL-UHFFFAOYSA-N 1 2 413.540 1.301 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000731650144 1075432573 /nfs/dbraw/zinc/43/25/73/1075432573.db2.gz DIUHKOYQAXEKJA-UHFFFAOYSA-N 1 2 410.927 1.969 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000731649782 1075432588 /nfs/dbraw/zinc/43/25/88/1075432588.db2.gz ZJVPHSOLEQOWAH-HYXAFXHYSA-N 1 2 405.314 1.681 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000731650974 1075434955 /nfs/dbraw/zinc/43/49/55/1075434955.db2.gz NZUJYEDZFOGOBA-LJQANCHMSA-N 1 2 410.536 1.483 20 0 HDADLO Cc1cc2nc(C)c(CCC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c(C)n2n1 ZINC000731650576 1075435750 /nfs/dbraw/zinc/43/57/50/1075435750.db2.gz UUMXQPCLHYYYST-UHFFFAOYSA-N 1 2 421.567 1.212 20 0 HDADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000946896728 1075438939 /nfs/dbraw/zinc/43/89/39/1075438939.db2.gz NXJYZIACNCXHJD-LFTGHYRXSA-N 1 2 424.545 1.685 20 0 HDADLO COc1ccc(CCCN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731686258 1075447079 /nfs/dbraw/zinc/44/70/79/1075447079.db2.gz RAKRHLNNKOMSAP-UHFFFAOYSA-N 1 2 411.568 1.778 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000731685806 1075448125 /nfs/dbraw/zinc/44/81/25/1075448125.db2.gz BWWWJLUCJMMXDJ-UHFFFAOYSA-N 1 2 408.568 1.464 20 0 HDADLO COc1ccc(OC)c([C@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731685890 1075448509 /nfs/dbraw/zinc/44/85/09/1075448509.db2.gz FGPARILIFMEIGV-AWEZNQCLSA-N 1 2 413.540 1.573 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000731685776 1075448922 /nfs/dbraw/zinc/44/89/22/1075448922.db2.gz ARMVXABVEKHXOY-UHFFFAOYSA-N 1 2 412.531 1.166 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000731686797 1075450699 /nfs/dbraw/zinc/45/06/99/1075450699.db2.gz PSFUUAFIZUOTJA-SFHVURJKSA-N 1 2 413.515 1.418 20 0 HDADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000676256807 1075451614 /nfs/dbraw/zinc/45/16/14/1075451614.db2.gz QIRLSQNSOZIBSH-QZTJIDSGSA-N 1 2 417.554 1.534 20 0 HDADLO COc1ccc([C@@H](CNc2nc(C)[nH+]c(N(C)C)n2)N2CCOCC2)cc1OC ZINC000488407307 1075454217 /nfs/dbraw/zinc/45/42/17/1075454217.db2.gz MRXCCHXHZKVEDJ-MRXNPFEDSA-N 1 2 402.499 1.749 20 0 HDADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000731676099 1075460033 /nfs/dbraw/zinc/46/00/33/1075460033.db2.gz LKLUWDZEKMCDET-UHFFFAOYSA-N 1 2 409.552 1.839 20 0 HDADLO C[C@H](OCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731680404 1075461702 /nfs/dbraw/zinc/46/17/02/1075461702.db2.gz KCYYIMVYZXKSRQ-KRWDZBQOSA-N 1 2 411.568 1.963 20 0 HDADLO CCN(CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731680650 1075463368 /nfs/dbraw/zinc/46/33/68/1075463368.db2.gz SJHWIFWTWUYJFN-UHFFFAOYSA-N 1 2 410.584 1.711 20 0 HDADLO CCCC(=O)Nc1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731681770 1075465508 /nfs/dbraw/zinc/46/55/08/1075465508.db2.gz GMLJNNLEJQMOGI-UHFFFAOYSA-N 1 2 424.567 1.733 20 0 HDADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000731682721 1075467083 /nfs/dbraw/zinc/46/70/83/1075467083.db2.gz SPUZRGBXOYKDMX-AWEZNQCLSA-N 1 2 422.551 1.441 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000676271440 1075474258 /nfs/dbraw/zinc/47/42/58/1075474258.db2.gz HZZXTNGACXATFA-JLTOFOAXSA-N 1 2 416.482 1.069 20 0 HDADLO C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676306653 1075504359 /nfs/dbraw/zinc/50/43/59/1075504359.db2.gz MJCLYHQEOTVPNI-ZJOUEHCJSA-N 1 2 404.555 1.638 20 0 HDADLO C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306653 1075504362 /nfs/dbraw/zinc/50/43/62/1075504362.db2.gz MJCLYHQEOTVPNI-ZJOUEHCJSA-N 1 2 404.555 1.638 20 0 HDADLO C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676306648 1075504370 /nfs/dbraw/zinc/50/43/70/1075504370.db2.gz MJCLYHQEOTVPNI-IRFCIJBXSA-N 1 2 404.555 1.638 20 0 HDADLO C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676306648 1075504372 /nfs/dbraw/zinc/50/43/72/1075504372.db2.gz MJCLYHQEOTVPNI-IRFCIJBXSA-N 1 2 404.555 1.638 20 0 HDADLO CCNC(=O)c1ccc(C)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731752375 1075508630 /nfs/dbraw/zinc/50/86/30/1075508630.db2.gz BMJBLHJYVPPCAQ-UHFFFAOYSA-N 1 2 410.540 1.375 20 0 HDADLO CCOC(=O)/C=C\c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731753138 1075509746 /nfs/dbraw/zinc/50/97/46/1075509746.db2.gz XYZKDSWTEKDISR-TWGQIWQCSA-N 1 2 423.535 1.893 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000731753031 1075510011 /nfs/dbraw/zinc/51/00/11/1075510011.db2.gz UGAQPOOXUPHJPH-UHFFFAOYSA-N 1 2 424.523 1.269 20 0 HDADLO Cc1nnc(SCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)n1Cc1ccccc1 ZINC000676340355 1075513656 /nfs/dbraw/zinc/51/36/56/1075513656.db2.gz CHXGKENXGKIBOH-GOSISDBHSA-N 1 2 401.536 1.660 20 0 HDADLO O=C([C@@H]1CCCN(c2ncnc3sccc32)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340657 1075514062 /nfs/dbraw/zinc/51/40/62/1075514062.db2.gz CEQRPPSCTFSPFL-CVEARBPZSA-N 1 2 401.536 1.841 20 0 HDADLO O=C(c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676343257 1075515627 /nfs/dbraw/zinc/51/56/27/1075515627.db2.gz ZKBJJMOBJLKLMN-GOSISDBHSA-N 1 2 420.469 1.425 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000731761693 1075516069 /nfs/dbraw/zinc/51/60/69/1075516069.db2.gz ZBDJHBFGGBNXKG-UHFFFAOYSA-N 1 2 404.536 1.745 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000731826801 1075525274 /nfs/dbraw/zinc/52/52/74/1075525274.db2.gz KQGFOCYQLXDQBJ-CQSZACIVSA-N 1 2 417.959 1.509 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN(c4nccn5cnnc45)[C@@H](C)C3)[nH+]c12 ZINC000676359104 1075532498 /nfs/dbraw/zinc/53/24/98/1075532498.db2.gz YRXHHKNZZOEIHP-INIZCTEOSA-N 1 2 419.493 1.543 20 0 HDADLO Cc1ccc(-n2cnnc2SCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000676387240 1075534194 /nfs/dbraw/zinc/53/41/94/1075534194.db2.gz DESACTOHQIBTDL-SFHVURJKSA-N 1 2 401.536 1.909 20 0 HDADLO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000676386760 1075534400 /nfs/dbraw/zinc/53/44/00/1075534400.db2.gz BTDVQUPGSUUGOM-OWCLPIDISA-N 1 2 417.506 1.845 20 0 HDADLO CCOC(=O)N1CCC(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000731854563 1075535410 /nfs/dbraw/zinc/53/54/10/1075535410.db2.gz ZJAYCPUYMAIVRG-UHFFFAOYSA-N 1 2 401.554 1.647 20 0 HDADLO CCOC(=O)N1CCC(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000731854563 1075535414 /nfs/dbraw/zinc/53/54/14/1075535414.db2.gz ZJAYCPUYMAIVRG-UHFFFAOYSA-N 1 2 401.554 1.647 20 0 HDADLO CS(=O)(=O)N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)Cc2ccccc21 ZINC000536536417 1075538105 /nfs/dbraw/zinc/53/81/05/1075538105.db2.gz PYGJODJSQOJFRE-UHFFFAOYSA-N 1 2 413.503 1.820 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)c2)cc[nH+]1 ZINC000544614673 1075541200 /nfs/dbraw/zinc/54/12/00/1075541200.db2.gz JGASUMBFRJHHCN-SFHVURJKSA-N 1 2 405.462 1.666 20 0 HDADLO CC(C)(C)c1ccc(C(=O)NCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731837505 1075543841 /nfs/dbraw/zinc/54/38/41/1075543841.db2.gz APLVXXFQMNXTQA-UHFFFAOYSA-N 1 2 423.579 1.339 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000731839710 1075545722 /nfs/dbraw/zinc/54/57/22/1075545722.db2.gz YTHJKAPJWNDWQR-FQEVSTJZSA-N 1 2 421.563 1.365 20 0 HDADLO CN1CC[NH+](CC2CCN(C(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)CC2)CC1 ZINC000731882748 1075553839 /nfs/dbraw/zinc/55/38/39/1075553839.db2.gz ARWQOBWCIAGJBW-UHFFFAOYSA-N 1 2 415.563 1.322 20 0 HDADLO Cc1nn(Cc2ccccc2)c(N)c1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000511728531 1075554614 /nfs/dbraw/zinc/55/46/14/1075554614.db2.gz YKXIPACOJHYVMJ-UHFFFAOYSA-N 1 2 409.494 1.603 20 0 HDADLO COc1cccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c1OC ZINC000676496310 1075566013 /nfs/dbraw/zinc/56/60/13/1075566013.db2.gz VQTWILOTGJUTDC-UHFFFAOYSA-N 1 2 406.508 1.793 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)c2nc3ccccc3s2)[C@@H](C)C1 ZINC000804162339 1075567341 /nfs/dbraw/zinc/56/73/41/1075567341.db2.gz HMERXTYLKZPLHE-UONOGXRCSA-N 1 2 418.519 1.569 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)c2nc3ccccc3s2)[C@@H](C)C1 ZINC000804162339 1075567342 /nfs/dbraw/zinc/56/73/42/1075567342.db2.gz HMERXTYLKZPLHE-UONOGXRCSA-N 1 2 418.519 1.569 20 0 HDADLO S=C(NCCC[NH+]1CCOCC1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000731952065 1075573639 /nfs/dbraw/zinc/57/36/39/1075573639.db2.gz NUXQKFADDQEPKN-FQEVSTJZSA-N 1 2 406.596 1.116 20 0 HDADLO CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000676543916 1075581710 /nfs/dbraw/zinc/58/17/10/1075581710.db2.gz BXFSWVUKQWJQND-MRXNPFEDSA-N 1 2 415.494 1.430 20 0 HDADLO COc1c(C)cc(C)cc1S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000509422312 1075583194 /nfs/dbraw/zinc/58/31/94/1075583194.db2.gz CAVKBODHNYACDD-UHFFFAOYSA-N 1 2 419.551 1.593 20 0 HDADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](C)C1CCCCC1 ZINC000532605561 1075584844 /nfs/dbraw/zinc/58/48/44/1075584844.db2.gz NDLGWXHFKFENIV-IAGOWNOFSA-N 1 2 405.543 1.875 20 0 HDADLO C[C@@H]1c2ccc(F)cc2CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000676551515 1075585533 /nfs/dbraw/zinc/58/55/33/1075585533.db2.gz KZPOYSLPFCDOQO-OAHLLOKOSA-N 1 2 415.469 1.439 20 0 HDADLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc([S@](C)=O)cc1 ZINC000534486264 1075589984 /nfs/dbraw/zinc/58/99/84/1075589984.db2.gz MRFQQRKLTAEBCQ-WQIZZMQYSA-N 1 2 405.524 1.835 20 0 HDADLO Cc1ccc(CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C2CC2)o1 ZINC000676546914 1075593129 /nfs/dbraw/zinc/59/31/29/1075593129.db2.gz URLMCWNHROQMCX-UHFFFAOYSA-N 1 2 401.467 1.246 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC2(CCCCC2)CC1 ZINC000676548862 1075595983 /nfs/dbraw/zinc/59/59/83/1075595983.db2.gz JCODNLWIPPLWHX-UHFFFAOYSA-N 1 2 403.527 1.727 20 0 HDADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000462560343 1075596678 /nfs/dbraw/zinc/59/66/78/1075596678.db2.gz UITISZYIINWTFU-FOIQADDNSA-N 1 2 412.465 2.568 20 0 HDADLO COC(=O)Nc1ccc(OC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000732059235 1075597664 /nfs/dbraw/zinc/59/76/64/1075597664.db2.gz XEDGUKHHJMKKBW-QGZVFWFLSA-N 1 2 405.451 1.484 20 0 HDADLO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804171184 1075602179 /nfs/dbraw/zinc/60/21/79/1075602179.db2.gz DVFIAAWSCLYSSO-UBHSHLNASA-N 1 2 407.471 1.633 20 0 HDADLO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804171184 1075602182 /nfs/dbraw/zinc/60/21/82/1075602182.db2.gz DVFIAAWSCLYSSO-UBHSHLNASA-N 1 2 407.471 1.633 20 0 HDADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000804180794 1075610853 /nfs/dbraw/zinc/61/08/53/1075610853.db2.gz AWDHBRKFXHAWIX-UHFFFAOYSA-N 1 2 418.538 1.622 20 0 HDADLO C[C@@H]1CN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000438323404 1075611353 /nfs/dbraw/zinc/61/13/53/1075611353.db2.gz FHSHOHNFIAOVLS-APWZRJJASA-N 1 2 417.485 2.348 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000548935958 1075616677 /nfs/dbraw/zinc/61/66/77/1075616677.db2.gz FAUJLGIYNAVYIC-OAHLLOKOSA-N 1 2 416.551 1.465 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000548935958 1075616678 /nfs/dbraw/zinc/61/66/78/1075616678.db2.gz FAUJLGIYNAVYIC-OAHLLOKOSA-N 1 2 416.551 1.465 20 0 HDADLO CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676618885 1075618776 /nfs/dbraw/zinc/61/87/76/1075618776.db2.gz QURKBVHUQUXQAQ-QGZVFWFLSA-N 1 2 404.492 1.272 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2nc(N)nc(Nc3ccccc3C)n2)CC1 ZINC000583715741 1075627089 /nfs/dbraw/zinc/62/70/89/1075627089.db2.gz WCYYNURYRLFLLJ-HNNXBMFYSA-N 1 2 415.567 1.714 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)cc2[nH]c1=S ZINC000732161139 1075642168 /nfs/dbraw/zinc/64/21/68/1075642168.db2.gz VGDHXRODRANVIX-GOSISDBHSA-N 1 2 416.547 1.888 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732166976 1075644108 /nfs/dbraw/zinc/64/41/08/1075644108.db2.gz STJPWFOGXABJNV-KRWDZBQOSA-N 1 2 400.479 1.189 20 0 HDADLO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000732187320 1075653973 /nfs/dbraw/zinc/65/39/73/1075653973.db2.gz RJYQUVDZLBXDRE-VGSWGCGISA-N 1 2 414.506 1.897 20 0 HDADLO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000732187320 1075653974 /nfs/dbraw/zinc/65/39/74/1075653974.db2.gz RJYQUVDZLBXDRE-VGSWGCGISA-N 1 2 414.506 1.897 20 0 HDADLO C[C@@H](NC(=O)CNC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C)c1ccc(F)cc1 ZINC000676717461 1075658721 /nfs/dbraw/zinc/65/87/21/1075658721.db2.gz KVBLPPNASQWGNX-KDOFPFPSSA-N 1 2 401.486 1.862 20 0 HDADLO C[C@@H](NC(=O)CNC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C)c1ccc(F)cc1 ZINC000676717461 1075658723 /nfs/dbraw/zinc/65/87/23/1075658723.db2.gz KVBLPPNASQWGNX-KDOFPFPSSA-N 1 2 401.486 1.862 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)ccc1C ZINC000732210847 1075666848 /nfs/dbraw/zinc/66/68/48/1075666848.db2.gz MWJCTTJGSUOHAF-QGZVFWFLSA-N 1 2 422.551 1.319 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)ccc1C ZINC000732210847 1075666854 /nfs/dbraw/zinc/66/68/54/1075666854.db2.gz MWJCTTJGSUOHAF-QGZVFWFLSA-N 1 2 422.551 1.319 20 0 HDADLO COc1ccc(C(=O)NCCN2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000732203896 1075675336 /nfs/dbraw/zinc/67/53/36/1075675336.db2.gz LDWQGUGUKCUAOS-OAQYLSRUSA-N 1 2 401.482 1.915 20 0 HDADLO Cc1cn(C(C)(C)C(=O)NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c[nH+]1 ZINC001062289039 1075685172 /nfs/dbraw/zinc/68/51/72/1075685172.db2.gz JHNOVSBESLKKDD-QKDSSNGWSA-N 1 2 400.523 1.847 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490243944 1075687791 /nfs/dbraw/zinc/68/77/91/1075687791.db2.gz MZIZSDUHKUGTIS-LSDHHAIUSA-N 1 2 423.493 1.676 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490243944 1075687792 /nfs/dbraw/zinc/68/77/92/1075687792.db2.gz MZIZSDUHKUGTIS-LSDHHAIUSA-N 1 2 423.493 1.676 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000732302556 1075694025 /nfs/dbraw/zinc/69/40/25/1075694025.db2.gz JLYHCZAHZXDFHU-IXDOHACOSA-N 1 2 413.440 1.503 20 0 HDADLO CC(C)n1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)nn1 ZINC001084996067 1075694999 /nfs/dbraw/zinc/69/49/99/1075694999.db2.gz PAFKZIZQYTWWCD-XIHRTOKZSA-N 1 2 403.527 1.333 20 0 HDADLO CC(C)n1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)nn1 ZINC001084996067 1075695001 /nfs/dbraw/zinc/69/50/01/1075695001.db2.gz PAFKZIZQYTWWCD-XIHRTOKZSA-N 1 2 403.527 1.333 20 0 HDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)no1 ZINC001084992743 1075697776 /nfs/dbraw/zinc/69/77/76/1075697776.db2.gz QOHTUTREDRKFMO-KKTQNZDYSA-N 1 2 400.479 1.268 20 0 HDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)no1 ZINC001084992743 1075697779 /nfs/dbraw/zinc/69/77/79/1075697779.db2.gz QOHTUTREDRKFMO-KKTQNZDYSA-N 1 2 400.479 1.268 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2)cc1 ZINC000438520352 1075703941 /nfs/dbraw/zinc/70/39/41/1075703941.db2.gz ZXYFPYGQRLGCQZ-KRWDZBQOSA-N 1 2 424.553 1.634 20 0 HDADLO O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000732340178 1075709283 /nfs/dbraw/zinc/70/92/83/1075709283.db2.gz BZZFLOZGIOPPRU-UHFFFAOYSA-N 1 2 413.455 1.133 20 0 HDADLO C[C@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1)c1ccc(F)cc1 ZINC000554849291 1075712533 /nfs/dbraw/zinc/71/25/33/1075712533.db2.gz XNJLOYZRTKEWIU-GOEBONIOSA-N 1 2 414.485 1.371 20 0 HDADLO C[C@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1)c1ccc(F)cc1 ZINC000554849291 1075712538 /nfs/dbraw/zinc/71/25/38/1075712538.db2.gz XNJLOYZRTKEWIU-GOEBONIOSA-N 1 2 414.485 1.371 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Nc3cc(C)on3)cc2)CC1 ZINC000524138556 1075720327 /nfs/dbraw/zinc/72/03/27/1075720327.db2.gz VMUDGJREEBDVPZ-UHFFFAOYSA-N 1 2 415.494 1.890 20 0 HDADLO Nc1nc(NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)[nH+]c2ccccc12 ZINC000555775767 1075721501 /nfs/dbraw/zinc/72/15/01/1075721501.db2.gz SIPURHUUMOHJKW-INIZCTEOSA-N 1 2 409.465 1.903 20 0 HDADLO Cc1onc(N)c1S(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000520460991 1075728016 /nfs/dbraw/zinc/72/80/16/1075728016.db2.gz VRZMRSMHQIUACZ-UHFFFAOYSA-N 1 2 414.285 1.805 20 0 HDADLO COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397283 1075732795 /nfs/dbraw/zinc/73/27/95/1075732795.db2.gz OTFQHNKNKCCQHU-SJORKVTESA-N 1 2 419.522 1.734 20 0 HDADLO CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C2 ZINC000608312909 1075743322 /nfs/dbraw/zinc/74/33/22/1075743322.db2.gz ORVNGKPGNHILDH-UHFFFAOYSA-N 1 2 412.494 1.764 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497887313 1075755993 /nfs/dbraw/zinc/75/59/93/1075755993.db2.gz VNILQPFQXVPSPX-WMZOPIPTSA-N 1 2 415.448 1.706 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000497887313 1075755996 /nfs/dbraw/zinc/75/59/96/1075755996.db2.gz VNILQPFQXVPSPX-WMZOPIPTSA-N 1 2 415.448 1.706 20 0 HDADLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)CC1 ZINC000732473749 1075756404 /nfs/dbraw/zinc/75/64/04/1075756404.db2.gz RQAMGAQRAWULPI-SFHVURJKSA-N 1 2 412.538 1.993 20 0 HDADLO C[N@H+](CC(=O)Nc1ccon1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000590063195 1075757413 /nfs/dbraw/zinc/75/74/13/1075757413.db2.gz GMADDQPXAWMTTA-UHFFFAOYSA-N 1 2 400.460 2.546 20 0 HDADLO C[N@@H+](CC(=O)Nc1ccon1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000590063195 1075757416 /nfs/dbraw/zinc/75/74/16/1075757416.db2.gz GMADDQPXAWMTTA-UHFFFAOYSA-N 1 2 400.460 2.546 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCC[C@H](C2OCCO2)C1 ZINC000732476480 1075757565 /nfs/dbraw/zinc/75/75/65/1075757565.db2.gz LLWRHGVTXKVHKP-VQTJNVASSA-N 1 2 403.523 1.724 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCC[C@H](C2OCCO2)C1 ZINC000732476478 1075757720 /nfs/dbraw/zinc/75/77/20/1075757720.db2.gz LLWRHGVTXKVHKP-PMACEKPBSA-N 1 2 403.523 1.724 20 0 HDADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCNC(=O)c3cccnc3)CC2)c1 ZINC000509264277 1075761515 /nfs/dbraw/zinc/76/15/15/1075761515.db2.gz PWUSNXZZBILLDZ-KRWDZBQOSA-N 1 2 411.506 1.908 20 0 HDADLO C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cn(-c2ccccc2)nn1 ZINC000473816479 1075769698 /nfs/dbraw/zinc/76/96/98/1075769698.db2.gz HFOWAQAVBGWJKN-INIZCTEOSA-N 1 2 410.482 1.679 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)Cc3nncn3C(C)C)CC2)cc1 ZINC000429272882 1075773765 /nfs/dbraw/zinc/77/37/65/1075773765.db2.gz DQVHDKWRMIJWNB-UHFFFAOYSA-N 1 2 400.527 1.644 20 0 HDADLO CC(C)(C)c1nnc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000616252960 1075777206 /nfs/dbraw/zinc/77/72/06/1075777206.db2.gz HAHJGLLULSYDBT-UHFFFAOYSA-N 1 2 417.535 1.923 20 0 HDADLO C[C@H](O)C[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000469692469 1075783718 /nfs/dbraw/zinc/78/37/18/1075783718.db2.gz TXVYSJUIOKXNPY-PKOBYXMFSA-N 1 2 401.511 1.892 20 0 HDADLO CC(C)(C)n1cnc(NC(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000442206264 1075790056 /nfs/dbraw/zinc/79/00/56/1075790056.db2.gz DYZGKNDYJMVFKN-UHFFFAOYSA-N 1 2 405.462 2.526 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(N(C)C(C)=O)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000143470387 1075812333 /nfs/dbraw/zinc/81/23/33/1075812333.db2.gz HGJQKWYKQCFZRO-SFHVURJKSA-N 1 2 404.467 1.393 20 0 HDADLO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000611076810 1075828770 /nfs/dbraw/zinc/82/87/70/1075828770.db2.gz HWXZBIMRPLBHBZ-AABGKKOBSA-N 1 2 407.603 1.691 20 0 HDADLO O=C(COC(=O)c1ccnc(C2CC2)n1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000732694417 1075833152 /nfs/dbraw/zinc/83/31/52/1075833152.db2.gz NYCGCAUNSMPGPH-UHFFFAOYSA-N 1 2 410.474 1.659 20 0 HDADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cccc(Nc4cnccn4)c3)cc2C1 ZINC000447684896 1075834739 /nfs/dbraw/zinc/83/47/39/1075834739.db2.gz FVAWTDBZPWDJAX-UHFFFAOYSA-N 1 2 402.458 2.316 20 0 HDADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cccc(Nc4cnccn4)c3)cc2C1 ZINC000447684896 1075834747 /nfs/dbraw/zinc/83/47/47/1075834747.db2.gz FVAWTDBZPWDJAX-UHFFFAOYSA-N 1 2 402.458 2.316 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 ZINC000732764342 1075847517 /nfs/dbraw/zinc/84/75/17/1075847517.db2.gz DFLMLJSFKUWCFT-QZTJIDSGSA-N 1 2 413.584 1.040 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 ZINC000732764340 1075847697 /nfs/dbraw/zinc/84/76/97/1075847697.db2.gz DFLMLJSFKUWCFT-MSOLQXFVSA-N 1 2 413.584 1.040 20 0 HDADLO O=C(NCC[NH+]1CCSCC1)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000732777864 1075855542 /nfs/dbraw/zinc/85/55/42/1075855542.db2.gz ZZYDIQSZCSRMLD-UHFFFAOYSA-N 1 2 405.492 1.184 20 0 HDADLO COCC1CC[NH+](Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)CC1 ZINC000732798281 1075861023 /nfs/dbraw/zinc/86/10/23/1075861023.db2.gz LVOOKHHBPDQFIJ-KRWDZBQOSA-N 1 2 411.572 1.746 20 0 HDADLO O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000732809219 1075870716 /nfs/dbraw/zinc/87/07/16/1075870716.db2.gz SCDFFIWLYRBKTJ-FQEVSTJZSA-N 1 2 400.523 1.939 20 0 HDADLO O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000732809219 1075870718 /nfs/dbraw/zinc/87/07/18/1075870718.db2.gz SCDFFIWLYRBKTJ-FQEVSTJZSA-N 1 2 400.523 1.939 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000732813215 1075874334 /nfs/dbraw/zinc/87/43/34/1075874334.db2.gz IXRFJUARDJUXDD-MJBXVCDLSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000732813215 1075874336 /nfs/dbraw/zinc/87/43/36/1075874336.db2.gz IXRFJUARDJUXDD-MJBXVCDLSA-N 1 2 407.433 1.272 20 0 HDADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000611217024 1075878360 /nfs/dbraw/zinc/87/83/60/1075878360.db2.gz UWUWIWXLVOEFET-ZDUSSCGKSA-N 1 2 402.407 1.431 20 0 HDADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000611217024 1075878364 /nfs/dbraw/zinc/87/83/64/1075878364.db2.gz UWUWIWXLVOEFET-ZDUSSCGKSA-N 1 2 402.407 1.431 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732824495 1075880023 /nfs/dbraw/zinc/88/00/23/1075880023.db2.gz HWTPHWMACVISNX-YLJYHZDGSA-N 1 2 410.584 1.381 20 0 HDADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732808217 1075883068 /nfs/dbraw/zinc/88/30/68/1075883068.db2.gz CYBRUHIABUMURE-KRWDZBQOSA-N 1 2 416.522 1.535 20 0 HDADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732808217 1075883074 /nfs/dbraw/zinc/88/30/74/1075883074.db2.gz CYBRUHIABUMURE-KRWDZBQOSA-N 1 2 416.522 1.535 20 0 HDADLO CSCCCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732913232 1075910399 /nfs/dbraw/zinc/91/03/99/1075910399.db2.gz QXLGRBWVYAVFQW-HNNXBMFYSA-N 1 2 410.613 1.499 20 0 HDADLO CSCCCNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732913232 1075910402 /nfs/dbraw/zinc/91/04/02/1075910402.db2.gz QXLGRBWVYAVFQW-HNNXBMFYSA-N 1 2 410.613 1.499 20 0 HDADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000502513125 1075912643 /nfs/dbraw/zinc/91/26/43/1075912643.db2.gz CKEJRLMMJPFCBG-DLBZAZTESA-N 1 2 407.515 1.082 20 0 HDADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000502513125 1075912645 /nfs/dbraw/zinc/91/26/45/1075912645.db2.gz CKEJRLMMJPFCBG-DLBZAZTESA-N 1 2 407.515 1.082 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCCC(=O)OC(C)(C)C)CC1 ZINC000611363814 1075919830 /nfs/dbraw/zinc/91/98/30/1075919830.db2.gz QFAFBCPRLFTABY-UHFFFAOYSA-N 1 2 417.514 1.707 20 0 HDADLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000732981670 1075936145 /nfs/dbraw/zinc/93/61/45/1075936145.db2.gz UPENBUJPXQWTAC-CQSZACIVSA-N 1 2 420.535 1.871 20 0 HDADLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000732981670 1075936147 /nfs/dbraw/zinc/93/61/47/1075936147.db2.gz UPENBUJPXQWTAC-CQSZACIVSA-N 1 2 420.535 1.871 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000611540814 1075955517 /nfs/dbraw/zinc/95/55/17/1075955517.db2.gz ZSPNSXUJPFCOPI-HOTGVXAUSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611540712 1075956869 /nfs/dbraw/zinc/95/68/69/1075956869.db2.gz PDBWJSHMDIZKQJ-DLBZAZTESA-N 1 2 419.503 1.241 20 0 HDADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611540687 1075956956 /nfs/dbraw/zinc/95/69/56/1075956956.db2.gz NSFDCNYWDWQONA-HUUCEWRRSA-N 1 2 424.544 1.908 20 0 HDADLO Cn1cncc1C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079139223 1075964834 /nfs/dbraw/zinc/96/48/34/1075964834.db2.gz GYEFWQZYULYNSJ-VYKPCIFISA-N 1 2 422.529 1.417 20 0 HDADLO Cn1cncc1C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079139223 1075964835 /nfs/dbraw/zinc/96/48/35/1075964835.db2.gz GYEFWQZYULYNSJ-VYKPCIFISA-N 1 2 422.529 1.417 20 0 HDADLO CN(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cc(Cl)n1 ZINC000733131768 1075980221 /nfs/dbraw/zinc/98/02/21/1075980221.db2.gz OJQOUQXELQVKBN-UHFFFAOYSA-N 1 2 401.898 1.858 20 0 HDADLO Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1 ZINC001080180321 1075985045 /nfs/dbraw/zinc/98/50/45/1075985045.db2.gz DKQVHCXSIPFYGT-HERIUZKZSA-N 1 2 401.507 1.422 20 0 HDADLO Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c1 ZINC001080180321 1075985048 /nfs/dbraw/zinc/98/50/48/1075985048.db2.gz DKQVHCXSIPFYGT-HERIUZKZSA-N 1 2 401.507 1.422 20 0 HDADLO CCn1c(=O)c2ccc(C(=O)N3CCC(OCC[NH+](C)C)CC3)cc2[nH]c1=S ZINC000733153623 1075987767 /nfs/dbraw/zinc/98/77/67/1075987767.db2.gz FJXPMBBGZRQWNY-UHFFFAOYSA-N 1 2 404.536 1.888 20 0 HDADLO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1)N1CCCC1 ZINC000733157619 1075990279 /nfs/dbraw/zinc/99/02/79/1075990279.db2.gz AQJFIOKGCZSKJM-LJQANCHMSA-N 1 2 402.470 1.475 20 0 HDADLO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1)N1CCCC1 ZINC000733157619 1075990281 /nfs/dbraw/zinc/99/02/81/1075990281.db2.gz AQJFIOKGCZSKJM-LJQANCHMSA-N 1 2 402.470 1.475 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)N[C@H](C)C[NH+]3CCN(c4ccccn4)CC3)c2C)no1 ZINC000512705949 1076003762 /nfs/dbraw/zinc/00/37/62/1076003762.db2.gz SGRZLYKRFRLPRK-OAHLLOKOSA-N 1 2 424.509 1.267 20 0 HDADLO O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000513595380 1076005776 /nfs/dbraw/zinc/00/57/76/1076005776.db2.gz NJPBUNSBHVSKGQ-HUUCEWRRSA-N 1 2 413.444 1.940 20 0 HDADLO O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000513595380 1076005781 /nfs/dbraw/zinc/00/57/81/1076005781.db2.gz NJPBUNSBHVSKGQ-HUUCEWRRSA-N 1 2 413.444 1.940 20 0 HDADLO CO[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001081958380 1076018748 /nfs/dbraw/zinc/01/87/48/1076018748.db2.gz KUOQPADFJMEVOF-BNSVPJGFSA-N 1 2 402.491 1.588 20 0 HDADLO CO[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001081958380 1076018754 /nfs/dbraw/zinc/01/87/54/1076018754.db2.gz KUOQPADFJMEVOF-BNSVPJGFSA-N 1 2 402.491 1.588 20 0 HDADLO COc1ccc(C2N=NC(=S)N2CCC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000727173811 1076069377 /nfs/dbraw/zinc/06/93/77/1076069377.db2.gz XMHSJZJSMJORBE-UHFFFAOYSA-N 1 2 405.524 1.423 20 0 HDADLO O=Cc1cccc(OCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000733598569 1076123636 /nfs/dbraw/zinc/12/36/36/1076123636.db2.gz WUXXKFACWMWFDM-UHFFFAOYSA-N 1 2 402.472 1.827 20 0 HDADLO NC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000727484149 1076140642 /nfs/dbraw/zinc/14/06/42/1076140642.db2.gz XEQKEAIIUQQUEN-UHFFFAOYSA-N 1 2 401.536 1.532 20 0 HDADLO NC(=O)C[N@H+]1CCCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000727484149 1076140646 /nfs/dbraw/zinc/14/06/46/1076140646.db2.gz XEQKEAIIUQQUEN-UHFFFAOYSA-N 1 2 401.536 1.532 20 0 HDADLO O=C(COC(=O)c1ccc2c(c1)NC(=O)CN2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000727524155 1076146801 /nfs/dbraw/zinc/14/68/01/1076146801.db2.gz WEBSRRVXSRURHR-UHFFFAOYSA-N 1 2 414.487 1.613 20 0 HDADLO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1 ZINC000727750580 1076224296 /nfs/dbraw/zinc/22/42/96/1076224296.db2.gz BPBUYTWXYNHBSM-UHFFFAOYSA-N 1 2 412.265 1.395 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)c2)CC1 ZINC000727756294 1076229912 /nfs/dbraw/zinc/22/99/12/1076229912.db2.gz VCSLEMAEVIMYJK-IBGZPJMESA-N 1 2 415.519 1.103 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000530466937 1076236112 /nfs/dbraw/zinc/23/61/12/1076236112.db2.gz PEQDWCVYYNGAFF-INIZCTEOSA-N 1 2 421.906 1.985 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000530466937 1076236115 /nfs/dbraw/zinc/23/61/15/1076236115.db2.gz PEQDWCVYYNGAFF-INIZCTEOSA-N 1 2 421.906 1.985 20 0 HDADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534582628 1076249305 /nfs/dbraw/zinc/24/93/05/1076249305.db2.gz AGQAAHTZGQYISL-IBGZPJMESA-N 1 2 409.490 1.468 20 0 HDADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000534582628 1076249311 /nfs/dbraw/zinc/24/93/11/1076249311.db2.gz AGQAAHTZGQYISL-IBGZPJMESA-N 1 2 409.490 1.468 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccccc2SCCC(N)=O)C1 ZINC000535278495 1076251717 /nfs/dbraw/zinc/25/17/17/1076251717.db2.gz ZAFDJUUIRLWVLW-QGZVFWFLSA-N 1 2 412.515 1.896 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccccc2SCCC(N)=O)C1 ZINC000535278495 1076251718 /nfs/dbraw/zinc/25/17/18/1076251718.db2.gz ZAFDJUUIRLWVLW-QGZVFWFLSA-N 1 2 412.515 1.896 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000536021653 1076253781 /nfs/dbraw/zinc/25/37/81/1076253781.db2.gz DRWWKBCMBYGAAO-SFHVURJKSA-N 1 2 409.533 1.402 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000536021653 1076253786 /nfs/dbraw/zinc/25/37/86/1076253786.db2.gz DRWWKBCMBYGAAO-SFHVURJKSA-N 1 2 409.533 1.402 20 0 HDADLO CC(C)(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709407 1076257491 /nfs/dbraw/zinc/25/74/91/1076257491.db2.gz VJXDPFYRYUQATJ-KKEPMVJESA-N 1 2 403.567 1.981 20 0 HDADLO CC1(CCC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC3)C2)CC1 ZINC001065712895 1076257628 /nfs/dbraw/zinc/25/76/28/1076257628.db2.gz HLQLCQKVVPGJSB-KKEPMVJESA-N 1 2 401.551 1.735 20 0 HDADLO CCC(CC)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065713146 1076257929 /nfs/dbraw/zinc/25/79/29/1076257929.db2.gz MSBXSQQMJZCNHK-YENHRIDLSA-N 1 2 403.567 1.981 20 0 HDADLO COCCN(CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(=O)OC(C)(C)C ZINC000733951432 1076273180 /nfs/dbraw/zinc/27/31/80/1076273180.db2.gz GJCRFFSBVSFAPZ-LJQANCHMSA-N 1 2 417.572 1.194 20 0 HDADLO CC1CCN(C(=O)C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5CCCC[C@H]45)[C@H]3C2)CC1 ZINC001083151586 1076317191 /nfs/dbraw/zinc/31/71/91/1076317191.db2.gz GZCLCVJCWUGPDS-JRSUCEMESA-N 1 2 403.567 1.983 20 0 HDADLO CC1CCN(C(=O)C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5CCCC[C@H]45)[C@H]3C2)CC1 ZINC001083151586 1076317194 /nfs/dbraw/zinc/31/71/94/1076317194.db2.gz GZCLCVJCWUGPDS-JRSUCEMESA-N 1 2 403.567 1.983 20 0 HDADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000728056452 1076323293 /nfs/dbraw/zinc/32/32/93/1076323293.db2.gz WBGIVWWSUSARGN-ZDUSSCGKSA-N 1 2 410.396 1.705 20 0 HDADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000728056452 1076323297 /nfs/dbraw/zinc/32/32/97/1076323297.db2.gz WBGIVWWSUSARGN-ZDUSSCGKSA-N 1 2 410.396 1.705 20 0 HDADLO CCN(CCNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C(=O)OC(C)(C)C ZINC000804255677 1076345306 /nfs/dbraw/zinc/34/53/06/1076345306.db2.gz FTIUXCJEOOGIAU-HNNXBMFYSA-N 1 2 407.515 1.499 20 0 HDADLO O=C(CN1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1)NC1CC1 ZINC000025300845 1076351397 /nfs/dbraw/zinc/35/13/97/1076351397.db2.gz CVFPQJVSIQBXFC-CQSZACIVSA-N 1 2 402.322 1.629 20 0 HDADLO Nc1c(C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000027366001 1076359678 /nfs/dbraw/zinc/35/96/78/1076359678.db2.gz SJRGAWXTFLBDQK-ZDUSSCGKSA-N 1 2 404.492 1.379 20 0 HDADLO Nc1c(C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000027366001 1076359684 /nfs/dbraw/zinc/35/96/84/1076359684.db2.gz SJRGAWXTFLBDQK-ZDUSSCGKSA-N 1 2 404.492 1.379 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(S(N)(=O)=O)c3)CC2)cc1 ZINC000028732996 1076361665 /nfs/dbraw/zinc/36/16/65/1076361665.db2.gz FMVHPFLEYUSDLU-UHFFFAOYSA-N 1 2 417.531 1.999 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@H+](Cc3cnnn3-c3ccccc3)C[C@H]21 ZINC001084531397 1076368419 /nfs/dbraw/zinc/36/84/19/1076368419.db2.gz IHIDOWKMTLXSQT-RQEUSYDHSA-N 1 2 405.502 1.723 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@@H+](Cc3cnnn3-c3ccccc3)C[C@H]21 ZINC001084531397 1076368423 /nfs/dbraw/zinc/36/84/23/1076368423.db2.gz IHIDOWKMTLXSQT-RQEUSYDHSA-N 1 2 405.502 1.723 20 0 HDADLO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CC[N@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC001084539918 1076369659 /nfs/dbraw/zinc/36/96/59/1076369659.db2.gz LDVCYTKZTXCPHA-WFBQIFQOSA-N 1 2 401.507 1.638 20 0 HDADLO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CC[N@@H+](Cc3noc4c3CCCC4)C[C@H]21 ZINC001084539918 1076369666 /nfs/dbraw/zinc/36/96/66/1076369666.db2.gz LDVCYTKZTXCPHA-WFBQIFQOSA-N 1 2 401.507 1.638 20 0 HDADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CC[NH+](Cc3cnn(C)c3)CC1)C2=O ZINC000729987144 1076408345 /nfs/dbraw/zinc/40/83/45/1076408345.db2.gz UABCCLZXWJKJFP-IIBYNOLFSA-N 1 2 402.543 1.632 20 0 HDADLO COc1ccccc1[C@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1nccn1C ZINC000730115890 1076462257 /nfs/dbraw/zinc/46/22/57/1076462257.db2.gz LVJMJGAXYQRGRZ-LPHOPBHVSA-N 1 2 400.527 1.453 20 0 HDADLO CS(=O)(=O)c1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1Cl ZINC000730218165 1076479974 /nfs/dbraw/zinc/47/99/74/1076479974.db2.gz DWLPUEHHPZAMCF-OAHLLOKOSA-N 1 2 413.927 1.298 20 0 HDADLO CS(=O)(=O)c1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1Cl ZINC000730218165 1076479975 /nfs/dbraw/zinc/47/99/75/1076479975.db2.gz DWLPUEHHPZAMCF-OAHLLOKOSA-N 1 2 413.927 1.298 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000730228721 1076485691 /nfs/dbraw/zinc/48/56/91/1076485691.db2.gz WKDRNIGWZKHOLR-MNTXUITRSA-N 1 2 421.505 1.683 20 0 HDADLO CCOC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000730252071 1076497039 /nfs/dbraw/zinc/49/70/39/1076497039.db2.gz MAIGWVNEZDMZCE-HRAATJIYSA-N 1 2 403.479 1.781 20 0 HDADLO CCOC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)C1 ZINC000730252071 1076497041 /nfs/dbraw/zinc/49/70/41/1076497041.db2.gz MAIGWVNEZDMZCE-HRAATJIYSA-N 1 2 403.479 1.781 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000730263064 1076503310 /nfs/dbraw/zinc/50/33/10/1076503310.db2.gz CMLNDFICBRHCHR-MRXNPFEDSA-N 1 2 408.568 1.991 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000730263064 1076503314 /nfs/dbraw/zinc/50/33/14/1076503314.db2.gz CMLNDFICBRHCHR-MRXNPFEDSA-N 1 2 408.568 1.991 20 0 HDADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730264185 1076506436 /nfs/dbraw/zinc/50/64/36/1076506436.db2.gz PMZRJDQOXVTBMC-OWCLPIDISA-N 1 2 405.495 1.930 20 0 HDADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730264185 1076506447 /nfs/dbraw/zinc/50/64/47/1076506447.db2.gz PMZRJDQOXVTBMC-OWCLPIDISA-N 1 2 405.495 1.930 20 0 HDADLO CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1)O[C@H](C)C2 ZINC000730546828 1076598105 /nfs/dbraw/zinc/59/81/05/1076598105.db2.gz WHJORBXHNKUKRR-UWWQBHOKSA-N 1 2 401.507 1.532 20 0 HDADLO CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1)O[C@H](C)C2 ZINC000730546828 1076598111 /nfs/dbraw/zinc/59/81/11/1076598111.db2.gz WHJORBXHNKUKRR-UWWQBHOKSA-N 1 2 401.507 1.532 20 0 HDADLO O=C(NCCS(=O)(=O)N1CCSCC1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000730581671 1076602121 /nfs/dbraw/zinc/60/21/21/1076602121.db2.gz ZCCQQCZITHHSKY-UHFFFAOYSA-N 1 2 409.537 1.050 20 0 HDADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000730570700 1076605413 /nfs/dbraw/zinc/60/54/13/1076605413.db2.gz KMZQAKYKKXXDAX-INIZCTEOSA-N 1 2 402.520 1.797 20 0 HDADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000730570700 1076605425 /nfs/dbraw/zinc/60/54/25/1076605425.db2.gz KMZQAKYKKXXDAX-INIZCTEOSA-N 1 2 402.520 1.797 20 0 HDADLO CCOCC[N@H+](CC)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O ZINC000730801648 1076654235 /nfs/dbraw/zinc/65/42/35/1076654235.db2.gz FEXUJVXZCKNMTI-HXUWFJFHSA-N 1 2 404.467 1.726 20 0 HDADLO CCOCC[N@@H+](CC)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O ZINC000730801648 1076654238 /nfs/dbraw/zinc/65/42/38/1076654238.db2.gz FEXUJVXZCKNMTI-HXUWFJFHSA-N 1 2 404.467 1.726 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000031496942 1076738317 /nfs/dbraw/zinc/73/83/17/1076738317.db2.gz SEVIAARLTILYSJ-UHFFFAOYSA-N 1 2 407.474 1.453 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(N2CCCC2)n1 ZINC001164707081 719837149 /nfs/dbraw/zinc/83/71/49/719837149.db2.gz ZGBXZHTVTYYPMX-DYESRHJHSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(N2CCCC2)n1 ZINC001164707086 719837237 /nfs/dbraw/zinc/83/72/37/719837237.db2.gz ZGBXZHTVTYYPMX-UWJYYQICSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706063 719841749 /nfs/dbraw/zinc/84/17/49/719841749.db2.gz WEHMKNPKXQTPRA-YJYMSZOUSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1OC ZINC001164704606 719843519 /nfs/dbraw/zinc/84/35/19/719843519.db2.gz SBYFVQMBJANOQY-VLIAUNLRSA-N 1 2 407.467 1.110 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(C)c1 ZINC001164703955 719848236 /nfs/dbraw/zinc/84/82/36/719848236.db2.gz RPDOFAUKSCSHBR-DYESRHJHSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2ccc(OC)cc2n1 ZINC001164706991 719848607 /nfs/dbraw/zinc/84/86/07/719848607.db2.gz YRCFGLDPUGQHNC-IIBYNOLFSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)c1ccc(Cl)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164700063 719857443 /nfs/dbraw/zinc/85/74/43/719857443.db2.gz GAQHTCXLZIAIQC-YJYMSZOUSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(N2CCCCC2)n1 ZINC001164703190 719862657 /nfs/dbraw/zinc/86/26/57/719862657.db2.gz PJPAUYHIGHGSGN-UTKZUKDTSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc[nH]c2nc(=S)sc1-2 ZINC001164704444 719865544 /nfs/dbraw/zinc/86/55/44/719865544.db2.gz MBGXBEXIYPIVHW-DIFFPNOSSA-N 1 2 409.537 1.608 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@H](F)Oc1ccc(Cl)nn1 ZINC001164698439 719879549 /nfs/dbraw/zinc/87/95/49/719879549.db2.gz FPKKJGLIHOQQTD-ZLIFDBKOSA-N 1 2 402.854 1.490 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164708352 719912909 /nfs/dbraw/zinc/91/29/09/719912909.db2.gz AEVDGKHMXPMKKC-UHFFFAOYSA-N 1 2 414.901 1.295 20 0 HDADLO COc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2ccccc21 ZINC001164709215 719913232 /nfs/dbraw/zinc/91/32/32/719913232.db2.gz QPILDGHOBXRRRQ-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO COc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)c1 ZINC001164709480 719915174 /nfs/dbraw/zinc/91/51/74/719915174.db2.gz VZTVEQOOGMEGMJ-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccncc3)ncn1)CC2 ZINC001164708311 719926393 /nfs/dbraw/zinc/92/63/93/719926393.db2.gz IORXOJCIMSSJKV-UHFFFAOYSA-N 1 2 418.505 1.222 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)N(C)C)cc3Cl)C2)C1 ZINC001164721225 720288969 /nfs/dbraw/zinc/28/89/69/720288969.db2.gz HWUSHFLCPFDJHX-HXUWFJFHSA-N 1 2 423.945 1.102 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)N(C)C)cc3Cl)C2)C1 ZINC001164721225 720288985 /nfs/dbraw/zinc/28/89/85/720288985.db2.gz HWUSHFLCPFDJHX-HXUWFJFHSA-N 1 2 423.945 1.102 20 0 HDADLO CCCSc1ncnc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1OC ZINC001164721814 720308943 /nfs/dbraw/zinc/30/89/43/720308943.db2.gz HYSUXURICLWBBY-FQEVSTJZSA-N 1 2 423.583 1.652 20 0 HDADLO CCCSc1ncnc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1OC ZINC001164721814 720308949 /nfs/dbraw/zinc/30/89/49/720308949.db2.gz HYSUXURICLWBBY-FQEVSTJZSA-N 1 2 423.583 1.652 20 0 HDADLO Cc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1Cl ZINC001164827005 720438969 /nfs/dbraw/zinc/43/89/69/720438969.db2.gz YDRKNHDAJRSKGP-HNNXBMFYSA-N 1 2 406.918 1.625 20 0 HDADLO CC(C)c1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164822364 720446175 /nfs/dbraw/zinc/44/61/75/720446175.db2.gz DEFRTWFZPBIZNU-QGZVFWFLSA-N 1 2 400.527 1.786 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3ncsc31)C2 ZINC001164829590 720465816 /nfs/dbraw/zinc/46/58/16/720465816.db2.gz GEQXFFUASIITJT-OAHLLOKOSA-N 1 2 414.535 1.877 20 0 HDADLO CC(C)Oc1cncc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829256 720471887 /nfs/dbraw/zinc/47/18/87/720471887.db2.gz DVEXPERRFPGZOD-QGZVFWFLSA-N 1 2 416.526 1.450 20 0 HDADLO CCc1c(Cl)ncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831207 720473254 /nfs/dbraw/zinc/47/32/54/720473254.db2.gz NPQOYMRQJGHRBW-HNNXBMFYSA-N 1 2 420.945 1.879 20 0 HDADLO Cc1cnc2c(ccnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164835490 720476686 /nfs/dbraw/zinc/47/66/86/720476686.db2.gz YQNPCLJBTYIPOR-KRWDZBQOSA-N 1 2 423.521 1.519 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164859411 720896412 /nfs/dbraw/zinc/89/64/12/720896412.db2.gz QAZFXMJYXJNQLK-UHFFFAOYSA-N 1 2 423.811 1.767 20 0 HDADLO COC(=O)Cc1c(Cl)ncnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011686 721700239 /nfs/dbraw/zinc/70/02/39/721700239.db2.gz VYKRPBOTKQBFRT-UHFFFAOYSA-N 1 2 407.906 1.688 20 0 HDADLO COC(=O)Cc1c(Cl)ncnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011686 721700246 /nfs/dbraw/zinc/70/02/46/721700246.db2.gz VYKRPBOTKQBFRT-UHFFFAOYSA-N 1 2 407.906 1.688 20 0 HDADLO COC(=O)c1cc2cnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2n1C ZINC001165010076 721711303 /nfs/dbraw/zinc/71/13/03/721711303.db2.gz YRKIUEUOWCSVAA-UHFFFAOYSA-N 1 2 412.498 1.597 20 0 HDADLO COC(=O)c1cc2cnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2n1C ZINC001165010076 721711308 /nfs/dbraw/zinc/71/13/08/721711308.db2.gz YRKIUEUOWCSVAA-UHFFFAOYSA-N 1 2 412.498 1.597 20 0 HDADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cn1 ZINC001164915539 721780645 /nfs/dbraw/zinc/78/06/45/721780645.db2.gz KZWOIYNCJBWVHD-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cn1 ZINC001164915539 721780646 /nfs/dbraw/zinc/78/06/46/721780646.db2.gz KZWOIYNCJBWVHD-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO COc1cnnc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916425 721781920 /nfs/dbraw/zinc/78/19/20/721781920.db2.gz QTIUNSLWUJJLDU-LJQANCHMSA-N 1 2 405.886 1.641 20 0 HDADLO COc1cnnc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916425 721781922 /nfs/dbraw/zinc/78/19/22/721781922.db2.gz QTIUNSLWUJJLDU-LJQANCHMSA-N 1 2 405.886 1.641 20 0 HDADLO Cn1c(=O)ccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164916069 721783781 /nfs/dbraw/zinc/78/37/81/721783781.db2.gz OTGZJULLYMCJFP-QHCPKHFHSA-N 1 2 421.501 1.436 20 0 HDADLO Cn1c(=O)ccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164916069 721783783 /nfs/dbraw/zinc/78/37/83/721783783.db2.gz OTGZJULLYMCJFP-QHCPKHFHSA-N 1 2 421.501 1.436 20 0 HDADLO Cc1cn(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cn1 ZINC001164916033 721789705 /nfs/dbraw/zinc/78/97/05/721789705.db2.gz OBFWIIMSENBWSA-QFIPXVFZSA-N 1 2 421.505 1.474 20 0 HDADLO Cc1cn(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cn1 ZINC001164916033 721789708 /nfs/dbraw/zinc/78/97/08/721789708.db2.gz OBFWIIMSENBWSA-QFIPXVFZSA-N 1 2 421.505 1.474 20 0 HDADLO Nc1cc(F)c(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917486 721791180 /nfs/dbraw/zinc/79/11/80/721791180.db2.gz XOXODXIOWXYNHG-IBGZPJMESA-N 1 2 407.877 1.959 20 0 HDADLO Nc1cc(F)c(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917486 721791181 /nfs/dbraw/zinc/79/11/81/721791181.db2.gz XOXODXIOWXYNHG-IBGZPJMESA-N 1 2 407.877 1.959 20 0 HDADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164916291 721814898 /nfs/dbraw/zinc/81/48/98/721814898.db2.gz BVGVYAVUANJRTK-UHFFFAOYSA-N 1 2 400.483 1.608 20 0 HDADLO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165040168 721915405 /nfs/dbraw/zinc/91/54/05/721915405.db2.gz ZBPZWUNHRPGPLE-NSHDSACASA-N 1 2 410.874 1.228 20 0 HDADLO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944363 721972155 /nfs/dbraw/zinc/97/21/55/721972155.db2.gz HUTDPAMWABMWHN-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944363 721972157 /nfs/dbraw/zinc/97/21/57/721972157.db2.gz HUTDPAMWABMWHN-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000429053141 1073480996 /nfs/dbraw/zinc/48/09/96/1073480996.db2.gz CZDIMAFOWGMQPT-INIZCTEOSA-N 1 2 406.508 1.919 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@H](OCc2ccncc2)C1 ZINC000509087775 1073496497 /nfs/dbraw/zinc/49/64/97/1073496497.db2.gz UDWFGZWWFZHYEZ-FQEVSTJZSA-N 1 2 423.517 1.723 20 0 HDADLO COC(=O)[C@H]1CCCN(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC001128520452 1073611267 /nfs/dbraw/zinc/61/12/67/1073611267.db2.gz GXNDIDLREDLZQT-KRWDZBQOSA-N 1 2 402.495 1.337 20 0 HDADLO COCc1cccc(C[N@@H+]2CCO[C@@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001108085428 1073661589 /nfs/dbraw/zinc/66/15/89/1073661589.db2.gz YYFOKZJKCPYNLX-OJMNFPMESA-N 1 2 400.519 1.964 20 0 HDADLO COCc1cccc(C[N@H+]2CCO[C@@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001108085428 1073661594 /nfs/dbraw/zinc/66/15/94/1073661594.db2.gz YYFOKZJKCPYNLX-OJMNFPMESA-N 1 2 400.519 1.964 20 0 HDADLO O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000429117940 1073683841 /nfs/dbraw/zinc/68/38/41/1073683841.db2.gz WCEARBDQURMDNU-QWFCFKBJSA-N 1 2 418.563 1.762 20 0 HDADLO CN(C(=O)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1)C1CCOCC1 ZINC000429120436 1073693556 /nfs/dbraw/zinc/69/35/56/1073693556.db2.gz GZEWRKZIQMPQIX-FQEVSTJZSA-N 1 2 416.522 1.876 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)c1ccccn1 ZINC000509136323 1073703273 /nfs/dbraw/zinc/70/32/73/1073703273.db2.gz IATQXBSWXGFCPA-IBGZPJMESA-N 1 2 420.491 1.044 20 0 HDADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000429127259 1073705063 /nfs/dbraw/zinc/70/50/63/1073705063.db2.gz BSRAKCLDGFBGCM-GOSISDBHSA-N 1 2 424.567 1.660 20 0 HDADLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000429127259 1073705069 /nfs/dbraw/zinc/70/50/69/1073705069.db2.gz BSRAKCLDGFBGCM-GOSISDBHSA-N 1 2 424.567 1.660 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCCNS(=O)(=O)c3ccccc3)[nH+]c12 ZINC000673770239 1073714223 /nfs/dbraw/zinc/71/42/23/1073714223.db2.gz QJXDCPADDROGFR-UHFFFAOYSA-N 1 2 401.492 1.463 20 0 HDADLO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000673781714 1073717274 /nfs/dbraw/zinc/71/72/74/1073717274.db2.gz FQAYZZVGVSOWNC-KRWDZBQOSA-N 1 2 402.495 1.524 20 0 HDADLO COCCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782373 1073718363 /nfs/dbraw/zinc/71/83/63/1073718363.db2.gz BSSUMSVOTCXFTA-MRXNPFEDSA-N 1 2 409.458 1.113 20 0 HDADLO COCCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782369 1073718424 /nfs/dbraw/zinc/71/84/24/1073718424.db2.gz BSSUMSVOTCXFTA-INIZCTEOSA-N 1 2 409.458 1.113 20 0 HDADLO O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782257 1073718918 /nfs/dbraw/zinc/71/89/18/1073718918.db2.gz AWLQITDTGJYQPM-INIZCTEOSA-N 1 2 418.469 1.214 20 0 HDADLO COCCOc1cc(C)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782162 1073718948 /nfs/dbraw/zinc/71/89/48/1073718948.db2.gz OGBLONGWRCKSIZ-KRWDZBQOSA-N 1 2 405.495 1.282 20 0 HDADLO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781884 1073719929 /nfs/dbraw/zinc/71/99/29/1073719929.db2.gz JWPBBPUXMPDHSI-GOSISDBHSA-N 1 2 416.522 1.395 20 0 HDADLO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781885 1073719962 /nfs/dbraw/zinc/71/99/62/1073719962.db2.gz JWPBBPUXMPDHSI-SFHVURJKSA-N 1 2 416.522 1.395 20 0 HDADLO O=C(Nc1ccc(OCc2ccncc2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784310 1073724994 /nfs/dbraw/zinc/72/49/94/1073724994.db2.gz IXMDSJRXQYUOMV-NRFANRHFSA-N 1 2 424.501 1.922 20 0 HDADLO O=C(Nc1ccc(OCc2ccccc2)nc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785245 1073728265 /nfs/dbraw/zinc/72/82/65/1073728265.db2.gz PJGSUEPOJIOJAX-HXUWFJFHSA-N 1 2 424.501 1.922 20 0 HDADLO O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785023 1073730025 /nfs/dbraw/zinc/73/00/25/1073730025.db2.gz MTLPBXPTFKQGFV-ZDUSSCGKSA-N 1 2 401.385 1.689 20 0 HDADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673787686 1073740015 /nfs/dbraw/zinc/74/00/15/1073740015.db2.gz UWTYSTQKTNCSMB-UHFFFAOYSA-N 1 2 423.473 1.455 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)[nH+]c12 ZINC000673789715 1073743708 /nfs/dbraw/zinc/74/37/08/1073743708.db2.gz YOYLESJIJWPCPU-UHFFFAOYSA-N 1 2 406.446 1.470 20 0 HDADLO C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCOc2ccc(F)cc2)CCO1 ZINC001108090493 1073779144 /nfs/dbraw/zinc/77/91/44/1073779144.db2.gz VXHICFGHNIQRJM-MGKGBGQOSA-N 1 2 404.482 1.835 20 0 HDADLO C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@@H+](CCOc2ccc(F)cc2)CCO1 ZINC001108090493 1073779147 /nfs/dbraw/zinc/77/91/47/1073779147.db2.gz VXHICFGHNIQRJM-MGKGBGQOSA-N 1 2 404.482 1.835 20 0 HDADLO CC(C)(C)C(=O)N1CCC(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000673872688 1073837484 /nfs/dbraw/zinc/83/74/84/1073837484.db2.gz VEFJJGGFOGGAJO-UHFFFAOYSA-N 1 2 406.531 1.374 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 ZINC000673881090 1073853303 /nfs/dbraw/zinc/85/33/03/1073853303.db2.gz XHZJBTFCFDMOPU-RTBURBONSA-N 1 2 411.506 1.783 20 0 HDADLO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2nnnn2-c2ccccc2)c1OC ZINC000543501005 1073863769 /nfs/dbraw/zinc/86/37/69/1073863769.db2.gz CFHOJOWYSOLADK-OAHLLOKOSA-N 1 2 410.478 1.989 20 0 HDADLO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)c1 ZINC000673913422 1073881135 /nfs/dbraw/zinc/88/11/35/1073881135.db2.gz JZLVEQFWRXUGQD-LEWJYISDSA-N 1 2 424.501 1.985 20 0 HDADLO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2=O)c1 ZINC000673913422 1073881145 /nfs/dbraw/zinc/88/11/45/1073881145.db2.gz JZLVEQFWRXUGQD-LEWJYISDSA-N 1 2 424.501 1.985 20 0 HDADLO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000030132726 1073917307 /nfs/dbraw/zinc/91/73/07/1073917307.db2.gz INLIKEYKQRNJBI-AWEZNQCLSA-N 1 2 402.561 1.327 20 0 HDADLO COc1cc(C[N@@H+]2CC[C@H](NS(=O)(=O)c3cccc4c3OCO4)C2)cc(OC)c1 ZINC000509175461 1073927804 /nfs/dbraw/zinc/92/78/04/1073927804.db2.gz NCBWIWMMAFZOEG-HNNXBMFYSA-N 1 2 420.487 1.985 20 0 HDADLO COc1cc(C[N@H+]2CC[C@H](NS(=O)(=O)c3cccc4c3OCO4)C2)cc(OC)c1 ZINC000509175461 1073927807 /nfs/dbraw/zinc/92/78/07/1073927807.db2.gz NCBWIWMMAFZOEG-HNNXBMFYSA-N 1 2 420.487 1.985 20 0 HDADLO O=C(NC1CCN(c2cccnn2)CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000429176031 1073952460 /nfs/dbraw/zinc/95/24/60/1073952460.db2.gz MAYWKPVSGCEVPB-UHFFFAOYSA-N 1 2 410.522 1.852 20 0 HDADLO CNC(=O)Cc1nc(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cs1 ZINC000673970916 1073956671 /nfs/dbraw/zinc/95/66/71/1073956671.db2.gz KMETXARQQUQDMQ-MRXNPFEDSA-N 1 2 413.507 1.040 20 0 HDADLO CNC(=O)Cc1nc(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cs1 ZINC000673970916 1073956675 /nfs/dbraw/zinc/95/66/75/1073956675.db2.gz KMETXARQQUQDMQ-MRXNPFEDSA-N 1 2 413.507 1.040 20 0 HDADLO O=C(/C=C/C1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001005039904 1073977168 /nfs/dbraw/zinc/97/71/68/1073977168.db2.gz LTXSKWJJBQYKTA-USYVYKCFSA-N 1 2 403.523 1.081 20 0 HDADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000509187415 1073997887 /nfs/dbraw/zinc/99/78/87/1073997887.db2.gz UYVWGTYZWTWESV-UHFFFAOYSA-N 1 2 403.527 1.580 20 0 HDADLO O=C(Nc1cccc(OCc2cccc(F)c2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543527727 1074016120 /nfs/dbraw/zinc/01/61/20/1074016120.db2.gz IUECFPUMAVPUEF-UHFFFAOYSA-N 1 2 401.438 1.480 20 0 HDADLO CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000509192296 1074027816 /nfs/dbraw/zinc/02/78/16/1074027816.db2.gz AQJLZEIGXUDPEE-QLVMHMETSA-N 1 2 415.538 1.770 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)s[nH]2)c1 ZINC000543533283 1074030470 /nfs/dbraw/zinc/03/04/70/1074030470.db2.gz JFAOYCKNWQKKKY-GFCCVEGCSA-N 1 2 401.492 1.175 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)s[nH]2)c1 ZINC000543533283 1074030476 /nfs/dbraw/zinc/03/04/76/1074030476.db2.gz JFAOYCKNWQKKKY-GFCCVEGCSA-N 1 2 401.492 1.175 20 0 HDADLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N3CCC(C(N)=O)CC3)n2)c1 ZINC000543543459 1074050844 /nfs/dbraw/zinc/05/08/44/1074050844.db2.gz TVCHPHLNWMJJBT-CHWSQXEVSA-N 1 2 401.467 1.508 20 0 HDADLO CC[C@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001626093526 1074074226 /nfs/dbraw/zinc/07/42/26/1074074226.db2.gz MOCPQUFUSMGBBD-RBUKOAKNSA-N 1 2 417.554 1.126 20 0 HDADLO CC[C@H](C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001626093526 1074074227 /nfs/dbraw/zinc/07/42/27/1074074227.db2.gz MOCPQUFUSMGBBD-RBUKOAKNSA-N 1 2 417.554 1.126 20 0 HDADLO C[C@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)n1ccc(C(F)(F)F)n1 ZINC001626094165 1074080496 /nfs/dbraw/zinc/08/04/96/1074080496.db2.gz SLMJSGRNGKLYML-CQSZACIVSA-N 1 2 424.427 1.713 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)ccc1F ZINC000674023227 1074081763 /nfs/dbraw/zinc/08/17/63/1074081763.db2.gz FPLAEKDGNPTBAH-AWEZNQCLSA-N 1 2 410.508 1.484 20 0 HDADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000543555500 1074083081 /nfs/dbraw/zinc/08/30/81/1074083081.db2.gz UBZAGXYWSJFAMJ-CQSZACIVSA-N 1 2 411.462 1.290 20 0 HDADLO CC(C)(CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000674028827 1074094868 /nfs/dbraw/zinc/09/48/68/1074094868.db2.gz LRVXPOOQTUAMBH-UHFFFAOYSA-N 1 2 413.540 1.020 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000766055354 1074124224 /nfs/dbraw/zinc/12/42/24/1074124224.db2.gz TYWUCBFAXYRAIU-HNNXBMFYSA-N 1 2 412.430 1.260 20 0 HDADLO CCN(C(=O)C[NH2+][C@@H](C)c1ccon1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000543573346 1074143121 /nfs/dbraw/zinc/14/31/21/1074143121.db2.gz AENXHYDKCFVGPS-ZDUSSCGKSA-N 1 2 412.450 1.271 20 0 HDADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766058943 1074167265 /nfs/dbraw/zinc/16/72/65/1074167265.db2.gz HAYDMMNEJCUMOI-SJORKVTESA-N 1 2 419.588 1.712 20 0 HDADLO COc1cc(C[NH+]2CCN(c3cncc(-n4cncn4)n3)CC2)cc(OC)c1OC ZINC000674066834 1074176835 /nfs/dbraw/zinc/17/68/35/1074176835.db2.gz ASLSWZWJZJAUQS-UHFFFAOYSA-N 1 2 411.466 1.405 20 0 HDADLO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674192751 1074205770 /nfs/dbraw/zinc/20/57/70/1074205770.db2.gz KVJPVYGXNKEJSV-UHFFFAOYSA-N 1 2 424.501 1.858 20 0 HDADLO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674202303 1074218569 /nfs/dbraw/zinc/21/85/69/1074218569.db2.gz QZGCTIBELIPVLT-QGZVFWFLSA-N 1 2 419.507 1.837 20 0 HDADLO O=C(Nc1ccccc1CN1C(=O)CCC1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202485 1074218585 /nfs/dbraw/zinc/21/85/85/1074218585.db2.gz AOUMVIHDSBRPAN-MRXNPFEDSA-N 1 2 409.446 1.334 20 0 HDADLO COc1nc(N2CCC[C@H](n3ccnc3)C2)nc(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000674246359 1074242326 /nfs/dbraw/zinc/24/23/26/1074242326.db2.gz CPEXDYJRCMWHIN-IRXDYDNUSA-N 1 2 409.498 1.956 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000674400690 1074308509 /nfs/dbraw/zinc/30/85/09/1074308509.db2.gz MXZCEMZHRXIZJG-RBUKOAKNSA-N 1 2 401.511 1.038 20 0 HDADLO COC[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000674399329 1074311061 /nfs/dbraw/zinc/31/10/61/1074311061.db2.gz YXMGIFJUAUDJTA-SJORKVTESA-N 1 2 419.444 1.727 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000674428098 1074330603 /nfs/dbraw/zinc/33/06/03/1074330603.db2.gz XFIYMRVHWRRVOC-HRAATJIYSA-N 1 2 414.510 1.592 20 0 HDADLO O=C(C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000674459034 1074362500 /nfs/dbraw/zinc/36/25/00/1074362500.db2.gz FSWRKPHQFSDYLB-RYUDHWBXSA-N 1 2 401.351 1.740 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@H](C)c3ccc(Br)cc3)CCN2C1=O ZINC000674469215 1074367363 /nfs/dbraw/zinc/36/73/63/1074367363.db2.gz CMNXFMXMPHBNKB-IUODEOHRSA-N 1 2 423.311 1.595 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@H](C)c3ccc(Br)cc3)CCN2C1=O ZINC000674469215 1074367370 /nfs/dbraw/zinc/36/73/70/1074367370.db2.gz CMNXFMXMPHBNKB-IUODEOHRSA-N 1 2 423.311 1.595 20 0 HDADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495317 1074404087 /nfs/dbraw/zinc/40/40/87/1074404087.db2.gz FEEOMODJQHKUFX-AWEZNQCLSA-N 1 2 410.565 1.611 20 0 HDADLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674495317 1074404092 /nfs/dbraw/zinc/40/40/92/1074404092.db2.gz FEEOMODJQHKUFX-AWEZNQCLSA-N 1 2 410.565 1.611 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC2(CS(C)(=O)=O)CC2)CC1 ZINC000674554109 1074437000 /nfs/dbraw/zinc/43/70/00/1074437000.db2.gz LQECRPAZVQTJCL-UHFFFAOYSA-N 1 2 408.524 1.021 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCc2cc(C)cc(C)c2)CC1 ZINC000509230324 1074465547 /nfs/dbraw/zinc/46/55/47/1074465547.db2.gz SSXAZUFRMRGFGT-UHFFFAOYSA-N 1 2 416.566 1.365 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCc2cc(C)cc(C)c2)CC1 ZINC000509230324 1074465550 /nfs/dbraw/zinc/46/55/50/1074465550.db2.gz SSXAZUFRMRGFGT-UHFFFAOYSA-N 1 2 416.566 1.365 20 0 HDADLO COCCn1cc(S(=O)(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000509231668 1074484259 /nfs/dbraw/zinc/48/42/59/1074484259.db2.gz GNYIOIOLYXICGP-INIZCTEOSA-N 1 2 421.523 1.028 20 0 HDADLO COCCn1cc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000509231668 1074484261 /nfs/dbraw/zinc/48/42/61/1074484261.db2.gz GNYIOIOLYXICGP-INIZCTEOSA-N 1 2 421.523 1.028 20 0 HDADLO NC(=O)c1cc(NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)ccc1F ZINC000141866905 1074493806 /nfs/dbraw/zinc/49/38/06/1074493806.db2.gz FDXVLPVWSAHXKP-UHFFFAOYSA-N 1 2 416.453 1.957 20 0 HDADLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000429236208 1074499276 /nfs/dbraw/zinc/49/92/76/1074499276.db2.gz LOVSRSZKVFFEEK-KRWDZBQOSA-N 1 2 414.481 1.914 20 0 HDADLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000429236208 1074499280 /nfs/dbraw/zinc/49/92/80/1074499280.db2.gz LOVSRSZKVFFEEK-KRWDZBQOSA-N 1 2 414.481 1.914 20 0 HDADLO CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC001033907246 1074500709 /nfs/dbraw/zinc/50/07/09/1074500709.db2.gz SARXYSZEEGQYGM-YYXZMQKJSA-N 1 2 401.511 1.013 20 0 HDADLO CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC001033907246 1074500717 /nfs/dbraw/zinc/50/07/17/1074500717.db2.gz SARXYSZEEGQYGM-YYXZMQKJSA-N 1 2 401.511 1.013 20 0 HDADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 ZINC001128800316 1074540536 /nfs/dbraw/zinc/54/05/36/1074540536.db2.gz KUHPSOPQTVLWAD-CVEARBPZSA-N 1 2 422.530 1.128 20 0 HDADLO C[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000674732809 1074542513 /nfs/dbraw/zinc/54/25/13/1074542513.db2.gz RGBFEKDIQOHMNW-BZUAXINKSA-N 1 2 400.516 1.994 20 0 HDADLO O=C(CN1CCCC2(CC2)S1(=O)=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001128814153 1074551042 /nfs/dbraw/zinc/55/10/42/1074551042.db2.gz FZCPYAKCHHPMOI-UHFFFAOYSA-N 1 2 412.581 1.566 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)c1ccccc1 ZINC000674764384 1074557445 /nfs/dbraw/zinc/55/74/45/1074557445.db2.gz XOHCCVOJJDJPBC-KRWDZBQOSA-N 1 2 416.445 1.435 20 0 HDADLO Cc1c[nH+]c(N2CCO[C@H]([C@@H]3CCCO3)C2)nc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674935336 1074637063 /nfs/dbraw/zinc/63/70/63/1074637063.db2.gz PPELYAOCRRIHIN-HCXYKTFWSA-N 1 2 404.511 1.553 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000674975735 1074649669 /nfs/dbraw/zinc/64/96/69/1074649669.db2.gz NUROGRKFWATEKQ-OALUTQOASA-N 1 2 402.495 1.486 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674981692 1074657183 /nfs/dbraw/zinc/65/71/83/1074657183.db2.gz WWHOMXPYXWSBJG-NJYVYQBISA-N 1 2 403.523 1.519 20 0 HDADLO COC(=O)CC1(CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CCOCC1 ZINC000560779146 1074695159 /nfs/dbraw/zinc/69/51/59/1074695159.db2.gz SBKWDGANEHTYLQ-UHFFFAOYSA-N 1 2 412.490 2.487 20 0 HDADLO Cc1cc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)nn1-c1ccc(C)cc1 ZINC000537272864 1074714889 /nfs/dbraw/zinc/71/48/89/1074714889.db2.gz HHIJKVCBYNALBT-UHFFFAOYSA-N 1 2 413.522 1.997 20 0 HDADLO CC(C)OC(=O)C[C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000766090480 1074716777 /nfs/dbraw/zinc/71/67/77/1074716777.db2.gz UEODEFQHTPGDJS-MRXNPFEDSA-N 1 2 417.572 1.259 20 0 HDADLO C[C@H](CN1CCOCC1)Nc1nc2ncccc2nc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000675143048 1074741634 /nfs/dbraw/zinc/74/16/34/1074741634.db2.gz MZKRVYZSUQKWKC-DLBZAZTESA-N 1 2 415.542 1.290 20 0 HDADLO Cc1cc(NC(=O)C(=O)NCCn2cc[nH+]c2)nn1CCCOc1ccc(F)cc1 ZINC000504636891 1074750632 /nfs/dbraw/zinc/75/06/32/1074750632.db2.gz UZVHROIOCSHCNU-UHFFFAOYSA-N 1 2 414.441 1.751 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000675219173 1074761102 /nfs/dbraw/zinc/76/11/02/1074761102.db2.gz DWCQUNTXRQUADM-HZPDHXFCSA-N 1 2 413.565 1.143 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000675252279 1074778369 /nfs/dbraw/zinc/77/83/69/1074778369.db2.gz XYUVFLPISYKDPV-AUUYWEPGSA-N 1 2 401.486 1.998 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000675252279 1074778379 /nfs/dbraw/zinc/77/83/79/1074778379.db2.gz XYUVFLPISYKDPV-AUUYWEPGSA-N 1 2 401.486 1.998 20 0 HDADLO O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000429326207 1074778769 /nfs/dbraw/zinc/77/87/69/1074778769.db2.gz CQPFVWJKWQGMTN-LEWJYISDSA-N 1 2 414.550 1.726 20 0 HDADLO C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@H]1n1cc[nH+]c1 ZINC000675256278 1074779563 /nfs/dbraw/zinc/77/95/63/1074779563.db2.gz ZZCSDYCUMJCJSX-LSDHHAIUSA-N 1 2 408.480 1.220 20 0 HDADLO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280040 1074784241 /nfs/dbraw/zinc/78/42/41/1074784241.db2.gz BOQQNOGOCSYTQV-INIZCTEOSA-N 1 2 409.552 1.619 20 0 HDADLO O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280569 1074785703 /nfs/dbraw/zinc/78/57/03/1074785703.db2.gz IRDAKBZTGIUKBQ-IBGZPJMESA-N 1 2 421.563 1.798 20 0 HDADLO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675281219 1074786086 /nfs/dbraw/zinc/78/60/86/1074786086.db2.gz PSDDUXKXDROFNT-AWEZNQCLSA-N 1 2 421.295 1.092 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000675281946 1074786189 /nfs/dbraw/zinc/78/61/89/1074786189.db2.gz XLHLGVVZTILSDF-VXKWHMMOSA-N 1 2 407.514 1.961 20 0 HDADLO CCOc1ccc(C(=O)N[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000675282094 1074786223 /nfs/dbraw/zinc/78/62/23/1074786223.db2.gz ZZVHDYBEKPUAAE-QUCCMNQESA-N 1 2 403.523 1.773 20 0 HDADLO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000675281460 1074786545 /nfs/dbraw/zinc/78/65/45/1074786545.db2.gz RLZSGCCAHMRSAV-QUCCMNQESA-N 1 2 403.498 1.540 20 0 HDADLO O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675291512 1074788197 /nfs/dbraw/zinc/78/81/97/1074788197.db2.gz AIDXVGJOGHCAEO-QZTJIDSGSA-N 1 2 413.453 1.103 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000675291422 1074788497 /nfs/dbraw/zinc/78/84/97/1074788497.db2.gz PYPUANNVXVHNCE-UHFFFAOYSA-N 1 2 405.476 1.088 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000675291422 1074788502 /nfs/dbraw/zinc/78/85/02/1074788502.db2.gz PYPUANNVXVHNCE-UHFFFAOYSA-N 1 2 405.476 1.088 20 0 HDADLO O=C(CN1C[C@@H](CO)Oc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000675306777 1074795777 /nfs/dbraw/zinc/79/57/77/1074795777.db2.gz UHEBLYZUFOXRAP-FQEVSTJZSA-N 1 2 411.502 1.395 20 0 HDADLO COC(=O)c1c(F)ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1C ZINC000567653671 1074796792 /nfs/dbraw/zinc/79/67/92/1074796792.db2.gz FJJCQOQPHINRKS-UHFFFAOYSA-N 1 2 405.430 2.093 20 0 HDADLO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675326167 1074799877 /nfs/dbraw/zinc/79/98/77/1074799877.db2.gz KEVWOJBNMBSTAG-IRXDYDNUSA-N 1 2 415.881 1.622 20 0 HDADLO Cc1cn2cc(NC(=O)C(=O)NC[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)ccc2[nH+]1 ZINC000509324133 1075095351 /nfs/dbraw/zinc/09/53/51/1075095351.db2.gz VNRIHWOLNJJOHK-CABCVRRESA-N 1 2 410.434 1.878 20 0 HDADLO COc1cc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000785481812 1075151717 /nfs/dbraw/zinc/15/17/17/1075151717.db2.gz JZWSLRJMNMDEOU-UHFFFAOYSA-N 1 2 424.457 1.831 20 0 HDADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000042384641 1075157591 /nfs/dbraw/zinc/15/75/91/1075157591.db2.gz MOQMWCUNESJHRO-CABCVRRESA-N 1 2 410.921 1.709 20 0 HDADLO COCCN(C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000542592869 1075164275 /nfs/dbraw/zinc/16/42/75/1075164275.db2.gz JKPKRWQKBHTBOB-SFHVURJKSA-N 1 2 418.519 1.673 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000467391472 1075187432 /nfs/dbraw/zinc/18/74/32/1075187432.db2.gz RPAFCTRZCJMKNL-SFHVURJKSA-N 1 2 419.913 2.474 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000485966867 1075190519 /nfs/dbraw/zinc/19/05/19/1075190519.db2.gz ZLYXGWOGAIHPKS-ROUUACIJSA-N 1 2 403.527 1.583 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cn2ccc(Br)cc2n1 ZINC000511743139 1075191744 /nfs/dbraw/zinc/19/17/44/1075191744.db2.gz RVVZILMIVYDPRI-UHFFFAOYSA-N 1 2 419.283 1.878 20 0 HDADLO COc1ccc([C@@H](CNC(=O)N2CCC(S(C)(=O)=O)CC2)[NH+](C)C)cc1OC ZINC000675529163 1075200694 /nfs/dbraw/zinc/20/06/94/1075200694.db2.gz MDKWVRGXNDOLHX-MRXNPFEDSA-N 1 2 413.540 1.525 20 0 HDADLO Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)no1 ZINC000431922983 1075212500 /nfs/dbraw/zinc/21/25/00/1075212500.db2.gz LWSQHWJEBSWDRN-CQSZACIVSA-N 1 2 419.507 2.222 20 0 HDADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675590054 1075228501 /nfs/dbraw/zinc/22/85/01/1075228501.db2.gz QLOYYURICSYFIT-INIZCTEOSA-N 1 2 412.425 1.642 20 0 HDADLO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000675622391 1075241445 /nfs/dbraw/zinc/24/14/45/1075241445.db2.gz DPDPARLTZSOYTD-HNNXBMFYSA-N 1 2 424.548 1.785 20 0 HDADLO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000675622391 1075241449 /nfs/dbraw/zinc/24/14/49/1075241449.db2.gz DPDPARLTZSOYTD-HNNXBMFYSA-N 1 2 424.548 1.785 20 0 HDADLO O=S(=O)(CCNc1ncnc2c1CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000675631728 1075248579 /nfs/dbraw/zinc/24/85/79/1075248579.db2.gz YHURPAQQQJCUTC-UHFFFAOYSA-N 1 2 402.524 1.314 20 0 HDADLO CCCCN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000429372103 1075255782 /nfs/dbraw/zinc/25/57/82/1075255782.db2.gz KYNCOZHUTDBULY-RYRKJORJSA-N 1 2 402.557 1.322 20 0 HDADLO CCCCN(C(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000429372103 1075255785 /nfs/dbraw/zinc/25/57/85/1075255785.db2.gz KYNCOZHUTDBULY-RYRKJORJSA-N 1 2 402.557 1.322 20 0 HDADLO CC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000675701759 1075256333 /nfs/dbraw/zinc/25/63/33/1075256333.db2.gz FCVLMBUCUAGMRK-RBUKOAKNSA-N 1 2 402.495 1.367 20 0 HDADLO Cc1cc([C@@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(C)s1 ZINC000533318862 1075258871 /nfs/dbraw/zinc/25/88/71/1075258871.db2.gz MZAUIKLRAONGQR-CQSZACIVSA-N 1 2 405.524 1.710 20 0 HDADLO C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000675744973 1075267505 /nfs/dbraw/zinc/26/75/05/1075267505.db2.gz QJQNYNSCZKHZQV-OAHLLOKOSA-N 1 2 422.489 1.970 20 0 HDADLO CS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)c1 ZINC001129106812 1075289850 /nfs/dbraw/zinc/28/98/50/1075289850.db2.gz BJXQMMQKRZUYKI-UHFFFAOYSA-N 1 2 402.407 1.766 20 0 HDADLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCNS(=O)(=O)c1cccnc1 ZINC000543649524 1075290041 /nfs/dbraw/zinc/29/00/41/1075290041.db2.gz AXTUJZXUCCXZJZ-UHFFFAOYSA-N 1 2 403.913 1.207 20 0 HDADLO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000429383006 1075298514 /nfs/dbraw/zinc/29/85/14/1075298514.db2.gz DGVSPLVKDFLLIN-ZWKOTPCHSA-N 1 2 406.914 1.952 20 0 HDADLO CCOC1CC(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)([NH+]2CCOCC2)C1 ZINC000470203758 1075302711 /nfs/dbraw/zinc/30/27/11/1075302711.db2.gz FCEKJANSVSNXRG-DKTYTTGXSA-N 1 2 419.522 1.660 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000731337409 1075308991 /nfs/dbraw/zinc/30/89/91/1075308991.db2.gz ZXVSQPZSZJTZAQ-IBGZPJMESA-N 1 2 423.517 1.696 20 0 HDADLO CS(=O)(=O)Nc1ccc(/C=C\C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000731353712 1075316944 /nfs/dbraw/zinc/31/69/44/1075316944.db2.gz YRFJTHGHVFXODB-DAXSKMNVSA-N 1 2 419.507 1.239 20 0 HDADLO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000731355129 1075317645 /nfs/dbraw/zinc/31/76/45/1075317645.db2.gz NVPKUOVSLLEZAC-LBPRGKRZSA-N 1 2 409.512 1.341 20 0 HDADLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000509381829 1075352529 /nfs/dbraw/zinc/35/25/29/1075352529.db2.gz AHFGZZYDVBJVIL-GOEBONIOSA-N 1 2 419.503 1.829 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)CC1 ZINC000676102703 1075382809 /nfs/dbraw/zinc/38/28/09/1075382809.db2.gz BXBUGYZSBKCDDY-AWEZNQCLSA-N 1 2 408.449 1.707 20 0 HDADLO Cc1c(C(=O)N2CC[NH+](CCOC(C)C)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000470212639 1075384947 /nfs/dbraw/zinc/38/49/47/1075384947.db2.gz WTADWVSEEFNMBL-UHFFFAOYSA-N 1 2 415.494 1.530 20 0 HDADLO CC(C)[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1nnc2ccccn21 ZINC000804100916 1075401656 /nfs/dbraw/zinc/40/16/56/1075401656.db2.gz JEPNETDGAQRJGC-DOTOQJQBSA-N 1 2 409.494 1.682 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)n2)cc1 ZINC000547975925 1075405274 /nfs/dbraw/zinc/40/52/74/1075405274.db2.gz JSRBFEIRAOSNTE-FQEVSTJZSA-N 1 2 419.485 2.181 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)n2)cc1 ZINC000547975925 1075405277 /nfs/dbraw/zinc/40/52/77/1075405277.db2.gz JSRBFEIRAOSNTE-FQEVSTJZSA-N 1 2 419.485 2.181 20 0 HDADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000543661327 1075410794 /nfs/dbraw/zinc/41/07/94/1075410794.db2.gz CIEIBYJTLZVCJP-KRWDZBQOSA-N 1 2 412.494 1.608 20 0 HDADLO CCSc1nnc(NC(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)s1 ZINC000642400764 1075412479 /nfs/dbraw/zinc/41/24/79/1075412479.db2.gz KKOZQYJXGDAAJR-UHFFFAOYSA-N 1 2 400.574 2.058 20 0 HDADLO CCSc1nnc(NC(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)s1 ZINC000642400764 1075412488 /nfs/dbraw/zinc/41/24/88/1075412488.db2.gz KKOZQYJXGDAAJR-UHFFFAOYSA-N 1 2 400.574 2.058 20 0 HDADLO CCSc1nnc(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)s1 ZINC000515227997 1075413634 /nfs/dbraw/zinc/41/36/34/1075413634.db2.gz MYVURZNQMPOZAF-UHFFFAOYSA-N 1 2 405.513 1.681 20 0 HDADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466720003 1075421253 /nfs/dbraw/zinc/42/12/53/1075421253.db2.gz YNTSVKJFGVLUBL-BZUAXINKSA-N 1 2 408.520 1.892 20 0 HDADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731648445 1075426374 /nfs/dbraw/zinc/42/63/74/1075426374.db2.gz FQXNMMBBACMKRU-KDOFPFPSSA-N 1 2 407.536 1.520 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000731648817 1075430001 /nfs/dbraw/zinc/43/00/01/1075430001.db2.gz ISHRETUOHJEBAP-UHFFFAOYSA-N 1 2 410.927 1.765 20 0 HDADLO CC(C)NC(=O)Nc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650159 1075431412 /nfs/dbraw/zinc/43/14/12/1075431412.db2.gz GBZFSJKVKOUNNQ-UHFFFAOYSA-N 1 2 410.540 1.455 20 0 HDADLO C/C=C/c1ccc(OCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)c1 ZINC000731650281 1075432285 /nfs/dbraw/zinc/43/22/85/1075432285.db2.gz NXUZNEUZZRCKAE-SNAWJCMRSA-N 1 2 410.536 1.732 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000731650145 1075432669 /nfs/dbraw/zinc/43/26/69/1075432669.db2.gz DMMQIYDUELKBJO-UHFFFAOYSA-N 1 2 410.927 1.969 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731649693 1075433045 /nfs/dbraw/zinc/43/30/45/1075433045.db2.gz VOILZTDUSJQJRL-INIZCTEOSA-N 1 2 417.572 1.401 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 ZINC000731651075 1075434100 /nfs/dbraw/zinc/43/41/00/1075434100.db2.gz VMPHYCZXSPFFIZ-UHFFFAOYSA-N 1 2 403.504 1.693 20 0 HDADLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650629 1075435353 /nfs/dbraw/zinc/43/53/53/1075435353.db2.gz JTVNHQQVZQRWIN-CYBMUJFWSA-N 1 2 415.943 1.084 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000731686436 1075446074 /nfs/dbraw/zinc/44/60/74/1075446074.db2.gz VYHXYTWINUWAGC-UHFFFAOYSA-N 1 2 409.552 1.790 20 0 HDADLO CC(=O)Nc1cccc2c1CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C2 ZINC000731686443 1075446159 /nfs/dbraw/zinc/44/61/59/1075446159.db2.gz WHNIKLOMTPIZMP-UHFFFAOYSA-N 1 2 422.551 1.222 20 0 HDADLO COc1c(C)cc(CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1C ZINC000731686537 1075446186 /nfs/dbraw/zinc/44/61/86/1075446186.db2.gz YSUBRPNOYIKTCX-UHFFFAOYSA-N 1 2 411.568 1.962 20 0 HDADLO COc1ccc(C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731686272 1075447146 /nfs/dbraw/zinc/44/71/46/1075447146.db2.gz WCQRRJTVWCGIRJ-UHFFFAOYSA-N 1 2 411.568 1.781 20 0 HDADLO COc1ccccc1C[C@H]1CCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731687098 1075449741 /nfs/dbraw/zinc/44/97/41/1075449741.db2.gz XANBOHDMCKGAPG-LJQANCHMSA-N 1 2 423.579 1.921 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCc2c[nH]c3ccccc23)CC1 ZINC000731686736 1075450243 /nfs/dbraw/zinc/45/02/43/1075450243.db2.gz MSTZXCBMTUOJPZ-UHFFFAOYSA-N 1 2 406.552 1.909 20 0 HDADLO O=C1C(=O)N(C2CCCC2)C(=O)N1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000731661788 1075452191 /nfs/dbraw/zinc/45/21/91/1075452191.db2.gz CYUSFOUBZPZKJR-UHFFFAOYSA-N 1 2 424.299 1.973 20 0 HDADLO COc1ccc([C@@H](C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(C)c1OC ZINC000554477568 1075453177 /nfs/dbraw/zinc/45/31/77/1075453177.db2.gz SISMPUAMWRNJIV-MRXNPFEDSA-N 1 2 417.510 2.424 20 0 HDADLO Cc1ccc(OCCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731682024 1075465093 /nfs/dbraw/zinc/46/50/93/1075465093.db2.gz GIRUYVJCPBZTSG-UHFFFAOYSA-N 1 2 411.568 1.962 20 0 HDADLO CC(C)COC[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccco1 ZINC000731682941 1075466584 /nfs/dbraw/zinc/46/65/84/1075466584.db2.gz IPPGETICACSJRE-KRWDZBQOSA-N 1 2 415.556 1.802 20 0 HDADLO C[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)COCc1ccccc1 ZINC000731683582 1075467017 /nfs/dbraw/zinc/46/70/17/1075467017.db2.gz FSGKZWNUGSIAGO-KRWDZBQOSA-N 1 2 411.568 1.648 20 0 HDADLO Cc1cccc(C)c1OC[C@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731684250 1075467539 /nfs/dbraw/zinc/46/75/39/1075467539.db2.gz UFWUERYKYUMXPL-KRWDZBQOSA-N 1 2 411.568 1.879 20 0 HDADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000731683787 1075467840 /nfs/dbraw/zinc/46/78/40/1075467840.db2.gz HSRROPZABAUVAI-CQSZACIVSA-N 1 2 422.551 1.075 20 0 HDADLO C[C@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676251934 1075468521 /nfs/dbraw/zinc/46/85/21/1075468521.db2.gz SKBBKKJQLYTVCJ-LPHOPBHVSA-N 1 2 410.946 1.765 20 0 HDADLO C[C@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676251934 1075468522 /nfs/dbraw/zinc/46/85/22/1075468522.db2.gz SKBBKKJQLYTVCJ-LPHOPBHVSA-N 1 2 410.946 1.765 20 0 HDADLO CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448505661 1075478868 /nfs/dbraw/zinc/47/88/68/1075478868.db2.gz XWCYKQINFTWPNH-MRXNPFEDSA-N 1 2 417.535 1.751 20 0 HDADLO Cc1cc(Br)cn2cc(CCNC(=O)CCNS(C)(=O)=O)[nH+]c12 ZINC000546823496 1075487359 /nfs/dbraw/zinc/48/73/59/1075487359.db2.gz KTTCICBKBDNQHE-UHFFFAOYSA-N 1 2 403.302 1.003 20 0 HDADLO CC[C@H](C)n1nc(NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1C ZINC000576244542 1075493039 /nfs/dbraw/zinc/49/30/39/1075493039.db2.gz ZRYMUBCQPRYGRV-ZDUSSCGKSA-N 1 2 400.483 2.280 20 0 HDADLO O=C(NCc1ccc(F)cc1)c1nnc(CN2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000676317193 1075505638 /nfs/dbraw/zinc/50/56/38/1075505638.db2.gz ZFTYAMWIVIMALO-MRXNPFEDSA-N 1 2 405.499 1.514 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 ZINC000731752410 1075508669 /nfs/dbraw/zinc/50/86/69/1075508669.db2.gz DISFZOJXAKKHKL-UHFFFAOYSA-N 1 2 409.556 1.702 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000429422032 1075509054 /nfs/dbraw/zinc/50/90/54/1075509054.db2.gz GSPRYOKAOFJJOW-PKOBYXMFSA-N 1 2 400.523 1.682 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000429422027 1075509147 /nfs/dbraw/zinc/50/91/47/1075509147.db2.gz GSPRYOKAOFJJOW-IEBWSBKVSA-N 1 2 400.523 1.682 20 0 HDADLO Cc1cc(N2CCOCC2)ccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731752837 1075510206 /nfs/dbraw/zinc/51/02/06/1075510206.db2.gz RLSBHVDLWZBJAB-UHFFFAOYSA-N 1 2 424.567 1.462 20 0 HDADLO COc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)c1OC ZINC000731754319 1075510442 /nfs/dbraw/zinc/51/04/42/1075510442.db2.gz DQYXDJWIPVZWFT-UHFFFAOYSA-N 1 2 415.512 1.343 20 0 HDADLO CC(=O)N1CCCc2cc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)ccc21 ZINC000731753982 1075510870 /nfs/dbraw/zinc/51/08/70/1075510870.db2.gz VGEXIMRSSRJXCW-UHFFFAOYSA-N 1 2 422.551 1.616 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000676341931 1075514789 /nfs/dbraw/zinc/51/47/89/1075514789.db2.gz WTODXQCCQGTZEN-RTBURBONSA-N 1 2 421.563 1.329 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000731765435 1075518436 /nfs/dbraw/zinc/51/84/36/1075518436.db2.gz QRYUDYJLZQGBLW-UHFFFAOYSA-N 1 2 403.504 1.404 20 0 HDADLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676348141 1075520322 /nfs/dbraw/zinc/52/03/22/1075520322.db2.gz OPKJODMDIQTECI-JSGCOSHPSA-N 1 2 405.524 1.278 20 0 HDADLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676348141 1075520323 /nfs/dbraw/zinc/52/03/23/1075520323.db2.gz OPKJODMDIQTECI-JSGCOSHPSA-N 1 2 405.524 1.278 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676334205 1075523121 /nfs/dbraw/zinc/52/31/21/1075523121.db2.gz SIUYGTKIFOSLOI-GWCFXTLKSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676334205 1075523131 /nfs/dbraw/zinc/52/31/31/1075523131.db2.gz SIUYGTKIFOSLOI-GWCFXTLKSA-N 1 2 401.364 1.874 20 0 HDADLO Cc1nc(N[C@@H]2CCO[C@]3(CCOC3)C2)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)[nH+]1 ZINC000480450615 1075524977 /nfs/dbraw/zinc/52/49/77/1075524977.db2.gz VFBSKYOXSSLHRA-XNFNUYLZSA-N 1 2 405.499 1.680 20 0 HDADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000731826851 1075525605 /nfs/dbraw/zinc/52/56/05/1075525605.db2.gz MSIVNRCVIBENKM-AWEZNQCLSA-N 1 2 417.959 1.508 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)c2)cc[nH+]1 ZINC000561342692 1075538861 /nfs/dbraw/zinc/53/88/61/1075538861.db2.gz CQPSMRWWAYIHJU-SFHVURJKSA-N 1 2 417.535 1.941 20 0 HDADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000731873291 1075548545 /nfs/dbraw/zinc/54/85/45/1075548545.db2.gz NEVXGBVQRUEQPW-MRXNPFEDSA-N 1 2 417.579 1.608 20 0 HDADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000731873291 1075548548 /nfs/dbraw/zinc/54/85/48/1075548548.db2.gz NEVXGBVQRUEQPW-MRXNPFEDSA-N 1 2 417.579 1.608 20 0 HDADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccsc1 ZINC000509414144 1075550863 /nfs/dbraw/zinc/55/08/63/1075550863.db2.gz FLMQBHCRIWRIHZ-CQSZACIVSA-N 1 2 409.537 1.322 20 0 HDADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccsc1 ZINC000509414144 1075550869 /nfs/dbraw/zinc/55/08/69/1075550869.db2.gz FLMQBHCRIWRIHZ-CQSZACIVSA-N 1 2 409.537 1.322 20 0 HDADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1-c1ccccc1F ZINC000676451383 1075557137 /nfs/dbraw/zinc/55/71/37/1075557137.db2.gz FIZTWWNZKDJCAC-INIZCTEOSA-N 1 2 415.469 1.582 20 0 HDADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cnn1-c1ccccc1F ZINC000676451540 1075558305 /nfs/dbraw/zinc/55/83/05/1075558305.db2.gz FIZTWWNZKDJCAC-MRXNPFEDSA-N 1 2 415.469 1.582 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCCc2ccccn2)CC1 ZINC000676455441 1075559559 /nfs/dbraw/zinc/55/95/59/1075559559.db2.gz DGQICTIBKBWZSV-UHFFFAOYSA-N 1 2 409.490 1.157 20 0 HDADLO COc1ccc(OC)c(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c1 ZINC000676495299 1075564888 /nfs/dbraw/zinc/56/48/88/1075564888.db2.gz MBYDRGBVDVKRBX-UHFFFAOYSA-N 1 2 406.508 1.793 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000731966958 1075578908 /nfs/dbraw/zinc/57/89/08/1075578908.db2.gz VFYUMBJLDDZEKO-FPLPWBNLSA-N 1 2 407.474 1.481 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000731966957 1075579070 /nfs/dbraw/zinc/57/90/70/1075579070.db2.gz VFYUMBJLDDZEKO-BQYQJAHWSA-N 1 2 407.474 1.481 20 0 HDADLO Cc1ccc(NC(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000731974009 1075581242 /nfs/dbraw/zinc/58/12/42/1075581242.db2.gz SICYSTKDLVPUPA-SFHVURJKSA-N 1 2 403.479 1.190 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC(C2CCCC2)CC1 ZINC000676551076 1075584073 /nfs/dbraw/zinc/58/40/73/1075584073.db2.gz IXMFEMCMAPWHQG-UHFFFAOYSA-N 1 2 403.527 1.583 20 0 HDADLO C[C@H]1c2ccc(F)cc2CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000676551509 1075585528 /nfs/dbraw/zinc/58/55/28/1075585528.db2.gz KZPOYSLPFCDOQO-HNNXBMFYSA-N 1 2 415.469 1.439 20 0 HDADLO CCOC(=O)Nc1ccc(OC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000731991459 1075587117 /nfs/dbraw/zinc/58/71/17/1075587117.db2.gz QRLWIEYBQBUIQA-GOSISDBHSA-N 1 2 419.478 1.874 20 0 HDADLO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000429446588 1075593575 /nfs/dbraw/zinc/59/35/75/1075593575.db2.gz JKGIMWBHIKBYQY-MRXNPFEDSA-N 1 2 406.914 1.809 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676549687 1075597614 /nfs/dbraw/zinc/59/76/14/1075597614.db2.gz IMDOIMFVUJSJJY-GOSISDBHSA-N 1 2 418.501 1.998 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676549687 1075597616 /nfs/dbraw/zinc/59/76/16/1075597616.db2.gz IMDOIMFVUJSJJY-GOSISDBHSA-N 1 2 418.501 1.998 20 0 HDADLO Cc1csc([C@@H](C)CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000543680464 1075614106 /nfs/dbraw/zinc/61/41/06/1075614106.db2.gz SNKJDDSIQFZMMQ-HNNXBMFYSA-N 1 2 416.551 1.988 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC3(OC)CCOCC3)CC2)c1 ZINC000676611949 1075615322 /nfs/dbraw/zinc/61/53/22/1075615322.db2.gz JROOIVWJRKAFGQ-UHFFFAOYSA-N 1 2 407.511 1.597 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 ZINC000732121178 1075629591 /nfs/dbraw/zinc/62/95/91/1075629591.db2.gz FYEYGLYDKISBTC-UHFFFAOYSA-N 1 2 409.508 1.034 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732167436 1075647973 /nfs/dbraw/zinc/64/79/73/1075647973.db2.gz ZUTWRVNWUJWTIF-GIWCCYDRSA-N 1 2 408.502 1.514 20 0 HDADLO C[C@@H]1COCCC[N@@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000676714218 1075658156 /nfs/dbraw/zinc/65/81/56/1075658156.db2.gz USFBDOYIRWPOBX-QGZVFWFLSA-N 1 2 421.563 1.861 20 0 HDADLO C[C@@H]1COCCC[N@H+]1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000676714218 1075658162 /nfs/dbraw/zinc/65/81/62/1075658162.db2.gz USFBDOYIRWPOBX-QGZVFWFLSA-N 1 2 421.563 1.861 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000732208279 1075666310 /nfs/dbraw/zinc/66/63/10/1075666310.db2.gz XFPXHSRGDJDOHZ-GFCCVEGCSA-N 1 2 404.467 1.696 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000732208279 1075666312 /nfs/dbraw/zinc/66/63/12/1075666312.db2.gz XFPXHSRGDJDOHZ-GFCCVEGCSA-N 1 2 404.467 1.696 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000676738990 1075671528 /nfs/dbraw/zinc/67/15/28/1075671528.db2.gz KFEFJOHTSIRSMN-BBRMVZONSA-N 1 2 403.932 1.189 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000676738990 1075671531 /nfs/dbraw/zinc/67/15/31/1075671531.db2.gz KFEFJOHTSIRSMN-BBRMVZONSA-N 1 2 403.932 1.189 20 0 HDADLO COC(=O)c1cc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000751199223 1075679715 /nfs/dbraw/zinc/67/97/15/1075679715.db2.gz UFVBLPWWJPTJQO-UHFFFAOYSA-N 1 2 406.483 1.541 20 0 HDADLO Cc1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1S(=O)(=O)NC(C)(C)C ZINC000804206167 1075680765 /nfs/dbraw/zinc/68/07/65/1075680765.db2.gz BCDVRUWYXGAKIB-AWEZNQCLSA-N 1 2 405.480 1.462 20 0 HDADLO CCCCNc1cc(N2CCN(c3ccccc3S(=O)(=O)NC)CC2)nc(N)[nH+]1 ZINC000568896792 1075694107 /nfs/dbraw/zinc/69/41/07/1075694107.db2.gz PLMZCQAUQYHAOQ-UHFFFAOYSA-N 1 2 419.555 1.506 20 0 HDADLO CCCCNc1cc(N2CCN(c3ccccc3S(=O)(=O)NC)CC2)[nH+]c(N)n1 ZINC000568896792 1075694109 /nfs/dbraw/zinc/69/41/09/1075694109.db2.gz PLMZCQAUQYHAOQ-UHFFFAOYSA-N 1 2 419.555 1.506 20 0 HDADLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccon1 ZINC000543585071 1075705265 /nfs/dbraw/zinc/70/52/65/1075705265.db2.gz GJLYJMXOJKHKEW-KGLIPLIRSA-N 1 2 408.480 1.373 20 0 HDADLO CC[NH+](CC)[C@H](C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O)c1ccccc1 ZINC000732347487 1075717947 /nfs/dbraw/zinc/71/79/47/1075717947.db2.gz DRMKTJFYWULEBT-IBGZPJMESA-N 1 2 419.503 1.899 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000448463398 1075748615 /nfs/dbraw/zinc/74/86/15/1075748615.db2.gz BIOZITAAKJWVRK-UHFFFAOYSA-N 1 2 408.510 1.805 20 0 HDADLO Cc1nc2c(s1)[C@H](N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)CCC2 ZINC000732464060 1075751817 /nfs/dbraw/zinc/75/18/17/1075751817.db2.gz WFIXTVQUTPJBLP-MRXNPFEDSA-N 1 2 414.597 1.979 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000524666008 1075757253 /nfs/dbraw/zinc/75/72/53/1075757253.db2.gz KZCYAKATWHEHIV-CQSZACIVSA-N 1 2 409.494 1.898 20 0 HDADLO CC(=O)N1CCC([N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc2cncs2)CC1 ZINC000429278160 1075788047 /nfs/dbraw/zinc/78/80/47/1075788047.db2.gz PXWNPUQVSVKELB-UHFFFAOYSA-N 1 2 421.445 1.344 20 0 HDADLO CC(=O)N1CCC([N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc2cncs2)CC1 ZINC000429278160 1075788051 /nfs/dbraw/zinc/78/80/51/1075788051.db2.gz PXWNPUQVSVKELB-UHFFFAOYSA-N 1 2 421.445 1.344 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)c1)[NH+]1CCOCC1 ZINC000439620712 1075790200 /nfs/dbraw/zinc/79/02/00/1075790200.db2.gz KQYVIARIBWCGBQ-CQSZACIVSA-N 1 2 400.483 2.004 20 0 HDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000497868649 1075791856 /nfs/dbraw/zinc/79/18/56/1075791856.db2.gz DONIDWDOERWXMY-CQSZACIVSA-N 1 2 423.477 1.683 20 0 HDADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817287 1075794597 /nfs/dbraw/zinc/79/45/97/1075794597.db2.gz CLZKXNVJYDBCNN-WBVHZDCISA-N 1 2 400.870 2.576 20 0 HDADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817287 1075794598 /nfs/dbraw/zinc/79/45/98/1075794598.db2.gz CLZKXNVJYDBCNN-WBVHZDCISA-N 1 2 400.870 2.576 20 0 HDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000017114670 1075806911 /nfs/dbraw/zinc/80/69/11/1075806911.db2.gz ZYZGWISTUWISFR-UHFFFAOYSA-N 1 2 403.508 1.163 20 0 HDADLO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCC[C@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000611033527 1075816400 /nfs/dbraw/zinc/81/64/00/1075816400.db2.gz ZHJCRWKWQQPVMG-YJBOKZPZSA-N 1 2 405.476 1.776 20 0 HDADLO C[C@H]1Sc2ccc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)cc2NC1=O ZINC000596043287 1075817503 /nfs/dbraw/zinc/81/75/03/1075817503.db2.gz OBBNEWLSUWNAAS-CYBMUJFWSA-N 1 2 401.492 1.900 20 0 HDADLO CNC(=O)Cn1nc(NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1C ZINC000504578026 1075820350 /nfs/dbraw/zinc/82/03/50/1075820350.db2.gz COXUKKIXPFHVCJ-INIZCTEOSA-N 1 2 414.510 1.857 20 0 HDADLO CCOC(=O)CC[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000611062009 1075822288 /nfs/dbraw/zinc/82/22/88/1075822288.db2.gz SBDOUAWGATXUNY-FXAWDEMLSA-N 1 2 413.584 1.959 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@@H](O)C(C)(C)C)CC2)cc1OC ZINC000732718972 1075832583 /nfs/dbraw/zinc/83/25/83/1075832583.db2.gz VAAXIOCYGJULHV-HXUWFJFHSA-N 1 2 422.522 1.607 20 0 HDADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]32)n1 ZINC001085039908 1075834069 /nfs/dbraw/zinc/83/40/69/1075834069.db2.gz XSCCJSXELQAZST-MTSZKFMLSA-N 1 2 404.536 1.880 20 0 HDADLO Cc1csc(NC(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]32)n1 ZINC001085039908 1075834071 /nfs/dbraw/zinc/83/40/71/1075834071.db2.gz XSCCJSXELQAZST-MTSZKFMLSA-N 1 2 404.536 1.880 20 0 HDADLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]32)n(C)n1 ZINC001085040214 1075834783 /nfs/dbraw/zinc/83/47/83/1075834783.db2.gz VTDSEZMBOIFYKP-DZVNLGKHSA-N 1 2 401.511 1.157 20 0 HDADLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]32)n(C)n1 ZINC001085040214 1075834792 /nfs/dbraw/zinc/83/47/92/1075834792.db2.gz VTDSEZMBOIFYKP-DZVNLGKHSA-N 1 2 401.511 1.157 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CCO1 ZINC000732702602 1075836473 /nfs/dbraw/zinc/83/64/73/1075836473.db2.gz YHUOBGYNUKAPQL-APWZRJJASA-N 1 2 410.946 1.421 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CCO1 ZINC000732702602 1075836477 /nfs/dbraw/zinc/83/64/77/1075836477.db2.gz YHUOBGYNUKAPQL-APWZRJJASA-N 1 2 410.946 1.421 20 0 HDADLO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000611098750 1075842573 /nfs/dbraw/zinc/84/25/73/1075842573.db2.gz KCDVQWDLZJJUIF-UHFFFAOYSA-N 1 2 422.445 1.529 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCSC(F)(F)F)c2)CC1 ZINC000143578377 1075861187 /nfs/dbraw/zinc/86/11/87/1075861187.db2.gz CGQKGVDDYWBDKD-UHFFFAOYSA-N 1 2 404.458 1.742 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CC1(Cl)Cl ZINC000732915535 1075911850 /nfs/dbraw/zinc/91/18/50/1075911850.db2.gz LHBJEBKJPMTAGO-QWHCGFSZSA-N 1 2 400.310 1.592 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CC1(Cl)Cl ZINC000732915535 1075911853 /nfs/dbraw/zinc/91/18/53/1075911853.db2.gz LHBJEBKJPMTAGO-QWHCGFSZSA-N 1 2 400.310 1.592 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CSCCS1 ZINC000732916468 1075912790 /nfs/dbraw/zinc/91/27/90/1075912790.db2.gz RVZDBRXCCZOACJ-GJZGRUSLSA-N 1 2 409.581 1.247 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CSCCS1 ZINC000732916468 1075912793 /nfs/dbraw/zinc/91/27/93/1075912793.db2.gz RVZDBRXCCZOACJ-GJZGRUSLSA-N 1 2 409.581 1.247 20 0 HDADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732967488 1075927919 /nfs/dbraw/zinc/92/79/19/1075927919.db2.gz CGCFZMUBMFVIMJ-LPHOPBHVSA-N 1 2 407.461 1.809 20 0 HDADLO O=C(Nc1nc(-c2ccc(F)cc2)ns1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000732972587 1075929725 /nfs/dbraw/zinc/92/97/25/1075929725.db2.gz UWIPRJFCLZRKNS-AWEZNQCLSA-N 1 2 419.482 1.463 20 0 HDADLO COC(=O)c1csc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1C ZINC000611459846 1075941415 /nfs/dbraw/zinc/94/14/15/1075941415.db2.gz MRINLVVTMVGIPM-LSDHHAIUSA-N 1 2 409.508 1.541 20 0 HDADLO COC(=O)c1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cc1 ZINC000611480055 1075945149 /nfs/dbraw/zinc/94/51/49/1075945149.db2.gz MFBYDKHBFDRPAV-UHFFFAOYSA-N 1 2 404.492 1.562 20 0 HDADLO CCOC(=O)C1CCC(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)CC1 ZINC000611480046 1075945156 /nfs/dbraw/zinc/94/51/56/1075945156.db2.gz IASHGCWNPDHJHU-UHFFFAOYSA-N 1 2 410.540 1.697 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000611540790 1075954574 /nfs/dbraw/zinc/95/45/74/1075954574.db2.gz YIJPFLXWHULTPB-CABCVRRESA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)C1(c2ccc(S(=O)(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000611540809 1075955556 /nfs/dbraw/zinc/95/55/56/1075955556.db2.gz ZKIQEHIHYMPVRD-ROUUACIJSA-N 1 2 408.520 1.111 20 0 HDADLO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000611540672 1075956915 /nfs/dbraw/zinc/95/69/15/1075956915.db2.gz NCVVXOMPQBBMTP-IRXDYDNUSA-N 1 2 400.472 1.222 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000733041706 1075962822 /nfs/dbraw/zinc/96/28/22/1075962822.db2.gz FSCSVRBLRJAQDB-UHFFFAOYSA-N 1 2 405.471 1.494 20 0 HDADLO NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000105155259 1075969461 /nfs/dbraw/zinc/96/94/61/1075969461.db2.gz CMZCJPYQUFMIFR-INIZCTEOSA-N 1 2 413.521 1.433 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2C)no1 ZINC000506036581 1075974370 /nfs/dbraw/zinc/97/43/70/1075974370.db2.gz YWXDYMXTDGCOKH-IBGZPJMESA-N 1 2 410.478 1.562 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C)no1 ZINC000506036581 1075974374 /nfs/dbraw/zinc/97/43/74/1075974374.db2.gz YWXDYMXTDGCOKH-IBGZPJMESA-N 1 2 410.478 1.562 20 0 HDADLO CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001080163375 1075983661 /nfs/dbraw/zinc/98/36/61/1075983661.db2.gz CRCUQEIVLXRQCU-QUIZCCTMSA-N 1 2 413.518 1.884 20 0 HDADLO CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001080163375 1075983663 /nfs/dbraw/zinc/98/36/63/1075983663.db2.gz CRCUQEIVLXRQCU-QUIZCCTMSA-N 1 2 413.518 1.884 20 0 HDADLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3)n2C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080159584 1075983675 /nfs/dbraw/zinc/98/36/75/1075983675.db2.gz LFLUXASRXRTAOZ-MQHZGVQNSA-N 1 2 407.518 1.842 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3)n2C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080159584 1075983677 /nfs/dbraw/zinc/98/36/77/1075983677.db2.gz LFLUXASRXRTAOZ-MQHZGVQNSA-N 1 2 407.518 1.842 20 0 HDADLO C[C@@H]1C[N@H+](Cc2csc(-c3cnn(C)c3)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080163758 1075984421 /nfs/dbraw/zinc/98/44/21/1075984421.db2.gz ZJOFCDHBWKGTMW-DRVNGOMUSA-N 1 2 413.547 1.904 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2csc(-c3cnn(C)c3)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080163758 1075984422 /nfs/dbraw/zinc/98/44/22/1075984422.db2.gz ZJOFCDHBWKGTMW-DRVNGOMUSA-N 1 2 413.547 1.904 20 0 HDADLO C[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180505 1075985112 /nfs/dbraw/zinc/98/51/12/1075985112.db2.gz NHTVKCSFYXSRJN-SUKQMUEJSA-N 1 2 402.451 1.318 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180505 1075985115 /nfs/dbraw/zinc/98/51/15/1075985115.db2.gz NHTVKCSFYXSRJN-SUKQMUEJSA-N 1 2 402.451 1.318 20 0 HDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000492443042 1075985972 /nfs/dbraw/zinc/98/59/72/1075985972.db2.gz IFZITKQCBKLACZ-UHFFFAOYSA-N 1 2 402.929 1.980 20 0 HDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000492443042 1075985977 /nfs/dbraw/zinc/98/59/77/1075985977.db2.gz IFZITKQCBKLACZ-UHFFFAOYSA-N 1 2 402.929 1.980 20 0 HDADLO CC(C)[C@H](CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[NH+]1CCN(C)CC1 ZINC000733156904 1075989226 /nfs/dbraw/zinc/98/92/26/1075989226.db2.gz JTBZKNRCKFMHFZ-SFHVURJKSA-N 1 2 417.579 1.464 20 0 HDADLO COc1cc(Br)c(CN(CCO)CC[NH+]2CCOCC2)c(OC)c1 ZINC000510224816 1075989823 /nfs/dbraw/zinc/98/98/23/1075989823.db2.gz VMSWBNPCDDEOGZ-UHFFFAOYSA-N 1 2 403.317 1.593 20 0 HDADLO Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2[nH]c1=S ZINC000733157579 1075990046 /nfs/dbraw/zinc/99/00/46/1075990046.db2.gz AGDCQMBKRVIJRQ-HNNXBMFYSA-N 1 2 402.520 1.595 20 0 HDADLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3nnn(Cc4cc(C)on4)c3C)CC2)cn1 ZINC000510317446 1075990269 /nfs/dbraw/zinc/99/02/69/1075990269.db2.gz AVDTWFRFVCOGQA-UHFFFAOYSA-N 1 2 412.498 1.496 20 0 HDADLO CCn1cc(C[N@H+]2CCCN(C(=O)c3nnn(Cc4cc(C)on4)c3C)CC2)cn1 ZINC000510317446 1075990274 /nfs/dbraw/zinc/99/02/74/1075990274.db2.gz AVDTWFRFVCOGQA-UHFFFAOYSA-N 1 2 412.498 1.496 20 0 HDADLO CC(C)N(CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000733194856 1076001252 /nfs/dbraw/zinc/00/12/52/1076001252.db2.gz RNXJTHDEBVFHTE-UHFFFAOYSA-N 1 2 418.582 1.965 20 0 HDADLO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001081103385 1076002294 /nfs/dbraw/zinc/00/22/94/1076002294.db2.gz SJTMVHQCWAMYPX-IYWGDAJJSA-N 1 2 400.523 1.853 20 0 HDADLO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001081103385 1076002299 /nfs/dbraw/zinc/00/22/99/1076002299.db2.gz SJTMVHQCWAMYPX-IYWGDAJJSA-N 1 2 400.523 1.853 20 0 HDADLO C[C@@]1(c2cccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2)NC(=O)NC1=O ZINC000495077946 1076004952 /nfs/dbraw/zinc/00/49/52/1076004952.db2.gz GXPQRSCTLJXNDV-QFIPXVFZSA-N 1 2 408.458 1.826 20 0 HDADLO O=C([C@H]1CC[C@H](C(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000513595379 1076005622 /nfs/dbraw/zinc/00/56/22/1076005622.db2.gz NJPBUNSBHVSKGQ-GJZGRUSLSA-N 1 2 413.444 1.940 20 0 HDADLO O=C([C@H]1CC[C@H](C(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000513595379 1076005628 /nfs/dbraw/zinc/00/56/28/1076005628.db2.gz NJPBUNSBHVSKGQ-GJZGRUSLSA-N 1 2 413.444 1.940 20 0 HDADLO O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000513595378 1076005832 /nfs/dbraw/zinc/00/58/32/1076005832.db2.gz NJPBUNSBHVSKGQ-CABCVRRESA-N 1 2 413.444 1.940 20 0 HDADLO O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000513595378 1076005839 /nfs/dbraw/zinc/00/58/39/1076005839.db2.gz NJPBUNSBHVSKGQ-CABCVRRESA-N 1 2 413.444 1.940 20 0 HDADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000733327277 1076044894 /nfs/dbraw/zinc/04/48/94/1076044894.db2.gz CNCDNRKODXRTIJ-GFCCVEGCSA-N 1 2 411.977 1.507 20 0 HDADLO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001082652215 1076061711 /nfs/dbraw/zinc/06/17/11/1076061711.db2.gz LQEVIATUVRSCOL-JZDLIWOHSA-N 1 2 400.401 1.534 20 0 HDADLO C[N@H+](CC(=O)N1CCNC(=O)C1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000021307987 1076062761 /nfs/dbraw/zinc/06/27/61/1076062761.db2.gz XHQJYZPZNQYUMC-UHFFFAOYSA-N 1 2 403.486 1.930 20 0 HDADLO C[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000021307987 1076062770 /nfs/dbraw/zinc/06/27/70/1076062770.db2.gz XHQJYZPZNQYUMC-UHFFFAOYSA-N 1 2 403.486 1.930 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)N(C)C)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000727237570 1076087551 /nfs/dbraw/zinc/08/75/51/1076087551.db2.gz LYUDOYWVGYPZHI-QGZVFWFLSA-N 1 2 404.467 1.251 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCCO[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000727437138 1076119433 /nfs/dbraw/zinc/11/94/33/1076119433.db2.gz FCGREHCSTLQVCW-AUUYWEPGSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCCO[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000727437138 1076119442 /nfs/dbraw/zinc/11/94/42/1076119442.db2.gz FCGREHCSTLQVCW-AUUYWEPGSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCCO[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000727437138 1076119448 /nfs/dbraw/zinc/11/94/48/1076119448.db2.gz FCGREHCSTLQVCW-AUUYWEPGSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCCO[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000727437138 1076119451 /nfs/dbraw/zinc/11/94/51/1076119451.db2.gz FCGREHCSTLQVCW-AUUYWEPGSA-N 1 2 403.479 1.977 20 0 HDADLO O=C(CNC(=O)c1ccc(O)cc1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000727540640 1076160045 /nfs/dbraw/zinc/16/00/45/1076160045.db2.gz MHFLQRFYXGXQOB-UHFFFAOYSA-N 1 2 417.487 1.071 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)CCO1 ZINC000727603220 1076177206 /nfs/dbraw/zinc/17/72/06/1076177206.db2.gz HJQSLXGIZNGIGV-LSDHHAIUSA-N 1 2 419.444 1.807 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C[C@@H](O)COc2ccccc2C(F)(F)F)CCO1 ZINC000727603220 1076177211 /nfs/dbraw/zinc/17/72/11/1076177211.db2.gz HJQSLXGIZNGIGV-LSDHHAIUSA-N 1 2 419.444 1.807 20 0 HDADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CC(Oc2cc[nH+]cc2)C1 ZINC000727751437 1076224970 /nfs/dbraw/zinc/22/49/70/1076224970.db2.gz PPNBAFCCMQWHBH-UHFFFAOYSA-N 1 2 421.450 1.145 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000533867733 1076246153 /nfs/dbraw/zinc/24/61/53/1076246153.db2.gz GCUGDVOGVOOKBM-HXUWFJFHSA-N 1 2 422.485 1.400 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000533867733 1076246156 /nfs/dbraw/zinc/24/61/56/1076246156.db2.gz GCUGDVOGVOOKBM-HXUWFJFHSA-N 1 2 422.485 1.400 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000534541010 1076248289 /nfs/dbraw/zinc/24/82/89/1076248289.db2.gz KQFLYMDFHZUCDT-KRWDZBQOSA-N 1 2 421.906 1.985 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000534541010 1076248294 /nfs/dbraw/zinc/24/82/94/1076248294.db2.gz KQFLYMDFHZUCDT-KRWDZBQOSA-N 1 2 421.906 1.985 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000535276784 1076251380 /nfs/dbraw/zinc/25/13/80/1076251380.db2.gz KZEMJIMKRKPUNJ-IBGZPJMESA-N 1 2 420.469 1.577 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000535276784 1076251383 /nfs/dbraw/zinc/25/13/83/1076251383.db2.gz KZEMJIMKRKPUNJ-IBGZPJMESA-N 1 2 420.469 1.577 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000535278351 1076251732 /nfs/dbraw/zinc/25/17/32/1076251732.db2.gz WMEHNXHNLQTQFF-SFHVURJKSA-N 1 2 401.488 1.473 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000535278351 1076251735 /nfs/dbraw/zinc/25/17/35/1076251735.db2.gz WMEHNXHNLQTQFF-SFHVURJKSA-N 1 2 401.488 1.473 20 0 HDADLO COCCOc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1OC ZINC000535315939 1076252480 /nfs/dbraw/zinc/25/24/80/1076252480.db2.gz XDWGLGHUANMJSL-SFHVURJKSA-N 1 2 413.474 1.962 20 0 HDADLO COCCOc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1OC ZINC000535315939 1076252483 /nfs/dbraw/zinc/25/24/83/1076252483.db2.gz XDWGLGHUANMJSL-SFHVURJKSA-N 1 2 413.474 1.962 20 0 HDADLO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1-n1nnnc1C ZINC000536032059 1076254297 /nfs/dbraw/zinc/25/42/97/1076254297.db2.gz HUAVTCRAVATSOW-QGZVFWFLSA-N 1 2 421.461 1.221 20 0 HDADLO COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1-n1nnnc1C ZINC000536032059 1076254302 /nfs/dbraw/zinc/25/43/02/1076254302.db2.gz HUAVTCRAVATSOW-QGZVFWFLSA-N 1 2 421.461 1.221 20 0 HDADLO CCCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065708347 1076257134 /nfs/dbraw/zinc/25/71/34/1076257134.db2.gz AAQVQLMKQIETSX-ROMHJBHXSA-N 1 2 403.567 1.981 20 0 HDADLO CC(C)CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065708437 1076257270 /nfs/dbraw/zinc/25/72/70/1076257270.db2.gz BSINWTVSZLIWGB-YENHRIDLSA-N 1 2 403.567 1.981 20 0 HDADLO CCCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065708346 1076257286 /nfs/dbraw/zinc/25/72/86/1076257286.db2.gz AAQVQLMKQIETSX-NADOGSGZSA-N 1 2 403.567 1.981 20 0 HDADLO O=C(CCCC1CC1)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065712387 1076257502 /nfs/dbraw/zinc/25/75/02/1076257502.db2.gz XCGQFEHEARUVHO-NHHWGVFUSA-N 1 2 401.551 1.735 20 0 HDADLO Cc1ccc(NC(=O)C2CC[NH+](CN3C(=O)NC4(CCOCC4)C3=O)CC2)nc1 ZINC000727818256 1076266857 /nfs/dbraw/zinc/26/68/57/1076266857.db2.gz GOZJTXVRMKZSMH-UHFFFAOYSA-N 1 2 401.467 1.099 20 0 HDADLO O=C(NC1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1)c1ccc(F)cc1 ZINC000727821628 1076267443 /nfs/dbraw/zinc/26/74/43/1076267443.db2.gz YXAPDXOZSXCNPL-UHFFFAOYSA-N 1 2 404.442 1.078 20 0 HDADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000024631792 1076345840 /nfs/dbraw/zinc/34/58/40/1076345840.db2.gz LIUJLMMYHAWLHS-SFHVURJKSA-N 1 2 422.485 1.097 20 0 HDADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000024631792 1076345846 /nfs/dbraw/zinc/34/58/46/1076345846.db2.gz LIUJLMMYHAWLHS-SFHVURJKSA-N 1 2 422.485 1.097 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@@H]1C1OCCO1)NCc1ccccc1CN1CCCC1=O ZINC000728172639 1076364403 /nfs/dbraw/zinc/36/44/03/1076364403.db2.gz HGGIHBPBCNQEQR-LJQANCHMSA-N 1 2 401.507 1.653 20 0 HDADLO O=C(C[N@H+]1CCCC[C@@H]1C1OCCO1)NCc1ccccc1CN1CCCC1=O ZINC000728172639 1076364409 /nfs/dbraw/zinc/36/44/09/1076364409.db2.gz HGGIHBPBCNQEQR-LJQANCHMSA-N 1 2 401.507 1.653 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[NH+]([C@@H]2CCN(c3ncc(Cl)cn3)C2)CC1 ZINC001065206432 1076367693 /nfs/dbraw/zinc/36/76/93/1076367693.db2.gz LJQAPDDEJNUVKN-ZXXIGWHRSA-N 1 2 403.914 1.276 20 0 HDADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000030517902 1076367822 /nfs/dbraw/zinc/36/78/22/1076367822.db2.gz IODYOAMQRQGBBX-INIZCTEOSA-N 1 2 419.469 1.774 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001084531537 1076368721 /nfs/dbraw/zinc/36/87/21/1076368721.db2.gz PRAOXUQYEBLSQM-WWDRVWNISA-N 1 2 408.424 1.952 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21 ZINC001084531537 1076368731 /nfs/dbraw/zinc/36/87/31/1076368731.db2.gz PRAOXUQYEBLSQM-WWDRVWNISA-N 1 2 408.424 1.952 20 0 HDADLO Cc1ccc(N2C(=O)C(=O)N(CN3CC[NH+](Cc4cnn(C)c4)CC3)C2=O)c(C)c1 ZINC000729988191 1076408885 /nfs/dbraw/zinc/40/88/85/1076408885.db2.gz DDCISZIFQQJKGA-UHFFFAOYSA-N 1 2 410.478 1.107 20 0 HDADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@H]2CC[N@H+](Cc3cc(=O)n4ccsc4n3)C[C@H]21 ZINC001084675488 1076429806 /nfs/dbraw/zinc/42/98/06/1076429806.db2.gz JUKZZJLTDUXPTB-NHMWIVBRSA-N 1 2 400.504 1.356 20 0 HDADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@H]2CC[N@@H+](Cc3cc(=O)n4ccsc4n3)C[C@H]21 ZINC001084675488 1076429807 /nfs/dbraw/zinc/42/98/07/1076429807.db2.gz JUKZZJLTDUXPTB-NHMWIVBRSA-N 1 2 400.504 1.356 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730213454 1076478783 /nfs/dbraw/zinc/47/87/83/1076478783.db2.gz LMFBSTDJOCLXGB-YWZLYKJASA-N 1 2 407.511 1.503 20 0 HDADLO Cc1cccc(N2CC[NH+](CCCCNC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CC2)c1 ZINC000730525065 1076588809 /nfs/dbraw/zinc/58/88/09/1076588809.db2.gz FPHSUCFUIXXSSI-UHFFFAOYSA-N 1 2 423.521 1.098 20 0 HDADLO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)c1ccccc1O2 ZINC000730526516 1076589490 /nfs/dbraw/zinc/58/94/90/1076589490.db2.gz JHZSYBVGUMQWAH-MRXNPFEDSA-N 1 2 408.462 1.176 20 0 HDADLO CCS(=O)(=O)CCNC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000730580739 1076601563 /nfs/dbraw/zinc/60/15/63/1076601563.db2.gz BNQOXEMRYKDLOC-UHFFFAOYSA-N 1 2 416.975 1.586 20 0 HDADLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000730817572 1076669544 /nfs/dbraw/zinc/66/95/44/1076669544.db2.gz VJDILQYSAGMSMD-HIFRSBDPSA-N 1 2 403.483 1.734 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000730857215 1076673925 /nfs/dbraw/zinc/67/39/25/1076673925.db2.gz QIYJPKBIGFBGMF-UHFFFAOYSA-N 1 2 419.445 1.350 20 0 HDADLO NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000730937741 1076696928 /nfs/dbraw/zinc/69/69/28/1076696928.db2.gz GGSDYNBZDJGTOS-UHFFFAOYSA-N 1 2 407.923 1.988 20 0 HDADLO COCCn1cnn(CN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)c1=S ZINC000731207513 1076755462 /nfs/dbraw/zinc/75/54/62/1076755462.db2.gz ONBQDNKCPFLQFU-UHFFFAOYSA-N 1 2 422.530 1.205 20 0 HDADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000685841556 1126106494 /nfs/dbraw/zinc/10/64/94/1126106494.db2.gz UCGWAOCMRCRTMX-HIFRSBDPSA-N 1 2 406.430 1.162 20 0 HDADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164632747 719269991 /nfs/dbraw/zinc/26/99/91/719269991.db2.gz BRFVKMMTZNUCDB-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164632747 719269995 /nfs/dbraw/zinc/26/99/95/719269995.db2.gz BRFVKMMTZNUCDB-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)cc(C(=O)OC)n3)CC2)C1=O ZINC001164634699 719270322 /nfs/dbraw/zinc/27/03/22/719270322.db2.gz LWPIEWHBBPXHGE-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)cc(C(=O)OC)n3)CC2)C1=O ZINC001164634699 719270326 /nfs/dbraw/zinc/27/03/26/719270326.db2.gz LWPIEWHBBPXHGE-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)nc(-c4ccncc4)n3)CC2)C1=O ZINC001164642212 719279885 /nfs/dbraw/zinc/27/98/85/719279885.db2.gz YRUGYTPBMPXMEM-UHFFFAOYSA-N 1 2 410.522 1.606 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)nc(-c4ccncc4)n3)CC2)C1=O ZINC001164642212 719279887 /nfs/dbraw/zinc/27/98/87/719279887.db2.gz YRUGYTPBMPXMEM-UHFFFAOYSA-N 1 2 410.522 1.606 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccncc4)nc(C)c3C)CC2)C1=O ZINC001164644117 719282738 /nfs/dbraw/zinc/28/27/38/719282738.db2.gz DOJWHQOVYZNHMR-UHFFFAOYSA-N 1 2 424.549 1.915 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccncc4)nc(C)c3C)CC2)C1=O ZINC001164644117 719282740 /nfs/dbraw/zinc/28/27/40/719282740.db2.gz DOJWHQOVYZNHMR-UHFFFAOYSA-N 1 2 424.549 1.915 20 0 HDADLO NS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673095 719496966 /nfs/dbraw/zinc/49/69/66/719496966.db2.gz NNCYAKPJFLRQHY-UHFFFAOYSA-N 1 2 420.510 1.740 20 0 HDADLO NS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673095 719496973 /nfs/dbraw/zinc/49/69/73/719496973.db2.gz NNCYAKPJFLRQHY-UHFFFAOYSA-N 1 2 420.510 1.740 20 0 HDADLO COC(=O)c1c(Cl)ccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706062 719841850 /nfs/dbraw/zinc/84/18/50/719841850.db2.gz WEHMKNPKXQTPRA-ORAYPTAESA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cc1OC ZINC001164697311 719843141 /nfs/dbraw/zinc/84/31/41/719843141.db2.gz CMFBOJNDLDMQNP-VLIAUNLRSA-N 1 2 407.467 1.110 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705834 719844514 /nfs/dbraw/zinc/84/45/14/719844514.db2.gz WBMMAUYBWQBYCO-QRWLVFNGSA-N 1 2 409.458 1.630 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C ZINC001164704750 719852325 /nfs/dbraw/zinc/85/23/25/719852325.db2.gz SOWMLVQGIBEYFR-YWZLYKJASA-N 1 2 406.483 1.194 20 0 HDADLO COCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc(SC)n1 ZINC001164700509 719853060 /nfs/dbraw/zinc/85/30/60/719853060.db2.gz HQRBHIHUBJIVTH-BEFAXECRSA-N 1 2 410.540 1.578 20 0 HDADLO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncc1C ZINC001164697762 719857458 /nfs/dbraw/zinc/85/74/58/719857458.db2.gz AGIMZERZJANTIM-KKSFZXQISA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(CO)c1C(OC)OC ZINC001164706497 719863526 /nfs/dbraw/zinc/86/35/26/719863526.db2.gz XWQSTPSPGNXQNC-KKSFZXQISA-N 1 2 423.510 1.098 20 0 HDADLO COC(=O)CSc1cccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164700578 719864473 /nfs/dbraw/zinc/86/44/73/719864473.db2.gz DYODVMWMLSHIQK-FOIQADDNSA-N 1 2 423.535 1.579 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CCCCC2)n1 ZINC001164707414 719867017 /nfs/dbraw/zinc/86/70/17/719867017.db2.gz SEIXBCQRCJQYGC-UWJYYQICSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCCC2)ncn1 ZINC001164702857 719867257 /nfs/dbraw/zinc/86/72/57/719867257.db2.gz JBUPSBQTCQONHL-UWJYYQICSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCSCC2)ncn1 ZINC001164708048 719874591 /nfs/dbraw/zinc/87/45/91/719874591.db2.gz XJCMLBJWLQGRDM-UZLBHIALSA-N 1 2 421.567 1.263 20 0 HDADLO COc1cc(Cl)ncc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708733 719902858 /nfs/dbraw/zinc/90/28/58/719902858.db2.gz JKNGFNSUIUSSGJ-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO CC(C)COc1cncc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708769 719926787 /nfs/dbraw/zinc/92/67/87/719926787.db2.gz PNMCVEOLUHTWEV-UHFFFAOYSA-N 1 2 413.526 1.195 20 0 HDADLO Cc1cc2ccncc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708633 719931979 /nfs/dbraw/zinc/93/19/79/719931979.db2.gz NVRPBJUDJXEFTN-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO COc1ccnc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708312 719933497 /nfs/dbraw/zinc/93/34/97/719933497.db2.gz IPNPJYDIIYDGPR-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO COc1ccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164705284 720047850 /nfs/dbraw/zinc/04/78/50/720047850.db2.gz XOJAFJNNMFSVMY-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Cl)c3C(=O)OC)C2)C1 ZINC001164718861 720218925 /nfs/dbraw/zinc/21/89/25/720218925.db2.gz NLRSHFNBHMWNLN-LJQANCHMSA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Cl)c3C(=O)OC)C2)C1 ZINC001164718861 720218931 /nfs/dbraw/zinc/21/89/31/720218931.db2.gz NLRSHFNBHMWNLN-LJQANCHMSA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cn3)C2)C1 ZINC001164716793 720219418 /nfs/dbraw/zinc/21/94/18/720219418.db2.gz FAAOKBNVJYSCPL-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cn3)C2)C1 ZINC001164716793 720219426 /nfs/dbraw/zinc/21/94/26/720219426.db2.gz FAAOKBNVJYSCPL-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164718691 720243353 /nfs/dbraw/zinc/24/33/53/720243353.db2.gz HBKMYOPCSPIRBF-QFIPXVFZSA-N 1 2 413.497 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164718691 720243359 /nfs/dbraw/zinc/24/33/59/720243359.db2.gz HBKMYOPCSPIRBF-QFIPXVFZSA-N 1 2 413.497 1.948 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3sccc31)C2 ZINC001164822166 720428513 /nfs/dbraw/zinc/42/85/13/720428513.db2.gz CAEFLOHNFGRSAC-HNNXBMFYSA-N 1 2 414.535 1.877 20 0 HDADLO CSc1nc(C)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822479 720428973 /nfs/dbraw/zinc/42/89/73/720428973.db2.gz CEQVPMDKIRUYID-MRXNPFEDSA-N 1 2 418.567 1.693 20 0 HDADLO Cc1nnc(Cl)cc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164821959 720438942 /nfs/dbraw/zinc/43/89/42/720438942.db2.gz BGXLHNGLBMFLPM-OAHLLOKOSA-N 1 2 406.918 1.625 20 0 HDADLO COCc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(C)n1 ZINC001164824129 720446497 /nfs/dbraw/zinc/44/64/97/720446497.db2.gz MKZCIOMNUWTGFU-QGZVFWFLSA-N 1 2 416.526 1.118 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cl)c[n+]1[O-])C2 ZINC001164831138 720467824 /nfs/dbraw/zinc/46/78/24/720467824.db2.gz MVCGHGHEGSDSIU-HNNXBMFYSA-N 1 2 407.902 1.160 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1N)C2 ZINC001164833069 720468036 /nfs/dbraw/zinc/46/80/36/720468036.db2.gz XZLWZAOBJPSREF-AWEZNQCLSA-N 1 2 406.918 1.503 20 0 HDADLO CCOc1nccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831503 720476896 /nfs/dbraw/zinc/47/68/96/720476896.db2.gz GYAJIKSIQOFKKX-INIZCTEOSA-N 1 2 402.499 1.061 20 0 HDADLO COc1ccnc(Cl)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833199 720478590 /nfs/dbraw/zinc/47/85/90/720478590.db2.gz NICSLINJSSJARU-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4S(C)(=O)=O)C[C@@H]3C2)cn1 ZINC001164766920 721187498 /nfs/dbraw/zinc/18/74/98/721187498.db2.gz JPHRODQYAISSTM-CABCVRRESA-N 1 2 409.943 1.830 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4S(C)(=O)=O)C[C@@H]3C2)cn1 ZINC001164766920 721187506 /nfs/dbraw/zinc/18/75/06/721187506.db2.gz JPHRODQYAISSTM-CABCVRRESA-N 1 2 409.943 1.830 20 0 HDADLO Clc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913341 721775903 /nfs/dbraw/zinc/77/59/03/721775903.db2.gz XBKSRSUUZWUBEE-QGZVFWFLSA-N 1 2 411.293 1.681 20 0 HDADLO Clc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913341 721775904 /nfs/dbraw/zinc/77/59/04/721775904.db2.gz XBKSRSUUZWUBEE-QGZVFWFLSA-N 1 2 411.293 1.681 20 0 HDADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)COC2 ZINC001164912476 721776082 /nfs/dbraw/zinc/77/60/82/721776082.db2.gz MGFPBFMJJFRLLE-HXUWFJFHSA-N 1 2 417.897 1.663 20 0 HDADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)COC2 ZINC001164912476 721776091 /nfs/dbraw/zinc/77/60/91/721776091.db2.gz MGFPBFMJJFRLLE-HXUWFJFHSA-N 1 2 417.897 1.663 20 0 HDADLO CC1(C)OC(=O)c2c1ccnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912385 721778590 /nfs/dbraw/zinc/77/85/90/721778590.db2.gz LGGWXTVQKWNUIN-HSZRJFAPSA-N 1 2 424.501 1.990 20 0 HDADLO CC1(C)OC(=O)c2c1ccnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912385 721778597 /nfs/dbraw/zinc/77/85/97/721778597.db2.gz LGGWXTVQKWNUIN-HSZRJFAPSA-N 1 2 424.501 1.990 20 0 HDADLO COc1ncc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913948 721798883 /nfs/dbraw/zinc/79/88/83/721798883.db2.gz JDRCUASPQZRDTB-IBGZPJMESA-N 1 2 405.886 1.641 20 0 HDADLO COc1ncc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913948 721798886 /nfs/dbraw/zinc/79/88/86/721798886.db2.gz JDRCUASPQZRDTB-IBGZPJMESA-N 1 2 405.886 1.641 20 0 HDADLO F[C@H](Oc1cncc(Cl)n1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914299 721799097 /nfs/dbraw/zinc/79/90/97/721799097.db2.gz LJMXCALZIJNPLK-RBUKOAKNSA-N 1 2 423.876 1.760 20 0 HDADLO F[C@H](Oc1cncc(Cl)n1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914299 721799100 /nfs/dbraw/zinc/79/91/00/721799100.db2.gz LJMXCALZIJNPLK-RBUKOAKNSA-N 1 2 423.876 1.760 20 0 HDADLO Cn1ccc(CN2CCOCC23CCN(c2ccc(Cn4cncn4)c[nH+]2)CC3)n1 ZINC001164936425 721908092 /nfs/dbraw/zinc/90/80/92/721908092.db2.gz PFCDTMAXOGICCV-UHFFFAOYSA-N 1 2 408.510 1.326 20 0 HDADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]21 ZINC001164947626 721960537 /nfs/dbraw/zinc/96/05/37/721960537.db2.gz QGHBVJFCTJEUID-ROUUACIJSA-N 1 2 416.551 1.724 20 0 HDADLO CCOC(=O)c1nccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944967 721973655 /nfs/dbraw/zinc/97/36/55/721973655.db2.gz LEFUGBDXCVJVAT-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1nccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944967 721973656 /nfs/dbraw/zinc/97/36/56/721973656.db2.gz LEFUGBDXCVJVAT-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164948240 721976312 /nfs/dbraw/zinc/97/63/12/721976312.db2.gz VTRSDEJNXJZKLS-UHFFFAOYSA-N 1 2 423.517 1.553 20 0 HDADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164948240 721976315 /nfs/dbraw/zinc/97/63/15/721976315.db2.gz VTRSDEJNXJZKLS-UHFFFAOYSA-N 1 2 423.517 1.553 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974068 722108566 /nfs/dbraw/zinc/10/85/66/722108566.db2.gz IJUHATLHRQVVAU-ZWKOTPCHSA-N 1 2 402.520 1.607 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974068 722108568 /nfs/dbraw/zinc/10/85/68/722108568.db2.gz IJUHATLHRQVVAU-ZWKOTPCHSA-N 1 2 402.520 1.607 20 0 HDADLO CC(=O)N1CCc2cc(S(=O)(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000014098806 1073483420 /nfs/dbraw/zinc/48/34/20/1073483420.db2.gz BFVUFTVSXVGBPP-GASCZTMLSA-N 1 2 409.552 1.762 20 0 HDADLO CC(=O)N1CCc2cc(S(=O)(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000014098806 1073483421 /nfs/dbraw/zinc/48/34/21/1073483421.db2.gz BFVUFTVSXVGBPP-GASCZTMLSA-N 1 2 409.552 1.762 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000671399324 1073504957 /nfs/dbraw/zinc/50/49/57/1073504957.db2.gz XTPKEUDHZMRQQQ-SFHVURJKSA-N 1 2 403.548 1.679 20 0 HDADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1nc(Br)ccc1Br ZINC001299281991 1073515716 /nfs/dbraw/zinc/51/57/16/1073515716.db2.gz WDLIAZFCVAZMNX-SECBINFHSA-N 1 2 407.106 1.745 20 0 HDADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1nc(Br)ccc1Br ZINC001299281991 1073515728 /nfs/dbraw/zinc/51/57/28/1073515728.db2.gz WDLIAZFCVAZMNX-SECBINFHSA-N 1 2 407.106 1.745 20 0 HDADLO O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000509095871 1073516242 /nfs/dbraw/zinc/51/62/42/1073516242.db2.gz VBALDNHMJDEQRQ-CRAIPNDOSA-N 1 2 400.441 1.872 20 0 HDADLO O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000509095871 1073516254 /nfs/dbraw/zinc/51/62/54/1073516254.db2.gz VBALDNHMJDEQRQ-CRAIPNDOSA-N 1 2 400.441 1.872 20 0 HDADLO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)cc1S(=O)(=O)N(C)C ZINC000509099832 1073519076 /nfs/dbraw/zinc/51/90/76/1073519076.db2.gz XPLXTBAEJLDIMT-AWEZNQCLSA-N 1 2 406.508 1.972 20 0 HDADLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)cc1S(=O)(=O)N(C)C ZINC000509099832 1073519088 /nfs/dbraw/zinc/51/90/88/1073519088.db2.gz XPLXTBAEJLDIMT-AWEZNQCLSA-N 1 2 406.508 1.972 20 0 HDADLO CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000429088406 1073539966 /nfs/dbraw/zinc/53/99/66/1073539966.db2.gz SLQDESCXXIJXGI-KXBFYZLASA-N 1 2 408.572 1.744 20 0 HDADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000429111867 1073613648 /nfs/dbraw/zinc/61/36/48/1073613648.db2.gz DKAZOTBPYPBVHI-UHFFFAOYSA-N 1 2 417.373 1.352 20 0 HDADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000429111867 1073613658 /nfs/dbraw/zinc/61/36/58/1073613658.db2.gz DKAZOTBPYPBVHI-UHFFFAOYSA-N 1 2 417.373 1.352 20 0 HDADLO O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673672475 1073626783 /nfs/dbraw/zinc/62/67/83/1073626783.db2.gz ICOQYMUFYQWJDW-VXKWHMMOSA-N 1 2 400.567 1.564 20 0 HDADLO O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673672475 1073626788 /nfs/dbraw/zinc/62/67/88/1073626788.db2.gz ICOQYMUFYQWJDW-VXKWHMMOSA-N 1 2 400.567 1.564 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)[nH+]c12 ZINC000673770997 1073703909 /nfs/dbraw/zinc/70/39/09/1073703909.db2.gz XEXVXTPSNZADMH-UHFFFAOYSA-N 1 2 407.540 1.737 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)[nH+]c12 ZINC000673770064 1073714347 /nfs/dbraw/zinc/71/43/47/1073714347.db2.gz HAJXVQQVWJZNQH-UHFFFAOYSA-N 1 2 407.478 1.211 20 0 HDADLO O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782265 1073718897 /nfs/dbraw/zinc/71/88/97/1073718897.db2.gz AWOWCMNPDPQNDI-GOSISDBHSA-N 1 2 400.479 1.075 20 0 HDADLO COCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000673783507 1073721156 /nfs/dbraw/zinc/72/11/56/1073721156.db2.gz VHPWRVWFJKMARU-GOSISDBHSA-N 1 2 405.495 1.282 20 0 HDADLO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673783499 1073721168 /nfs/dbraw/zinc/72/11/68/1073721168.db2.gz VGECGSNZPLMLHP-KRWDZBQOSA-N 1 2 402.495 1.006 20 0 HDADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000673782979 1073722593 /nfs/dbraw/zinc/72/25/93/1073722593.db2.gz DMUJAUQKGDGRBJ-AWEZNQCLSA-N 1 2 415.412 1.976 20 0 HDADLO Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cn2)n1 ZINC000673784747 1073726214 /nfs/dbraw/zinc/72/62/14/1073726214.db2.gz JVJHYLJCPUDAOI-SFHVURJKSA-N 1 2 412.494 1.146 20 0 HDADLO O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785347 1073728816 /nfs/dbraw/zinc/72/88/16/1073728816.db2.gz QYSJZUULERIQRP-VQTJNVASSA-N 1 2 417.506 1.506 20 0 HDADLO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(OC)cc1Cl ZINC000673785360 1073728889 /nfs/dbraw/zinc/72/88/89/1073728889.db2.gz REHIOBGJTYDTIA-CYBMUJFWSA-N 1 2 411.886 1.619 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)[nH+]c12 ZINC000673788111 1073742989 /nfs/dbraw/zinc/74/29/89/1073742989.db2.gz FWCRMWRYWVLAMM-ZDUSSCGKSA-N 1 2 407.430 1.660 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(-c4nncn4C)c3)[nH+]c12 ZINC000673787893 1073743010 /nfs/dbraw/zinc/74/30/10/1073743010.db2.gz ZEUWTLGUMUNUNC-UHFFFAOYSA-N 1 2 403.446 1.736 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(CC(=O)N(C)C)cc3)[nH+]c12 ZINC000673788911 1073744665 /nfs/dbraw/zinc/74/46/65/1073744665.db2.gz QIQJGAXWCYSBNG-UHFFFAOYSA-N 1 2 407.474 1.571 20 0 HDADLO Cc1cccn2cc(CCNc3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)[nH+]c12 ZINC000673816943 1073772549 /nfs/dbraw/zinc/77/25/49/1073772549.db2.gz HUUMPTODHGPOJA-UHFFFAOYSA-N 1 2 408.505 1.348 20 0 HDADLO CN1C(=O)CC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000483704541 1073782925 /nfs/dbraw/zinc/78/29/25/1073782925.db2.gz FGIMJDPXJJKSPM-LJQANCHMSA-N 1 2 411.481 1.784 20 0 HDADLO O=C(CCNC(=O)c1cc(F)cc2nccnc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000216348431 1073789572 /nfs/dbraw/zinc/78/95/72/1073789572.db2.gz CIDJGYXPSJNAKG-UHFFFAOYSA-N 1 2 408.437 1.633 20 0 HDADLO O=C(NCC1CCN(CC(F)(F)F)CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000429150693 1073791451 /nfs/dbraw/zinc/79/14/51/1073791451.db2.gz LCRDOPQFBCNUEO-KRWDZBQOSA-N 1 2 424.533 1.768 20 0 HDADLO CN(C)c1nc(CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cs1 ZINC000673849395 1073815093 /nfs/dbraw/zinc/81/50/93/1073815093.db2.gz QNEAHQWXOKBMMY-UHFFFAOYSA-N 1 2 419.551 1.920 20 0 HDADLO CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(=O)OC ZINC000029632101 1073845839 /nfs/dbraw/zinc/84/58/39/1073845839.db2.gz OXOALCYBRGASCZ-BEFAXECRSA-N 1 2 405.543 1.734 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCOCc2ccccc2)CC1 ZINC000673887855 1073848092 /nfs/dbraw/zinc/84/80/92/1073848092.db2.gz VGQFDPRLZOHACH-UHFFFAOYSA-N 1 2 424.501 1.346 20 0 HDADLO O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000429172752 1073946774 /nfs/dbraw/zinc/94/67/74/1073946774.db2.gz LDYPWRKQIZWQEQ-SFHVURJKSA-N 1 2 409.490 1.942 20 0 HDADLO O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000429172752 1073946779 /nfs/dbraw/zinc/94/67/79/1073946779.db2.gz LDYPWRKQIZWQEQ-SFHVURJKSA-N 1 2 409.490 1.942 20 0 HDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000429176128 1073952490 /nfs/dbraw/zinc/95/24/90/1073952490.db2.gz WKQYQUWWKGFLGN-IKGGRYGDSA-N 1 2 401.429 1.985 20 0 HDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000429176128 1073952492 /nfs/dbraw/zinc/95/24/92/1073952492.db2.gz WKQYQUWWKGFLGN-IKGGRYGDSA-N 1 2 401.429 1.985 20 0 HDADLO C[C@H](C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000785472153 1073959696 /nfs/dbraw/zinc/95/96/96/1073959696.db2.gz KVGWIKWUNIJWBD-MRXNPFEDSA-N 1 2 401.515 1.693 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000429180736 1073972819 /nfs/dbraw/zinc/97/28/19/1073972819.db2.gz KNYIFFVTVSKGEO-ONTIZHBOSA-N 1 2 423.529 1.234 20 0 HDADLO O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529312 1074008867 /nfs/dbraw/zinc/00/88/67/1074008867.db2.gz KOSOJPAFNYXAEV-UHFFFAOYSA-N 1 2 422.913 1.041 20 0 HDADLO NC(=O)CN(C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)C1CCCC1 ZINC000058396713 1074010876 /nfs/dbraw/zinc/01/08/76/1074010876.db2.gz UQGZBMPXQNRGOT-UHFFFAOYSA-N 1 2 402.476 1.753 20 0 HDADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[NH+]1CCOCC1 ZINC000543532015 1074026245 /nfs/dbraw/zinc/02/62/45/1074026245.db2.gz JWZQIZHGMHRCHB-KRWDZBQOSA-N 1 2 406.531 1.585 20 0 HDADLO CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000509193094 1074030779 /nfs/dbraw/zinc/03/07/79/1074030779.db2.gz DDQJZISIZFFFLC-SJLPKXTDSA-N 1 2 416.522 1.414 20 0 HDADLO CCOC(=O)c1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]c1C ZINC001626092778 1074042685 /nfs/dbraw/zinc/04/26/85/1074042685.db2.gz CISWYLLHWNZARJ-UHFFFAOYSA-N 1 2 413.478 1.364 20 0 HDADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000429197275 1074049277 /nfs/dbraw/zinc/04/92/77/1074049277.db2.gz OBLXFNWEXKMSEY-AYOQOUSVSA-N 1 2 413.522 1.398 20 0 HDADLO CC(C)(C)OC(=O)N1CC[C@H](CCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766048921 1074049891 /nfs/dbraw/zinc/04/98/91/1074049891.db2.gz OEOOGMPOKYKYAJ-INIZCTEOSA-N 1 2 405.561 1.275 20 0 HDADLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000543548299 1074063400 /nfs/dbraw/zinc/06/34/00/1074063400.db2.gz HSRVOZMERPWAIP-UONOGXRCSA-N 1 2 403.458 1.914 20 0 HDADLO O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000466601798 1074065343 /nfs/dbraw/zinc/06/53/43/1074065343.db2.gz OSJGEGUIKHKVOV-IVAOSVALSA-N 1 2 412.534 1.650 20 0 HDADLO COc1cc(F)c(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC001626093879 1074080011 /nfs/dbraw/zinc/08/00/11/1074080011.db2.gz PPTSDHIAILVLNZ-UHFFFAOYSA-N 1 2 404.417 1.837 20 0 HDADLO O=C(COc1ccccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)N1CCOCC1 ZINC000674026133 1074092819 /nfs/dbraw/zinc/09/28/19/1074092819.db2.gz UDGXAJDRYUBOFE-KRWDZBQOSA-N 1 2 413.478 1.990 20 0 HDADLO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccon1 ZINC000543575725 1074153499 /nfs/dbraw/zinc/15/34/99/1074153499.db2.gz ZYFSNNDWFFRELZ-HNNXBMFYSA-N 1 2 418.519 1.347 20 0 HDADLO COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032489566 1074169090 /nfs/dbraw/zinc/16/90/90/1074169090.db2.gz MBTKCNBCPVKZLU-GOSISDBHSA-N 1 2 419.522 1.279 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000509218422 1074173902 /nfs/dbraw/zinc/17/39/02/1074173902.db2.gz OLVRXQQNOKMJAN-HOTGVXAUSA-N 1 2 417.597 1.820 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000509218422 1074173904 /nfs/dbraw/zinc/17/39/04/1074173904.db2.gz OLVRXQQNOKMJAN-HOTGVXAUSA-N 1 2 417.597 1.820 20 0 HDADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674164921 1074198084 /nfs/dbraw/zinc/19/80/84/1074198084.db2.gz SGJKEZODURJXSV-IRXDYDNUSA-N 1 2 405.524 1.427 20 0 HDADLO CC(=O)N[C@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001128642727 1074200550 /nfs/dbraw/zinc/20/05/50/1074200550.db2.gz LQTXIELQYOIFKV-DYVFJYSZSA-N 1 2 412.328 1.805 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)CC1 ZINC000674199922 1074215729 /nfs/dbraw/zinc/21/57/29/1074215729.db2.gz NTIMWQPABYAWIR-UHFFFAOYSA-N 1 2 424.505 1.142 20 0 HDADLO O=C(Nc1cccc(Cn2cccnc2=O)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674203094 1074217466 /nfs/dbraw/zinc/21/74/66/1074217466.db2.gz ZSFGPSKRMKQMBG-SFHVURJKSA-N 1 2 406.446 1.290 20 0 HDADLO O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674201751 1074217566 /nfs/dbraw/zinc/21/75/66/1074217566.db2.gz DCJISUPGSSWSBS-KRWDZBQOSA-N 1 2 417.491 1.225 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000674362781 1074293724 /nfs/dbraw/zinc/29/37/24/1074293724.db2.gz HIAQOUSZKYVJHM-ZDUSSCGKSA-N 1 2 404.492 1.685 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000674362781 1074293730 /nfs/dbraw/zinc/29/37/30/1074293730.db2.gz HIAQOUSZKYVJHM-ZDUSSCGKSA-N 1 2 404.492 1.685 20 0 HDADLO CS(=O)(=O)CC1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000429226839 1074300945 /nfs/dbraw/zinc/30/09/45/1074300945.db2.gz MFAWQOGKTQWYRH-UHFFFAOYSA-N 1 2 409.552 1.214 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000674428106 1074330616 /nfs/dbraw/zinc/33/06/16/1074330616.db2.gz XFIYMRVHWRRVOC-KKSFZXQISA-N 1 2 414.510 1.592 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000674441329 1074340051 /nfs/dbraw/zinc/34/00/51/1074340051.db2.gz ULKUQHRVIVAKFZ-HNAYVOBHSA-N 1 2 405.524 1.296 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CCN2C1=O ZINC000674466952 1074365354 /nfs/dbraw/zinc/36/53/54/1074365354.db2.gz AGXQPAGAZXFQQI-GJZGRUSLSA-N 1 2 410.396 1.779 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CCN2C1=O ZINC000674466952 1074365360 /nfs/dbraw/zinc/36/53/60/1074365360.db2.gz AGXQPAGAZXFQQI-GJZGRUSLSA-N 1 2 410.396 1.779 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@@H](C)c3ccc(Br)cc3)CCN2C1=O ZINC000674469219 1074367480 /nfs/dbraw/zinc/36/74/80/1074367480.db2.gz CMNXFMXMPHBNKB-WFASDCNBSA-N 1 2 423.311 1.595 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@@H](C)c3ccc(Br)cc3)CCN2C1=O ZINC000674469219 1074367483 /nfs/dbraw/zinc/36/74/83/1074367483.db2.gz CMNXFMXMPHBNKB-WFASDCNBSA-N 1 2 423.311 1.595 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@@H](C)c3ccc(Br)cc3)CCN2C1=O ZINC000674469217 1074367502 /nfs/dbraw/zinc/36/75/02/1074367502.db2.gz CMNXFMXMPHBNKB-SWLSCSKDSA-N 1 2 423.311 1.595 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@@H](C)c3ccc(Br)cc3)CCN2C1=O ZINC000674469217 1074367505 /nfs/dbraw/zinc/36/75/05/1074367505.db2.gz CMNXFMXMPHBNKB-SWLSCSKDSA-N 1 2 423.311 1.595 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c3cc(OC)ccc3OC)CCN2C1=O ZINC000674473432 1074370603 /nfs/dbraw/zinc/37/06/03/1074370603.db2.gz UDYYKOYJCVZVMD-KEYYUXOJSA-N 1 2 418.494 1.238 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@H](C)c3cc(OC)ccc3OC)CCN2C1=O ZINC000674473432 1074370606 /nfs/dbraw/zinc/37/06/06/1074370606.db2.gz UDYYKOYJCVZVMD-KEYYUXOJSA-N 1 2 418.494 1.238 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CCCCC3)CCN2C1=O ZINC000674502216 1074396944 /nfs/dbraw/zinc/39/69/44/1074396944.db2.gz WEJDAOBLKOTSSZ-IBGZPJMESA-N 1 2 412.534 1.973 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CCCCC3)CCN2C1=O ZINC000674502216 1074396952 /nfs/dbraw/zinc/39/69/52/1074396952.db2.gz WEJDAOBLKOTSSZ-IBGZPJMESA-N 1 2 412.534 1.973 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)Cc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000674501741 1074397944 /nfs/dbraw/zinc/39/79/44/1074397944.db2.gz QBXVKAAMGQBFQO-OAHLLOKOSA-N 1 2 413.305 1.920 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)Cc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000674501741 1074397951 /nfs/dbraw/zinc/39/79/51/1074397951.db2.gz QBXVKAAMGQBFQO-OAHLLOKOSA-N 1 2 413.305 1.920 20 0 HDADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000674499185 1074409977 /nfs/dbraw/zinc/40/99/77/1074409977.db2.gz YHSMBGZGWQBABO-OKILXGFUSA-N 1 2 406.870 1.309 20 0 HDADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000674499185 1074409981 /nfs/dbraw/zinc/40/99/81/1074409981.db2.gz YHSMBGZGWQBABO-OKILXGFUSA-N 1 2 406.870 1.309 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1C ZINC000674639119 1074498807 /nfs/dbraw/zinc/49/88/07/1074498807.db2.gz ORDZLYGQJAJHGZ-VBKZILBWSA-N 1 2 403.483 1.569 20 0 HDADLO C[C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674666357 1074509830 /nfs/dbraw/zinc/50/98/30/1074509830.db2.gz SWICIUGJMBBUAT-DNVCBOLYSA-N 1 2 412.577 1.518 20 0 HDADLO Cn1cc[nH+]c1CCC(=O)N1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001005486340 1074518782 /nfs/dbraw/zinc/51/87/82/1074518782.db2.gz MSSXHKRDDBLYCB-OQPDCJGNSA-N 1 2 400.523 1.664 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674919657 1074621177 /nfs/dbraw/zinc/62/11/77/1074621177.db2.gz BPXWTJSILYUPKB-SFTDATJTSA-N 1 2 419.522 1.487 20 0 HDADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC001128898331 1074648026 /nfs/dbraw/zinc/64/80/26/1074648026.db2.gz GFQZGGSUWPNJIJ-JSGCOSHPSA-N 1 2 421.299 1.360 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCC(OCCCO)CC1 ZINC000674979512 1074652194 /nfs/dbraw/zinc/65/21/94/1074652194.db2.gz DFUYHTONGDMSLR-HXUWFJFHSA-N 1 2 405.539 1.503 20 0 HDADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)c1)[NH+]1CCOCC1 ZINC000675007176 1074688849 /nfs/dbraw/zinc/68/88/49/1074688849.db2.gz FFDNKNJRGGNRTF-KRWDZBQOSA-N 1 2 419.522 1.408 20 0 HDADLO Cc1cc(NC(=O)C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)no1 ZINC000553155843 1074688997 /nfs/dbraw/zinc/68/89/97/1074688997.db2.gz YYMKQCAUZFCTGX-UHFFFAOYSA-N 1 2 422.239 2.203 20 0 HDADLO Cc1cc(F)c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000675085345 1074701450 /nfs/dbraw/zinc/70/14/50/1074701450.db2.gz SVKZMXRBKWUELJ-UHFFFAOYSA-N 1 2 424.473 1.550 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)N[C@@H]2COc3c2cccc3Cl)CC1 ZINC000675121260 1074724936 /nfs/dbraw/zinc/72/49/36/1074724936.db2.gz GHCORBBVHOVWHG-OAHLLOKOSA-N 1 2 413.869 1.982 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000574349794 1074730233 /nfs/dbraw/zinc/73/02/33/1074730233.db2.gz VJLHZRCMZXFQPG-HNNXBMFYSA-N 1 2 424.427 1.906 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCC(=O)N3CCCCCC3)ccn2)CC1 ZINC000543615444 1074735640 /nfs/dbraw/zinc/73/56/40/1074735640.db2.gz DMBDFHZATGCMLS-UHFFFAOYSA-N 1 2 416.526 1.383 20 0 HDADLO C[C@@H]1CN(CCNc2nc3ncccc3nc2NCC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000675151004 1074737519 /nfs/dbraw/zinc/73/75/19/1074737519.db2.gz YHGSTHMBGXSFFK-IAGOWNOFSA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1CN(CCNc2nc3ncccc3nc2NCC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000675151004 1074737530 /nfs/dbraw/zinc/73/75/30/1074737530.db2.gz YHGSTHMBGXSFFK-IAGOWNOFSA-N 1 2 415.542 1.290 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1cc(-c2ccccc2F)on1 ZINC000434073083 1074741064 /nfs/dbraw/zinc/74/10/64/1074741064.db2.gz SJNLTPNFMGTILB-UHFFFAOYSA-N 1 2 411.441 2.214 20 0 HDADLO CCNC(=O)c1ccc(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000543615024 1074742432 /nfs/dbraw/zinc/74/24/32/1074742432.db2.gz NHZFKVFGJYGRFP-UHFFFAOYSA-N 1 2 424.505 1.541 20 0 HDADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2)[nH]1 ZINC000505793588 1074743646 /nfs/dbraw/zinc/74/36/46/1074743646.db2.gz VRPYTLKQISDFCT-UHFFFAOYSA-N 1 2 418.413 1.714 20 0 HDADLO Cc1nc(C)c(CCNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)s1 ZINC000543615768 1074757336 /nfs/dbraw/zinc/75/73/36/1074757336.db2.gz PFFJNJPJZAKXSH-UHFFFAOYSA-N 1 2 402.524 1.907 20 0 HDADLO O=C(CNC(=O)c1ccc(Br)s1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219716 1074761912 /nfs/dbraw/zinc/76/19/12/1074761912.db2.gz LCYRCLZXSAABHP-LLVKDONJSA-N 1 2 402.314 1.174 20 0 HDADLO O=C(Nc1ccccc1CN1CCNC1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000543616974 1074765183 /nfs/dbraw/zinc/76/51/83/1074765183.db2.gz PXDRGRHYCVAGHX-SFHVURJKSA-N 1 2 401.511 1.930 20 0 HDADLO O=C(NCCc1nccn1Cc1ccccc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438301763 1074775400 /nfs/dbraw/zinc/77/54/00/1074775400.db2.gz GRAOHTDQEJTAFT-UHFFFAOYSA-N 1 2 423.521 1.824 20 0 HDADLO C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000675256276 1074779478 /nfs/dbraw/zinc/77/94/78/1074779478.db2.gz ZZCSDYCUMJCJSX-GJZGRUSLSA-N 1 2 408.480 1.220 20 0 HDADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000675258942 1074780455 /nfs/dbraw/zinc/78/04/55/1074780455.db2.gz QJBHPFBYJBCCIE-IMJJTQAJSA-N 1 2 406.512 1.863 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000675287237 1074780818 /nfs/dbraw/zinc/78/08/18/1074780818.db2.gz ZMOBKVAKPFZCPG-QGZVFWFLSA-N 1 2 405.476 1.824 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000675287237 1074780828 /nfs/dbraw/zinc/78/08/28/1074780828.db2.gz ZMOBKVAKPFZCPG-QGZVFWFLSA-N 1 2 405.476 1.824 20 0 HDADLO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438313440 1074785384 /nfs/dbraw/zinc/78/53/84/1074785384.db2.gz DYXKYHWOLCZGOK-PZJWPPBQSA-N 1 2 413.522 2.505 20 0 HDADLO CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280367 1074785495 /nfs/dbraw/zinc/78/54/95/1074785495.db2.gz CXTPAHINBLJCTP-NQIIRXRSSA-N 1 2 412.534 1.784 20 0 HDADLO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675296985 1074790925 /nfs/dbraw/zinc/79/09/25/1074790925.db2.gz SRIXJIOBDXRKRL-CZUORRHYSA-N 1 2 417.416 1.247 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1nnc(-c2ccccc2)s1 ZINC000548482432 1074793711 /nfs/dbraw/zinc/79/37/11/1074793711.db2.gz COHXXMXOMZPNFJ-SFHVURJKSA-N 1 2 405.549 2.535 20 0 HDADLO COC(=O)c1c(F)cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1F ZINC000575074270 1074796909 /nfs/dbraw/zinc/79/69/09/1074796909.db2.gz NAOARVISPIHDJY-UHFFFAOYSA-N 1 2 409.393 1.924 20 0 HDADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1nc2cc(Cl)ccn2n1 ZINC000583924227 1074815572 /nfs/dbraw/zinc/81/55/72/1074815572.db2.gz LJHSNGZOKOQRKA-UHFFFAOYSA-N 1 2 400.870 2.537 20 0 HDADLO O=C(NCc1cccnc1)C1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000540295699 1074817073 /nfs/dbraw/zinc/81/70/73/1074817073.db2.gz PXTBMRZWJBFJJN-UHFFFAOYSA-N 1 2 406.490 1.962 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448477824 1074818639 /nfs/dbraw/zinc/81/86/39/1074818639.db2.gz KOERDYKBHKPXLE-UHFFFAOYSA-N 1 2 410.400 2.086 20 0 HDADLO O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675423951 1075139451 /nfs/dbraw/zinc/13/94/51/1075139451.db2.gz XMYBLIFOHYOZBW-WOJBJXKFSA-N 1 2 423.517 1.397 20 0 HDADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000429345034 1075145860 /nfs/dbraw/zinc/14/58/60/1075145860.db2.gz BFTPLQFUJGHVNM-TZMCWYRMSA-N 1 2 417.441 1.840 20 0 HDADLO COC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675466347 1075161340 /nfs/dbraw/zinc/16/13/40/1075161340.db2.gz ODVKPEPGEZOPKW-ZWKOTPCHSA-N 1 2 409.914 1.467 20 0 HDADLO COC[C@H](NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)c1ccc(Cl)cc1 ZINC000675472007 1075167897 /nfs/dbraw/zinc/16/78/97/1075167897.db2.gz GXMFVQYCVYHKBT-SFHVURJKSA-N 1 2 411.930 1.713 20 0 HDADLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC000675494540 1075177981 /nfs/dbraw/zinc/17/79/81/1075177981.db2.gz BHZZSXZRCGNFIO-KRWDZBQOSA-N 1 2 415.515 1.800 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000480753261 1075187736 /nfs/dbraw/zinc/18/77/36/1075187736.db2.gz BBKZJQMMXJKTFA-UHFFFAOYSA-N 1 2 421.505 1.991 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000447073692 1075189029 /nfs/dbraw/zinc/18/90/29/1075189029.db2.gz XWQOXKXBSOVRGO-HNNXBMFYSA-N 1 2 420.464 1.894 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000486233569 1075189839 /nfs/dbraw/zinc/18/98/39/1075189839.db2.gz SEFZFRQQFTVOKO-SFHVURJKSA-N 1 2 412.494 1.850 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000426991831 1075190423 /nfs/dbraw/zinc/19/04/23/1075190423.db2.gz OVKARVRLPPBVQV-UHFFFAOYSA-N 1 2 406.899 2.573 20 0 HDADLO Cc1c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cnn1-c1ccc(F)cc1 ZINC000675541650 1075198094 /nfs/dbraw/zinc/19/80/94/1075198094.db2.gz YRUDQPNEONQQSD-LJQANCHMSA-N 1 2 402.470 1.883 20 0 HDADLO Cc1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1C(=O)N(C)C ZINC000470420419 1075198915 /nfs/dbraw/zinc/19/89/15/1075198915.db2.gz XARKHJYJSHKOCO-UHFFFAOYSA-N 1 2 400.483 1.870 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000675583240 1075212862 /nfs/dbraw/zinc/21/28/62/1075212862.db2.gz HLAMCWQVYLEHRH-UHFFFAOYSA-N 1 2 412.450 1.048 20 0 HDADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)no1 ZINC000532178686 1075225461 /nfs/dbraw/zinc/22/54/61/1075225461.db2.gz BQSYSXBMQLYPSI-HRCADAONSA-N 1 2 410.540 1.803 20 0 HDADLO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000466689460 1075225476 /nfs/dbraw/zinc/22/54/76/1075225476.db2.gz FMQRMAWDRGFFRK-DOTOQJQBSA-N 1 2 415.515 1.808 20 0 HDADLO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000466689460 1075225480 /nfs/dbraw/zinc/22/54/80/1075225480.db2.gz FMQRMAWDRGFFRK-DOTOQJQBSA-N 1 2 415.515 1.808 20 0 HDADLO Cc1cc(NC(=O)C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)n(C)n1 ZINC001005743148 1075227223 /nfs/dbraw/zinc/22/72/23/1075227223.db2.gz XOGRJXHIKFBOJK-SUFIHLRJSA-N 1 2 401.511 1.013 20 0 HDADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675590057 1075228521 /nfs/dbraw/zinc/22/85/21/1075228521.db2.gz QLOYYURICSYFIT-MRXNPFEDSA-N 1 2 412.425 1.642 20 0 HDADLO Cc1cc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc(-c2ccccn2)n1 ZINC000553962516 1075241917 /nfs/dbraw/zinc/24/19/17/1075241917.db2.gz WUBAOHLXWXFPMM-UHFFFAOYSA-N 1 2 403.490 2.393 20 0 HDADLO Cc1ccc(OC(F)F)c(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000509359855 1075250302 /nfs/dbraw/zinc/25/03/02/1075250302.db2.gz SZSQSUUSRWQBQH-UHFFFAOYSA-N 1 2 418.510 1.206 20 0 HDADLO O=C(Nc1cccc(Cn2cccn2)c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675702110 1075256632 /nfs/dbraw/zinc/25/66/32/1075256632.db2.gz RRMIWZRIFDJABL-PMACEKPBSA-N 1 2 411.506 1.630 20 0 HDADLO CCN1CCc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc21 ZINC000675702189 1075256958 /nfs/dbraw/zinc/25/69/58/1075256958.db2.gz XSFOEOVRBXSMEM-MOPGFXCFSA-N 1 2 400.523 1.767 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1OCCc2ccccc21 ZINC000675795397 1075270133 /nfs/dbraw/zinc/27/01/33/1075270133.db2.gz PHRLIBJXOHUFJD-HXUWFJFHSA-N 1 2 408.502 1.941 20 0 HDADLO O=C(CCC(=O)N1CCO[C@@H](C(F)(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000675804288 1075273842 /nfs/dbraw/zinc/27/38/42/1075273842.db2.gz UBFKUBGOYPHKSR-CQSZACIVSA-N 1 2 400.401 1.300 20 0 HDADLO CCn1cc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c(=O)c2cc(Cl)ccc21 ZINC000543645835 1075279963 /nfs/dbraw/zinc/27/99/63/1075279963.db2.gz GVKCVMDGQVWJLS-UHFFFAOYSA-N 1 2 418.925 1.957 20 0 HDADLO CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1n1cccn1 ZINC001129088981 1075284828 /nfs/dbraw/zinc/28/48/28/1075284828.db2.gz KHSYWVVJKMAARV-ICBNADEASA-N 1 2 406.527 1.376 20 0 HDADLO COc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1OCC(N)=O ZINC000051865280 1075291543 /nfs/dbraw/zinc/29/15/43/1075291543.db2.gz DXHBVXVUVPSBAB-UHFFFAOYSA-N 1 2 404.492 2.254 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCCOC[C@@H]3CCOC3)CC2)c1 ZINC000675984025 1075314036 /nfs/dbraw/zinc/31/40/36/1075314036.db2.gz YJHJCZSNCJIYSR-GOSISDBHSA-N 1 2 407.511 1.454 20 0 HDADLO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000731355125 1075317459 /nfs/dbraw/zinc/31/74/59/1075317459.db2.gz NVPKUOVSLLEZAC-GFCCVEGCSA-N 1 2 409.512 1.341 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC[C@]1(O)CCCc2ccccc21 ZINC000731360181 1075320516 /nfs/dbraw/zinc/32/05/16/1075320516.db2.gz VVYXTRKZDNJZFN-LEWJYISDSA-N 1 2 405.564 1.718 20 0 HDADLO Cc1ccc(OCCCCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438316695 1075322611 /nfs/dbraw/zinc/32/26/11/1075322611.db2.gz HKZNUUDJSDLEBW-UHFFFAOYSA-N 1 2 401.511 2.504 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000804076360 1075337498 /nfs/dbraw/zinc/33/74/98/1075337498.db2.gz GGXBALGFIWTTIS-ROUUACIJSA-N 1 2 402.882 1.792 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000804076360 1075337507 /nfs/dbraw/zinc/33/75/07/1075337507.db2.gz GGXBALGFIWTTIS-ROUUACIJSA-N 1 2 402.882 1.792 20 0 HDADLO Cc1cccc(C2=CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)c1 ZINC000537824234 1075343074 /nfs/dbraw/zinc/34/30/74/1075343074.db2.gz OTKVQZHFWYKOHS-UHFFFAOYSA-N 1 2 423.517 1.778 20 0 HDADLO Cc1cccc(N2C[C@@H](C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2=O)c1C ZINC000520927256 1075345899 /nfs/dbraw/zinc/34/58/99/1075345899.db2.gz VMIYELZUFDLTDZ-SFHVURJKSA-N 1 2 411.506 1.824 20 0 HDADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CC1 ZINC000543656278 1075347202 /nfs/dbraw/zinc/34/72/02/1075347202.db2.gz MVLUIUGBDRIFGX-UHFFFAOYSA-N 1 2 422.942 1.955 20 0 HDADLO COc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(OCC2CC2)c1 ZINC000409541378 1075362910 /nfs/dbraw/zinc/36/29/10/1075362910.db2.gz RNOGWVVAPSUFKA-UHFFFAOYSA-N 1 2 400.479 2.265 20 0 HDADLO C[C@]1(c2cccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2)NC(=O)NC1=O ZINC000676109059 1075385237 /nfs/dbraw/zinc/38/52/37/1075385237.db2.gz BBQUKLNMUYJZKW-JOCHJYFZSA-N 1 2 403.442 1.916 20 0 HDADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000543663462 1075420384 /nfs/dbraw/zinc/42/03/84/1075420384.db2.gz ORZVBTDSRCXHDI-LSDHHAIUSA-N 1 2 400.483 1.510 20 0 HDADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000448476393 1075423625 /nfs/dbraw/zinc/42/36/25/1075423625.db2.gz AVMGZOSHIFBWGB-UHFFFAOYSA-N 1 2 423.452 1.834 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000731648734 1075429507 /nfs/dbraw/zinc/42/95/07/1075429507.db2.gz SOLFJDDOVRUVFG-UHFFFAOYSA-N 1 2 407.561 1.978 20 0 HDADLO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650463 1075430927 /nfs/dbraw/zinc/43/09/27/1075430927.db2.gz FMFHUALGVIFYOG-UHFFFAOYSA-N 1 2 422.526 1.867 20 0 HDADLO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650572 1075435671 /nfs/dbraw/zinc/43/56/71/1075435671.db2.gz UOHBEEGSNZCJPH-FQEVSTJZSA-N 1 2 421.563 1.148 20 0 HDADLO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650536 1075435792 /nfs/dbraw/zinc/43/57/92/1075435792.db2.gz RBVNYNBPOLWZOF-UHFFFAOYSA-N 1 2 404.536 1.728 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000731686342 1075447071 /nfs/dbraw/zinc/44/70/71/1075447071.db2.gz RFHUSFIGLJFQDA-UHFFFAOYSA-N 1 2 421.563 1.800 20 0 HDADLO COc1ccccc1N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731686004 1075448004 /nfs/dbraw/zinc/44/80/04/1075448004.db2.gz HUXSSTDMQSIYDI-UHFFFAOYSA-N 1 2 424.567 1.036 20 0 HDADLO Cc1ccc(N2CCCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)cc1 ZINC000731685893 1075448473 /nfs/dbraw/zinc/44/84/73/1075448473.db2.gz FKDMCFDXJZMWSU-UHFFFAOYSA-N 1 2 422.595 1.726 20 0 HDADLO Cc1ccc2nc(CSCC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cn2c1 ZINC000731687450 1075449444 /nfs/dbraw/zinc/44/94/44/1075449444.db2.gz PNZIHJMGBQLAND-UHFFFAOYSA-N 1 2 424.592 1.501 20 0 HDADLO C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676256924 1075451523 /nfs/dbraw/zinc/45/15/23/1075451523.db2.gz JAMMHHXAVDBBEP-HNAYVOBHSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676256924 1075451528 /nfs/dbraw/zinc/45/15/28/1075451528.db2.gz JAMMHHXAVDBBEP-HNAYVOBHSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257905 1075452198 /nfs/dbraw/zinc/45/21/98/1075452198.db2.gz NTKGWLYJJMEDLV-BEFAXECRSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257905 1075452203 /nfs/dbraw/zinc/45/22/03/1075452203.db2.gz NTKGWLYJJMEDLV-BEFAXECRSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@@H]1C[N@H+](C)CCO1 ZINC000676260694 1075458324 /nfs/dbraw/zinc/45/83/24/1075458324.db2.gz MQDOLCHWVFQIKG-CABCVRRESA-N 1 2 415.581 1.618 20 0 HDADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676260694 1075458328 /nfs/dbraw/zinc/45/83/28/1075458328.db2.gz MQDOLCHWVFQIKG-CABCVRRESA-N 1 2 415.581 1.618 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000731678322 1075461358 /nfs/dbraw/zinc/46/13/58/1075461358.db2.gz NAAFNVOWGYKHRD-UHFFFAOYSA-N 1 2 400.448 1.792 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000731680501 1075462360 /nfs/dbraw/zinc/46/23/60/1075462360.db2.gz OGOZZNZSMAXNNB-INIZCTEOSA-N 1 2 403.932 1.182 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(OC3CCCC3)nc2)CC1 ZINC000731682018 1075465113 /nfs/dbraw/zinc/46/51/13/1075465113.db2.gz FXQZFZSAOZYBTR-UHFFFAOYSA-N 1 2 424.567 1.711 20 0 HDADLO CCn1c(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nc2ccccc21 ZINC000731682356 1075465130 /nfs/dbraw/zinc/46/51/30/1075465130.db2.gz WWTSUMYYQVXLKB-UHFFFAOYSA-N 1 2 421.567 1.407 20 0 HDADLO CC(C)[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1nnc2ccccn21 ZINC000731683373 1075465573 /nfs/dbraw/zinc/46/55/73/1075465573.db2.gz QTKLHMQPRVMNQK-QGZVFWFLSA-N 1 2 422.555 1.235 20 0 HDADLO CC(C)COC[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccco1 ZINC000731682942 1075466634 /nfs/dbraw/zinc/46/66/34/1075466634.db2.gz IPPGETICACSJRE-QGZVFWFLSA-N 1 2 415.556 1.802 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCCc2c1cnn2CCO ZINC000676270637 1075473361 /nfs/dbraw/zinc/47/33/61/1075473361.db2.gz WBLPCSQJBUDWKQ-KRWDZBQOSA-N 1 2 400.483 1.615 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(CCO)CCc1ccccc1 ZINC000676270552 1075473911 /nfs/dbraw/zinc/47/39/11/1075473911.db2.gz CURFDCWOVJPTKJ-UHFFFAOYSA-N 1 2 412.490 1.229 20 0 HDADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[C@H]1C[N@H+](C)CCO1 ZINC000676287236 1075492337 /nfs/dbraw/zinc/49/23/37/1075492337.db2.gz PNZCRVDZGULYCN-TZMCWYRMSA-N 1 2 413.521 1.269 20 0 HDADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)NCc1ccco1)[C@H]1C[N@@H+](C)CCO1 ZINC000676287236 1075492340 /nfs/dbraw/zinc/49/23/40/1075492340.db2.gz PNZCRVDZGULYCN-TZMCWYRMSA-N 1 2 413.521 1.269 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000731764866 1075499789 /nfs/dbraw/zinc/49/97/89/1075499789.db2.gz HFZNHJCZIDRYPK-UHFFFAOYSA-N 1 2 422.334 1.557 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000731764901 1075500206 /nfs/dbraw/zinc/50/02/06/1075500206.db2.gz IXOULHZVPVITRJ-UHFFFAOYSA-N 1 2 405.879 1.043 20 0 HDADLO CC[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc2c(c1)OCCO2 ZINC000438308319 1075500531 /nfs/dbraw/zinc/50/05/31/1075500531.db2.gz VUKBFSZADZJFGL-KRWDZBQOSA-N 1 2 415.494 2.259 20 0 HDADLO COc1cccc(OCCN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676308103 1075505283 /nfs/dbraw/zinc/50/52/83/1075505283.db2.gz VBIVARBOYIEJKC-FXAWDEMLSA-N 1 2 406.527 1.120 20 0 HDADLO COc1cccc(OCCN2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676308103 1075505286 /nfs/dbraw/zinc/50/52/86/1075505286.db2.gz VBIVARBOYIEJKC-FXAWDEMLSA-N 1 2 406.527 1.120 20 0 HDADLO CCN(CC)C(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731751222 1075507831 /nfs/dbraw/zinc/50/78/31/1075507831.db2.gz DPEUQBMHSTVFDD-UHFFFAOYSA-N 1 2 424.567 1.799 20 0 HDADLO COc1ccc2nc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)sc2c1 ZINC000731750650 1075508372 /nfs/dbraw/zinc/50/83/72/1075508372.db2.gz BXJIKGHCQHTMHA-UHFFFAOYSA-N 1 2 412.537 1.935 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1 ZINC000731752364 1075508380 /nfs/dbraw/zinc/50/83/80/1075508380.db2.gz ASYAKYSQLTYVHW-UHFFFAOYSA-N 1 2 412.487 1.341 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)c2)CC1 ZINC000509405277 1075513181 /nfs/dbraw/zinc/51/31/81/1075513181.db2.gz QOYKUXDLWYOENT-NRFANRHFSA-N 1 2 410.518 1.092 20 0 HDADLO O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676339977 1075513130 /nfs/dbraw/zinc/51/31/30/1075513130.db2.gz NDLLTSXFFJCRHH-HZPDHXFCSA-N 1 2 413.565 1.224 20 0 HDADLO O=C(N[C@H](Cc1cccnc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000676340028 1075513235 /nfs/dbraw/zinc/51/32/35/1075513235.db2.gz OVERZAQFDZXRRB-LEWJYISDSA-N 1 2 408.502 1.356 20 0 HDADLO O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676342496 1075516330 /nfs/dbraw/zinc/51/63/30/1075516330.db2.gz PZPLRBNXAZPVFU-MOPGFXCFSA-N 1 2 401.507 1.237 20 0 HDADLO Cc1cc(Cl)ccc1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731765088 1075518877 /nfs/dbraw/zinc/51/88/77/1075518877.db2.gz NNNIWHQQXNUYTG-UHFFFAOYSA-N 1 2 401.916 1.212 20 0 HDADLO Cc1c(Cl)cccc1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731765463 1075518904 /nfs/dbraw/zinc/51/89/04/1075518904.db2.gz RSFUXZNCZXYCFT-UHFFFAOYSA-N 1 2 401.916 1.212 20 0 HDADLO Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000559722776 1075522302 /nfs/dbraw/zinc/52/23/02/1075522302.db2.gz YEUDIFXZUKOJQM-CVEARBPZSA-N 1 2 422.892 2.195 20 0 HDADLO Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000559722776 1075522309 /nfs/dbraw/zinc/52/23/09/1075522309.db2.gz YEUDIFXZUKOJQM-CVEARBPZSA-N 1 2 422.892 2.195 20 0 HDADLO O=C(c1coc(C2CCCC2)n1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000509409333 1075527646 /nfs/dbraw/zinc/52/76/46/1075527646.db2.gz FCGSTZFKOSSSOU-UHFFFAOYSA-N 1 2 412.494 1.921 20 0 HDADLO O=C(c1coc(C2CCCC2)n1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000509409333 1075527651 /nfs/dbraw/zinc/52/76/51/1075527651.db2.gz FCGSTZFKOSSSOU-UHFFFAOYSA-N 1 2 412.494 1.921 20 0 HDADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000676351977 1075528452 /nfs/dbraw/zinc/52/84/52/1075528452.db2.gz BYVQTLVEUOAHGG-GFCCVEGCSA-N 1 2 402.473 1.420 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC(CNS(C)(=O)=O)CC3)c2)cc[nH+]1 ZINC000553220923 1075535376 /nfs/dbraw/zinc/53/53/76/1075535376.db2.gz CBWKKBSXAAJACU-UHFFFAOYSA-N 1 2 417.535 1.799 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[C@@H]3NS(C)(=O)=O)c2)cc[nH+]1 ZINC000544555145 1075538817 /nfs/dbraw/zinc/53/88/17/1075538817.db2.gz MWTGYMPOQPFPDB-ROUUACIJSA-N 1 2 417.535 1.845 20 0 HDADLO O=C(NCCc1[nH]cc[nH+]1)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000731863609 1075542558 /nfs/dbraw/zinc/54/25/58/1075542558.db2.gz XYUOLXWYGFRRCQ-UHFFFAOYSA-N 1 2 413.297 1.585 20 0 HDADLO CSCC[C@H](NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)C(=O)N(C)C ZINC000588801097 1075551807 /nfs/dbraw/zinc/55/18/07/1075551807.db2.gz CORIUADCCKTYSI-KRWDZBQOSA-N 1 2 401.536 2.337 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000509413461 1075555274 /nfs/dbraw/zinc/55/52/74/1075555274.db2.gz CPUGBCWHKMHYIM-QFIPXVFZSA-N 1 2 424.545 1.482 20 0 HDADLO CC[NH+](CC)[C@H](C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000731907541 1075565475 /nfs/dbraw/zinc/56/54/75/1075565475.db2.gz JEZDVUHKBUULSZ-IBGZPJMESA-N 1 2 419.503 1.899 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H]([NH+]2CCC(c3ccnn3CCO)CC2)C1=O ZINC000466733881 1075569791 /nfs/dbraw/zinc/56/97/91/1075569791.db2.gz FCUGFZOLILZAHB-QGZVFWFLSA-N 1 2 418.519 1.708 20 0 HDADLO Cc1ccc(NC(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000731974008 1075581300 /nfs/dbraw/zinc/58/13/00/1075581300.db2.gz SICYSTKDLVPUPA-GOSISDBHSA-N 1 2 403.479 1.190 20 0 HDADLO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CCO2 ZINC000676528905 1075582119 /nfs/dbraw/zinc/58/21/19/1075582119.db2.gz BCQQBGDQXWOYLI-GOSISDBHSA-N 1 2 419.522 1.594 20 0 HDADLO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CCO2 ZINC000676528905 1075582126 /nfs/dbraw/zinc/58/21/26/1075582126.db2.gz BCQQBGDQXWOYLI-GOSISDBHSA-N 1 2 419.522 1.594 20 0 HDADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1Cl ZINC000448531399 1075585373 /nfs/dbraw/zinc/58/53/73/1075585373.db2.gz IEMHMHUXJBJUEL-CQSZACIVSA-N 1 2 405.886 1.685 20 0 HDADLO CCOC(=O)Nc1ccc(OC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000731991461 1075587518 /nfs/dbraw/zinc/58/75/18/1075587518.db2.gz QRLWIEYBQBUIQA-SFHVURJKSA-N 1 2 419.478 1.874 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000676556391 1075588369 /nfs/dbraw/zinc/58/83/69/1075588369.db2.gz PQBQYVWNRMYMDI-UHFFFAOYSA-N 1 2 419.432 1.288 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCc2sccc2C1 ZINC000676549917 1075597195 /nfs/dbraw/zinc/59/71/95/1075597195.db2.gz FBZOGXUIYBITHM-UHFFFAOYSA-N 1 2 403.508 1.190 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(SC)c1 ZINC000509426031 1075613320 /nfs/dbraw/zinc/61/33/20/1075613320.db2.gz PBNRUNAPPLPKJG-OAHLLOKOSA-N 1 2 420.622 1.928 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676640586 1075629895 /nfs/dbraw/zinc/62/98/95/1075629895.db2.gz KOIUYVRYPGDMQR-AWEZNQCLSA-N 1 2 402.474 1.566 20 0 HDADLO CON(C)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000732127573 1075630709 /nfs/dbraw/zinc/63/07/09/1075630709.db2.gz KZCHIFROGQIUKR-QGZVFWFLSA-N 1 2 411.524 1.195 20 0 HDADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000732149179 1075650300 /nfs/dbraw/zinc/65/03/00/1075650300.db2.gz MZNHGRWKEUIXEP-RQIDZSJNSA-N 1 2 415.534 1.544 20 0 HDADLO CCOC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000509431355 1075652037 /nfs/dbraw/zinc/65/20/37/1075652037.db2.gz NHCUAHHONMJJHK-AWEZNQCLSA-N 1 2 400.497 1.119 20 0 HDADLO CC(=O)N[C@H]1Cc2ccccc2N(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000676720436 1075666395 /nfs/dbraw/zinc/66/63/95/1075666395.db2.gz RFEIVRBTUCDKFP-IBGZPJMESA-N 1 2 412.559 1.960 20 0 HDADLO CCCCNc1cc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(N)[nH+]1 ZINC000563643414 1075691936 /nfs/dbraw/zinc/69/19/36/1075691936.db2.gz UYTJDBOELSUNEK-UHFFFAOYSA-N 1 2 404.540 2.089 20 0 HDADLO CCCCNc1cc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)[nH+]c(N)n1 ZINC000563643414 1075691940 /nfs/dbraw/zinc/69/19/40/1075691940.db2.gz UYTJDBOELSUNEK-UHFFFAOYSA-N 1 2 404.540 2.089 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@H+](Cc3nnc4n3CCCCC4)[C@H]2C1 ZINC001084993078 1075699296 /nfs/dbraw/zinc/69/92/96/1075699296.db2.gz KOVDWPQLSOPFRZ-SYLSBIHOSA-N 1 2 411.550 1.851 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)[C@H]2C1 ZINC001084993078 1075699298 /nfs/dbraw/zinc/69/92/98/1075699298.db2.gz KOVDWPQLSOPFRZ-SYLSBIHOSA-N 1 2 411.550 1.851 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21 ZINC001084993085 1075699320 /nfs/dbraw/zinc/69/93/20/1075699320.db2.gz KXJXJFYIXAUFPO-IVQUFEJHSA-N 1 2 413.522 1.311 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21 ZINC001084993085 1075699322 /nfs/dbraw/zinc/69/93/22/1075699322.db2.gz KXJXJFYIXAUFPO-IVQUFEJHSA-N 1 2 413.522 1.311 20 0 HDADLO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nnc4ccccc4c3O)CC2)CC1 ZINC000732290313 1075700447 /nfs/dbraw/zinc/70/04/47/1075700447.db2.gz NMANOZDIHJLJAR-UHFFFAOYSA-N 1 2 411.506 1.742 20 0 HDADLO C[C@@H]([NH2+][C@H](C)c1ccon1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543585073 1075705318 /nfs/dbraw/zinc/70/53/18/1075705318.db2.gz GJLYJMXOJKHKEW-ZIAGYGMSSA-N 1 2 408.480 1.373 20 0 HDADLO C[C@H](C(=O)N[C@H]1CCc2nc(N)sc2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000565650335 1075709765 /nfs/dbraw/zinc/70/97/65/1075709765.db2.gz WFHMKFLVPUDADC-HIFRSBDPSA-N 1 2 403.527 2.049 20 0 HDADLO C[C@H](c1cccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)c1)[NH+]1CCOCC1 ZINC000485015844 1075716033 /nfs/dbraw/zinc/71/60/33/1075716033.db2.gz UXAPRGAKMPYLPS-CQSZACIVSA-N 1 2 417.539 1.868 20 0 HDADLO CC[NH+](CC)[C@H](C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000732351275 1075719900 /nfs/dbraw/zinc/71/99/00/1075719900.db2.gz ZLXYSXLOUQDLIT-FQEVSTJZSA-N 1 2 401.507 1.694 20 0 HDADLO CC(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC12CCCCC2 ZINC000499869267 1075719973 /nfs/dbraw/zinc/71/99/73/1075719973.db2.gz JKUVVDWIDMJQAF-UHFFFAOYSA-N 1 2 418.542 1.614 20 0 HDADLO CCCNC(=O)CCC(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000732352616 1075720292 /nfs/dbraw/zinc/72/02/92/1075720292.db2.gz OAJTYCDPKHMNMP-UHFFFAOYSA-N 1 2 419.526 1.407 20 0 HDADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000553799781 1075722913 /nfs/dbraw/zinc/72/29/13/1075722913.db2.gz RCZFSFLYIWBDQX-ZBFHGGJFSA-N 1 2 415.460 2.407 20 0 HDADLO Nc1nccc([C@H]2CCC[N@H+](CC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000558740732 1075726397 /nfs/dbraw/zinc/72/63/97/1075726397.db2.gz CZERPNCCOPYBDN-ATFGOMPUSA-N 1 2 412.538 2.033 20 0 HDADLO Nc1nccc([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000558740732 1075726403 /nfs/dbraw/zinc/72/64/03/1075726403.db2.gz CZERPNCCOPYBDN-ATFGOMPUSA-N 1 2 412.538 2.033 20 0 HDADLO C[C@@H](C(=O)OCC(=O)NCC(=O)N1CCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397650 1075727539 /nfs/dbraw/zinc/72/75/39/1075727539.db2.gz VVIVGSLSKGRQKU-SFHVURJKSA-N 1 2 415.534 1.611 20 0 HDADLO C[C@@H](C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397579 1075727601 /nfs/dbraw/zinc/72/76/01/1075727601.db2.gz SOEGWAHJTFBNCW-PXNSSMCTSA-N 1 2 415.534 1.739 20 0 HDADLO CC(=O)N[C@H](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(F)cc1F ZINC000525576247 1075735744 /nfs/dbraw/zinc/73/57/44/1075735744.db2.gz VENWZKIVEXGUGW-GOSISDBHSA-N 1 2 421.448 1.700 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cnnc(C)c3)cc2)CC1 ZINC000467001082 1075739487 /nfs/dbraw/zinc/73/94/87/1075739487.db2.gz WGICQRWNGYBTBF-UHFFFAOYSA-N 1 2 411.506 1.300 20 0 HDADLO Cn1nc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1OC(F)F ZINC000566389518 1075740087 /nfs/dbraw/zinc/74/00/87/1075740087.db2.gz AULBSKNSCVGQDE-ZDUSSCGKSA-N 1 2 410.425 1.991 20 0 HDADLO Cn1nc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1OC(F)F ZINC000566389518 1075740090 /nfs/dbraw/zinc/74/00/90/1075740090.db2.gz AULBSKNSCVGQDE-ZDUSSCGKSA-N 1 2 410.425 1.991 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCCC[C@@H]1CN1CCCC1=O ZINC000732453641 1075742519 /nfs/dbraw/zinc/74/25/19/1075742519.db2.gz ZQRFVKYGHCLVSD-XLIONFOSSA-N 1 2 410.584 1.381 20 0 HDADLO COC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(F)c1 ZINC000732433751 1075744213 /nfs/dbraw/zinc/74/42/13/1075744213.db2.gz UIGCFEDFYIHQLD-UHFFFAOYSA-N 1 2 401.460 1.243 20 0 HDADLO CCOC(=O)N[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732476769 1075757237 /nfs/dbraw/zinc/75/72/37/1075757237.db2.gz VXFHBHPBPUHFGO-VQTJNVASSA-N 1 2 418.538 1.850 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000491597916 1075760560 /nfs/dbraw/zinc/76/05/60/1075760560.db2.gz AGSLMECOOAGPMH-UHFFFAOYSA-N 1 2 401.858 1.664 20 0 HDADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000462560346 1075782885 /nfs/dbraw/zinc/78/28/85/1075782885.db2.gz UITISZYIINWTFU-YWZLYKJASA-N 1 2 412.465 2.568 20 0 HDADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000561654864 1075782927 /nfs/dbraw/zinc/78/29/27/1075782927.db2.gz HRMYHXHQQFRWLG-INIZCTEOSA-N 1 2 404.474 2.331 20 0 HDADLO Cc1nc(N(C)C)nc(NCC[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[nH+]1 ZINC001063305929 1075785193 /nfs/dbraw/zinc/78/51/93/1075785193.db2.gz LGNGAWMWXBGVSG-ZXXIGWHRSA-N 1 2 400.527 1.710 20 0 HDADLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448494602 1075788872 /nfs/dbraw/zinc/78/88/72/1075788872.db2.gz GMXODTHVPYOGNJ-CQSZACIVSA-N 1 2 421.448 1.652 20 0 HDADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000544565997 1075797343 /nfs/dbraw/zinc/79/73/43/1075797343.db2.gz QXHNNHQUUPUJPK-UONOGXRCSA-N 1 2 408.480 1.373 20 0 HDADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000581579221 1075803880 /nfs/dbraw/zinc/80/38/80/1075803880.db2.gz MWRSKHJCLHXYIY-INIZCTEOSA-N 1 2 424.461 2.241 20 0 HDADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000581579221 1075803884 /nfs/dbraw/zinc/80/38/84/1075803884.db2.gz MWRSKHJCLHXYIY-INIZCTEOSA-N 1 2 424.461 2.241 20 0 HDADLO CCc1cccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1CC ZINC000487833419 1075804732 /nfs/dbraw/zinc/80/47/32/1075804732.db2.gz IEYWLKQNCVYEBB-UHFFFAOYSA-N 1 2 421.505 1.775 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658453 1075818537 /nfs/dbraw/zinc/81/85/37/1075818537.db2.gz CGHILHPIVBXMOX-KRWDZBQOSA-N 1 2 415.462 1.083 20 0 HDADLO CCOC(=O)CC[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000611062013 1075822318 /nfs/dbraw/zinc/82/23/18/1075822318.db2.gz SBDOUAWGATXUNY-YLJYHZDGSA-N 1 2 413.584 1.959 20 0 HDADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)CC2 ZINC000030674605 1075823477 /nfs/dbraw/zinc/82/34/77/1075823477.db2.gz NXMCXCQNEWVPEU-UHFFFAOYSA-N 1 2 411.502 1.966 20 0 HDADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)CC2 ZINC000030674605 1075823480 /nfs/dbraw/zinc/82/34/80/1075823480.db2.gz NXMCXCQNEWVPEU-UHFFFAOYSA-N 1 2 411.502 1.966 20 0 HDADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)[NH+]1CCOCC1 ZINC000532339729 1075828137 /nfs/dbraw/zinc/82/81/37/1075828137.db2.gz ZJYYIPPFJCIKPO-IBGZPJMESA-N 1 2 413.522 1.733 20 0 HDADLO O=C(NCCCCn1cc[nH+]c1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000732675748 1075830409 /nfs/dbraw/zinc/83/04/09/1075830409.db2.gz GDDAIYXTPJPNCY-UHFFFAOYSA-N 1 2 411.450 1.524 20 0 HDADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cccc(CNc4ccncn4)c3)cc2C1 ZINC000447680843 1075834708 /nfs/dbraw/zinc/83/47/08/1075834708.db2.gz SMPMLYNYJCQKTI-UHFFFAOYSA-N 1 2 416.485 2.184 20 0 HDADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cccc(CNc4ccncn4)c3)cc2C1 ZINC000447680843 1075834714 /nfs/dbraw/zinc/83/47/14/1075834714.db2.gz SMPMLYNYJCQKTI-UHFFFAOYSA-N 1 2 416.485 2.184 20 0 HDADLO CC(C)CSCCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000611131221 1075847793 /nfs/dbraw/zinc/84/77/93/1075847793.db2.gz BGUXKDUSDFMVLB-UHFFFAOYSA-N 1 2 420.579 1.908 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732807009 1075863395 /nfs/dbraw/zinc/86/33/95/1075863395.db2.gz DYLVZTPHWVGVFB-SFHVURJKSA-N 1 2 400.523 1.781 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732807009 1075863400 /nfs/dbraw/zinc/86/34/00/1075863400.db2.gz DYLVZTPHWVGVFB-SFHVURJKSA-N 1 2 400.523 1.781 20 0 HDADLO O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000497582752 1075867214 /nfs/dbraw/zinc/86/72/14/1075867214.db2.gz QFLALHKQBPOBIQ-UHFFFAOYSA-N 1 2 400.348 1.758 20 0 HDADLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732786334 1075868828 /nfs/dbraw/zinc/86/88/28/1075868828.db2.gz KNUHSBRUDFAQIV-CQSZACIVSA-N 1 2 401.433 1.254 20 0 HDADLO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000732812127 1075873768 /nfs/dbraw/zinc/87/37/68/1075873768.db2.gz BKFILZQHSQRBRD-JSGCOSHPSA-N 1 2 417.428 1.804 20 0 HDADLO COc1ccc(CNC(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000732812127 1075873770 /nfs/dbraw/zinc/87/37/70/1075873770.db2.gz BKFILZQHSQRBRD-JSGCOSHPSA-N 1 2 417.428 1.804 20 0 HDADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732813837 1075875800 /nfs/dbraw/zinc/87/58/00/1075875800.db2.gz PDMIPEVGWKPWOS-GXTWGEPZSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732813837 1075875806 /nfs/dbraw/zinc/87/58/06/1075875806.db2.gz PDMIPEVGWKPWOS-GXTWGEPZSA-N 1 2 407.433 1.272 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)Nn1cnc2ccccc21 ZINC000732914398 1075910793 /nfs/dbraw/zinc/91/07/93/1075910793.db2.gz MIBBOLRJEYDNCR-INIZCTEOSA-N 1 2 422.493 1.585 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)Nn1cnc2ccccc21 ZINC000732914398 1075910797 /nfs/dbraw/zinc/91/07/97/1075910797.db2.gz MIBBOLRJEYDNCR-INIZCTEOSA-N 1 2 422.493 1.585 20 0 HDADLO C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915202 1075912198 /nfs/dbraw/zinc/91/21/98/1075912198.db2.gz YLZYESVJVANFFW-IAGOWNOFSA-N 1 2 414.510 1.805 20 0 HDADLO C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915202 1075912199 /nfs/dbraw/zinc/91/21/99/1075912199.db2.gz YLZYESVJVANFFW-IAGOWNOFSA-N 1 2 414.510 1.805 20 0 HDADLO CCCCCCOCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916434 1075912810 /nfs/dbraw/zinc/91/28/10/1075912810.db2.gz QVTGREIKUSBZFC-SFHVURJKSA-N 1 2 405.543 1.995 20 0 HDADLO CCCCCCOCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916434 1075912814 /nfs/dbraw/zinc/91/28/14/1075912814.db2.gz QVTGREIKUSBZFC-SFHVURJKSA-N 1 2 405.543 1.995 20 0 HDADLO O=C(/C=C\c1cncc(F)c1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916691 1075912822 /nfs/dbraw/zinc/91/28/22/1075912822.db2.gz SFLHIIGZQVDNMP-JXCVUKRWSA-N 1 2 412.469 1.646 20 0 HDADLO O=C(/C=C\c1cncc(F)c1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916691 1075912828 /nfs/dbraw/zinc/91/28/28/1075912828.db2.gz SFLHIIGZQVDNMP-JXCVUKRWSA-N 1 2 412.469 1.646 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc2c(c1)CCO2 ZINC000732916015 1075913315 /nfs/dbraw/zinc/91/33/15/1075913315.db2.gz OKEBCEVAGXAWLH-GOSISDBHSA-N 1 2 409.490 1.647 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2c(c1)CCO2 ZINC000732916015 1075913318 /nfs/dbraw/zinc/91/33/18/1075913318.db2.gz OKEBCEVAGXAWLH-GOSISDBHSA-N 1 2 409.490 1.647 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc([S@](C)=O)c(F)c3)[nH+]c12 ZINC000611362113 1075918835 /nfs/dbraw/zinc/91/88/35/1075918835.db2.gz ITNUXHXLXRBHPI-NDEPHWFRSA-N 1 2 402.451 1.817 20 0 HDADLO CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1C ZINC000611361786 1075919231 /nfs/dbraw/zinc/91/92/31/1075919231.db2.gz QRBPKJBDDYMVGM-KRWDZBQOSA-N 1 2 423.473 1.974 20 0 HDADLO O=S(=O)(C(F)F)N1CCC(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000732983583 1075937416 /nfs/dbraw/zinc/93/74/16/1075937416.db2.gz GQDOUWIUVMSJSN-AWEZNQCLSA-N 1 2 419.498 1.362 20 0 HDADLO O=S(=O)(C(F)F)N1CCC(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000732983583 1075937419 /nfs/dbraw/zinc/93/74/19/1075937419.db2.gz GQDOUWIUVMSJSN-AWEZNQCLSA-N 1 2 419.498 1.362 20 0 HDADLO CC(C)OC(=O)N1CCC(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000732996752 1075943299 /nfs/dbraw/zinc/94/32/99/1075943299.db2.gz OGRBXMBZIWBMRD-LJQANCHMSA-N 1 2 414.572 1.503 20 0 HDADLO CCOC(=O)c1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)o1 ZINC000611480043 1075945194 /nfs/dbraw/zinc/94/51/94/1075945194.db2.gz GKMLHMWRKVFIHV-UHFFFAOYSA-N 1 2 408.480 1.545 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000733045937 1075953488 /nfs/dbraw/zinc/95/34/88/1075953488.db2.gz WFNZPICATLWDHV-ZDUSSCGKSA-N 1 2 405.471 1.563 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000733045551 1075964722 /nfs/dbraw/zinc/96/47/22/1075964722.db2.gz NJLVNXGRVLCUDJ-CQSZACIVSA-N 1 2 405.471 1.494 20 0 HDADLO CN(C)c1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc(Cl)n1 ZINC000733128814 1075979296 /nfs/dbraw/zinc/97/92/96/1075979296.db2.gz SHYJNYBHQBYDMF-UHFFFAOYSA-N 1 2 400.874 1.440 20 0 HDADLO CCCn1c(N)c(C(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c(=O)[nH]c1=O ZINC000492627226 1075988137 /nfs/dbraw/zinc/98/81/37/1075988137.db2.gz JZOGQSAUVGCTBQ-UHFFFAOYSA-N 1 2 418.519 1.749 20 0 HDADLO CC(C)C(=O)Nc1cccc(OC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000733172047 1076001487 /nfs/dbraw/zinc/00/14/87/1076001487.db2.gz MLEYVTPIZDWLHZ-MRXNPFEDSA-N 1 2 403.479 1.367 20 0 HDADLO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001081102025 1076002155 /nfs/dbraw/zinc/00/21/55/1076002155.db2.gz YYDSEYBOYLXDRP-NVWIJCSXSA-N 1 2 400.523 1.771 20 0 HDADLO CO[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001081958391 1076018878 /nfs/dbraw/zinc/01/88/78/1076018878.db2.gz LGZUTTYYWKUHRJ-DTZRRZKCSA-N 1 2 402.495 1.190 20 0 HDADLO CO[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001081958391 1076018884 /nfs/dbraw/zinc/01/88/84/1076018884.db2.gz LGZUTTYYWKUHRJ-DTZRRZKCSA-N 1 2 402.495 1.190 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)NCCc2ccc(I)s2)CCO1 ZINC000727034425 1076029469 /nfs/dbraw/zinc/02/94/69/1076029469.db2.gz MNFJOYOCONKRSB-NSHDSACASA-N 1 2 423.320 1.915 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)NCCc2ccc(I)s2)CCO1 ZINC000727034425 1076029476 /nfs/dbraw/zinc/02/94/76/1076029476.db2.gz MNFJOYOCONKRSB-NSHDSACASA-N 1 2 423.320 1.915 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000733296274 1076042148 /nfs/dbraw/zinc/04/21/48/1076042148.db2.gz KIIJFYCEJNXYLH-HNNXBMFYSA-N 1 2 400.277 1.197 20 0 HDADLO CC(C)(C)S(=O)(=O)CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000733341116 1076046550 /nfs/dbraw/zinc/04/65/50/1076046550.db2.gz MFYXIFKREAIYIP-UHFFFAOYSA-N 1 2 410.584 1.711 20 0 HDADLO CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000727153461 1076053820 /nfs/dbraw/zinc/05/38/20/1076053820.db2.gz LQDPLZVOSLATQL-INIZCTEOSA-N 1 2 419.526 1.540 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000727158231 1076071356 /nfs/dbraw/zinc/07/13/56/1076071356.db2.gz IMEBIWZGZPRVFY-FZKQIMNGSA-N 1 2 404.467 1.428 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000727158231 1076071363 /nfs/dbraw/zinc/07/13/63/1076071363.db2.gz IMEBIWZGZPRVFY-FZKQIMNGSA-N 1 2 404.467 1.428 20 0 HDADLO CCC[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000727227001 1076084669 /nfs/dbraw/zinc/08/46/69/1076084669.db2.gz KWDMYRGICWYNRU-DOTOQJQBSA-N 1 2 408.568 1.821 20 0 HDADLO CCC[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000727227001 1076084675 /nfs/dbraw/zinc/08/46/75/1076084675.db2.gz KWDMYRGICWYNRU-DOTOQJQBSA-N 1 2 408.568 1.821 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)c3ncoc3C)CC2)cc1OC ZINC000733525695 1076094765 /nfs/dbraw/zinc/09/47/65/1076094765.db2.gz SRUZAHMBKHTJFQ-UHFFFAOYSA-N 1 2 417.462 1.810 20 0 HDADLO O=C(COC[C@H]1CCCO1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000733597728 1076122784 /nfs/dbraw/zinc/12/27/84/1076122784.db2.gz RPHNNXXRIYPUGT-LJQANCHMSA-N 1 2 418.490 1.005 20 0 HDADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000727447092 1076124678 /nfs/dbraw/zinc/12/46/78/1076124678.db2.gz PRNJZLIMZSEUDN-DHZHZOJOSA-N 1 2 416.341 1.550 20 0 HDADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000727493155 1076137430 /nfs/dbraw/zinc/13/74/30/1076137430.db2.gz HMSLQHGYOYDGOP-OAHLLOKOSA-N 1 2 410.496 1.342 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)CCO1 ZINC000727603218 1076177218 /nfs/dbraw/zinc/17/72/18/1076177218.db2.gz HJQSLXGIZNGIGV-GJZGRUSLSA-N 1 2 419.444 1.807 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C[C@H](O)COc2ccccc2C(F)(F)F)CCO1 ZINC000727603218 1076177221 /nfs/dbraw/zinc/17/72/21/1076177221.db2.gz HJQSLXGIZNGIGV-GJZGRUSLSA-N 1 2 419.444 1.807 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2[nH]c1=S ZINC000733884648 1076239251 /nfs/dbraw/zinc/23/92/51/1076239251.db2.gz ZLOCZLSNIHWNSP-CQSZACIVSA-N 1 2 404.536 1.745 20 0 HDADLO CCCn1c(C[N@@H+]2CCCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000534463301 1076247435 /nfs/dbraw/zinc/24/74/35/1076247435.db2.gz FQFVEWDGDLXDGH-UHFFFAOYSA-N 1 2 422.551 1.690 20 0 HDADLO CCCn1c(C[N@H+]2CCCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000534463301 1076247437 /nfs/dbraw/zinc/24/74/37/1076247437.db2.gz FQFVEWDGDLXDGH-UHFFFAOYSA-N 1 2 422.551 1.690 20 0 HDADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000534480164 1076247586 /nfs/dbraw/zinc/24/75/86/1076247586.db2.gz MNGUFBVOYFHSTQ-FUHIMQAGSA-N 1 2 424.973 1.366 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1C ZINC000534539409 1076247816 /nfs/dbraw/zinc/24/78/16/1076247816.db2.gz KOAXEJJIUUVIBO-GOSISDBHSA-N 1 2 416.503 1.192 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1C ZINC000534539409 1076247818 /nfs/dbraw/zinc/24/78/18/1076247818.db2.gz KOAXEJJIUUVIBO-GOSISDBHSA-N 1 2 416.503 1.192 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535277405 1076251353 /nfs/dbraw/zinc/25/13/53/1076251353.db2.gz PUNBVGSSGRREJW-GOSISDBHSA-N 1 2 416.503 1.178 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535277405 1076251356 /nfs/dbraw/zinc/25/13/56/1076251356.db2.gz PUNBVGSSGRREJW-GOSISDBHSA-N 1 2 416.503 1.178 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535275752 1076251413 /nfs/dbraw/zinc/25/14/13/1076251413.db2.gz GKQAHBLSBCMZCQ-GOSISDBHSA-N 1 2 416.503 1.690 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535275752 1076251418 /nfs/dbraw/zinc/25/14/18/1076251418.db2.gz GKQAHBLSBCMZCQ-GOSISDBHSA-N 1 2 416.503 1.690 20 0 HDADLO O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000144173114 1076253811 /nfs/dbraw/zinc/25/38/11/1076253811.db2.gz PCVUJWJQEDQKNH-GOSISDBHSA-N 1 2 400.523 1.796 20 0 HDADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1F ZINC000536030896 1076253968 /nfs/dbraw/zinc/25/39/68/1076253968.db2.gz PQQRUAYJPJRZIC-QGZVFWFLSA-N 1 2 409.425 1.351 20 0 HDADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1F ZINC000536030896 1076253971 /nfs/dbraw/zinc/25/39/71/1076253971.db2.gz PQQRUAYJPJRZIC-QGZVFWFLSA-N 1 2 409.425 1.351 20 0 HDADLO O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000144306725 1076255882 /nfs/dbraw/zinc/25/58/82/1076255882.db2.gz VBCPDPDDLIDJQR-UHFFFAOYSA-N 1 2 413.434 1.366 20 0 HDADLO O=C(OCc1ccccc1)N1CC(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000733899473 1076259258 /nfs/dbraw/zinc/25/92/58/1076259258.db2.gz FIDGFBHRQBYDHF-UHFFFAOYSA-N 1 2 416.503 1.554 20 0 HDADLO O=C(C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@H]2C1)N1CCCCCC1 ZINC001083088021 1076288023 /nfs/dbraw/zinc/28/80/23/1076288023.db2.gz ONWTZAPKHKTBFH-VIYGXFRKSA-N 1 2 401.551 1.903 20 0 HDADLO O=C(C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@H]2C1)N1CCCCCC1 ZINC001083088021 1076288028 /nfs/dbraw/zinc/28/80/28/1076288028.db2.gz ONWTZAPKHKTBFH-VIYGXFRKSA-N 1 2 401.551 1.903 20 0 HDADLO O=C(C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1)N1CCCCCCC1 ZINC001083149062 1076308197 /nfs/dbraw/zinc/30/81/97/1076308197.db2.gz WSPVDYMVVKTOSV-VZZKTHKOSA-N 1 2 417.550 1.114 20 0 HDADLO O=C(C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1)N1CCCCCCC1 ZINC001083149062 1076308201 /nfs/dbraw/zinc/30/82/01/1076308201.db2.gz WSPVDYMVVKTOSV-VZZKTHKOSA-N 1 2 417.550 1.114 20 0 HDADLO CO[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000728056573 1076322977 /nfs/dbraw/zinc/32/29/77/1076322977.db2.gz WORQULVPIGEDHQ-KRWDZBQOSA-N 1 2 422.551 1.987 20 0 HDADLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000728056573 1076322981 /nfs/dbraw/zinc/32/29/81/1076322981.db2.gz WORQULVPIGEDHQ-KRWDZBQOSA-N 1 2 422.551 1.987 20 0 HDADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000728056451 1076323351 /nfs/dbraw/zinc/32/33/51/1076323351.db2.gz WBGIVWWSUSARGN-CYBMUJFWSA-N 1 2 410.396 1.705 20 0 HDADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000728056451 1076323354 /nfs/dbraw/zinc/32/33/54/1076323354.db2.gz WBGIVWWSUSARGN-CYBMUJFWSA-N 1 2 410.396 1.705 20 0 HDADLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728139937 1076341086 /nfs/dbraw/zinc/34/10/86/1076341086.db2.gz TXKRPWRNJMVHSP-UHFFFAOYSA-N 1 2 401.442 1.614 20 0 HDADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@@]4(O)CCSC4)CC3)n2)cc1 ZINC000497922112 1076353309 /nfs/dbraw/zinc/35/33/09/1076353309.db2.gz MTDHVWVGKJTMPN-OAQYLSRUSA-N 1 2 416.547 1.990 20 0 HDADLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000027565034 1076360141 /nfs/dbraw/zinc/36/01/41/1076360141.db2.gz XCQFUYSPZCIMLT-UHFFFAOYSA-N 1 2 404.511 1.427 20 0 HDADLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000027565034 1076360148 /nfs/dbraw/zinc/36/01/48/1076360148.db2.gz XCQFUYSPZCIMLT-UHFFFAOYSA-N 1 2 404.511 1.427 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@@H]1C1OCCO1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000728172288 1076364619 /nfs/dbraw/zinc/36/46/19/1076364619.db2.gz AEBBWFXVTVCVCA-LJQANCHMSA-N 1 2 407.555 1.901 20 0 HDADLO O=C(C[N@H+]1CCCC[C@@H]1C1OCCO1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000728172288 1076364621 /nfs/dbraw/zinc/36/46/21/1076364621.db2.gz AEBBWFXVTVCVCA-LJQANCHMSA-N 1 2 407.555 1.901 20 0 HDADLO CNC(=O)C1(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC000730045209 1076420001 /nfs/dbraw/zinc/42/00/01/1076420001.db2.gz GXUOPQNHUKEUBT-UHFFFAOYSA-N 1 2 417.510 1.017 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000730096310 1076450093 /nfs/dbraw/zinc/45/00/93/1076450093.db2.gz MLOOMKASCDXWLP-UHFFFAOYSA-N 1 2 404.474 1.982 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000730130193 1076459578 /nfs/dbraw/zinc/45/95/78/1076459578.db2.gz HZZLQPYRXAVBTG-GFCCVEGCSA-N 1 2 413.316 1.978 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000730228722 1076485656 /nfs/dbraw/zinc/48/56/56/1076485656.db2.gz WKDRNIGWZKHOLR-SWEXZPIWSA-N 1 2 421.505 1.683 20 0 HDADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cccc(OCC)n3)CC2)CC1 ZINC000730266727 1076507930 /nfs/dbraw/zinc/50/79/30/1076507930.db2.gz USDSLWQADRSFHK-QGZVFWFLSA-N 1 2 419.526 1.292 20 0 HDADLO CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000730314054 1076528182 /nfs/dbraw/zinc/52/81/82/1076528182.db2.gz ZGMUYHSKFVIDRA-QGZVFWFLSA-N 1 2 421.519 1.312 20 0 HDADLO CCCN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000730542484 1076595852 /nfs/dbraw/zinc/59/58/52/1076595852.db2.gz WJVJCMREPGSRGC-GOSISDBHSA-N 1 2 408.506 1.974 20 0 HDADLO CCCN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000730542484 1076595860 /nfs/dbraw/zinc/59/58/60/1076595860.db2.gz WJVJCMREPGSRGC-GOSISDBHSA-N 1 2 408.506 1.974 20 0 HDADLO CCn1cc(N2C(=O)C[C@H]([NH+]3CCC(N(C)C(=O)OC(C)(C)C)CC3)C2=O)cn1 ZINC000730575108 1076607703 /nfs/dbraw/zinc/60/77/03/1076607703.db2.gz JAZJLBFOGBYYJJ-INIZCTEOSA-N 1 2 405.499 1.866 20 0 HDADLO CCOC(=O)N[C@@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000730664333 1076633825 /nfs/dbraw/zinc/63/38/25/1076633825.db2.gz GALJIBCMOJJBSR-MRXNPFEDSA-N 1 2 417.510 1.817 20 0 HDADLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)C1 ZINC000731215020 1076748846 /nfs/dbraw/zinc/74/88/46/1076748846.db2.gz ZZHQSAXDWQLLHP-HKUYNNGSSA-N 1 2 402.539 1.363 20 0 HDADLO CCOC(=O)c1cnn(C[N@@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1C(F)F ZINC000731204632 1076754192 /nfs/dbraw/zinc/75/41/92/1076754192.db2.gz NTWXEIVTBBUSKY-STQMWFEESA-N 1 2 402.442 1.818 20 0 HDADLO CCOC(=O)c1cnn(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1C(F)F ZINC000731204632 1076754196 /nfs/dbraw/zinc/75/41/96/1076754196.db2.gz NTWXEIVTBBUSKY-STQMWFEESA-N 1 2 402.442 1.818 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc4c3C(=O)OC4(C)C)CC2)C1=O ZINC001164634749 719272175 /nfs/dbraw/zinc/27/21/75/719272175.db2.gz NRYSKULBQJVQRI-UHFFFAOYSA-N 1 2 402.495 1.247 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc4c3C(=O)OC4(C)C)CC2)C1=O ZINC001164634749 719272181 /nfs/dbraw/zinc/27/21/81/719272181.db2.gz NRYSKULBQJVQRI-UHFFFAOYSA-N 1 2 402.495 1.247 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(SC)nc4c3CCCC4)CC2)C1=O ZINC001164633969 719273424 /nfs/dbraw/zinc/27/34/24/719273424.db2.gz KHPWFUQTLDIDLP-UHFFFAOYSA-N 1 2 419.595 1.837 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(SC)nc4c3CCCC4)CC2)C1=O ZINC001164633969 719273426 /nfs/dbraw/zinc/27/34/26/719273426.db2.gz KHPWFUQTLDIDLP-UHFFFAOYSA-N 1 2 419.595 1.837 20 0 HDADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(C)C[C@@H](O)CO)c2c1C ZINC001164667972 719366160 /nfs/dbraw/zinc/36/61/60/719366160.db2.gz MGWAENHCPXZKQJ-CQSZACIVSA-N 1 2 422.551 1.952 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(CN2CCOCC2)cn1 ZINC001164703270 719841352 /nfs/dbraw/zinc/84/13/52/719841352.db2.gz PRCFMNYJMVEXOP-DENIHFKCSA-N 1 2 418.538 1.147 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCC2)nc(C)n1 ZINC001164705285 719841891 /nfs/dbraw/zinc/84/18/91/719841891.db2.gz USJHSYWSOJGZCQ-UWJYYQICSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccncc21 ZINC001164699402 719843167 /nfs/dbraw/zinc/84/31/67/719843167.db2.gz IHUGPJJESISYHR-YJYMSZOUSA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cc1OC ZINC001164697312 719843275 /nfs/dbraw/zinc/84/32/75/719843275.db2.gz CMFBOJNDLDMQNP-XOBRGWDASA-N 1 2 407.467 1.110 20 0 HDADLO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707152 719848265 /nfs/dbraw/zinc/84/82/65/719848265.db2.gz ZOJTWBZEONJIEA-FOIQADDNSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)c1cc(OC)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703930 719848785 /nfs/dbraw/zinc/84/87/85/719848785.db2.gz RFYCNCHYVSTOQB-XOBRGWDASA-N 1 2 407.467 1.110 20 0 HDADLO COC(=O)c1cc(F)c(C)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703149 719854634 /nfs/dbraw/zinc/85/46/34/719854634.db2.gz PCJRSCXXXIFIPW-XOBRGWDASA-N 1 2 409.458 1.548 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(=O)n(C)c2n1 ZINC001164705148 719855669 /nfs/dbraw/zinc/85/56/69/719855669.db2.gz TXRQILVDMIYSGT-KKSFZXQISA-N 1 2 400.479 1.166 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(OC)ccc2n1 ZINC001164704642 719857010 /nfs/dbraw/zinc/85/70/10/719857010.db2.gz SCQIWRLDILJSPD-HRAATJIYSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(OC)n1 ZINC001164700629 719858633 /nfs/dbraw/zinc/85/86/33/719858633.db2.gz IHXXDDFWRYAAGF-VFNWGFHPSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(C(=O)OC(C)(C)C)n1 ZINC001164704113 719858680 /nfs/dbraw/zinc/85/86/80/719858680.db2.gz RMZZFWUNDKUKFU-QVKFZJNVSA-N 1 2 420.510 1.665 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)N2CCCC2)ccn1 ZINC001164698819 719862130 /nfs/dbraw/zinc/86/21/30/719862130.db2.gz DTTFXWGKOOTGBZ-PGRDOPGGSA-N 1 2 416.522 1.550 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)cnc21 ZINC001164701705 719864659 /nfs/dbraw/zinc/86/46/59/719864659.db2.gz GWXVQAOIKVRGTN-JLTOFOAXSA-N 1 2 401.467 1.266 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCSCC2)ncn1 ZINC001164708045 719874714 /nfs/dbraw/zinc/87/47/14/719874714.db2.gz XJCMLBJWLQGRDM-JXFKEZNVSA-N 1 2 421.567 1.263 20 0 HDADLO CCOC(=O)Cc1ccnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164700785 719879064 /nfs/dbraw/zinc/87/90/64/719879064.db2.gz LLEZPGXCCDYWSJ-UTKZUKDTSA-N 1 2 405.495 1.420 20 0 HDADLO CCOc1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709772 719907946 /nfs/dbraw/zinc/90/79/46/719907946.db2.gz ZXYOTCYISQWMJH-UHFFFAOYSA-N 1 2 418.929 1.818 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(N3CCCCC3)n1)CC2 ZINC001164708671 719917065 /nfs/dbraw/zinc/91/70/65/719917065.db2.gz GHPOBRYPCQHYGV-UHFFFAOYSA-N 1 2 424.553 1.151 20 0 HDADLO CC(C)c1c(Cl)ncnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708300 719934344 /nfs/dbraw/zinc/93/43/44/719934344.db2.gz IAQJPUUTJVPFCD-UHFFFAOYSA-N 1 2 417.945 1.937 20 0 HDADLO C[C@H]1CCc2nnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)cc2C1 ZINC001164708582 719935402 /nfs/dbraw/zinc/93/54/02/719935402.db2.gz LUNBFURWYRSPAS-HNNXBMFYSA-N 1 2 409.538 1.285 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccnc(-c3nccs3)n1)CC2 ZINC001164715834 720049892 /nfs/dbraw/zinc/04/98/92/720049892.db2.gz UQMNZEGBBFNUNQ-UHFFFAOYSA-N 1 2 424.534 1.284 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3)C2)C1 ZINC001164718442 720208101 /nfs/dbraw/zinc/20/81/01/720208101.db2.gz LYBVIKJXCAFPMV-KRWDZBQOSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3)C2)C1 ZINC001164718442 720208105 /nfs/dbraw/zinc/20/81/05/720208105.db2.gz LYBVIKJXCAFPMV-KRWDZBQOSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164719306 720213625 /nfs/dbraw/zinc/21/36/25/720213625.db2.gz QWMHCXRBEZKJFI-KRWDZBQOSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164719306 720213635 /nfs/dbraw/zinc/21/36/35/720213635.db2.gz QWMHCXRBEZKJFI-KRWDZBQOSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(C)n3)C2)C1 ZINC001164716119 720224595 /nfs/dbraw/zinc/22/45/95/720224595.db2.gz ARBQGJIGIKDJTD-QGZVFWFLSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(C)n3)C2)C1 ZINC001164716119 720224602 /nfs/dbraw/zinc/22/46/02/720224602.db2.gz ARBQGJIGIKDJTD-QGZVFWFLSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(C)n3)C2)C1 ZINC001164716110 720225123 /nfs/dbraw/zinc/22/51/23/720225123.db2.gz ARBQGJIGIKDJTD-KRWDZBQOSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(C)n3)C2)C1 ZINC001164716110 720225129 /nfs/dbraw/zinc/22/51/29/720225129.db2.gz ARBQGJIGIKDJTD-KRWDZBQOSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnnc(Cl)c3)C2)C1 ZINC001164720470 720250793 /nfs/dbraw/zinc/25/07/93/720250793.db2.gz WQTQLFPGUBEMDH-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnnc(Cl)c3)C2)C1 ZINC001164720470 720250806 /nfs/dbraw/zinc/25/08/06/720250806.db2.gz WQTQLFPGUBEMDH-INIZCTEOSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(Cl)cccc4n3)C2)C1 ZINC001164718344 720258368 /nfs/dbraw/zinc/25/83/68/720258368.db2.gz FEARJJOKPRPMFB-FQEVSTJZSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(Cl)cccc4n3)C2)C1 ZINC001164718344 720258382 /nfs/dbraw/zinc/25/83/82/720258382.db2.gz FEARJJOKPRPMFB-FQEVSTJZSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)-c3ccccc3CC4)C2)C1 ZINC001164721221 720274699 /nfs/dbraw/zinc/27/46/99/720274699.db2.gz HTWFDZJLDZGUCA-XMMPIXPASA-N 1 2 421.545 1.907 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)-c3ccccc3CC4)C2)C1 ZINC001164721221 720274710 /nfs/dbraw/zinc/27/47/10/720274710.db2.gz HTWFDZJLDZGUCA-XMMPIXPASA-N 1 2 421.545 1.907 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nnc3Cl)C2)C1 ZINC001164721303 720288878 /nfs/dbraw/zinc/28/88/78/720288878.db2.gz JIINBGQOXRFJRX-QGZVFWFLSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nnc3Cl)C2)C1 ZINC001164721303 720288880 /nfs/dbraw/zinc/28/88/80/720288880.db2.gz JIINBGQOXRFJRX-QGZVFWFLSA-N 1 2 417.888 1.648 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(F)c[n+]4[O-])CC3)C2=O)cs1 ZINC001164825695 720365246 /nfs/dbraw/zinc/36/52/46/720365246.db2.gz TYDWPKQHJIBWCK-UHFFFAOYSA-N 1 2 405.499 1.537 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(F)c[n+]4[O-])CC3)C2=O)cs1 ZINC001164825695 720365255 /nfs/dbraw/zinc/36/52/55/720365255.db2.gz TYDWPKQHJIBWCK-UHFFFAOYSA-N 1 2 405.499 1.537 20 0 HDADLO CSc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822783 720437101 /nfs/dbraw/zinc/43/71/01/720437101.db2.gz HTDJPOBLBZKEHS-OAHLLOKOSA-N 1 2 404.540 1.385 20 0 HDADLO CCOc1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824677 720445537 /nfs/dbraw/zinc/44/55/37/720445537.db2.gz PDKYANLPXBJJHH-QGZVFWFLSA-N 1 2 401.511 1.666 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c1CCCC3)C2 ZINC001164823395 720446813 /nfs/dbraw/zinc/44/68/13/720446813.db2.gz IZFLJWDZZLTHBR-KRWDZBQOSA-N 1 2 412.538 1.542 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(N)cc1Cl)C2 ZINC001164822471 720453009 /nfs/dbraw/zinc/45/30/09/720453009.db2.gz FVJWHEYPGKKBPX-AWEZNQCLSA-N 1 2 406.918 1.503 20 0 HDADLO Cc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(C)c1Cl ZINC001164828849 720458494 /nfs/dbraw/zinc/45/84/94/720458494.db2.gz BDNCBIVQBYVJTG-INIZCTEOSA-N 1 2 420.945 1.933 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3ncsc3n1)C2 ZINC001164832666 720460837 /nfs/dbraw/zinc/46/08/37/720460837.db2.gz VGNICYPYJGFKQJ-CQSZACIVSA-N 1 2 415.523 1.272 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164861556 720895368 /nfs/dbraw/zinc/89/53/68/720895368.db2.gz YBXOQUVLIDJBNM-UHFFFAOYSA-N 1 2 407.812 1.887 20 0 HDADLO CCOC(=O)c1cncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910613 721767449 /nfs/dbraw/zinc/76/74/49/721767449.db2.gz JGCLUNYKPPETSH-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1cncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910613 721767451 /nfs/dbraw/zinc/76/74/51/721767451.db2.gz JGCLUNYKPPETSH-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO COc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912032 721769170 /nfs/dbraw/zinc/76/91/70/721769170.db2.gz JKFDWWZWPFLCAJ-IBGZPJMESA-N 1 2 405.886 1.641 20 0 HDADLO COc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912032 721769175 /nfs/dbraw/zinc/76/91/75/721769175.db2.gz JKFDWWZWPFLCAJ-IBGZPJMESA-N 1 2 405.886 1.641 20 0 HDADLO NC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911267 721770823 /nfs/dbraw/zinc/77/08/23/721770823.db2.gz GAQWANOHVKJDKU-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911267 721770830 /nfs/dbraw/zinc/77/08/30/721770830.db2.gz GAQWANOHVKJDKU-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO CCOC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164912769 721773735 /nfs/dbraw/zinc/77/37/35/721773735.db2.gz PRFZASOIXWMEMN-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164912769 721773738 /nfs/dbraw/zinc/77/37/38/721773738.db2.gz PRFZASOIXWMEMN-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO Clc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913340 721776167 /nfs/dbraw/zinc/77/61/67/721776167.db2.gz XBKSRSUUZWUBEE-KRWDZBQOSA-N 1 2 411.293 1.681 20 0 HDADLO Clc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913340 721776169 /nfs/dbraw/zinc/77/61/69/721776169.db2.gz XBKSRSUUZWUBEE-KRWDZBQOSA-N 1 2 411.293 1.681 20 0 HDADLO COc1nc(Cl)nc(C)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917720 721782458 /nfs/dbraw/zinc/78/24/58/721782458.db2.gz YWVXQAQMPSMJHA-HXUWFJFHSA-N 1 2 419.913 1.950 20 0 HDADLO COc1nc(Cl)nc(C)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917720 721782460 /nfs/dbraw/zinc/78/24/60/721782460.db2.gz YWVXQAQMPSMJHA-HXUWFJFHSA-N 1 2 419.913 1.950 20 0 HDADLO F[C@H](Oc1cncc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914298 721799502 /nfs/dbraw/zinc/79/95/02/721799502.db2.gz LJMXCALZIJNPLK-OALUTQOASA-N 1 2 423.876 1.760 20 0 HDADLO F[C@H](Oc1cncc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914298 721799503 /nfs/dbraw/zinc/79/95/03/721799503.db2.gz LJMXCALZIJNPLK-OALUTQOASA-N 1 2 423.876 1.760 20 0 HDADLO COC(=O)CSc1cncc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918197 721820201 /nfs/dbraw/zinc/82/02/01/721820201.db2.gz CWGCIQKTDMYNBP-UHFFFAOYSA-N 1 2 402.524 1.688 20 0 HDADLO CCOC(=O)C[C@@H]1C(=O)NCCN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001165035751 721874316 /nfs/dbraw/zinc/87/43/16/721874316.db2.gz WREAZASMOLJBJS-LJQANCHMSA-N 1 2 409.490 1.293 20 0 HDADLO CCOC(=O)C[C@@H]1C(=O)NCCN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001165035751 721874319 /nfs/dbraw/zinc/87/43/19/721874319.db2.gz WREAZASMOLJBJS-LJQANCHMSA-N 1 2 409.490 1.293 20 0 HDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cc1OC ZINC001164947011 721969741 /nfs/dbraw/zinc/96/97/41/721969741.db2.gz ZZGDWTVEDJOGBE-UHFFFAOYSA-N 1 2 424.501 1.848 20 0 HDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cc1OC ZINC001164947011 721969743 /nfs/dbraw/zinc/96/97/43/721969743.db2.gz ZZGDWTVEDJOGBE-UHFFFAOYSA-N 1 2 424.501 1.848 20 0 HDADLO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c21 ZINC001164947731 721974477 /nfs/dbraw/zinc/97/44/77/721974477.db2.gz RRTHGSWLFIHOIT-INIZCTEOSA-N 1 2 420.517 1.893 20 0 HDADLO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c21 ZINC001164947731 721974479 /nfs/dbraw/zinc/97/44/79/721974479.db2.gz RRTHGSWLFIHOIT-INIZCTEOSA-N 1 2 420.517 1.893 20 0 HDADLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2c1ccn2C ZINC001164948106 721981590 /nfs/dbraw/zinc/98/15/90/721981590.db2.gz JCXSZIJCAHROIX-UHFFFAOYSA-N 1 2 420.517 1.948 20 0 HDADLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2c1ccn2C ZINC001164948106 721981591 /nfs/dbraw/zinc/98/15/91/721981591.db2.gz JCXSZIJCAHROIX-UHFFFAOYSA-N 1 2 420.517 1.948 20 0 HDADLO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1[nH+]ccc3c1NC(=O)CO3)C2 ZINC001165006928 722265053 /nfs/dbraw/zinc/26/50/53/722265053.db2.gz OMUOSBOZJVBSNR-OAQYLSRUSA-N 1 2 411.437 1.479 20 0 HDADLO C[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1(=O)=O ZINC000429046563 1073465972 /nfs/dbraw/zinc/46/59/72/1073465972.db2.gz VISYFVGWFTXEAV-HKUYNNGSSA-N 1 2 409.552 1.496 20 0 HDADLO C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1(=O)=O ZINC000429046563 1073465978 /nfs/dbraw/zinc/46/59/78/1073465978.db2.gz VISYFVGWFTXEAV-HKUYNNGSSA-N 1 2 409.552 1.496 20 0 HDADLO COc1c(F)cc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1S(N)(=O)=O ZINC000509076592 1073473790 /nfs/dbraw/zinc/47/37/90/1073473790.db2.gz FSMQUCOYGGPUHC-UHFFFAOYSA-N 1 2 418.450 1.526 20 0 HDADLO O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000509096184 1073513888 /nfs/dbraw/zinc/51/38/88/1073513888.db2.gz VBALDNHMJDEQRQ-YJBOKZPZSA-N 1 2 400.441 1.872 20 0 HDADLO O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000509096184 1073513903 /nfs/dbraw/zinc/51/39/03/1073513903.db2.gz VBALDNHMJDEQRQ-YJBOKZPZSA-N 1 2 400.441 1.872 20 0 HDADLO NC(=O)CC[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)N1C(=O)c2ccccc2C1=O ZINC000673648370 1073534868 /nfs/dbraw/zinc/53/48/68/1073534868.db2.gz XVURMBQTZOSEIH-LJQANCHMSA-N 1 2 420.469 1.049 20 0 HDADLO CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000429088404 1073539385 /nfs/dbraw/zinc/53/93/85/1073539385.db2.gz SLQDESCXXIJXGI-DNVCBOLYSA-N 1 2 408.572 1.744 20 0 HDADLO O=C(c1ccc(Cl)cc1Cl)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000509112956 1073562311 /nfs/dbraw/zinc/56/23/11/1073562311.db2.gz RHFBQMGXMOYRFW-HNNXBMFYSA-N 1 2 402.322 1.444 20 0 HDADLO COC(=O)[C@@H]1CCCN(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC001128520453 1073611211 /nfs/dbraw/zinc/61/12/11/1073611211.db2.gz GXNDIDLREDLZQT-QGZVFWFLSA-N 1 2 402.495 1.337 20 0 HDADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)CC2 ZINC000673680199 1073633557 /nfs/dbraw/zinc/63/35/57/1073633557.db2.gz BYSSAEXFKMBXKP-IBGZPJMESA-N 1 2 414.531 1.934 20 0 HDADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)CC2 ZINC000673680199 1073633565 /nfs/dbraw/zinc/63/35/65/1073633565.db2.gz BYSSAEXFKMBXKP-IBGZPJMESA-N 1 2 414.531 1.934 20 0 HDADLO Cc1cccn2cc(CCNC(=O)Cc3c(C)nc(-c4ccncc4)[nH]c3=O)[nH+]c12 ZINC000673747190 1073681299 /nfs/dbraw/zinc/68/12/99/1073681299.db2.gz QKZOWSFZIWCXDZ-UHFFFAOYSA-N 1 2 402.458 1.998 20 0 HDADLO CN1C(=O)CO[C@H](C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccnc1 ZINC001168741615 1073688836 /nfs/dbraw/zinc/68/88/36/1073688836.db2.gz FKMAZASINYCDRN-RLLQIKCJSA-N 1 2 414.893 1.806 20 0 HDADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000429127261 1073705040 /nfs/dbraw/zinc/70/50/40/1073705040.db2.gz BSRAKCLDGFBGCM-SFHVURJKSA-N 1 2 424.567 1.660 20 0 HDADLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000429127261 1073705047 /nfs/dbraw/zinc/70/50/47/1073705047.db2.gz BSRAKCLDGFBGCM-SFHVURJKSA-N 1 2 424.567 1.660 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000673765306 1073709699 /nfs/dbraw/zinc/70/96/99/1073709699.db2.gz MDGZYHFYFVBJSG-UHFFFAOYSA-N 1 2 418.465 1.357 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN(c4ncccc4C(N)=O)CC3)[nH+]c12 ZINC000673781459 1073716658 /nfs/dbraw/zinc/71/66/58/1073716658.db2.gz WVRAGBBJZYDDDL-UHFFFAOYSA-N 1 2 407.478 1.211 20 0 HDADLO O=C(Nc1ccccc1N1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782243 1073718838 /nfs/dbraw/zinc/71/88/38/1073718838.db2.gz ANXFXMCWVVNKAO-GOSISDBHSA-N 1 2 400.523 1.939 20 0 HDADLO CCCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673782290 1073719333 /nfs/dbraw/zinc/71/93/33/1073719333.db2.gz AZRDJYXKJBTWTF-SFHVURJKSA-N 1 2 402.495 1.088 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1C(=O)NC(C)C ZINC000673784373 1073723813 /nfs/dbraw/zinc/72/38/13/1073723813.db2.gz JMDPBBFRSWPDTJ-GOSISDBHSA-N 1 2 416.522 1.395 20 0 HDADLO Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cn2)n1 ZINC000673784744 1073726285 /nfs/dbraw/zinc/72/62/85/1073726285.db2.gz JVJHYLJCPUDAOI-GOSISDBHSA-N 1 2 412.494 1.146 20 0 HDADLO CC(C)n1ncc2cc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)cnc21 ZINC000673785593 1073727710 /nfs/dbraw/zinc/72/77/10/1073727710.db2.gz UPVWTSVRZRIVCU-QGZVFWFLSA-N 1 2 400.483 1.274 20 0 HDADLO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673785103 1073728920 /nfs/dbraw/zinc/72/89/20/1073728920.db2.gz NWUJZRUBTAZRHA-GOSISDBHSA-N 1 2 402.495 1.088 20 0 HDADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673786559 1073731119 /nfs/dbraw/zinc/73/11/19/1073731119.db2.gz GXCHWFLPCRXTRI-HNNXBMFYSA-N 1 2 423.473 1.914 20 0 HDADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673786560 1073731359 /nfs/dbraw/zinc/73/13/59/1073731359.db2.gz GXCHWFLPCRXTRI-OAHLLOKOSA-N 1 2 423.473 1.914 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2CCC(N)=O)CC1 ZINC000028947789 1073731847 /nfs/dbraw/zinc/73/18/47/1073731847.db2.gz KYPUXOSHIUNKRY-ZDUSSCGKSA-N 1 2 422.580 1.527 20 0 HDADLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000216295027 1073781850 /nfs/dbraw/zinc/78/18/50/1073781850.db2.gz WGMADCIPFNFQAU-QGZVFWFLSA-N 1 2 403.552 1.665 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CCCN1c1ncccn1 ZINC000673833358 1073797913 /nfs/dbraw/zinc/79/79/13/1073797913.db2.gz FMFCVTXVGJXLKY-IBGZPJMESA-N 1 2 411.506 1.473 20 0 HDADLO O=C(N[C@H]1Cc2cccc(O)c2C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000429156272 1073802510 /nfs/dbraw/zinc/80/25/10/1073802510.db2.gz KXIJYGDJRWQLLZ-KRWDZBQOSA-N 1 2 424.505 1.018 20 0 HDADLO O=C(N[C@H]1Cc2cccc(O)c2C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000429156272 1073802519 /nfs/dbraw/zinc/80/25/19/1073802519.db2.gz KXIJYGDJRWQLLZ-KRWDZBQOSA-N 1 2 424.505 1.018 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000673872209 1073838642 /nfs/dbraw/zinc/83/86/42/1073838642.db2.gz LEWAFCQTOCDPRU-MRXNPFEDSA-N 1 2 420.464 1.894 20 0 HDADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cn2)C[C@H](C)O1 ZINC000673873056 1073839839 /nfs/dbraw/zinc/83/98/39/1073839839.db2.gz CXKLPCXXPULEDK-SOLBZPMBSA-N 1 2 415.498 1.584 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000766040307 1073867629 /nfs/dbraw/zinc/86/76/29/1073867629.db2.gz PPVZTOWITZLLBX-FUHWJXTLSA-N 1 2 420.897 1.970 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000766040307 1073867635 /nfs/dbraw/zinc/86/76/35/1073867635.db2.gz PPVZTOWITZLLBX-FUHWJXTLSA-N 1 2 420.897 1.970 20 0 HDADLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000766042651 1073882096 /nfs/dbraw/zinc/88/20/96/1073882096.db2.gz LWCYHULPJRKDTP-SJORKVTESA-N 1 2 419.588 1.664 20 0 HDADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000766042645 1073883402 /nfs/dbraw/zinc/88/34/02/1073883402.db2.gz LWCYHULPJRKDTP-IRXDYDNUSA-N 1 2 419.588 1.664 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccco1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001005042267 1073973435 /nfs/dbraw/zinc/97/34/35/1073973435.db2.gz VYYLWTCUZKLRST-DZVNLGKHSA-N 1 2 403.479 1.021 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccoc1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001005039867 1073977160 /nfs/dbraw/zinc/97/71/60/1073977160.db2.gz LMAGOSPQKHVMIS-QQXKLLMISA-N 1 2 403.479 1.021 20 0 HDADLO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543526596 1074002934 /nfs/dbraw/zinc/00/29/34/1074002934.db2.gz HNCKFCULEBGPIJ-UHFFFAOYSA-N 1 2 415.465 1.788 20 0 HDADLO O=C(Nc1cccc(CSc2ccccn2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529934 1074020090 /nfs/dbraw/zinc/02/00/90/1074020090.db2.gz PVLLKAAMKIOABG-UHFFFAOYSA-N 1 2 400.504 1.449 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC3CC[NH+](CC4CC4)CC3)s[nH]2)c1 ZINC000543534296 1074033726 /nfs/dbraw/zinc/03/37/26/1074033726.db2.gz YCXPWLPXSHMKHC-UHFFFAOYSA-N 1 2 415.519 1.565 20 0 HDADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000543534051 1074033954 /nfs/dbraw/zinc/03/39/54/1074033954.db2.gz QCTFYUFTSSMVOR-UHFFFAOYSA-N 1 2 421.461 1.232 20 0 HDADLO C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)Cc1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000543542025 1074050052 /nfs/dbraw/zinc/05/00/52/1074050052.db2.gz HVKGTENGCVWAJJ-QGZVFWFLSA-N 1 2 406.490 1.822 20 0 HDADLO O=C(CCNC(=O)c1ccnc(-n2cccc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC001626092824 1074054071 /nfs/dbraw/zinc/05/40/71/1074054071.db2.gz DMKJCQCJRSPTEZ-UHFFFAOYSA-N 1 2 404.474 1.736 20 0 HDADLO COc1ccccc1-c1noc([C@H](C)NCC(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000543540691 1074055450 /nfs/dbraw/zinc/05/54/50/1074055450.db2.gz FKTHCVYAMHNWFR-HNNXBMFYSA-N 1 2 417.510 1.623 20 0 HDADLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000543548300 1074063448 /nfs/dbraw/zinc/06/34/48/1074063448.db2.gz HSRVOZMERPWAIP-ZIAGYGMSSA-N 1 2 403.458 1.914 20 0 HDADLO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(-c2ccccc2)nn1 ZINC000543549670 1074072965 /nfs/dbraw/zinc/07/29/65/1074072965.db2.gz UZWABACSHFJNQN-MRXNPFEDSA-N 1 2 408.462 1.496 20 0 HDADLO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429203396 1074075515 /nfs/dbraw/zinc/07/55/15/1074075515.db2.gz LXXMJSNMOZQHSU-HNNXBMFYSA-N 1 2 405.480 1.041 20 0 HDADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000543555498 1074082942 /nfs/dbraw/zinc/08/29/42/1074082942.db2.gz UBZAGXYWSJFAMJ-AWEZNQCLSA-N 1 2 411.462 1.290 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 ZINC000674024190 1074084771 /nfs/dbraw/zinc/08/47/71/1074084771.db2.gz NCEMFTIQWXRDQN-OAHLLOKOSA-N 1 2 404.554 1.215 20 0 HDADLO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1 ZINC000543554004 1074087777 /nfs/dbraw/zinc/08/77/77/1074087777.db2.gz WQCHUPUXKARPHT-AWEZNQCLSA-N 1 2 417.535 1.764 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000674022729 1074088210 /nfs/dbraw/zinc/08/82/10/1074088210.db2.gz APWQIQPVDSKRLL-OAHLLOKOSA-N 1 2 408.973 1.860 20 0 HDADLO O=C1COc2ccc(S(=O)(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2N1 ZINC000026112257 1074112308 /nfs/dbraw/zinc/11/23/08/1074112308.db2.gz RLKPGSPYIYASDV-UHFFFAOYSA-N 1 2 409.508 1.331 20 0 HDADLO CC(=O)N[C@@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001128642726 1074200676 /nfs/dbraw/zinc/20/06/76/1074200676.db2.gz LQTXIELQYOIFKV-CXAGYDPISA-N 1 2 412.328 1.805 20 0 HDADLO C[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccncc1 ZINC000674184079 1074216613 /nfs/dbraw/zinc/21/66/13/1074216613.db2.gz GEEDUNSAWZRLPR-QGZVFWFLSA-N 1 2 411.510 1.344 20 0 HDADLO C[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccncc1 ZINC000674184079 1074216618 /nfs/dbraw/zinc/21/66/18/1074216618.db2.gz GEEDUNSAWZRLPR-QGZVFWFLSA-N 1 2 411.510 1.344 20 0 HDADLO O=C(Nc1cc(F)cc(N2CCOCC2)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674204346 1074220490 /nfs/dbraw/zinc/22/04/90/1074220490.db2.gz SPOMIUJTBRPDMC-QGZVFWFLSA-N 1 2 401.442 1.661 20 0 HDADLO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674269628 1074250149 /nfs/dbraw/zinc/25/01/49/1074250149.db2.gz DYKUDVFMGKFHRK-UHFFFAOYSA-N 1 2 424.501 1.858 20 0 HDADLO Cn1cc(N2CCN(C(=O)N[C@H](Cc3[nH+]ccn3C)c3ccccc3)CC2=O)cn1 ZINC000674295846 1074258448 /nfs/dbraw/zinc/25/84/48/1074258448.db2.gz WHCPBSCXDOFGMM-GOSISDBHSA-N 1 2 407.478 1.496 20 0 HDADLO Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000674323064 1074272262 /nfs/dbraw/zinc/27/22/62/1074272262.db2.gz DXBKXQYVPJHLCH-UHFFFAOYSA-N 1 2 417.531 1.224 20 0 HDADLO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2cc(F)ccc2O)cc1 ZINC000674323964 1074273294 /nfs/dbraw/zinc/27/32/94/1074273294.db2.gz KJHOIUDCOFVLFQ-UHFFFAOYSA-N 1 2 400.454 1.994 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC2(CO)Cc3ccccc3C2)CC1 ZINC000674379946 1074306099 /nfs/dbraw/zinc/30/60/99/1074306099.db2.gz XVILKJGVORKBAT-UHFFFAOYSA-N 1 2 408.502 1.726 20 0 HDADLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(F)c(Br)c1 ZINC000674396753 1074310296 /nfs/dbraw/zinc/31/02/96/1074310296.db2.gz BDQLODPTVJOHEQ-OCCSQVGLSA-N 1 2 418.307 1.984 20 0 HDADLO COC[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000674399327 1074310989 /nfs/dbraw/zinc/31/09/89/1074310989.db2.gz YXMGIFJUAUDJTA-IAGOWNOFSA-N 1 2 419.444 1.727 20 0 HDADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)CCN3CCCS3(=O)=O)n2)C1 ZINC000674418142 1074318344 /nfs/dbraw/zinc/31/83/44/1074318344.db2.gz RHMPEZLPXIPEMF-CQSZACIVSA-N 1 2 415.585 1.874 20 0 HDADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)CCN3CCCS3(=O)=O)n2)C1 ZINC000674418142 1074318350 /nfs/dbraw/zinc/31/83/50/1074318350.db2.gz RHMPEZLPXIPEMF-CQSZACIVSA-N 1 2 415.585 1.874 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000674424108 1074325923 /nfs/dbraw/zinc/32/59/23/1074325923.db2.gz GRXVSUYCLXTZCI-FOIQADDNSA-N 1 2 400.483 1.202 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccccc1 ZINC000674440249 1074338313 /nfs/dbraw/zinc/33/83/13/1074338313.db2.gz PBIMSPPPNLUUMP-HOIFWPIMSA-N 1 2 424.505 1.724 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CCN2C1=O ZINC000674468905 1074367395 /nfs/dbraw/zinc/36/73/95/1074367395.db2.gz SVXQQEQFNXFFBE-HOTGVXAUSA-N 1 2 422.432 1.752 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CCN2C1=O ZINC000674468905 1074367402 /nfs/dbraw/zinc/36/74/02/1074367402.db2.gz SVXQQEQFNXFFBE-HOTGVXAUSA-N 1 2 422.432 1.752 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)c3cc(C)n(CC(F)(F)F)c3C)CCN2C1=O ZINC000674502544 1074399582 /nfs/dbraw/zinc/39/95/82/1074399582.db2.gz ZLYNYKCVTXWWAL-CQSZACIVSA-N 1 2 400.401 1.818 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)c3cc(C)n(CC(F)(F)F)c3C)CCN2C1=O ZINC000674502544 1074399586 /nfs/dbraw/zinc/39/95/86/1074399586.db2.gz ZLYNYKCVTXWWAL-CQSZACIVSA-N 1 2 400.401 1.818 20 0 HDADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674494775 1074405276 /nfs/dbraw/zinc/40/52/76/1074405276.db2.gz BLINPOQTIBGLEN-ZDUSSCGKSA-N 1 2 405.923 1.793 20 0 HDADLO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674494775 1074405278 /nfs/dbraw/zinc/40/52/78/1074405278.db2.gz BLINPOQTIBGLEN-ZDUSSCGKSA-N 1 2 405.923 1.793 20 0 HDADLO COCCOc1ccccc1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000141193266 1074410570 /nfs/dbraw/zinc/41/05/70/1074410570.db2.gz MPFWBQFCALZSFI-UHFFFAOYSA-N 1 2 411.466 1.743 20 0 HDADLO CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000674566209 1074442076 /nfs/dbraw/zinc/44/20/76/1074442076.db2.gz ZECVJZYLPBGBPI-UHFFFAOYSA-N 1 2 407.496 1.461 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1=O ZINC000674581491 1074457792 /nfs/dbraw/zinc/45/77/92/1074457792.db2.gz RIQPJSYLDUJOCI-FIKGOQFSSA-N 1 2 416.547 1.613 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1ccn(CC(F)F)n1)c1ccccc1 ZINC000674764441 1074558130 /nfs/dbraw/zinc/55/81/30/1074558130.db2.gz ZSMPMCRMIDWRCQ-CQSZACIVSA-N 1 2 402.405 1.920 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C(F)F)c1)C2 ZINC001005538505 1074698735 /nfs/dbraw/zinc/69/87/35/1074698735.db2.gz KMCZKGRDFDHAED-RYPNDVFKSA-N 1 2 404.421 1.677 20 0 HDADLO Cc1noc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000509306602 1074703138 /nfs/dbraw/zinc/70/31/38/1074703138.db2.gz SMZWDCWKMPNUBQ-SFHVURJKSA-N 1 2 412.494 1.428 20 0 HDADLO COC(=O)CCc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000470342124 1074716747 /nfs/dbraw/zinc/71/67/47/1074716747.db2.gz JVGZMGOAUOAPNX-UHFFFAOYSA-N 1 2 401.467 1.965 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](Cc3[nH+]ccn3C)c3ccccc3)CCN2C1=O ZINC000675106301 1074722078 /nfs/dbraw/zinc/72/20/78/1074722078.db2.gz RIPMXEPGJYDHID-SJORKVTESA-N 1 2 410.478 1.382 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057130 1074731333 /nfs/dbraw/zinc/73/13/33/1074731333.db2.gz ODPVOWSRFDOFQI-UHFFFAOYSA-N 1 2 406.368 2.305 20 0 HDADLO COc1cc(C)ccc1CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675126273 1074732384 /nfs/dbraw/zinc/73/23/84/1074732384.db2.gz SLYAKIPEOTUIRD-UHFFFAOYSA-N 1 2 424.501 1.646 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)cc2)CC1 ZINC000675127543 1074733733 /nfs/dbraw/zinc/73/37/33/1074733733.db2.gz WACFWPZWYBBDMX-PUZFROQSSA-N 1 2 402.539 1.430 20 0 HDADLO C[C@@H]1COCCN1CCNc1nc2ncccc2nc1NCC[N@@H+]1CCOC[C@H]1C ZINC000675150374 1074737860 /nfs/dbraw/zinc/73/78/60/1074737860.db2.gz KJOAXEOTGXLLMR-IAGOWNOFSA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCCN1CCNc1nc2ncccc2nc1NCC[N@H+]1CCOC[C@H]1C ZINC000675150374 1074737866 /nfs/dbraw/zinc/73/78/66/1074737866.db2.gz KJOAXEOTGXLLMR-IAGOWNOFSA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCCN1CCNc1nc2cccnc2nc1NCC[N@@H+]1CCOC[C@H]1C ZINC000675150374 1074737876 /nfs/dbraw/zinc/73/78/76/1074737876.db2.gz KJOAXEOTGXLLMR-IAGOWNOFSA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1COCCN1CCNc1nc2cccnc2nc1NCC[N@H+]1CCOC[C@H]1C ZINC000675150374 1074737884 /nfs/dbraw/zinc/73/78/84/1074737884.db2.gz KJOAXEOTGXLLMR-IAGOWNOFSA-N 1 2 415.542 1.290 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)CCN2C1=O ZINC000675140913 1074739562 /nfs/dbraw/zinc/73/95/62/1074739562.db2.gz RKIUQDMOXBABDD-MRXNPFEDSA-N 1 2 412.450 1.462 20 0 HDADLO CN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615210 1074740189 /nfs/dbraw/zinc/74/01/89/1074740189.db2.gz UXPHCBIQPLFNNX-UHFFFAOYSA-N 1 2 424.505 1.249 20 0 HDADLO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219103 1074759642 /nfs/dbraw/zinc/75/96/42/1074759642.db2.gz YVOPYUKLGSGORE-GJZGRUSLSA-N 1 2 422.323 1.735 20 0 HDADLO CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc(C(C)C)nc21 ZINC000675219423 1074762258 /nfs/dbraw/zinc/76/22/58/1074762258.db2.gz UOOPFMDFCASSTF-CQSZACIVSA-N 1 2 415.494 1.187 20 0 HDADLO COc1ccc(-n2c(C)nnc2SCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675219281 1074762846 /nfs/dbraw/zinc/76/28/46/1074762846.db2.gz LDJXIPYOEZISTB-QGZVFWFLSA-N 1 2 417.535 1.610 20 0 HDADLO CO[C@]1(C)C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1(C)C ZINC000466669208 1074783044 /nfs/dbraw/zinc/78/30/44/1074783044.db2.gz FYSXSNHMXCYHTC-HRAATJIYSA-N 1 2 418.542 1.348 20 0 HDADLO CO[C@]1(C)C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1(C)C ZINC000466669208 1074783054 /nfs/dbraw/zinc/78/30/54/1074783054.db2.gz FYSXSNHMXCYHTC-HRAATJIYSA-N 1 2 418.542 1.348 20 0 HDADLO CO[C@]1(C)C[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1(C)C ZINC000466669210 1074783243 /nfs/dbraw/zinc/78/32/43/1074783243.db2.gz FYSXSNHMXCYHTC-IIBYNOLFSA-N 1 2 418.542 1.348 20 0 HDADLO CO[C@]1(C)C[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1(C)C ZINC000466669210 1074783252 /nfs/dbraw/zinc/78/32/52/1074783252.db2.gz FYSXSNHMXCYHTC-IIBYNOLFSA-N 1 2 418.542 1.348 20 0 HDADLO O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000675281459 1074786426 /nfs/dbraw/zinc/78/64/26/1074786426.db2.gz RLZSGCCAHMRSAV-ICSRJNTNSA-N 1 2 403.498 1.540 20 0 HDADLO CCOC(=O)c1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc(S(C)(=O)=O)c1 ZINC000429330072 1074809351 /nfs/dbraw/zinc/80/93/51/1074809351.db2.gz FBKCMAXTTVHDKA-ZDUSSCGKSA-N 1 2 406.464 1.600 20 0 HDADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606009710 1074812019 /nfs/dbraw/zinc/81/20/19/1074812019.db2.gz ZLJROIDWFDODKH-UHFFFAOYSA-N 1 2 415.457 1.826 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001005588738 1074815596 /nfs/dbraw/zinc/81/55/96/1074815596.db2.gz CSOMZAGYLXYTTF-RTYCURFASA-N 1 2 404.474 1.962 20 0 HDADLO COc1cncc(S(=O)(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000509242327 1075093349 /nfs/dbraw/zinc/09/33/49/1075093349.db2.gz ZOYJDMWWZIBSEC-HNNXBMFYSA-N 1 2 404.492 1.588 20 0 HDADLO COc1cncc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000509242327 1075093355 /nfs/dbraw/zinc/09/33/55/1075093355.db2.gz ZOYJDMWWZIBSEC-HNNXBMFYSA-N 1 2 404.492 1.588 20 0 HDADLO COC(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(N(C)C)c1 ZINC000485016838 1075097463 /nfs/dbraw/zinc/09/74/63/1075097463.db2.gz RLZKYCHWWSBIHI-UHFFFAOYSA-N 1 2 416.482 1.712 20 0 HDADLO CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000469394882 1075101207 /nfs/dbraw/zinc/10/12/07/1075101207.db2.gz FOHYUYQDNQZPHF-UHFFFAOYSA-N 1 2 420.535 2.041 20 0 HDADLO CCCOc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000439164377 1075135952 /nfs/dbraw/zinc/13/59/52/1075135952.db2.gz HCZUIKKUUXRZLR-UHFFFAOYSA-N 1 2 401.467 1.581 20 0 HDADLO CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000482235907 1075151628 /nfs/dbraw/zinc/15/16/28/1075151628.db2.gz FUHRJYKRECNRKU-LJQANCHMSA-N 1 2 413.522 1.681 20 0 HDADLO Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000509249830 1075173013 /nfs/dbraw/zinc/17/30/13/1075173013.db2.gz RVYCLKPULPKGNZ-MRXNPFEDSA-N 1 2 405.524 1.535 20 0 HDADLO Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000509249830 1075173015 /nfs/dbraw/zinc/17/30/15/1075173015.db2.gz RVYCLKPULPKGNZ-MRXNPFEDSA-N 1 2 405.524 1.535 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N(CC1CCCCC1)C1CC1 ZINC000448494139 1075184577 /nfs/dbraw/zinc/18/45/77/1075184577.db2.gz COZCTPKPLWMEKI-UHFFFAOYSA-N 1 2 403.527 1.725 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000440380712 1075185325 /nfs/dbraw/zinc/18/53/25/1075185325.db2.gz GQGVIQDUBLGJFP-UHFFFAOYSA-N 1 2 413.478 1.581 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(Cc2ccsc2)CC1 ZINC000536018123 1075187037 /nfs/dbraw/zinc/18/70/37/1075187037.db2.gz UYOBQMIPBOZUBK-UHFFFAOYSA-N 1 2 404.540 1.627 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000446064863 1075190448 /nfs/dbraw/zinc/19/04/48/1075190448.db2.gz UGIIHANAUGMNFT-UHFFFAOYSA-N 1 2 400.870 2.511 20 0 HDADLO O=C(Nc1ccn(CCN2CCOCC2)n1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474700003 1075190486 /nfs/dbraw/zinc/19/04/86/1075190486.db2.gz YVOLUMWWKIFVPH-LJQANCHMSA-N 1 2 401.486 1.958 20 0 HDADLO O=C(Nc1ccn(CCN2CCOCC2)n1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474700003 1075190489 /nfs/dbraw/zinc/19/04/89/1075190489.db2.gz YVOLUMWWKIFVPH-LJQANCHMSA-N 1 2 401.486 1.958 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000596042141 1075191739 /nfs/dbraw/zinc/19/17/39/1075191739.db2.gz ZPQQAELZXRWHSI-UHFFFAOYSA-N 1 2 401.858 1.702 20 0 HDADLO Cc1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C2)[nH]1 ZINC000675528994 1075200670 /nfs/dbraw/zinc/20/06/70/1075200670.db2.gz ABECTBLCYJQMKD-MRXNPFEDSA-N 1 2 411.510 1.912 20 0 HDADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)no1 ZINC000518958550 1075221500 /nfs/dbraw/zinc/22/15/00/1075221500.db2.gz UHZAAZICZFMCPB-HOTGVXAUSA-N 1 2 410.540 1.757 20 0 HDADLO CCc1c(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cnn1-c1ccccc1 ZINC000466690167 1075231443 /nfs/dbraw/zinc/23/14/43/1075231443.db2.gz OZYMEHNXSSKSOG-INIZCTEOSA-N 1 2 400.483 1.085 20 0 HDADLO CCc1c(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cnn1-c1ccccc1 ZINC000466690167 1075231449 /nfs/dbraw/zinc/23/14/49/1075231449.db2.gz OZYMEHNXSSKSOG-INIZCTEOSA-N 1 2 400.483 1.085 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1nnc(CC(F)(F)F)s1 ZINC000470407549 1075237995 /nfs/dbraw/zinc/23/79/95/1075237995.db2.gz JQGRVNITAPOQPV-UHFFFAOYSA-N 1 2 405.406 1.816 20 0 HDADLO C[NH+](C)CCn1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cn1 ZINC000675621408 1075241321 /nfs/dbraw/zinc/24/13/21/1075241321.db2.gz PZBDKKBPHRYMJO-UHFFFAOYSA-N 1 2 420.520 1.954 20 0 HDADLO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1C ZINC000675702163 1075256897 /nfs/dbraw/zinc/25/68/97/1075256897.db2.gz XNLZNHYHYVJXRN-OALUTQOASA-N 1 2 416.522 1.960 20 0 HDADLO Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675701874 1075257230 /nfs/dbraw/zinc/25/72/30/1075257230.db2.gz GKKNWZYNQXPHDK-MOPGFXCFSA-N 1 2 411.506 1.879 20 0 HDADLO CN(C)c1nc2cc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)ccc2o1 ZINC000675924558 1075292569 /nfs/dbraw/zinc/29/25/69/1075292569.db2.gz LEGLFXVQNYSBFS-OAHLLOKOSA-N 1 2 401.467 1.156 20 0 HDADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429385820 1075292805 /nfs/dbraw/zinc/29/28/05/1075292805.db2.gz IPNDFASIOXOTKK-LSDHHAIUSA-N 1 2 402.944 1.932 20 0 HDADLO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429385820 1075292809 /nfs/dbraw/zinc/29/28/09/1075292809.db2.gz IPNDFASIOXOTKK-LSDHHAIUSA-N 1 2 402.944 1.932 20 0 HDADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429385811 1075292839 /nfs/dbraw/zinc/29/28/39/1075292839.db2.gz IPNDFASIOXOTKK-CABCVRRESA-N 1 2 402.944 1.932 20 0 HDADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429385811 1075292843 /nfs/dbraw/zinc/29/28/43/1075292843.db2.gz IPNDFASIOXOTKK-CABCVRRESA-N 1 2 402.944 1.932 20 0 HDADLO Cn1c(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)nc2cc(Cl)ccc21 ZINC000675925068 1075292830 /nfs/dbraw/zinc/29/28/30/1075292830.db2.gz JKAOEQOJOJDSCQ-HNNXBMFYSA-N 1 2 419.913 1.166 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)c1 ZINC000675926396 1075292858 /nfs/dbraw/zinc/29/28/58/1075292858.db2.gz WGFIZLLRUNJSKM-UHFFFAOYSA-N 1 2 422.489 1.816 20 0 HDADLO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000429383004 1075298338 /nfs/dbraw/zinc/29/83/38/1075298338.db2.gz DGVSPLVKDFLLIN-ROUUACIJSA-N 1 2 406.914 1.952 20 0 HDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000675941958 1075302818 /nfs/dbraw/zinc/30/28/18/1075302818.db2.gz ZTTYPVKXBQODJZ-OALUTQOASA-N 1 2 423.579 1.636 20 0 HDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000675941958 1075302820 /nfs/dbraw/zinc/30/28/20/1075302820.db2.gz ZTTYPVKXBQODJZ-OALUTQOASA-N 1 2 423.579 1.636 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000731336856 1075308655 /nfs/dbraw/zinc/30/86/55/1075308655.db2.gz UBRNRCXXHJDERE-ZDUSSCGKSA-N 1 2 419.404 1.317 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000731336845 1075308686 /nfs/dbraw/zinc/30/86/86/1075308686.db2.gz UBRNRCXXHJDERE-CYBMUJFWSA-N 1 2 419.404 1.317 20 0 HDADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c(F)c1 ZINC000676028360 1075329518 /nfs/dbraw/zinc/32/95/18/1075329518.db2.gz RSSQNHNCINOSAM-UHFFFAOYSA-N 1 2 411.440 1.579 20 0 HDADLO CCn1c(=O)c(C(=O)C[N@H+](C)CCOC(C)(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000676042214 1075338829 /nfs/dbraw/zinc/33/88/29/1075338829.db2.gz UFDIZOZPUWSNTC-UHFFFAOYSA-N 1 2 416.522 1.590 20 0 HDADLO CCn1c(=O)c(C(=O)C[N@@H+](C)CCOC(C)(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000676042214 1075338831 /nfs/dbraw/zinc/33/88/31/1075338831.db2.gz UFDIZOZPUWSNTC-UHFFFAOYSA-N 1 2 416.522 1.590 20 0 HDADLO CCOC1CC(CNC(=O)Nc2ccc(-c3ccccc3)nn2)([NH+]2CCOCC2)C1 ZINC000444907582 1075339205 /nfs/dbraw/zinc/33/92/05/1075339205.db2.gz ANCQEVHTVBMBNJ-UHFFFAOYSA-N 1 2 411.506 2.535 20 0 HDADLO CCOC1CC(CNC(=O)Nc2ccn(Cc3ccncc3)n2)([NH+]2CCOCC2)C1 ZINC000444904104 1075339494 /nfs/dbraw/zinc/33/94/94/1075339494.db2.gz RFVCBNHGUSWSRE-UHFFFAOYSA-N 1 2 414.510 1.718 20 0 HDADLO COc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1S(=O)(=O)N(C)C ZINC000470210449 1075354092 /nfs/dbraw/zinc/35/40/92/1075354092.db2.gz BPUXAGQVMAGHRS-UHFFFAOYSA-N 1 2 413.540 1.128 20 0 HDADLO CN(C)C(=O)Sc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000731441109 1075354531 /nfs/dbraw/zinc/35/45/31/1075354531.db2.gz KKMOPAXZNXPMCY-HNNXBMFYSA-N 1 2 420.535 1.580 20 0 HDADLO CCO[C@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C12CCCCC2 ZINC000428890363 1075358698 /nfs/dbraw/zinc/35/86/98/1075358698.db2.gz CLUSNHFQTSFRKP-MSOLQXFVSA-N 1 2 405.543 2.465 20 0 HDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCCc2nc3c(s2)CCCC3)C1 ZINC000804086511 1075371498 /nfs/dbraw/zinc/37/14/98/1075371498.db2.gz YLJKGWVPYFWCGA-AWEZNQCLSA-N 1 2 401.536 1.820 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804086563 1075373350 /nfs/dbraw/zinc/37/33/50/1075373350.db2.gz AAOYZKGNFDULMY-CVEARBPZSA-N 1 2 407.515 1.684 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000804087677 1075377472 /nfs/dbraw/zinc/37/74/72/1075377472.db2.gz IJHBFJZDAJXTMV-JKSUJKDBSA-N 1 2 419.526 1.999 20 0 HDADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc4ncccc4c3)CC2)C[C@H](C)O1 ZINC000509386009 1075388529 /nfs/dbraw/zinc/38/85/29/1075388529.db2.gz KQTSIWVEYXSCRQ-IRXDYDNUSA-N 1 2 404.536 1.706 20 0 HDADLO CC(C)(CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)NS(C)(=O)=O ZINC000676152570 1075402641 /nfs/dbraw/zinc/40/26/41/1075402641.db2.gz GXNBIQXBUOIFFF-SJORKVTESA-N 1 2 405.524 1.739 20 0 HDADLO CC(C)(CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)NS(C)(=O)=O ZINC000676152567 1075402694 /nfs/dbraw/zinc/40/26/94/1075402694.db2.gz GXNBIQXBUOIFFF-IAGOWNOFSA-N 1 2 405.524 1.739 20 0 HDADLO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466720004 1075421218 /nfs/dbraw/zinc/42/12/18/1075421218.db2.gz YNTSVKJFGVLUBL-HRCADAONSA-N 1 2 408.520 1.892 20 0 HDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000429403070 1075426435 /nfs/dbraw/zinc/42/64/35/1075426435.db2.gz ONBOZWRFEQKSNN-JZXOWHBKSA-N 1 2 416.522 1.832 20 0 HDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000429403070 1075426437 /nfs/dbraw/zinc/42/64/37/1075426437.db2.gz ONBOZWRFEQKSNN-JZXOWHBKSA-N 1 2 416.522 1.832 20 0 HDADLO CC(C)CC(=O)N[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731648293 1075426861 /nfs/dbraw/zinc/42/68/61/1075426861.db2.gz KEAWEVQZFCWAOC-HXUWFJFHSA-N 1 2 423.579 1.515 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(Nc3ncccn3)c2)CC1 ZINC000731647953 1075427729 /nfs/dbraw/zinc/42/77/29/1075427729.db2.gz IBPCFPPZRRCSQP-UHFFFAOYSA-N 1 2 403.508 1.459 20 0 HDADLO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648595 1075429972 /nfs/dbraw/zinc/42/99/72/1075429972.db2.gz OABOSEFOFFWQCL-HNNXBMFYSA-N 1 2 421.567 1.950 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000731650386 1075431450 /nfs/dbraw/zinc/43/14/50/1075431450.db2.gz HGTIZVCTBWUWPB-UHFFFAOYSA-N 1 2 412.537 1.356 20 0 HDADLO C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650223 1075431687 /nfs/dbraw/zinc/43/16/87/1075431687.db2.gz KOFRMYBSACPARH-HNNXBMFYSA-N 1 2 401.573 1.087 20 0 HDADLO COC(=O)c1cn(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2ccccc12 ZINC000731650195 1075431722 /nfs/dbraw/zinc/43/17/22/1075431722.db2.gz IZVLJAPOPMEIGB-UHFFFAOYSA-N 1 2 421.519 1.053 20 0 HDADLO CC(C)NC(=O)Nc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731650206 1075431779 /nfs/dbraw/zinc/43/17/79/1075431779.db2.gz JMCJFLZSCXMLQJ-UHFFFAOYSA-N 1 2 410.540 1.455 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cnnn2-c2ccccc2Cl)CC1 ZINC000731650213 1075431843 /nfs/dbraw/zinc/43/18/43/1075431843.db2.gz JWSJQSJOTMMBAJ-UHFFFAOYSA-N 1 2 411.915 1.160 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)o1 ZINC000676195564 1075432177 /nfs/dbraw/zinc/43/21/77/1075432177.db2.gz YOXVTEKXTNTJGB-LPHOPBHVSA-N 1 2 424.505 1.777 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)o1 ZINC000676195564 1075432184 /nfs/dbraw/zinc/43/21/84/1075432184.db2.gz YOXVTEKXTNTJGB-LPHOPBHVSA-N 1 2 424.505 1.777 20 0 HDADLO Cc1cc(Br)ccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650679 1075435417 /nfs/dbraw/zinc/43/54/17/1075435417.db2.gz MLTWYSXDOBVYDD-UHFFFAOYSA-N 1 2 403.342 1.996 20 0 HDADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cn2c(-c3ccccn3)csc2=O)CC1 ZINC000731660207 1075440597 /nfs/dbraw/zinc/44/05/97/1075440597.db2.gz FJXRLIYNSSBKON-INIZCTEOSA-N 1 2 415.563 1.994 20 0 HDADLO CN(Cc1ccc(Br)o1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686244 1075446664 /nfs/dbraw/zinc/44/66/64/1075446664.db2.gz QBBLJTXDNMTCRC-UHFFFAOYSA-N 1 2 422.345 1.693 20 0 HDADLO CN(CCOc1ccc(F)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686458 1075446704 /nfs/dbraw/zinc/44/67/04/1075446704.db2.gz WWHAQAQXMIXMNH-UHFFFAOYSA-N 1 2 401.504 1.355 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCN(c3ccccc3)CC2)CC1 ZINC000731685867 1075448525 /nfs/dbraw/zinc/44/85/25/1075448525.db2.gz DULZVYGJTYZFST-UHFFFAOYSA-N 1 2 408.568 1.417 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000731685777 1075448954 /nfs/dbraw/zinc/44/89/54/1075448954.db2.gz ASDGZVOITBADBA-UHFFFAOYSA-N 1 2 412.531 1.166 20 0 HDADLO C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676256923 1075451496 /nfs/dbraw/zinc/45/14/96/1075451496.db2.gz JAMMHHXAVDBBEP-DNVCBOLYSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676256923 1075451504 /nfs/dbraw/zinc/45/15/04/1075451504.db2.gz JAMMHHXAVDBBEP-DNVCBOLYSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000676256808 1075451554 /nfs/dbraw/zinc/45/15/54/1075451554.db2.gz QIRLSQNSOZIBSH-ROUUACIJSA-N 1 2 417.554 1.534 20 0 HDADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)C[C@H](C)O1 ZINC000509391199 1075452119 /nfs/dbraw/zinc/45/21/19/1075452119.db2.gz XTHLJUTYZITXIP-IRXDYDNUSA-N 1 2 423.579 1.872 20 0 HDADLO Cc1cc(Br)cn2cc(CCNC(=O)C3CCS(=O)(=O)CC3)[nH+]c12 ZINC000546821724 1075457462 /nfs/dbraw/zinc/45/74/62/1075457462.db2.gz KEWZVMFBWWCOFF-UHFFFAOYSA-N 1 2 414.325 1.889 20 0 HDADLO CNC(=O)CC1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000470724894 1075458111 /nfs/dbraw/zinc/45/81/11/1075458111.db2.gz WYVUGGONJSUOLE-UHFFFAOYSA-N 1 2 418.538 1.455 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCn2cnc3ccccc32)CC1 ZINC000731679394 1075461434 /nfs/dbraw/zinc/46/14/34/1075461434.db2.gz LGLUTNOINMIOHS-UHFFFAOYSA-N 1 2 407.540 1.235 20 0 HDADLO CS(=O)(=O)CCN1CCC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000731680539 1075462868 /nfs/dbraw/zinc/46/28/68/1075462868.db2.gz PSRJKIFGQVLQFA-UHFFFAOYSA-N 1 2 419.551 1.240 20 0 HDADLO COc1ccc(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1OC ZINC000731679833 1075462899 /nfs/dbraw/zinc/46/28/99/1075462899.db2.gz OOOPNTFYCFTPBC-UHFFFAOYSA-N 1 2 413.540 1.055 20 0 HDADLO CC[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc2c(c1)OCCO2 ZINC000438308322 1075463464 /nfs/dbraw/zinc/46/34/64/1075463464.db2.gz VUKBFSZADZJFGL-QGZVFWFLSA-N 1 2 415.494 2.259 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCN2CCc3ccccc32)CC1 ZINC000731680674 1075464160 /nfs/dbraw/zinc/46/41/60/1075464160.db2.gz REIGUJHLOOAUOD-UHFFFAOYSA-N 1 2 408.568 1.247 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000731682020 1075465106 /nfs/dbraw/zinc/46/51/06/1075465106.db2.gz FXXPIXULDLVEPS-UHFFFAOYSA-N 1 2 403.932 1.527 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000676270203 1075473289 /nfs/dbraw/zinc/47/32/89/1075473289.db2.gz LKIHILWYKUDLFU-INIZCTEOSA-N 1 2 424.505 1.726 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000676270976 1075473409 /nfs/dbraw/zinc/47/34/09/1075473409.db2.gz IJZJMBOILJICNX-UHFFFAOYSA-N 1 2 423.470 1.335 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCc2ccc3c(c2)COC3)CC1 ZINC000676274620 1075475111 /nfs/dbraw/zinc/47/51/11/1075475111.db2.gz GAPGJUOHURELTC-UHFFFAOYSA-N 1 2 422.485 1.359 20 0 HDADLO C[C@H]1Oc2ccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2NC1=O ZINC000731752308 1075508646 /nfs/dbraw/zinc/50/86/46/1075508646.db2.gz WHEHTMGAXSRRTL-GFCCVEGCSA-N 1 2 410.496 1.037 20 0 HDADLO CCCNC(=O)c1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731752441 1075508719 /nfs/dbraw/zinc/50/87/19/1075508719.db2.gz GBOIUZOIEQBFJM-UHFFFAOYSA-N 1 2 410.540 1.457 20 0 HDADLO CC(=O)Nc1c(C)ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1C ZINC000731754083 1075510989 /nfs/dbraw/zinc/51/09/89/1075510989.db2.gz KSNOCFHSYPDTJR-UHFFFAOYSA-N 1 2 410.540 1.892 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000731753755 1075511243 /nfs/dbraw/zinc/51/12/43/1075511243.db2.gz AUXOXAUHMVIZBG-UHFFFAOYSA-N 1 2 424.567 1.149 20 0 HDADLO COC(=O)CCc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731755995 1075512524 /nfs/dbraw/zinc/51/25/24/1075512524.db2.gz ISDSAZQZXQLILO-UHFFFAOYSA-N 1 2 411.524 1.423 20 0 HDADLO O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676339975 1075513252 /nfs/dbraw/zinc/51/32/52/1075513252.db2.gz NDLLTSXFFJCRHH-CVEARBPZSA-N 1 2 413.565 1.224 20 0 HDADLO Cc1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nnn1-c1ccc(OC(F)F)cc1 ZINC000676340114 1075513303 /nfs/dbraw/zinc/51/33/03/1075513303.db2.gz RGUBJUFFMPDHMZ-HNNXBMFYSA-N 1 2 407.421 1.724 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cc(-c3ccccc3)on2)CC1 ZINC000731760023 1075514540 /nfs/dbraw/zinc/51/45/40/1075514540.db2.gz ZUIZFSZRBNAIJT-UHFFFAOYSA-N 1 2 406.508 1.650 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)CCO1 ZINC000731759671 1075514936 /nfs/dbraw/zinc/51/49/36/1075514936.db2.gz TYXHKOYFMVERCP-ZDUSSCGKSA-N 1 2 400.321 1.713 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC(n3cc(Br)cn3)CC2)CCO1 ZINC000731759671 1075514941 /nfs/dbraw/zinc/51/49/41/1075514941.db2.gz TYXHKOYFMVERCP-ZDUSSCGKSA-N 1 2 400.321 1.713 20 0 HDADLO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676342301 1075516754 /nfs/dbraw/zinc/51/67/54/1075516754.db2.gz ZSTHBZXCXQWTGZ-LSDHHAIUSA-N 1 2 422.323 1.735 20 0 HDADLO CCCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731765060 1075518764 /nfs/dbraw/zinc/51/87/64/1075518764.db2.gz MGEUCXIVRFQNFR-UHFFFAOYSA-N 1 2 411.524 1.039 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676334208 1075523179 /nfs/dbraw/zinc/52/31/79/1075523179.db2.gz SIUYGTKIFOSLOI-MFKMUULPSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676334208 1075523185 /nfs/dbraw/zinc/52/31/85/1075523185.db2.gz SIUYGTKIFOSLOI-MFKMUULPSA-N 1 2 401.364 1.874 20 0 HDADLO Cc1nc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)[nH+]1 ZINC000480139992 1075524462 /nfs/dbraw/zinc/52/44/62/1075524462.db2.gz PHWQWMHZWUDOER-ZIAGYGMSSA-N 1 2 403.531 1.803 20 0 HDADLO O=C(NC[C@@H](O)c1ccc2ccccc2c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731827854 1075526096 /nfs/dbraw/zinc/52/60/96/1075526096.db2.gz CJLDIQDIYSGMGR-NHCUHLMSSA-N 1 2 411.502 1.170 20 0 HDADLO CCc1ccccc1N1C[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000596034622 1075526414 /nfs/dbraw/zinc/52/64/14/1075526414.db2.gz SFGNPVPKWVCOFG-GOSISDBHSA-N 1 2 411.506 1.769 20 0 HDADLO CCc1cc2c(CN(CC[NH+]3CCOCC3)CC(=O)OC)cc(=O)oc2cc1O ZINC000731845838 1075530266 /nfs/dbraw/zinc/53/02/66/1075530266.db2.gz GQJGDJMMRKSREL-UHFFFAOYSA-N 1 2 404.463 1.368 20 0 HDADLO C[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CCN1c1nccn2cnnc12 ZINC000676357397 1075531776 /nfs/dbraw/zinc/53/17/76/1075531776.db2.gz YMHWJKBXDWUPHV-MRXNPFEDSA-N 1 2 406.494 1.360 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)c2)cc[nH+]1 ZINC000543586890 1075535798 /nfs/dbraw/zinc/53/57/98/1075535798.db2.gz CHPCLJOOAJDODQ-QFIPXVFZSA-N 1 2 422.489 1.847 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CC[S@@](=O)C[C@H]3c3cnn(C)c3)c2)cc[nH+]1 ZINC000467606795 1075537746 /nfs/dbraw/zinc/53/77/46/1075537746.db2.gz WEQFDQUQBWIZBR-ADSBAMQRSA-N 1 2 424.530 2.076 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CNc2cccc(C(F)(F)F)c2)CC1 ZINC000731839407 1075545081 /nfs/dbraw/zinc/54/50/81/1075545081.db2.gz XDGGSYIYDVPRHS-UHFFFAOYSA-N 1 2 407.458 1.743 20 0 HDADLO c1nn(-c2ccccc2)nc1Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000731842159 1075546981 /nfs/dbraw/zinc/54/69/81/1075546981.db2.gz RSULEILQMFRUIW-FQEVSTJZSA-N 1 2 402.462 1.876 20 0 HDADLO c1nn(-c2ccccc2)nc1Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000731842159 1075546984 /nfs/dbraw/zinc/54/69/84/1075546984.db2.gz RSULEILQMFRUIW-FQEVSTJZSA-N 1 2 402.462 1.876 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H](N2CCCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000466731410 1075564263 /nfs/dbraw/zinc/56/42/63/1075564263.db2.gz NKUYUQPXDFYKBP-NVXWUHKLSA-N 1 2 407.536 1.827 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000466731410 1075564267 /nfs/dbraw/zinc/56/42/67/1075564267.db2.gz NKUYUQPXDFYKBP-NVXWUHKLSA-N 1 2 407.536 1.827 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000466731410 1075564276 /nfs/dbraw/zinc/56/42/76/1075564276.db2.gz NKUYUQPXDFYKBP-NVXWUHKLSA-N 1 2 407.536 1.827 20 0 HDADLO O=C(CN1CCC[C@@H](n2cc[nH+]c2)C1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000676479062 1075566080 /nfs/dbraw/zinc/56/60/80/1075566080.db2.gz PHNILIHXVRKEEG-SJORKVTESA-N 1 2 422.576 1.797 20 0 HDADLO CCOC(=O)N1CCN(C(=O)COC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000731908667 1075566213 /nfs/dbraw/zinc/56/62/13/1075566213.db2.gz PEQUEFFLRMYGKB-IBGZPJMESA-N 1 2 405.495 1.913 20 0 HDADLO CS(=O)(=O)NCCNC(=S)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731942407 1075572279 /nfs/dbraw/zinc/57/22/79/1075572279.db2.gz CUEMFZPPZQDPIX-CQSZACIVSA-N 1 2 422.979 1.457 20 0 HDADLO CS(=O)(=O)NCCNC(=S)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731942407 1075572282 /nfs/dbraw/zinc/57/22/82/1075572282.db2.gz CUEMFZPPZQDPIX-CQSZACIVSA-N 1 2 422.979 1.457 20 0 HDADLO Cc1nn(C)c2ncc(CNc3ccc(N4CCN(S(C)(=O)=O)CC4)[nH+]c3)cc12 ZINC000676496363 1075573287 /nfs/dbraw/zinc/57/32/87/1075573287.db2.gz XXRSCFOIXGZTQP-UHFFFAOYSA-N 1 2 415.523 1.365 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccc(-n4ccnc4)cc3)c[nH+]2)CC1 ZINC000676495685 1075573596 /nfs/dbraw/zinc/57/35/96/1075573596.db2.gz PTJYTPMRNLJXIM-UHFFFAOYSA-N 1 2 412.519 1.961 20 0 HDADLO CCOC(=O)c1sc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)nc1C ZINC000731958979 1075576488 /nfs/dbraw/zinc/57/64/88/1075576488.db2.gz WWXNRWBPWGXQFU-CQSZACIVSA-N 1 2 424.523 1.280 20 0 HDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000645289458 1075580118 /nfs/dbraw/zinc/58/01/18/1075580118.db2.gz XKWBHWIRSGKLCT-LBPRGKRZSA-N 1 2 417.267 1.975 20 0 HDADLO CC[C@H]1c2ccccc2CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000676550616 1075583449 /nfs/dbraw/zinc/58/34/49/1075583449.db2.gz PYRNFHNCSURUAV-FQEVSTJZSA-N 1 2 411.506 1.690 20 0 HDADLO O=C(NC[C@@H]1CCc2ccccc2C1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000676551257 1075584097 /nfs/dbraw/zinc/58/40/97/1075584097.db2.gz ABODMBZVWWGIJF-QGZVFWFLSA-N 1 2 411.506 1.075 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000676555475 1075587409 /nfs/dbraw/zinc/58/74/09/1075587409.db2.gz XCEVDMNDJPKGRJ-INIZCTEOSA-N 1 2 419.869 1.057 20 0 HDADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676548029 1075594789 /nfs/dbraw/zinc/59/47/89/1075594789.db2.gz AVXZKYVZCGWKPF-UHFFFAOYSA-N 1 2 419.420 1.906 20 0 HDADLO CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000676547709 1075595139 /nfs/dbraw/zinc/59/51/39/1075595139.db2.gz CVSYRGAKPWNAAY-UHFFFAOYSA-N 1 2 417.485 1.732 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000732056359 1075596093 /nfs/dbraw/zinc/59/60/93/1075596093.db2.gz BSFLCBIUJGDTTI-UHFFFAOYSA-N 1 2 402.373 1.301 20 0 HDADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N(C)CCOc1ccccc1F ZINC000462560411 1075596785 /nfs/dbraw/zinc/59/67/85/1075596785.db2.gz VALDLUBPLDRJMR-OAHLLOKOSA-N 1 2 400.454 2.506 20 0 HDADLO CCOC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732165201 1075644095 /nfs/dbraw/zinc/64/40/95/1075644095.db2.gz JOFAAGQYKKOOSD-FQEVSTJZSA-N 1 2 403.523 1.915 20 0 HDADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000732187369 1075654018 /nfs/dbraw/zinc/65/40/18/1075654018.db2.gz SBFFJNXNOUOAPF-WMZHIEFXSA-N 1 2 410.518 1.987 20 0 HDADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000732187369 1075654019 /nfs/dbraw/zinc/65/40/19/1075654019.db2.gz SBFFJNXNOUOAPF-WMZHIEFXSA-N 1 2 410.518 1.987 20 0 HDADLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000676717120 1075659110 /nfs/dbraw/zinc/65/91/10/1075659110.db2.gz BGEDPAVMWGWYDC-MRXNPFEDSA-N 1 2 400.874 1.997 20 0 HDADLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000676717120 1075659114 /nfs/dbraw/zinc/65/91/14/1075659114.db2.gz BGEDPAVMWGWYDC-MRXNPFEDSA-N 1 2 400.874 1.997 20 0 HDADLO CCOC(=O)C1=C(C[N@H+](C)CCn2cccn2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000732209801 1075666366 /nfs/dbraw/zinc/66/63/66/1075666366.db2.gz SRQMHMHTHJGYGM-LJQANCHMSA-N 1 2 413.478 1.695 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+](C)CCn2cccn2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000732209801 1075666373 /nfs/dbraw/zinc/66/63/73/1075666373.db2.gz SRQMHMHTHJGYGM-LJQANCHMSA-N 1 2 413.478 1.695 20 0 HDADLO CCOC(=O)C1C(C[N@H+](C)CCn2cccn2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000732209801 1075666377 /nfs/dbraw/zinc/66/63/77/1075666377.db2.gz SRQMHMHTHJGYGM-LJQANCHMSA-N 1 2 413.478 1.695 20 0 HDADLO CCOC(=O)C1C(C[N@@H+](C)CCn2cccn2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000732209801 1075666380 /nfs/dbraw/zinc/66/63/80/1075666380.db2.gz SRQMHMHTHJGYGM-LJQANCHMSA-N 1 2 413.478 1.695 20 0 HDADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000732210813 1075666706 /nfs/dbraw/zinc/66/67/06/1075666706.db2.gz LRAOGAPMKQUYGH-QGZVFWFLSA-N 1 2 416.522 1.535 20 0 HDADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000732210813 1075666709 /nfs/dbraw/zinc/66/67/09/1075666709.db2.gz LRAOGAPMKQUYGH-QGZVFWFLSA-N 1 2 416.522 1.535 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1 ZINC000732210689 1075667282 /nfs/dbraw/zinc/66/72/82/1075667282.db2.gz CWJLONNYVHEAGV-KRWDZBQOSA-N 1 2 422.551 1.352 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1 ZINC000732210689 1075667283 /nfs/dbraw/zinc/66/72/83/1075667283.db2.gz CWJLONNYVHEAGV-KRWDZBQOSA-N 1 2 422.551 1.352 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)C1 ZINC000676737637 1075670472 /nfs/dbraw/zinc/67/04/72/1075670472.db2.gz CASGRQBVEPSXDC-OALUTQOASA-N 1 2 409.552 1.762 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)C1 ZINC000676737637 1075670475 /nfs/dbraw/zinc/67/04/75/1075670475.db2.gz CASGRQBVEPSXDC-OALUTQOASA-N 1 2 409.552 1.762 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)C1 ZINC000676738371 1075671029 /nfs/dbraw/zinc/67/10/29/1075671029.db2.gz PKINIBQLZDOAHO-FQEVSTJZSA-N 1 2 407.580 1.790 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC(CCc3ccc(C)cc3)CC2)C1 ZINC000676738371 1075671037 /nfs/dbraw/zinc/67/10/37/1075671037.db2.gz PKINIBQLZDOAHO-FQEVSTJZSA-N 1 2 407.580 1.790 20 0 HDADLO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000732204593 1075676107 /nfs/dbraw/zinc/67/61/07/1075676107.db2.gz OIINFRTXWFGMBI-HXUWFJFHSA-N 1 2 424.505 1.531 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000732302558 1075693976 /nfs/dbraw/zinc/69/39/76/1075693976.db2.gz JLYHCZAHZXDFHU-ZACQAIPSSA-N 1 2 413.440 1.503 20 0 HDADLO CCCCNc1cc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nc(N)[nH+]1 ZINC000568790417 1075694088 /nfs/dbraw/zinc/69/40/88/1075694088.db2.gz CZPOJLREJCXYLM-UHFFFAOYSA-N 1 2 420.539 1.790 20 0 HDADLO CCCCNc1cc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)[nH+]c(N)n1 ZINC000568790417 1075694089 /nfs/dbraw/zinc/69/40/89/1075694089.db2.gz CZPOJLREJCXYLM-UHFFFAOYSA-N 1 2 420.539 1.790 20 0 HDADLO COCCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)n1 ZINC001084992505 1075697740 /nfs/dbraw/zinc/69/77/40/1075697740.db2.gz DKWPPUCJYCPZHO-KKTQNZDYSA-N 1 2 402.495 1.105 20 0 HDADLO COCCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)n1 ZINC001084992505 1075697742 /nfs/dbraw/zinc/69/77/42/1075697742.db2.gz DKWPPUCJYCPZHO-KKTQNZDYSA-N 1 2 402.495 1.105 20 0 HDADLO CN(C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)c1nccs1 ZINC001084993198 1075699736 /nfs/dbraw/zinc/69/97/36/1075699736.db2.gz RJEQCCWHTPHOQO-HQERQYKXSA-N 1 2 416.547 1.452 20 0 HDADLO CN(C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21)c1nccs1 ZINC001084993198 1075699739 /nfs/dbraw/zinc/69/97/39/1075699739.db2.gz RJEQCCWHTPHOQO-HQERQYKXSA-N 1 2 416.547 1.452 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000429468145 1075700500 /nfs/dbraw/zinc/70/05/00/1075700500.db2.gz KCAAHELXSBIIHH-UKAVVXHISA-N 1 2 414.550 1.928 20 0 HDADLO Cn1ccnc1[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000608313108 1075716289 /nfs/dbraw/zinc/71/62/89/1075716289.db2.gz JXDLUTAJRSSLQA-LJQANCHMSA-N 1 2 409.494 1.860 20 0 HDADLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3nc(N)nc(N4CCOCC4)n3)n2)C1 ZINC000561103538 1075718991 /nfs/dbraw/zinc/71/89/91/1075718991.db2.gz JXQKMJBLPUHOPS-LBPRGKRZSA-N 1 2 418.527 1.231 20 0 HDADLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nc(N)nc(N4CCOCC4)n3)n2)C1 ZINC000561103538 1075718996 /nfs/dbraw/zinc/71/89/96/1075718996.db2.gz JXQKMJBLPUHOPS-LBPRGKRZSA-N 1 2 418.527 1.231 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000732453090 1075742346 /nfs/dbraw/zinc/74/23/46/1075742346.db2.gz SGVZVEFFCCHWKL-DNVCBOLYSA-N 1 2 416.588 1.749 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)NC1CCC2(CC1)OCCO2 ZINC000732446299 1075747456 /nfs/dbraw/zinc/74/74/56/1075747456.db2.gz LAHHJXHJZCIFRK-HXUWFJFHSA-N 1 2 403.523 1.915 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000435078632 1075766183 /nfs/dbraw/zinc/76/61/83/1075766183.db2.gz INXZVLWMQUQLQS-HNNXBMFYSA-N 1 2 423.564 1.987 20 0 HDADLO CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448478597 1075767030 /nfs/dbraw/zinc/76/70/30/1075767030.db2.gz OHNMWINAJKYKDL-UHFFFAOYSA-N 1 2 423.876 1.605 20 0 HDADLO Nc1nsc(N2CC[NH+](Cc3ccccc3OCC(=O)N3CCCC3)CC2)n1 ZINC000537690560 1075771825 /nfs/dbraw/zinc/77/18/25/1075771825.db2.gz ZFSJWKASXVRSCH-UHFFFAOYSA-N 1 2 402.524 1.444 20 0 HDADLO CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000732539918 1075781561 /nfs/dbraw/zinc/78/15/61/1075781561.db2.gz TUKZLLZCQJOLDC-UHFFFAOYSA-N 1 2 410.471 1.400 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)[C@H](C)C1 ZINC000466645583 1075783115 /nfs/dbraw/zinc/78/31/15/1075783115.db2.gz WNYCQOQPIDZEFY-OAHLLOKOSA-N 1 2 415.490 1.630 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)[C@H](C)C1 ZINC000466645583 1075783119 /nfs/dbraw/zinc/78/31/19/1075783119.db2.gz WNYCQOQPIDZEFY-OAHLLOKOSA-N 1 2 415.490 1.630 20 0 HDADLO CC(C)(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1=CCCCC1 ZINC000477667530 1075794807 /nfs/dbraw/zinc/79/48/07/1075794807.db2.gz VWEQNCJQHAFLAB-UHFFFAOYSA-N 1 2 403.527 1.797 20 0 HDADLO CC(C)(CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Oc1cc(F)cc(F)c1 ZINC000554475248 1075795359 /nfs/dbraw/zinc/79/53/59/1075795359.db2.gz KLJQPPVQIDIRDH-UHFFFAOYSA-N 1 2 423.464 2.473 20 0 HDADLO Cn1nnc2c1nccc2C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000509273383 1075797664 /nfs/dbraw/zinc/79/76/64/1075797664.db2.gz ZGUQRGGMACCPLU-CVEARBPZSA-N 1 2 400.870 1.818 20 0 HDADLO Cn1nnc2c1nccc2C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000509273383 1075797666 /nfs/dbraw/zinc/79/76/66/1075797666.db2.gz ZGUQRGGMACCPLU-CVEARBPZSA-N 1 2 400.870 1.818 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000483587523 1075797808 /nfs/dbraw/zinc/79/78/08/1075797808.db2.gz UJKGVMSSIYYFEL-BBRMVZONSA-N 1 2 413.375 1.927 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000483587523 1075797814 /nfs/dbraw/zinc/79/78/14/1075797814.db2.gz UJKGVMSSIYYFEL-BBRMVZONSA-N 1 2 413.375 1.927 20 0 HDADLO Cn1nnc2c1nccc2C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000509273391 1075797828 /nfs/dbraw/zinc/79/78/28/1075797828.db2.gz ZGUQRGGMACCPLU-JKSUJKDBSA-N 1 2 400.870 1.818 20 0 HDADLO Cn1nnc2c1nccc2C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000509273391 1075797832 /nfs/dbraw/zinc/79/78/32/1075797832.db2.gz ZGUQRGGMACCPLU-JKSUJKDBSA-N 1 2 400.870 1.818 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000041952319 1075800939 /nfs/dbraw/zinc/80/09/39/1075800939.db2.gz AXKBZJIRYUXSND-QGZVFWFLSA-N 1 2 403.504 1.273 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000041952319 1075800945 /nfs/dbraw/zinc/80/09/45/1075800945.db2.gz AXKBZJIRYUXSND-QGZVFWFLSA-N 1 2 403.504 1.273 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000041952323 1075801091 /nfs/dbraw/zinc/80/10/91/1075801091.db2.gz AXKBZJIRYUXSND-KRWDZBQOSA-N 1 2 403.504 1.273 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000041952323 1075801097 /nfs/dbraw/zinc/80/10/97/1075801097.db2.gz AXKBZJIRYUXSND-KRWDZBQOSA-N 1 2 403.504 1.273 20 0 HDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000017114716 1075807060 /nfs/dbraw/zinc/80/70/60/1075807060.db2.gz AOIFUUNEBNTYPY-UHFFFAOYSA-N 1 2 422.576 1.825 20 0 HDADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)C[C@H]1C ZINC000611083649 1075831579 /nfs/dbraw/zinc/83/15/79/1075831579.db2.gz RCGKGWDAPDBDPQ-LLVKDONJSA-N 1 2 405.314 1.950 20 0 HDADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)C[C@H]1C ZINC000611083649 1075831585 /nfs/dbraw/zinc/83/15/85/1075831585.db2.gz RCGKGWDAPDBDPQ-LLVKDONJSA-N 1 2 405.314 1.950 20 0 HDADLO O=Cc1n[nH]c2cc(C(=O)OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000766183917 1075850383 /nfs/dbraw/zinc/85/03/83/1075850383.db2.gz HKNFCQHYHNOHGY-UHFFFAOYSA-N 1 2 406.442 1.877 20 0 HDADLO O=Cc1[nH]nc2cc(C(=O)OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000766183917 1075850388 /nfs/dbraw/zinc/85/03/88/1075850388.db2.gz HKNFCQHYHNOHGY-UHFFFAOYSA-N 1 2 406.442 1.877 20 0 HDADLO COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000611138202 1075858031 /nfs/dbraw/zinc/85/80/31/1075858031.db2.gz JFLVGWMFINZDOF-JOCHJYFZSA-N 1 2 408.458 1.952 20 0 HDADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732809932 1075871950 /nfs/dbraw/zinc/87/19/50/1075871950.db2.gz PZODZEFUHPCXQB-KRWDZBQOSA-N 1 2 416.522 1.381 20 0 HDADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732809932 1075871955 /nfs/dbraw/zinc/87/19/55/1075871955.db2.gz PZODZEFUHPCXQB-KRWDZBQOSA-N 1 2 416.522 1.381 20 0 HDADLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732812358 1075873108 /nfs/dbraw/zinc/87/31/08/1075873108.db2.gz CJSTZAGLFOIXTF-SWLSCSKDSA-N 1 2 415.412 1.573 20 0 HDADLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732812358 1075873112 /nfs/dbraw/zinc/87/31/12/1075873112.db2.gz CJSTZAGLFOIXTF-SWLSCSKDSA-N 1 2 415.412 1.573 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](O)c3ccccc3C)cc2)CC1 ZINC000732896400 1075897714 /nfs/dbraw/zinc/89/77/14/1075897714.db2.gz FXXVMBAHMYQFAN-JOCHJYFZSA-N 1 2 424.545 1.921 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1CC1(Cl)Cl ZINC000732915534 1075911932 /nfs/dbraw/zinc/91/19/32/1075911932.db2.gz LHBJEBKJPMTAGO-OLZOCXBDSA-N 1 2 400.310 1.592 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1CC1(Cl)Cl ZINC000732915534 1075911935 /nfs/dbraw/zinc/91/19/35/1075911935.db2.gz LHBJEBKJPMTAGO-OLZOCXBDSA-N 1 2 400.310 1.592 20 0 HDADLO O=C(/C=C/C1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732917151 1075913404 /nfs/dbraw/zinc/91/34/04/1075913404.db2.gz ZTUOVJOTMZKNFA-OAJJDEHYSA-N 1 2 401.511 1.381 20 0 HDADLO O=C(/C=C/C1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732917151 1075913408 /nfs/dbraw/zinc/91/34/08/1075913408.db2.gz ZTUOVJOTMZKNFA-OAJJDEHYSA-N 1 2 401.511 1.381 20 0 HDADLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000611370536 1075915539 /nfs/dbraw/zinc/91/55/39/1075915539.db2.gz ZISSRDFZKOFPBE-UHFFFAOYSA-N 1 2 420.535 1.131 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000611375632 1075923841 /nfs/dbraw/zinc/92/38/41/1075923841.db2.gz ZKEFPVQCAKJZSK-HNNXBMFYSA-N 1 2 407.492 1.741 20 0 HDADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000611375632 1075923843 /nfs/dbraw/zinc/92/38/43/1075923843.db2.gz ZKEFPVQCAKJZSK-HNNXBMFYSA-N 1 2 407.492 1.741 20 0 HDADLO COC(=O)C1=C(C[N@H+](C)CCN2CCCC2=O)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000732984765 1075937730 /nfs/dbraw/zinc/93/77/30/1075937730.db2.gz DVUNDZBASLTONS-LJQANCHMSA-N 1 2 400.479 1.364 20 0 HDADLO COC(=O)C1=C(C[N@@H+](C)CCN2CCCC2=O)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000732984765 1075937732 /nfs/dbraw/zinc/93/77/32/1075937732.db2.gz DVUNDZBASLTONS-LJQANCHMSA-N 1 2 400.479 1.364 20 0 HDADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732992488 1075942047 /nfs/dbraw/zinc/94/20/47/1075942047.db2.gz VWWBKJSGDXVKGX-UHFFFAOYSA-N 1 2 419.498 1.326 20 0 HDADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611540686 1075956875 /nfs/dbraw/zinc/95/68/75/1075956875.db2.gz NSFDCNYWDWQONA-GJZGRUSLSA-N 1 2 424.544 1.908 20 0 HDADLO COC(=O)CNC(=O)CC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000611531443 1075958512 /nfs/dbraw/zinc/95/85/12/1075958512.db2.gz GFTHXAQVXBGRMS-SFHVURJKSA-N 1 2 400.479 1.542 20 0 HDADLO COC(=O)CNC(=O)CC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000611531443 1075958516 /nfs/dbraw/zinc/95/85/16/1075958516.db2.gz GFTHXAQVXBGRMS-SFHVURJKSA-N 1 2 400.479 1.542 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000733042904 1075963400 /nfs/dbraw/zinc/96/34/00/1075963400.db2.gz XETIXSSUZGVGBN-UHFFFAOYSA-N 1 2 405.471 1.563 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080163433 1075983515 /nfs/dbraw/zinc/98/35/15/1075983515.db2.gz GWWWDENACGXYQT-TYAFSRFKSA-N 1 2 409.530 1.974 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080163433 1075983522 /nfs/dbraw/zinc/98/35/22/1075983522.db2.gz GWWWDENACGXYQT-TYAFSRFKSA-N 1 2 409.530 1.974 20 0 HDADLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001080159809 1075983593 /nfs/dbraw/zinc/98/35/93/1075983593.db2.gz WQIHGXHLUSJKEI-JYEJUDTESA-N 1 2 413.518 1.884 20 0 HDADLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001080159809 1075983596 /nfs/dbraw/zinc/98/35/96/1075983596.db2.gz WQIHGXHLUSJKEI-JYEJUDTESA-N 1 2 413.518 1.884 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000733151696 1075987105 /nfs/dbraw/zinc/98/71/05/1075987105.db2.gz LFSWVGUYOTUVJZ-CQHJRZBDSA-N 1 2 407.518 1.605 20 0 HDADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000095350588 1075998315 /nfs/dbraw/zinc/99/83/15/1075998315.db2.gz UWDYCRMEXGYJDB-KIUWMYQTSA-N 1 2 400.454 1.142 20 0 HDADLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973601 1076021212 /nfs/dbraw/zinc/02/12/12/1076021212.db2.gz PFEWCDNCOWLUIM-LAWJPMAJSA-N 1 2 400.928 1.768 20 0 HDADLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973601 1076021218 /nfs/dbraw/zinc/02/12/18/1076021218.db2.gz PFEWCDNCOWLUIM-LAWJPMAJSA-N 1 2 400.928 1.768 20 0 HDADLO Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c[nH+]1 ZINC001082192432 1076024378 /nfs/dbraw/zinc/02/43/78/1076024378.db2.gz JHNOVSBESLKKDD-WXJALIKYSA-N 1 2 400.523 1.847 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)C1=O ZINC000733293323 1076041115 /nfs/dbraw/zinc/04/11/15/1076041115.db2.gz LRALTSNPSZNBGY-GOSISDBHSA-N 1 2 409.874 1.300 20 0 HDADLO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000727137618 1076051771 /nfs/dbraw/zinc/05/17/71/1076051771.db2.gz UURIMYWAYQSNCE-OAHLLOKOSA-N 1 2 422.555 1.025 20 0 HDADLO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1nnc(C(F)F)s1 ZINC001082658372 1076062505 /nfs/dbraw/zinc/06/25/05/1076062505.db2.gz ZYGJCRGUOLECAQ-OIRVYTLQSA-N 1 2 402.467 1.464 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(C(=O)Cn3c4ccccc4c(=O)[nH]c3=O)CC2)cc1 ZINC000021476661 1076062929 /nfs/dbraw/zinc/06/29/29/1076062929.db2.gz GBZAOUUOBVEFTG-UHFFFAOYSA-N 1 2 422.485 1.433 20 0 HDADLO CCC[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000727227004 1076084930 /nfs/dbraw/zinc/08/49/30/1076084930.db2.gz KWDMYRGICWYNRU-WBVHZDCISA-N 1 2 408.568 1.821 20 0 HDADLO CCC[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000727227004 1076084938 /nfs/dbraw/zinc/08/49/38/1076084938.db2.gz KWDMYRGICWYNRU-WBVHZDCISA-N 1 2 408.568 1.821 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCCO[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000727437140 1076119568 /nfs/dbraw/zinc/11/95/68/1076119568.db2.gz FCGREHCSTLQVCW-IFXJQAMLSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCCO[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000727437140 1076119575 /nfs/dbraw/zinc/11/95/75/1076119575.db2.gz FCGREHCSTLQVCW-IFXJQAMLSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCCO[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000727437140 1076119584 /nfs/dbraw/zinc/11/95/84/1076119584.db2.gz FCGREHCSTLQVCW-IFXJQAMLSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCCO[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000727437140 1076119589 /nfs/dbraw/zinc/11/95/89/1076119589.db2.gz FCGREHCSTLQVCW-IFXJQAMLSA-N 1 2 403.479 1.977 20 0 HDADLO O=C(COC[C@@H]1CCCO1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000733597727 1076122833 /nfs/dbraw/zinc/12/28/33/1076122833.db2.gz RPHNNXXRIYPUGT-IBGZPJMESA-N 1 2 418.490 1.005 20 0 HDADLO CO[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C(F)(F)F ZINC000733672919 1076155626 /nfs/dbraw/zinc/15/56/26/1076155626.db2.gz APANVIGNRIRZIX-HNNXBMFYSA-N 1 2 402.417 1.066 20 0 HDADLO CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000727730999 1076213365 /nfs/dbraw/zinc/21/33/65/1076213365.db2.gz PWCWHJYNOGKYNA-NRFANRHFSA-N 1 2 420.558 1.798 20 0 HDADLO NS(=O)(=O)c1ccc(OCCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000727756855 1076231002 /nfs/dbraw/zinc/23/10/02/1076231002.db2.gz HSQNNGUMZQWPCW-UHFFFAOYSA-N 1 2 418.450 1.744 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCCCCn3cc[nH+]c3)C2)no1 ZINC000532807893 1076239281 /nfs/dbraw/zinc/23/92/81/1076239281.db2.gz KXIZUSXMRXVEMS-INIZCTEOSA-N 1 2 403.487 1.441 20 0 HDADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000533358312 1076243013 /nfs/dbraw/zinc/24/30/13/1076243013.db2.gz ZABAZRVBXZHVBP-GGPKGHCWSA-N 1 2 415.538 1.324 20 0 HDADLO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000533829125 1076245220 /nfs/dbraw/zinc/24/52/20/1076245220.db2.gz MJCLBRIJRYMRNA-LJQANCHMSA-N 1 2 419.485 1.726 20 0 HDADLO Cc1c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000533829125 1076245222 /nfs/dbraw/zinc/24/52/22/1076245222.db2.gz MJCLBRIJRYMRNA-LJQANCHMSA-N 1 2 419.485 1.726 20 0 HDADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000534530478 1076247485 /nfs/dbraw/zinc/24/74/85/1076247485.db2.gz DPBGNEVNOLOFRB-GOSISDBHSA-N 1 2 403.504 1.796 20 0 HDADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534530478 1076247491 /nfs/dbraw/zinc/24/74/91/1076247491.db2.gz DPBGNEVNOLOFRB-GOSISDBHSA-N 1 2 403.504 1.796 20 0 HDADLO Cn1ncnc1COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535264163 1076250491 /nfs/dbraw/zinc/25/04/91/1076250491.db2.gz CZFHDJQZZVJDQP-IBGZPJMESA-N 1 2 413.503 1.859 20 0 HDADLO Cn1ncnc1COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535264163 1076250494 /nfs/dbraw/zinc/25/04/94/1076250494.db2.gz CZFHDJQZZVJDQP-IBGZPJMESA-N 1 2 413.503 1.859 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1 ZINC000535275173 1076251232 /nfs/dbraw/zinc/25/12/32/1076251232.db2.gz DYCMKZRUFDHUFQ-OAHLLOKOSA-N 1 2 408.380 1.652 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1 ZINC000535275173 1076251236 /nfs/dbraw/zinc/25/12/36/1076251236.db2.gz DYCMKZRUFDHUFQ-OAHLLOKOSA-N 1 2 408.380 1.652 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000536071581 1076255118 /nfs/dbraw/zinc/25/51/18/1076255118.db2.gz VTITTWFHAUSDFR-IBGZPJMESA-N 1 2 417.469 1.584 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000536071581 1076255121 /nfs/dbraw/zinc/25/51/21/1076255121.db2.gz VTITTWFHAUSDFR-IBGZPJMESA-N 1 2 417.469 1.584 20 0 HDADLO NS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000733895427 1076255795 /nfs/dbraw/zinc/25/57/95/1076255795.db2.gz VBONQQWLHWSMTC-HNNXBMFYSA-N 1 2 422.551 1.298 20 0 HDADLO NS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000733895427 1076255802 /nfs/dbraw/zinc/25/58/02/1076255802.db2.gz VBONQQWLHWSMTC-HNNXBMFYSA-N 1 2 422.551 1.298 20 0 HDADLO CC(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C(=O)N3CCOCC3)CC1)C2=O ZINC000727817308 1076261958 /nfs/dbraw/zinc/26/19/58/1076261958.db2.gz RJUUSKNLSONZLI-UHFFFAOYSA-N 1 2 420.554 1.652 20 0 HDADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NC3CCC4(CC3)OCCO4)c2)CC1 ZINC000144545030 1076262754 /nfs/dbraw/zinc/26/27/54/1076262754.db2.gz RIKMCDBCAVWRIQ-UHFFFAOYSA-N 1 2 416.522 1.174 20 0 HDADLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000727818478 1076266896 /nfs/dbraw/zinc/26/68/96/1076266896.db2.gz BSGDVNIYPDOXFW-UHFFFAOYSA-N 1 2 421.885 1.444 20 0 HDADLO Cc1csc(=O)n1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@H]2C1 ZINC001083088693 1076287946 /nfs/dbraw/zinc/28/79/46/1076287946.db2.gz ZXJMQQSXJYOQID-MTHXSQLBSA-N 1 2 403.548 1.732 20 0 HDADLO Cc1csc(=O)n1CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@H]2C1 ZINC001083088693 1076287956 /nfs/dbraw/zinc/28/79/56/1076287956.db2.gz ZXJMQQSXJYOQID-MTHXSQLBSA-N 1 2 403.548 1.732 20 0 HDADLO Nc1nc(Cl)ccc1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000734031180 1076293960 /nfs/dbraw/zinc/29/39/60/1076293960.db2.gz AEKZBJQYSSXMLA-UHFFFAOYSA-N 1 2 404.854 1.945 20 0 HDADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000734072765 1076301103 /nfs/dbraw/zinc/30/11/03/1076301103.db2.gz AHEXLHWOACQKEZ-UHFFFAOYSA-N 1 2 412.471 1.839 20 0 HDADLO CCN(CC(=O)NC(C)C)C(=O)CN1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000022924648 1076319781 /nfs/dbraw/zinc/31/97/81/1076319781.db2.gz QOSVQWZXJQZSFZ-UHFFFAOYSA-N 1 2 404.555 1.494 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](OC)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000728056385 1076323263 /nfs/dbraw/zinc/32/32/63/1076323263.db2.gz SNLNVQYJEOOXQF-LPHOPBHVSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCC[C@H](OC)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000728056385 1076323268 /nfs/dbraw/zinc/32/32/68/1076323268.db2.gz SNLNVQYJEOOXQF-LPHOPBHVSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](OC)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000728056385 1076323274 /nfs/dbraw/zinc/32/32/74/1076323274.db2.gz SNLNVQYJEOOXQF-LPHOPBHVSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](OC)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000728056385 1076323280 /nfs/dbraw/zinc/32/32/80/1076323280.db2.gz SNLNVQYJEOOXQF-LPHOPBHVSA-N 1 2 403.479 1.977 20 0 HDADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728139371 1076341329 /nfs/dbraw/zinc/34/13/29/1076341329.db2.gz PDAXCSOHAHVLEO-UHFFFAOYSA-N 1 2 415.469 1.493 20 0 HDADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@]4(O)CCSC4)CC3)n2)cc1 ZINC000497922111 1076353386 /nfs/dbraw/zinc/35/33/86/1076353386.db2.gz MTDHVWVGKJTMPN-NRFANRHFSA-N 1 2 416.547 1.990 20 0 HDADLO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(=O)[nH]c1=O ZINC000027570764 1076360356 /nfs/dbraw/zinc/36/03/56/1076360356.db2.gz KAMQKMCVZDHUKL-AWEZNQCLSA-N 1 2 413.478 1.062 20 0 HDADLO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(=O)[nH]c1=O ZINC000027570764 1076360361 /nfs/dbraw/zinc/36/03/61/1076360361.db2.gz KAMQKMCVZDHUKL-AWEZNQCLSA-N 1 2 413.478 1.062 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)C(=O)N(CCC4=CCCCC4)C3=O)CC2)cn1 ZINC000729988720 1076408323 /nfs/dbraw/zinc/40/83/23/1076408323.db2.gz MMPWVTNODOPAKL-UHFFFAOYSA-N 1 2 414.510 1.177 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000730105348 1076458018 /nfs/dbraw/zinc/45/80/18/1076458018.db2.gz FNVNFTCBHMZPNH-UHFFFAOYSA-N 1 2 409.490 1.892 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)N/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000730203969 1076482504 /nfs/dbraw/zinc/48/25/04/1076482504.db2.gz ZVIIEKQIHPQKKP-AWZALFRUSA-N 1 2 405.502 1.835 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000730228431 1076486359 /nfs/dbraw/zinc/48/63/59/1076486359.db2.gz UHHURFAACPRCIT-QUCCMNQESA-N 1 2 402.539 1.930 20 0 HDADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000730263012 1076503150 /nfs/dbraw/zinc/50/31/50/1076503150.db2.gz BSGQCCVIGCFAMB-CQSZACIVSA-N 1 2 423.510 1.928 20 0 HDADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000730263012 1076503162 /nfs/dbraw/zinc/50/31/62/1076503162.db2.gz BSGQCCVIGCFAMB-CQSZACIVSA-N 1 2 423.510 1.928 20 0 HDADLO CC1CC[NH+]([C@@H](CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c2cccs2)CC1 ZINC000730517756 1076584788 /nfs/dbraw/zinc/58/47/88/1076584788.db2.gz SHSPLWKAWIIUON-HNNXBMFYSA-N 1 2 400.508 1.722 20 0 HDADLO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cn1[nH]cc3c(=O)ncnc1-3)c1ccccc1O2 ZINC000730526514 1076589347 /nfs/dbraw/zinc/58/93/47/1076589347.db2.gz JHZSYBVGUMQWAH-INIZCTEOSA-N 1 2 408.462 1.176 20 0 HDADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000730571341 1076605751 /nfs/dbraw/zinc/60/57/51/1076605751.db2.gz QHMLRWDEVGVKMU-QGZVFWFLSA-N 1 2 423.583 1.511 20 0 HDADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000730571341 1076605755 /nfs/dbraw/zinc/60/57/55/1076605755.db2.gz QHMLRWDEVGVKMU-QGZVFWFLSA-N 1 2 423.583 1.511 20 0 HDADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000730570701 1076606322 /nfs/dbraw/zinc/60/63/22/1076606322.db2.gz KMZQAKYKKXXDAX-MRXNPFEDSA-N 1 2 402.520 1.797 20 0 HDADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000730570701 1076606329 /nfs/dbraw/zinc/60/63/29/1076606329.db2.gz KMZQAKYKKXXDAX-MRXNPFEDSA-N 1 2 402.520 1.797 20 0 HDADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(OC(C)C)CC2)C1=O ZINC000730570574 1076606526 /nfs/dbraw/zinc/60/65/26/1076606526.db2.gz MZAGDUVHSDEXQW-OAQYLSRUSA-N 1 2 402.495 1.764 20 0 HDADLO CCOC(=O)Nc1ccc(OC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000730784276 1076656935 /nfs/dbraw/zinc/65/69/35/1076656935.db2.gz RUSFOYOOTJIRNW-OAHLLOKOSA-N 1 2 405.451 1.341 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CCOC)C3)cc2[nH]c1=S ZINC000730785478 1076656947 /nfs/dbraw/zinc/65/69/47/1076656947.db2.gz BREGENYHKZIELJ-HNNXBMFYSA-N 1 2 420.535 1.172 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)cc2[nH]c1=S ZINC000730785478 1076656949 /nfs/dbraw/zinc/65/69/49/1076656949.db2.gz BREGENYHKZIELJ-HNNXBMFYSA-N 1 2 420.535 1.172 20 0 HDADLO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000730937058 1076697502 /nfs/dbraw/zinc/69/75/02/1076697502.db2.gz PRUXYARBPUEUIB-AWEZNQCLSA-N 1 2 404.536 1.793 20 0 HDADLO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000730937058 1076697503 /nfs/dbraw/zinc/69/75/03/1076697503.db2.gz PRUXYARBPUEUIB-AWEZNQCLSA-N 1 2 404.536 1.793 20 0 HDADLO Cc1ccc(C(=O)N2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)cc1F ZINC000730937992 1076698041 /nfs/dbraw/zinc/69/80/41/1076698041.db2.gz NJQVPRJUOAVKIM-UHFFFAOYSA-N 1 2 405.495 1.782 20 0 HDADLO CCn1c(N)c(C(=O)C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(=O)[nH]c1=O ZINC000731037800 1076715803 /nfs/dbraw/zinc/71/58/03/1076715803.db2.gz KWOJQZLADLSDOE-KRWDZBQOSA-N 1 2 404.442 1.318 20 0 HDADLO CCc1ncc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)s1 ZINC000519837081 569016356 /nfs/dbraw/zinc/01/63/56/569016356.db2.gz SWKAZUUSCDQLHS-AWEZNQCLSA-N 1 2 416.551 1.282 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)ncc3C(=O)OC)CC2)C1=O ZINC001164640244 719267851 /nfs/dbraw/zinc/26/78/51/719267851.db2.gz RVQTYFPYVDADHS-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)ncc3C(=O)OC)CC2)C1=O ZINC001164640244 719267853 /nfs/dbraw/zinc/26/78/53/719267853.db2.gz RVQTYFPYVDADHS-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(NCC2CC2)n1 ZINC001164703302 719837289 /nfs/dbraw/zinc/83/72/89/719837289.db2.gz QAKGFFHARQIAGR-DYESRHJHSA-N 1 2 403.527 1.840 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(OC)c(NC(C)C)n1 ZINC001164698642 719837432 /nfs/dbraw/zinc/83/74/32/719837432.db2.gz GLDOASKSZIGEBI-MGPUTAFESA-N 1 2 407.515 1.538 20 0 HDADLO COC(=O)c1cnc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164696908 719839498 /nfs/dbraw/zinc/83/94/98/719839498.db2.gz BFASIEKAHKHYBK-DJJJIMSYSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncc1Cl ZINC001164701615 719841799 /nfs/dbraw/zinc/84/17/99/719841799.db2.gz MNIRYAVPMXASIJ-ORAYPTAESA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccnc21 ZINC001164700471 719846063 /nfs/dbraw/zinc/84/60/63/719846063.db2.gz KVOBZYXXXMUYHV-DJJJIMSYSA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2ncnc(Cl)c2n1 ZINC001164705558 719861802 /nfs/dbraw/zinc/86/18/02/719861802.db2.gz UFMSBUSHZUOXNM-KZULUSFZSA-N 1 2 406.874 1.306 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(N2CCOCC2)n1 ZINC001164698722 719862807 /nfs/dbraw/zinc/86/28/07/719862807.db2.gz DCIGFPNYYWBQEI-LAUBAEHRSA-N 1 2 404.511 1.151 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)OC(C)C ZINC001164701206 719876590 /nfs/dbraw/zinc/87/65/90/719876590.db2.gz FXVJYZUPZMALJD-KKSFZXQISA-N 1 2 405.495 1.880 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc[n+]([O-])c(Cl)c1 ZINC001164699005 719879672 /nfs/dbraw/zinc/87/96/72/719879672.db2.gz GOMPEOFUXAUQKT-WMLDXEAASA-N 1 2 419.856 1.751 20 0 HDADLO CCOC(=O)c1c(C)cc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1C ZINC001164718639 720261025 /nfs/dbraw/zinc/26/10/25/720261025.db2.gz GGCBNXLDQSPVTR-JOCHJYFZSA-N 1 2 418.538 1.540 20 0 HDADLO CCOC(=O)c1c(C)cc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1C ZINC001164718639 720261032 /nfs/dbraw/zinc/26/10/32/720261032.db2.gz GGCBNXLDQSPVTR-JOCHJYFZSA-N 1 2 418.538 1.540 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(nc3Cl)CCCC4)C2)C1 ZINC001164724977 720308227 /nfs/dbraw/zinc/30/82/27/720308227.db2.gz UGESGWSOVWNZFW-HXUWFJFHSA-N 1 2 407.946 1.674 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(nc3Cl)CCCC4)C2)C1 ZINC001164724977 720308233 /nfs/dbraw/zinc/30/82/33/720308233.db2.gz UGESGWSOVWNZFW-HXUWFJFHSA-N 1 2 407.946 1.674 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3sccc31)C2 ZINC001164822167 720429042 /nfs/dbraw/zinc/42/90/42/720429042.db2.gz CAEFLOHNFGRSAC-OAHLLOKOSA-N 1 2 414.535 1.877 20 0 HDADLO CCc1ncnc(Cl)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822425 720435173 /nfs/dbraw/zinc/43/51/73/720435173.db2.gz FAOSEYUDGFUTFQ-OAHLLOKOSA-N 1 2 420.945 1.879 20 0 HDADLO Cc1nc(C)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164826327 720446733 /nfs/dbraw/zinc/44/67/33/720446733.db2.gz VTPUFVCQMRJXMO-INIZCTEOSA-N 1 2 420.945 1.933 20 0 HDADLO COc1cc(OC)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164824148 720451609 /nfs/dbraw/zinc/45/16/09/720451609.db2.gz MTHVYDOZJDZFKA-MRXNPFEDSA-N 1 2 417.510 1.285 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)CCCN3)C2 ZINC001164822329 720451819 /nfs/dbraw/zinc/45/18/19/720451819.db2.gz CTDLOHMDJVWGFG-MRXNPFEDSA-N 1 2 413.526 1.021 20 0 HDADLO CC(C)c1nccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830020 720456033 /nfs/dbraw/zinc/45/60/33/720456033.db2.gz ITUWVCMVSHJTHN-KRWDZBQOSA-N 1 2 400.527 1.786 20 0 HDADLO CCCc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828919 720464096 /nfs/dbraw/zinc/46/40/96/720464096.db2.gz CJPIWMLSUUONMP-KRWDZBQOSA-N 1 2 400.527 1.615 20 0 HDADLO CCSc1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833109 720473280 /nfs/dbraw/zinc/47/32/80/720473280.db2.gz YOIXPUATZHATJD-INIZCTEOSA-N 1 2 418.567 1.775 20 0 HDADLO CC(C)Oc1nccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164834058 720476381 /nfs/dbraw/zinc/47/63/81/720476381.db2.gz RCBJIGRDCUXGNG-QGZVFWFLSA-N 1 2 416.526 1.450 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc3c(n1)CCCC3)C2 ZINC001164834140 720477837 /nfs/dbraw/zinc/47/78/37/720477837.db2.gz SDAHDVQLXGTRQC-QGZVFWFLSA-N 1 2 412.538 1.542 20 0 HDADLO CCOc1cccnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164834480 720478035 /nfs/dbraw/zinc/47/80/35/720478035.db2.gz SLWPCKNJWHTAKE-QGZVFWFLSA-N 1 2 401.511 1.666 20 0 HDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870431 721042810 /nfs/dbraw/zinc/04/28/10/721042810.db2.gz VSLDREQCNRHMAK-HUUCEWRRSA-N 1 2 423.926 1.408 20 0 HDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870431 721042815 /nfs/dbraw/zinc/04/28/15/721042815.db2.gz VSLDREQCNRHMAK-HUUCEWRRSA-N 1 2 423.926 1.408 20 0 HDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781466 721423892 /nfs/dbraw/zinc/42/38/92/721423892.db2.gz DQJGTNXESHSDSB-HSRKRZFJSA-N 1 2 421.548 1.415 20 0 HDADLO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781466 721423896 /nfs/dbraw/zinc/42/38/96/721423896.db2.gz DQJGTNXESHSDSB-HSRKRZFJSA-N 1 2 421.548 1.415 20 0 HDADLO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164908705 721534888 /nfs/dbraw/zinc/53/48/88/721534888.db2.gz QFLQDJMRAABUHE-ZBFHGGJFSA-N 1 2 422.482 1.370 20 0 HDADLO COc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164908705 721534890 /nfs/dbraw/zinc/53/48/90/721534890.db2.gz QFLQDJMRAABUHE-ZBFHGGJFSA-N 1 2 422.482 1.370 20 0 HDADLO COc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164908702 721534978 /nfs/dbraw/zinc/53/49/78/721534978.db2.gz QFLQDJMRAABUHE-HOCLYGCPSA-N 1 2 422.482 1.370 20 0 HDADLO COc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164908702 721534981 /nfs/dbraw/zinc/53/49/81/721534981.db2.gz QFLQDJMRAABUHE-HOCLYGCPSA-N 1 2 422.482 1.370 20 0 HDADLO CN1CCN(c2nccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)CC1 ZINC001164802620 721585443 /nfs/dbraw/zinc/58/54/43/721585443.db2.gz HHHACGHNZBVYCQ-JAXLGGSGSA-N 1 2 423.565 1.492 20 0 HDADLO CN1CCN(c2nccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)n2)CC1 ZINC001164802620 721585447 /nfs/dbraw/zinc/58/54/47/721585447.db2.gz HHHACGHNZBVYCQ-JAXLGGSGSA-N 1 2 423.565 1.492 20 0 HDADLO CCOC(=O)c1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915150 721781311 /nfs/dbraw/zinc/78/13/11/721781311.db2.gz IPVWZDWTVPHKKG-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915150 721781313 /nfs/dbraw/zinc/78/13/13/721781313.db2.gz IPVWZDWTVPHKKG-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO COC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1C ZINC001164917556 721786560 /nfs/dbraw/zinc/78/65/60/721786560.db2.gz YAKLUIUECPSZJK-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1C ZINC001164917556 721786561 /nfs/dbraw/zinc/78/65/61/721786561.db2.gz YAKLUIUECPSZJK-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO Fc1nc(F)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164914937 721792348 /nfs/dbraw/zinc/79/23/48/721792348.db2.gz RJDJRDZSRHYCBB-SFHVURJKSA-N 1 2 411.840 1.911 20 0 HDADLO Fc1nc(F)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164914937 721792349 /nfs/dbraw/zinc/79/23/49/721792349.db2.gz RJDJRDZSRHYCBB-SFHVURJKSA-N 1 2 411.840 1.911 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1C ZINC001164944422 721973240 /nfs/dbraw/zinc/97/32/40/721973240.db2.gz IKMZJZXHFPLZHV-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1C ZINC001164944422 721973241 /nfs/dbraw/zinc/97/32/41/721973241.db2.gz IKMZJZXHFPLZHV-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO O=C(c1cccnc1N1CCC2(C1)OCCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165047264 721985279 /nfs/dbraw/zinc/98/52/79/721985279.db2.gz KGCTVRPHTFKVMB-UHFFFAOYSA-N 1 2 408.502 1.993 20 0 HDADLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000509072368 1073461650 /nfs/dbraw/zinc/46/16/50/1073461650.db2.gz TYRRSZOZENDNQJ-GOSISDBHSA-N 1 2 416.547 1.749 20 0 HDADLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000509072368 1073461651 /nfs/dbraw/zinc/46/16/51/1073461651.db2.gz TYRRSZOZENDNQJ-GOSISDBHSA-N 1 2 416.547 1.749 20 0 HDADLO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000014101338 1073490545 /nfs/dbraw/zinc/49/05/45/1073490545.db2.gz PGDYUSMVAZZCEQ-UHFFFAOYSA-N 1 2 403.504 1.691 20 0 HDADLO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000014101338 1073490552 /nfs/dbraw/zinc/49/05/52/1073490552.db2.gz PGDYUSMVAZZCEQ-UHFFFAOYSA-N 1 2 403.504 1.691 20 0 HDADLO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)C2)c1 ZINC000671398330 1073503710 /nfs/dbraw/zinc/50/37/10/1073503710.db2.gz ZICDWMPJAGBLIN-HXUWFJFHSA-N 1 2 422.529 1.912 20 0 HDADLO CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000671398340 1073503750 /nfs/dbraw/zinc/50/37/50/1073503750.db2.gz ZWLGVDCCSOEVOI-AWEZNQCLSA-N 1 2 401.467 1.258 20 0 HDADLO O=C(NCCOCC(F)(F)C(F)F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000429105601 1073591437 /nfs/dbraw/zinc/59/14/37/1073591437.db2.gz SBUWUNOSTWSGAG-CQSZACIVSA-N 1 2 403.442 1.411 20 0 HDADLO O=C(C[N@H+]1CCCN(C(=O)c2noc(-c3cccc(F)c3)n2)CC1)N1CCCC1 ZINC000673669935 1073625430 /nfs/dbraw/zinc/62/54/30/1073625430.db2.gz SHXBGVABAJVDGB-UHFFFAOYSA-N 1 2 401.442 1.646 20 0 HDADLO O=C(C[N@@H+]1CCCN(C(=O)c2noc(-c3cccc(F)c3)n2)CC1)N1CCCC1 ZINC000673669935 1073625432 /nfs/dbraw/zinc/62/54/32/1073625432.db2.gz SHXBGVABAJVDGB-UHFFFAOYSA-N 1 2 401.442 1.646 20 0 HDADLO Cc1cccn2cc(CCNC(=O)c3ccc4c(c3)S(=O)(=O)N=C3NC=NN34)[nH+]c12 ZINC000673725009 1073657050 /nfs/dbraw/zinc/65/70/50/1073657050.db2.gz QUXLTBQVDPWLDM-UHFFFAOYSA-N 1 2 423.458 1.026 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C3CCN(c4ccc5nnnn5n4)CC3)[nH+]c12 ZINC000673727158 1073657759 /nfs/dbraw/zinc/65/77/59/1073657759.db2.gz RTZHDTFZCGIECK-UHFFFAOYSA-N 1 2 405.466 1.051 20 0 HDADLO COc1ccccc1[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1nccn1C ZINC000766026513 1073671649 /nfs/dbraw/zinc/67/16/49/1073671649.db2.gz GPRMNTKMIAZEEW-GOSISDBHSA-N 1 2 408.524 1.160 20 0 HDADLO C[N@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccsc1 ZINC000028730935 1073674375 /nfs/dbraw/zinc/67/43/75/1073674375.db2.gz KOJXKGWUXMBHSG-UHFFFAOYSA-N 1 2 423.560 1.517 20 0 HDADLO C[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccsc1 ZINC000028730935 1073674378 /nfs/dbraw/zinc/67/43/78/1073674378.db2.gz KOJXKGWUXMBHSG-UHFFFAOYSA-N 1 2 423.560 1.517 20 0 HDADLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429116790 1073680186 /nfs/dbraw/zinc/68/01/86/1073680186.db2.gz SFTMZZDWUQJRLV-INIZCTEOSA-N 1 2 404.511 1.780 20 0 HDADLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429116790 1073680190 /nfs/dbraw/zinc/68/01/90/1073680190.db2.gz SFTMZZDWUQJRLV-INIZCTEOSA-N 1 2 404.511 1.780 20 0 HDADLO Cc1cccn2cc(CCNC(=O)[C@H]3CCCCN3C(=O)c3ccc(=O)[nH]n3)[nH+]c12 ZINC000673746848 1073682029 /nfs/dbraw/zinc/68/20/29/1073682029.db2.gz CCNIOGRTTGZZLG-QGZVFWFLSA-N 1 2 408.462 1.492 20 0 HDADLO C[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)Cc2ccccc2O1 ZINC000429118107 1073682998 /nfs/dbraw/zinc/68/29/98/1073682998.db2.gz WQYIGUOTJFXHSV-KRWDZBQOSA-N 1 2 402.539 1.328 20 0 HDADLO C[C@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)Cc2ccccc2O1 ZINC000429118107 1073683001 /nfs/dbraw/zinc/68/30/01/1073683001.db2.gz WQYIGUOTJFXHSV-KRWDZBQOSA-N 1 2 402.539 1.328 20 0 HDADLO COc1cc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)ccc1OCC(N)=O ZINC000673770655 1073713158 /nfs/dbraw/zinc/71/31/58/1073713158.db2.gz OMDQTVJOFPARPZ-UHFFFAOYSA-N 1 2 411.462 1.557 20 0 HDADLO CCCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673782287 1073718733 /nfs/dbraw/zinc/71/87/33/1073718733.db2.gz AZRDJYXKJBTWTF-GOSISDBHSA-N 1 2 402.495 1.088 20 0 HDADLO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000673782227 1073718861 /nfs/dbraw/zinc/71/88/61/1073718861.db2.gz AMXFCBDNFOZFFB-HNNXBMFYSA-N 1 2 422.913 1.304 20 0 HDADLO COc1cc2nc(C)sc2cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785696 1073726789 /nfs/dbraw/zinc/72/67/89/1073726789.db2.gz XNYCRLGFLRPBNP-AWEZNQCLSA-N 1 2 418.519 1.875 20 0 HDADLO O=C(Nc1ccc(-c2csnn2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785544 1073726813 /nfs/dbraw/zinc/72/68/13/1073726813.db2.gz SRGINUMAGNTAIW-INIZCTEOSA-N 1 2 401.492 1.467 20 0 HDADLO COc1cc2nc(C)sc2cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785697 1073726945 /nfs/dbraw/zinc/72/69/45/1073726945.db2.gz XNYCRLGFLRPBNP-CQSZACIVSA-N 1 2 418.519 1.875 20 0 HDADLO CC(=O)NCCc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)s1 ZINC000673823344 1073767906 /nfs/dbraw/zinc/76/79/06/1073767906.db2.gz HNHQDQUBZMQTTJ-UHFFFAOYSA-N 1 2 406.533 1.904 20 0 HDADLO CN(C)c1nc(CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cs1 ZINC000673849580 1073815058 /nfs/dbraw/zinc/81/50/58/1073815058.db2.gz CYAWDZGXNVHQQF-UHFFFAOYSA-N 1 2 419.551 1.920 20 0 HDADLO O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000673855452 1073823066 /nfs/dbraw/zinc/82/30/66/1073823066.db2.gz SJLADJLNYLRFKV-WOJBJXKFSA-N 1 2 401.507 1.081 20 0 HDADLO CC(=O)Nc1cccc2c1CCN(C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000673872176 1073838866 /nfs/dbraw/zinc/83/88/66/1073838866.db2.gz KMHYDQKGHRBUFD-UHFFFAOYSA-N 1 2 412.494 1.764 20 0 HDADLO COc1cccc(S(=O)(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000673897981 1073858878 /nfs/dbraw/zinc/85/88/78/1073858878.db2.gz SUPJQIQFOBDUOP-UHFFFAOYSA-N 1 2 403.504 1.813 20 0 HDADLO C[C@H]([NH2+]CC(=O)NCc1cccc(C(=O)NC2CC2)c1)c1nnnn1-c1ccccc1 ZINC000543501367 1073859347 /nfs/dbraw/zinc/85/93/47/1073859347.db2.gz MSUGJQUMTVRVAQ-HNNXBMFYSA-N 1 2 419.489 1.522 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000766040309 1073867732 /nfs/dbraw/zinc/86/77/32/1073867732.db2.gz PPVZTOWITZLLBX-WMZOPIPTSA-N 1 2 420.897 1.970 20 0 HDADLO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000766040309 1073867736 /nfs/dbraw/zinc/86/77/36/1073867736.db2.gz PPVZTOWITZLLBX-WMZOPIPTSA-N 1 2 420.897 1.970 20 0 HDADLO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)c1 ZINC000673913425 1073881184 /nfs/dbraw/zinc/88/11/84/1073881184.db2.gz JZLVEQFWRXUGQD-SFTDATJTSA-N 1 2 424.501 1.985 20 0 HDADLO COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2=O)c1 ZINC000673913425 1073881188 /nfs/dbraw/zinc/88/11/88/1073881188.db2.gz JZLVEQFWRXUGQD-SFTDATJTSA-N 1 2 424.501 1.985 20 0 HDADLO CC(C)CCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000503244835 1073885145 /nfs/dbraw/zinc/88/51/45/1073885145.db2.gz VPZJBFGJVYIIJV-UHFFFAOYSA-N 1 2 423.583 1.754 20 0 HDADLO O=C(Nc1nncs1)c1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000766042026 1073904082 /nfs/dbraw/zinc/90/40/82/1073904082.db2.gz DNZBOKDTNVWETC-UHFFFAOYSA-N 1 2 412.493 1.221 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000058134877 1073962757 /nfs/dbraw/zinc/96/27/57/1073962757.db2.gz BJBUHEFIKPCODZ-FQEVSTJZSA-N 1 2 403.504 1.278 20 0 HDADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000543517554 1073970092 /nfs/dbraw/zinc/97/00/92/1073970092.db2.gz VDMINLLMHCTMLB-KBXCAEBGSA-N 1 2 420.473 1.762 20 0 HDADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1ccnn1Cc1ccccc1Cl ZINC000484414237 1073984832 /nfs/dbraw/zinc/98/48/32/1073984832.db2.gz KISPZECHGGEXSX-UHFFFAOYSA-N 1 2 421.929 1.150 20 0 HDADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1ccnn1Cc1ccccc1Cl ZINC000484414237 1073984834 /nfs/dbraw/zinc/98/48/34/1073984834.db2.gz KISPZECHGGEXSX-UHFFFAOYSA-N 1 2 421.929 1.150 20 0 HDADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000543529034 1074009308 /nfs/dbraw/zinc/00/93/08/1074009308.db2.gz USIWRTDUYOEQHN-KRWDZBQOSA-N 1 2 407.474 1.083 20 0 HDADLO COCc1ccc([C@H]2CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000466583768 1074023562 /nfs/dbraw/zinc/02/35/62/1074023562.db2.gz IPZOHRRGHAOKDY-GOSISDBHSA-N 1 2 414.510 1.885 20 0 HDADLO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N3CCC(C(N)=O)CC3)n2)c1 ZINC000543543462 1074050716 /nfs/dbraw/zinc/05/07/16/1074050716.db2.gz TVCHPHLNWMJJBT-STQMWFEESA-N 1 2 401.467 1.508 20 0 HDADLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N3CCC(C(N)=O)CC3)n2)c1 ZINC000543543461 1074050780 /nfs/dbraw/zinc/05/07/80/1074050780.db2.gz TVCHPHLNWMJJBT-QWHCGFSZSA-N 1 2 401.467 1.508 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1OC ZINC000674026019 1074093370 /nfs/dbraw/zinc/09/33/70/1074093370.db2.gz ZCBBKOAFJAPKKS-OAHLLOKOSA-N 1 2 404.554 1.215 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)CSc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000543565978 1074127963 /nfs/dbraw/zinc/12/79/63/1074127963.db2.gz GVHHXNWSZGPVGF-AWEZNQCLSA-N 1 2 404.492 1.925 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)CSc2nc(-c3ccccc3)no2)C[C@@H]1C ZINC000543565978 1074127967 /nfs/dbraw/zinc/12/79/67/1074127967.db2.gz GVHHXNWSZGPVGF-AWEZNQCLSA-N 1 2 404.492 1.925 20 0 HDADLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCOCC3)CC2)cc1 ZINC000059373982 1074146642 /nfs/dbraw/zinc/14/66/42/1074146642.db2.gz ZUNFRCHQDIXGLI-SFHVURJKSA-N 1 2 423.579 1.755 20 0 HDADLO O=C(Cn1ncc2ccccc21)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001005108363 1074172792 /nfs/dbraw/zinc/17/27/92/1074172792.db2.gz MCLPGOGTRCFZDZ-RXFYRGCNSA-N 1 2 404.474 1.811 20 0 HDADLO O=C(Cn1ncc2ccccc21)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001005108363 1074172794 /nfs/dbraw/zinc/17/27/94/1074172794.db2.gz MCLPGOGTRCFZDZ-RXFYRGCNSA-N 1 2 404.474 1.811 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H](CCO)c2ccccc2)CC1 ZINC000674196014 1074209785 /nfs/dbraw/zinc/20/97/85/1074209785.db2.gz CDFRVPTWSJTMSD-IBGZPJMESA-N 1 2 424.501 1.253 20 0 HDADLO Cc1c(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000674201795 1074217030 /nfs/dbraw/zinc/21/70/30/1074217030.db2.gz FIQVKUUWTHUZJH-KRWDZBQOSA-N 1 2 408.462 1.483 20 0 HDADLO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674202302 1074218473 /nfs/dbraw/zinc/21/84/73/1074218473.db2.gz QZGCTIBELIPVLT-KRWDZBQOSA-N 1 2 419.507 1.837 20 0 HDADLO O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202261 1074218494 /nfs/dbraw/zinc/21/84/94/1074218494.db2.gz QDUSKQADTWIHBU-KRWDZBQOSA-N 1 2 409.446 1.334 20 0 HDADLO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674203235 1074219259 /nfs/dbraw/zinc/21/92/59/1074219259.db2.gz JVUDTWWPTYRMKX-MRXNPFEDSA-N 1 2 404.492 1.538 20 0 HDADLO O=C(Nc1cc(N2CCNC2=O)ccc1Cl)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674205125 1074219349 /nfs/dbraw/zinc/21/93/49/1074219349.db2.gz YIGPBDHVEPCQHQ-AWEZNQCLSA-N 1 2 416.869 1.868 20 0 HDADLO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674203234 1074219425 /nfs/dbraw/zinc/21/94/25/1074219425.db2.gz JVUDTWWPTYRMKX-INIZCTEOSA-N 1 2 404.492 1.538 20 0 HDADLO Cc1noc(COc2ccc(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)n1 ZINC000674205390 1074221633 /nfs/dbraw/zinc/22/16/33/1074221633.db2.gz ZYDMLLCMESOMHB-MRXNPFEDSA-N 1 2 410.434 1.956 20 0 HDADLO Cc1c[nH+]c2cc(C(=O)N[C@H](C(=O)N(C)Cc3nnc4n3CCC4)C(C)C)ccn12 ZINC001128661722 1074224741 /nfs/dbraw/zinc/22/47/41/1074224741.db2.gz QPPMLDAEHIFQOM-IBGZPJMESA-N 1 2 409.494 1.593 20 0 HDADLO C[C@H](Cc1ccncc1)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000674231116 1074236337 /nfs/dbraw/zinc/23/63/37/1074236337.db2.gz WOHQMVCZPAYVRM-MRXNPFEDSA-N 1 2 409.490 1.155 20 0 HDADLO NC(=O)[C@H]1c2ccccc2CCN1CCOCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000674234629 1074237774 /nfs/dbraw/zinc/23/77/74/1074237774.db2.gz XBZOLMOIGYEXDZ-SZPZYZBQSA-N 1 2 422.529 1.172 20 0 HDADLO NC(=O)[C@H]1c2ccccc2CCN1CCOCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000674234629 1074237779 /nfs/dbraw/zinc/23/77/79/1074237779.db2.gz XBZOLMOIGYEXDZ-SZPZYZBQSA-N 1 2 422.529 1.172 20 0 HDADLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCOCCN1CCc2ccccc2[C@H]1C(N)=O ZINC000674234629 1074237786 /nfs/dbraw/zinc/23/77/86/1074237786.db2.gz XBZOLMOIGYEXDZ-SZPZYZBQSA-N 1 2 422.529 1.172 20 0 HDADLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCOCCN1CCc2ccccc2[C@H]1C(N)=O ZINC000674234629 1074237788 /nfs/dbraw/zinc/23/77/88/1074237788.db2.gz XBZOLMOIGYEXDZ-SZPZYZBQSA-N 1 2 422.529 1.172 20 0 HDADLO COC1CC[NH+](CCNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000674317660 1074279565 /nfs/dbraw/zinc/27/95/65/1074279565.db2.gz VZWVPSIUPGTRDZ-UHFFFAOYSA-N 1 2 403.932 1.524 20 0 HDADLO Cn1c(=O)c2ccc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)nc2n(C)c1=O ZINC000509224426 1074306531 /nfs/dbraw/zinc/30/65/31/1074306531.db2.gz DYYPCWDOPKRSBE-UHFFFAOYSA-N 1 2 414.491 1.327 20 0 HDADLO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC001626098956 1074307455 /nfs/dbraw/zinc/30/74/55/1074307455.db2.gz ZPGQFUUPFQMVNP-UHFFFAOYSA-N 1 2 419.507 1.514 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000674392596 1074309400 /nfs/dbraw/zinc/30/94/00/1074309400.db2.gz FZBYLTPWWVRONJ-SFHVURJKSA-N 1 2 400.479 1.708 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000674395973 1074309783 /nfs/dbraw/zinc/30/97/83/1074309783.db2.gz IVIXUSMGGURNIY-LPHOPBHVSA-N 1 2 410.946 1.501 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000674428625 1074316999 /nfs/dbraw/zinc/31/69/99/1074316999.db2.gz IIDLFWOOZIGNSC-JLTOFOAXSA-N 1 2 414.441 1.531 20 0 HDADLO O=C(C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000674459035 1074362601 /nfs/dbraw/zinc/36/26/01/1074362601.db2.gz FSWRKPHQFSDYLB-TXEJJXNPSA-N 1 2 401.351 1.740 20 0 HDADLO O=C(C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000674459035 1074362607 /nfs/dbraw/zinc/36/26/07/1074362607.db2.gz FSWRKPHQFSDYLB-TXEJJXNPSA-N 1 2 401.351 1.740 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCc3ccc(COC(C)C)cc3)CCN2C1=O ZINC000674500644 1074395114 /nfs/dbraw/zinc/39/51/14/1074395114.db2.gz CYXCPCHDWFDAAD-GOSISDBHSA-N 1 2 402.495 1.196 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCc3ccc(COC(C)C)cc3)CCN2C1=O ZINC000674500644 1074395124 /nfs/dbraw/zinc/39/51/24/1074395124.db2.gz CYXCPCHDWFDAAD-GOSISDBHSA-N 1 2 402.495 1.196 20 0 HDADLO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3C[C@H](O)C[C@H](O)C3)cc2)cc1 ZINC000674497345 1074407292 /nfs/dbraw/zinc/40/72/92/1074407292.db2.gz HFQGPHFUKIOTIQ-KDURUIRLSA-N 1 2 413.474 1.704 20 0 HDADLO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3C[C@H](O)C[C@H](O)C3)cc2)cc1 ZINC000674497345 1074407306 /nfs/dbraw/zinc/40/73/06/1074407306.db2.gz HFQGPHFUKIOTIQ-KDURUIRLSA-N 1 2 413.474 1.704 20 0 HDADLO CC(C)(C)C(=O)Nc1nccnc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001626100626 1074410015 /nfs/dbraw/zinc/41/00/15/1074410015.db2.gz KBADNPHNEBYWHF-UHFFFAOYSA-N 1 2 405.499 1.072 20 0 HDADLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cncc(-n4cncn4)n3)CC2)cs1 ZINC000674649387 1074496672 /nfs/dbraw/zinc/49/66/72/1074496672.db2.gz YTVNNHDQASYUKO-CQSZACIVSA-N 1 2 400.512 1.934 20 0 HDADLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cncc(-n4cncn4)n3)CC2)cs1 ZINC000674649387 1074496677 /nfs/dbraw/zinc/49/66/77/1074496677.db2.gz YTVNNHDQASYUKO-CQSZACIVSA-N 1 2 400.512 1.934 20 0 HDADLO COc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)sc1S(N)(=O)=O ZINC000674712409 1074531704 /nfs/dbraw/zinc/53/17/04/1074531704.db2.gz JSJGXCJZOGHOCM-ZDUSSCGKSA-N 1 2 420.516 1.851 20 0 HDADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000674720122 1074539240 /nfs/dbraw/zinc/53/92/40/1074539240.db2.gz XWXZGPUTHBLLRF-HIFRSBDPSA-N 1 2 401.554 1.288 20 0 HDADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000674720123 1074539318 /nfs/dbraw/zinc/53/93/18/1074539318.db2.gz XWXZGPUTHBLLRF-UKRRQHHQSA-N 1 2 401.554 1.288 20 0 HDADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000674720124 1074539376 /nfs/dbraw/zinc/53/93/76/1074539376.db2.gz XWXZGPUTHBLLRF-ZFWWWQNUSA-N 1 2 401.554 1.288 20 0 HDADLO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000766067777 1074549454 /nfs/dbraw/zinc/54/94/54/1074549454.db2.gz XFYTXRAJMIOATP-CRAIPNDOSA-N 1 2 405.474 1.988 20 0 HDADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000674762990 1074556431 /nfs/dbraw/zinc/55/64/31/1074556431.db2.gz CISQBUOORKASCY-KRWDZBQOSA-N 1 2 404.474 1.939 20 0 HDADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000674762990 1074556436 /nfs/dbraw/zinc/55/64/36/1074556436.db2.gz CISQBUOORKASCY-KRWDZBQOSA-N 1 2 404.474 1.939 20 0 HDADLO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001128815748 1074560518 /nfs/dbraw/zinc/56/05/18/1074560518.db2.gz JHFAJCWAYDKYAH-QRVBRYPASA-N 1 2 411.543 1.774 20 0 HDADLO CC(C)(C)c1cc(CS(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)no1 ZINC000429242580 1074639440 /nfs/dbraw/zinc/63/94/40/1074639440.db2.gz VTHCOLGTDGQCGL-UHFFFAOYSA-N 1 2 422.555 1.394 20 0 HDADLO O=C(CSc1nc(-c2ccccc2)no1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000544563584 1074666925 /nfs/dbraw/zinc/66/69/25/1074666925.db2.gz XULIBAOPPVTAHW-UHFFFAOYSA-N 1 2 414.491 1.996 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000429310162 1074672558 /nfs/dbraw/zinc/67/25/58/1074672558.db2.gz OKDNIFXGMRNGIL-QLFBSQMISA-N 1 2 410.540 1.593 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000429312086 1074685089 /nfs/dbraw/zinc/68/50/89/1074685089.db2.gz AWRICPCMJYJQJN-UHFFFAOYSA-N 1 2 414.514 1.170 20 0 HDADLO C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000509306756 1074702350 /nfs/dbraw/zinc/70/23/50/1074702350.db2.gz YACFZGZIKGYMFQ-INIZCTEOSA-N 1 2 415.538 1.883 20 0 HDADLO COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)CC2 ZINC000675106380 1074721961 /nfs/dbraw/zinc/72/19/61/1074721961.db2.gz WBVDSUXQPPEBTI-IRXDYDNUSA-N 1 2 409.494 1.756 20 0 HDADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000675126455 1074732126 /nfs/dbraw/zinc/73/21/26/1074732126.db2.gz IKSGLTWYUDPSDC-ZWKOTPCHSA-N 1 2 422.485 1.220 20 0 HDADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000675126455 1074732131 /nfs/dbraw/zinc/73/21/31/1074732131.db2.gz IKSGLTWYUDPSDC-ZWKOTPCHSA-N 1 2 422.485 1.220 20 0 HDADLO CC(=O)Nc1ccccc1CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543613685 1074733265 /nfs/dbraw/zinc/73/32/65/1074733265.db2.gz IMFWPCDETLVOGH-UHFFFAOYSA-N 1 2 410.478 1.749 20 0 HDADLO C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)c1nnc2n1CCCC2 ZINC000543614990 1074741820 /nfs/dbraw/zinc/74/18/20/1074741820.db2.gz MMGSMRKZVUHIKC-CQSZACIVSA-N 1 2 412.498 1.280 20 0 HDADLO O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675220059 1074761519 /nfs/dbraw/zinc/76/15/19/1074761519.db2.gz YKAMXFCXIXSVBV-IEBWSBKVSA-N 1 2 407.536 1.163 20 0 HDADLO O=C(Cc1csc(NC(=O)c2cccs2)n1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219195 1074761537 /nfs/dbraw/zinc/76/15/37/1074761537.db2.gz FYPBFCGVAFUKQG-AWEZNQCLSA-N 1 2 406.533 1.933 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@]2(C)CCCS2)CC1 ZINC000675210324 1074764289 /nfs/dbraw/zinc/76/42/89/1074764289.db2.gz AQKJEABSNNJOEG-HXUWFJFHSA-N 1 2 404.536 1.415 20 0 HDADLO CC1CCC(N2C[C@@H](C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2=O)CC1 ZINC000521330505 1074765031 /nfs/dbraw/zinc/76/50/31/1074765031.db2.gz OMEDUURHFRDFAX-ADKAHSJRSA-N 1 2 403.527 1.581 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000675252288 1074778524 /nfs/dbraw/zinc/77/85/24/1074778524.db2.gz XYUVFLPISYKDPV-LIRRHRJNSA-N 1 2 401.486 1.998 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000675252288 1074778531 /nfs/dbraw/zinc/77/85/31/1074778531.db2.gz XYUVFLPISYKDPV-LIRRHRJNSA-N 1 2 401.486 1.998 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675258096 1074779673 /nfs/dbraw/zinc/77/96/73/1074779673.db2.gz SSARXTIUUKLWGZ-VCBZYWHSSA-N 1 2 418.519 1.862 20 0 HDADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000675258941 1074780500 /nfs/dbraw/zinc/78/05/00/1074780500.db2.gz QJBHPFBYJBCCIE-CWRNSKLLSA-N 1 2 406.512 1.863 20 0 HDADLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000675322163 1074799140 /nfs/dbraw/zinc/79/91/40/1074799140.db2.gz QHDCRFFINNHSHS-HOTGVXAUSA-N 1 2 414.428 1.566 20 0 HDADLO Cc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1[C@@H](C)C1CC1 ZINC000544262028 1075096128 /nfs/dbraw/zinc/09/61/28/1075096128.db2.gz HEKBZGRKHOXSGN-WMZOPIPTSA-N 1 2 403.527 1.814 20 0 HDADLO C[C@@H](c1ccccc1)n1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000675389537 1075122132 /nfs/dbraw/zinc/12/21/32/1075122132.db2.gz GOPUQTNSHWYGBH-HKUYNNGSSA-N 1 2 411.506 1.612 20 0 HDADLO O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675403621 1075128838 /nfs/dbraw/zinc/12/88/38/1075128838.db2.gz SFCGHRVXIMWJGR-HNNXBMFYSA-N 1 2 407.833 1.104 20 0 HDADLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)[nH+]c12 ZINC000675463424 1075160377 /nfs/dbraw/zinc/16/03/77/1075160377.db2.gz ANEXOZZASNQTJH-UHFFFAOYSA-N 1 2 411.480 1.706 20 0 HDADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000675486935 1075173699 /nfs/dbraw/zinc/17/36/99/1075173699.db2.gz YJXLKDSLIOBHMA-UHFFFAOYSA-N 1 2 412.425 1.952 20 0 HDADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000675486935 1075173701 /nfs/dbraw/zinc/17/37/01/1075173701.db2.gz YJXLKDSLIOBHMA-UHFFFAOYSA-N 1 2 412.425 1.952 20 0 HDADLO C[NH+](C)C[C@@H]1CN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)c2ccccc2O1 ZINC000675492009 1075176098 /nfs/dbraw/zinc/17/60/98/1075176098.db2.gz PTIBGOWEPNFTNN-CQSZACIVSA-N 1 2 414.487 1.707 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(c2cccc(F)c2F)CC1 ZINC000486952389 1075187361 /nfs/dbraw/zinc/18/73/61/1075187361.db2.gz XYZTYDWYFPAVBH-UHFFFAOYSA-N 1 2 420.464 1.848 20 0 HDADLO CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](C)c1ccc(F)cc1 ZINC000448497893 1075187768 /nfs/dbraw/zinc/18/77/68/1075187768.db2.gz XNJBVXXTTFSEDH-MRXNPFEDSA-N 1 2 417.485 1.903 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H](Cn1cccn1)c1ccccc1 ZINC000608312712 1075189020 /nfs/dbraw/zinc/18/90/20/1075189020.db2.gz MQEVHZQXVKOANA-LJQANCHMSA-N 1 2 409.494 1.975 20 0 HDADLO O=C(c1nc(N2CCCC2)ncc1Cl)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000675536740 1075194531 /nfs/dbraw/zinc/19/45/31/1075194531.db2.gz FQBLZSNXTJPNGX-OAHLLOKOSA-N 1 2 409.918 1.294 20 0 HDADLO C[C@H](c1ccccc1)N(CC(N)=O)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000466684955 1075195004 /nfs/dbraw/zinc/19/50/04/1075195004.db2.gz VFJHGVWEDPERBR-QGZVFWFLSA-N 1 2 400.548 1.941 20 0 HDADLO O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000675528118 1075200191 /nfs/dbraw/zinc/20/01/91/1075200191.db2.gz OAJSYOLFEAULFR-CYBMUJFWSA-N 1 2 419.432 1.474 20 0 HDADLO Cc1nnc([C@H]2CCCN(C(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)C2)[nH]1 ZINC000675528993 1075200642 /nfs/dbraw/zinc/20/06/42/1075200642.db2.gz ABECTBLCYJQMKD-INIZCTEOSA-N 1 2 411.510 1.912 20 0 HDADLO COCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000534836626 1075207772 /nfs/dbraw/zinc/20/77/72/1075207772.db2.gz PVEHDJIVMPVALK-WBVHZDCISA-N 1 2 405.886 1.683 20 0 HDADLO COCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000534836626 1075207774 /nfs/dbraw/zinc/20/77/74/1075207774.db2.gz PVEHDJIVMPVALK-WBVHZDCISA-N 1 2 405.886 1.683 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675586688 1075208701 /nfs/dbraw/zinc/20/87/01/1075208701.db2.gz XMVNYZYTMIWXFC-UHFFFAOYSA-N 1 2 414.485 1.309 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675575425 1075209335 /nfs/dbraw/zinc/20/93/35/1075209335.db2.gz PZYOYSHINOGSRS-YLJYHZDGSA-N 1 2 410.584 1.285 20 0 HDADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675586136 1075215431 /nfs/dbraw/zinc/21/54/31/1075215431.db2.gz XZTDKLQWADCIIV-LJQANCHMSA-N 1 2 408.462 1.562 20 0 HDADLO O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000490286336 1075232238 /nfs/dbraw/zinc/23/22/38/1075232238.db2.gz AWGJBBAHDINGPY-UHFFFAOYSA-N 1 2 413.869 1.979 20 0 HDADLO O=C(N[C@@H]1CCC(F)(F)C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675662198 1075250943 /nfs/dbraw/zinc/25/09/43/1075250943.db2.gz BKYPCLJAYGHSFY-HUUCEWRRSA-N 1 2 410.469 1.769 20 0 HDADLO O=C(N[C@@H]1CCC(F)(F)C1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675662198 1075250946 /nfs/dbraw/zinc/25/09/46/1075250946.db2.gz BKYPCLJAYGHSFY-HUUCEWRRSA-N 1 2 410.469 1.769 20 0 HDADLO Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675701877 1075257197 /nfs/dbraw/zinc/25/71/97/1075257197.db2.gz GKKNWZYNQXPHDK-RBUKOAKNSA-N 1 2 411.506 1.879 20 0 HDADLO O=C(c1cccc(CNc2ccncn2)c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000567281819 1075265696 /nfs/dbraw/zinc/26/56/96/1075265696.db2.gz PNVRVDFPEJCKLB-FQEVSTJZSA-N 1 2 411.506 1.652 20 0 HDADLO O=S(=O)(CC[C@@H]1CCCO1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000675760978 1075266448 /nfs/dbraw/zinc/26/64/48/1075266448.db2.gz QKDAXZVTVWMXRE-SFHVURJKSA-N 1 2 401.960 1.951 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675745748 1075267732 /nfs/dbraw/zinc/26/77/32/1075267732.db2.gz CWQNDAGKPDIQSH-GOSISDBHSA-N 1 2 412.494 1.525 20 0 HDADLO COc1cccc2c1OC[C@H](NC(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000675780840 1075268262 /nfs/dbraw/zinc/26/82/62/1075268262.db2.gz AZIHRTMBJUZYEN-GOSISDBHSA-N 1 2 424.501 1.639 20 0 HDADLO C[C@@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000675812438 1075275420 /nfs/dbraw/zinc/27/54/20/1075275420.db2.gz WLYDVFXGDVKBQX-MAUKXSAKSA-N 1 2 405.520 1.802 20 0 HDADLO O=S(=O)(CCNc1nc2c(cccc2F)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000485836126 1075275568 /nfs/dbraw/zinc/27/55/68/1075275568.db2.gz UXOGLZJUKWFJGO-UHFFFAOYSA-N 1 2 405.455 1.926 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)c1C ZINC000544496804 1075276743 /nfs/dbraw/zinc/27/67/43/1075276743.db2.gz OEOKSJVYSHGIFW-UHFFFAOYSA-N 1 2 408.462 1.944 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@H](C)O1 ZINC000509370381 1075290495 /nfs/dbraw/zinc/29/04/95/1075290495.db2.gz GWBAHBNKHKSUKO-IYBDPMFKSA-N 1 2 420.535 1.412 20 0 HDADLO Cc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1N1CCNC1=O ZINC000490349069 1075298868 /nfs/dbraw/zinc/29/88/68/1075298868.db2.gz WKDKIIVDPKJPTO-UHFFFAOYSA-N 1 2 413.482 1.697 20 0 HDADLO OC1(CNc2cc(NCC3(O)Cc4ccccc4C3)[nH+]cn2)Cc2ccccc2C1 ZINC000547468508 1075299375 /nfs/dbraw/zinc/29/93/75/1075299375.db2.gz ZZHBXPCIDQSPCP-UHFFFAOYSA-N 1 2 402.498 2.360 20 0 HDADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000675941957 1075302793 /nfs/dbraw/zinc/30/27/93/1075302793.db2.gz ZTTYPVKXBQODJZ-MOPGFXCFSA-N 1 2 423.579 1.636 20 0 HDADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000675941957 1075302795 /nfs/dbraw/zinc/30/27/95/1075302795.db2.gz ZTTYPVKXBQODJZ-MOPGFXCFSA-N 1 2 423.579 1.636 20 0 HDADLO CCOC(=O)c1cn(C)nc1NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000574722378 1075318532 /nfs/dbraw/zinc/31/85/32/1075318532.db2.gz RDKXLMYDPRJRBG-OAHLLOKOSA-N 1 2 415.494 2.516 20 0 HDADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000429386747 1075318879 /nfs/dbraw/zinc/31/88/79/1075318879.db2.gz NJTRUGFZIYLWTE-RTBURBONSA-N 1 2 419.957 1.867 20 0 HDADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000676026175 1075329159 /nfs/dbraw/zinc/32/91/59/1075329159.db2.gz GWYLKMVSWZAMTH-PMACEKPBSA-N 1 2 416.566 1.885 20 0 HDADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000676026175 1075329166 /nfs/dbraw/zinc/32/91/66/1075329166.db2.gz GWYLKMVSWZAMTH-PMACEKPBSA-N 1 2 416.566 1.885 20 0 HDADLO CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000429390761 1075332515 /nfs/dbraw/zinc/33/25/15/1075332515.db2.gz WTNYLEPXKUGUCO-VYMQAWTISA-N 1 2 419.555 1.275 20 0 HDADLO COc1cc2c(cc1OC)CN(C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000522830834 1075342503 /nfs/dbraw/zinc/34/25/03/1075342503.db2.gz ZYYXAKVSGRQGLA-UHFFFAOYSA-N 1 2 415.494 1.823 20 0 HDADLO COc1ccc(CCCN(C)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438315171 1075366036 /nfs/dbraw/zinc/36/60/36/1075366036.db2.gz KUOMYCLKGWFSNG-UHFFFAOYSA-N 1 2 401.511 2.320 20 0 HDADLO CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731476488 1075370562 /nfs/dbraw/zinc/37/05/62/1075370562.db2.gz CDZPIUFKHMMWKU-AWEZNQCLSA-N 1 2 422.913 1.209 20 0 HDADLO COc1ccc(CC[C@@H](C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438319548 1075370601 /nfs/dbraw/zinc/37/06/01/1075370601.db2.gz ITSFNBDXRLSRHX-QGZVFWFLSA-N 1 2 401.511 2.367 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000804087674 1075377409 /nfs/dbraw/zinc/37/74/09/1075377409.db2.gz IJHBFJZDAJXTMV-CVEARBPZSA-N 1 2 419.526 1.999 20 0 HDADLO CCS(=O)(=O)C1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000444757750 1075387314 /nfs/dbraw/zinc/38/73/14/1075387314.db2.gz LJQXXVALMXSJKL-UHFFFAOYSA-N 1 2 402.520 2.436 20 0 HDADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)C[C@@H](C)O1 ZINC000731572763 1075391538 /nfs/dbraw/zinc/39/15/38/1075391538.db2.gz DJSZVTDCXITONV-HUUCEWRRSA-N 1 2 402.470 1.989 20 0 HDADLO Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000543662080 1075412566 /nfs/dbraw/zinc/41/25/66/1075412566.db2.gz JYEXAGIIQRVHSJ-LSDHHAIUSA-N 1 2 410.540 1.666 20 0 HDADLO Cc1ccc(-c2csc(C[NH2+][C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2)cc1 ZINC000509388076 1075417409 /nfs/dbraw/zinc/41/74/09/1075417409.db2.gz OPPZVUCOONQFRF-ROUUACIJSA-N 1 2 407.561 1.706 20 0 HDADLO COc1ccc(NC(=O)C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)nn1 ZINC000556552515 1075418764 /nfs/dbraw/zinc/41/87/64/1075418764.db2.gz FYWCQPGZOSYSAH-UHFFFAOYSA-N 1 2 414.853 2.003 20 0 HDADLO COc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1OC(F)F ZINC000731648294 1075426838 /nfs/dbraw/zinc/42/68/38/1075426838.db2.gz KESUKVVDFPKGKB-UHFFFAOYSA-N 1 2 406.451 1.535 20 0 HDADLO COc1ccc(C2(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CCOCC2)cc1 ZINC000731647885 1075427766 /nfs/dbraw/zinc/42/77/66/1075427766.db2.gz CJOJVMANZLONLU-UHFFFAOYSA-N 1 2 424.563 1.369 20 0 HDADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1cccc(C)c1 ZINC000731647907 1075427795 /nfs/dbraw/zinc/42/77/95/1075427795.db2.gz DVJSBVQCPYZDLT-UHFFFAOYSA-N 1 2 404.536 1.728 20 0 HDADLO CC(C)c1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1ccccn1 ZINC000731649376 1075428694 /nfs/dbraw/zinc/42/86/94/1075428694.db2.gz MRWYGDUXDBJALH-UHFFFAOYSA-N 1 2 419.551 1.630 20 0 HDADLO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1Br ZINC000731648827 1075429906 /nfs/dbraw/zinc/42/99/06/1075429906.db2.gz VEHLQEWTCPWGEB-UHFFFAOYSA-N 1 2 421.361 1.534 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000731650170 1075431790 /nfs/dbraw/zinc/43/17/90/1075431790.db2.gz HAYBBRPQYNSWEG-IBGZPJMESA-N 1 2 423.560 1.241 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000731650104 1075432217 /nfs/dbraw/zinc/43/22/17/1075432217.db2.gz BGEUVZZDQSNTFW-IBGZPJMESA-N 1 2 410.536 1.483 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000731651097 1075434475 /nfs/dbraw/zinc/43/44/75/1075434475.db2.gz XQGPQHVFRDCZLG-UHFFFAOYSA-N 1 2 408.524 1.216 20 0 HDADLO Cc1cn(-c2ncccc2F)nc1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000448336480 1075437098 /nfs/dbraw/zinc/43/70/98/1075437098.db2.gz DSXSJSWUZKWWSK-IBGZPJMESA-N 1 2 420.514 2.044 20 0 HDADLO CN(CCOc1ccccc1Cl)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686410 1075446115 /nfs/dbraw/zinc/44/61/15/1075446115.db2.gz VCFAFVOYMXJLLD-UHFFFAOYSA-N 1 2 417.959 1.869 20 0 HDADLO COc1cccc(C[C@H]2CCCN2C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731686577 1075448937 /nfs/dbraw/zinc/44/89/37/1075448937.db2.gz DCECNXIRVUCIAC-LJQANCHMSA-N 1 2 423.579 1.921 20 0 HDADLO C[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000676259012 1075454846 /nfs/dbraw/zinc/45/48/46/1075454846.db2.gz ZEZFIUSLGIVQOL-RISCZKNCSA-N 1 2 424.350 1.497 20 0 HDADLO C[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000676259012 1075454850 /nfs/dbraw/zinc/45/48/50/1075454850.db2.gz ZEZFIUSLGIVQOL-RISCZKNCSA-N 1 2 424.350 1.497 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccnc2OC2CCCC2)CC1 ZINC000731681269 1075463272 /nfs/dbraw/zinc/46/32/72/1075463272.db2.gz PTFUCOBYVVLRKQ-UHFFFAOYSA-N 1 2 424.567 1.711 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCc2ccc3ccccc3n2)CC1 ZINC000731681397 1075463637 /nfs/dbraw/zinc/46/36/37/1075463637.db2.gz FDWDRYQWJLFVCF-UHFFFAOYSA-N 1 2 404.536 1.586 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2noc(-c3cccs3)n2)CC1 ZINC000731682035 1075465134 /nfs/dbraw/zinc/46/51/34/1075465134.db2.gz PEIQDWIRCSIGHI-UHFFFAOYSA-N 1 2 413.525 1.106 20 0 HDADLO Cc1nc(N(C)C)nc(N[C@@H](C)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)[nH+]1 ZINC001061894102 1075465451 /nfs/dbraw/zinc/46/54/51/1075465451.db2.gz RJOQXRZSFJFUHI-LTUQZUHASA-N 1 2 400.527 1.708 20 0 HDADLO Cc1csc(CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000731683369 1075465546 /nfs/dbraw/zinc/46/55/46/1075465546.db2.gz QTGKRWWEHKIDEF-UHFFFAOYSA-N 1 2 402.586 1.582 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000731683377 1075466058 /nfs/dbraw/zinc/46/60/58/1075466058.db2.gz DZDIRHLFFQMMLW-UHFFFAOYSA-N 1 2 423.514 1.320 20 0 HDADLO CCCC(=O)Nc1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731683088 1075466530 /nfs/dbraw/zinc/46/65/30/1075466530.db2.gz VVGFOFKJXWNLOE-UHFFFAOYSA-N 1 2 424.567 1.733 20 0 HDADLO COc1ccc(OCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731683861 1075468331 /nfs/dbraw/zinc/46/83/31/1075468331.db2.gz KGNUKFLIPVFBKH-UHFFFAOYSA-N 1 2 413.540 1.272 20 0 HDADLO CCN(CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000731683798 1075468356 /nfs/dbraw/zinc/46/83/56/1075468356.db2.gz IFBCVMJJDXWKEM-UHFFFAOYSA-N 1 2 420.576 1.052 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000676271284 1075473866 /nfs/dbraw/zinc/47/38/66/1075473866.db2.gz OMGKOVNNVXWAIK-MRXNPFEDSA-N 1 2 400.435 1.358 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000676271530 1075474276 /nfs/dbraw/zinc/47/42/76/1075474276.db2.gz UEUREHPLCRRNFJ-UHFFFAOYSA-N 1 2 416.526 1.982 20 0 HDADLO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Cl)c1 ZINC000731765650 1075501634 /nfs/dbraw/zinc/50/16/34/1075501634.db2.gz WMGVYYQMOLDTJE-UHFFFAOYSA-N 1 2 401.916 1.212 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000731752112 1075508692 /nfs/dbraw/zinc/50/86/92/1075508692.db2.gz PGUQWQWVKXSHGX-UHFFFAOYSA-N 1 2 422.551 1.553 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000429422024 1075509097 /nfs/dbraw/zinc/50/90/97/1075509097.db2.gz GSPRYOKAOFJJOW-HKUYNNGSSA-N 1 2 400.523 1.682 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000731753248 1075509715 /nfs/dbraw/zinc/50/97/15/1075509715.db2.gz ZBKFKWOIFRBQEL-UHFFFAOYSA-N 1 2 424.445 1.653 20 0 HDADLO COCCOc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)c1 ZINC000731753917 1075511121 /nfs/dbraw/zinc/51/11/21/1075511121.db2.gz ZKVOUIFIMNEELL-UHFFFAOYSA-N 1 2 413.540 1.651 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2N2CCCC2)CC1 ZINC000731755693 1075512438 /nfs/dbraw/zinc/51/24/38/1075512438.db2.gz ATYRUKNHFNNVRP-UHFFFAOYSA-N 1 2 408.568 1.595 20 0 HDADLO O=C([C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676339978 1075513211 /nfs/dbraw/zinc/51/32/11/1075513211.db2.gz NDLLTSXFFJCRHH-JKSUJKDBSA-N 1 2 413.565 1.224 20 0 HDADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2)C1 ZINC000676340598 1075514010 /nfs/dbraw/zinc/51/40/10/1075514010.db2.gz BTIUQMUUSBQICI-MJGOQNOKSA-N 1 2 421.563 1.654 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1cccnc1 ZINC000676340429 1075514426 /nfs/dbraw/zinc/51/44/26/1075514426.db2.gz FHQPVUGUKBVCJS-LEWJYISDSA-N 1 2 408.502 1.356 20 0 HDADLO COCCCN(Cc1ccncc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731760963 1075515932 /nfs/dbraw/zinc/51/59/32/1075515932.db2.gz KXEDSLOSOVNVQA-UHFFFAOYSA-N 1 2 412.556 1.139 20 0 HDADLO O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676343029 1075516100 /nfs/dbraw/zinc/51/61/00/1075516100.db2.gz UPNSBQKJRCMWJI-WOJBJXKFSA-N 1 2 421.563 1.162 20 0 HDADLO CC(C)Oc1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731765058 1075519571 /nfs/dbraw/zinc/51/95/71/1075519571.db2.gz MANDUDKFYJAIBW-UHFFFAOYSA-N 1 2 411.524 1.038 20 0 HDADLO Cc1nc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nn1C ZINC000559538537 1075521421 /nfs/dbraw/zinc/52/14/21/1075521421.db2.gz GHLGDNLDIRAVEV-KRWDZBQOSA-N 1 2 424.530 2.039 20 0 HDADLO Cc1nc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nn1C ZINC000559538537 1075521425 /nfs/dbraw/zinc/52/14/25/1075521425.db2.gz GHLGDNLDIRAVEV-KRWDZBQOSA-N 1 2 424.530 2.039 20 0 HDADLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000550912616 1075527576 /nfs/dbraw/zinc/52/75/76/1075527576.db2.gz WSGOGMZZQXULCP-OAHLLOKOSA-N 1 2 405.524 2.127 20 0 HDADLO CCc1nc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)nn1-c1ccccc1F ZINC000525575670 1075534209 /nfs/dbraw/zinc/53/42/09/1075534209.db2.gz NQEUESIZUSXPHE-UHFFFAOYSA-N 1 2 413.457 1.750 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CC[C@@H](S(=O)(=O)NC(C)C)C3)c2)cc[nH+]1 ZINC000544675107 1075537353 /nfs/dbraw/zinc/53/73/53/1075537353.db2.gz ZOIZKFAUUCUOEZ-GOSISDBHSA-N 1 2 417.535 1.939 20 0 HDADLO O=C(NCc1ccc2c(c1)C(=O)NCC2)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000543673359 1075542821 /nfs/dbraw/zinc/54/28/21/1075542821.db2.gz JRZMCMPQFOLIIP-NRFANRHFSA-N 1 2 422.529 1.715 20 0 HDADLO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429435308 1075549378 /nfs/dbraw/zinc/54/93/78/1075549378.db2.gz UCABTSLLTMZIGM-CYBMUJFWSA-N 1 2 407.496 1.669 20 0 HDADLO CSc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1Cl ZINC000439307799 1075557085 /nfs/dbraw/zinc/55/70/85/1075557085.db2.gz XZKLYVQMAJKAFC-UHFFFAOYSA-N 1 2 423.926 2.168 20 0 HDADLO C[C@@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000731892393 1075557920 /nfs/dbraw/zinc/55/79/20/1075557920.db2.gz KQGQLPYMEBFTLN-AWEZNQCLSA-N 1 2 423.926 1.536 20 0 HDADLO COc1ccccc1C1(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000676462060 1075560580 /nfs/dbraw/zinc/56/05/80/1075560580.db2.gz ZSMVBWGGKKYKNQ-GOSISDBHSA-N 1 2 415.534 1.556 20 0 HDADLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000676478829 1075566120 /nfs/dbraw/zinc/56/61/20/1075566120.db2.gz PHNILIHXVRKEEG-DLBZAZTESA-N 1 2 422.576 1.797 20 0 HDADLO Cc1noc(C2CCC(NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)n1 ZINC000440295457 1075567373 /nfs/dbraw/zinc/56/73/73/1075567373.db2.gz JMJVLFDYYGVQCH-UHFFFAOYSA-N 1 2 403.487 1.755 20 0 HDADLO COc1ccc(OC)c(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000731963320 1075577249 /nfs/dbraw/zinc/57/72/49/1075577249.db2.gz LAJZDBFSLUMOJA-LJQANCHMSA-N 1 2 406.479 1.460 20 0 HDADLO Cc1ccc(CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C2CC2)o1 ZINC000676546435 1075591216 /nfs/dbraw/zinc/59/12/16/1075591216.db2.gz FZFMRKXETNCYTP-UHFFFAOYSA-N 1 2 401.467 1.246 20 0 HDADLO Cc1ccccc1-c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n(C)n1 ZINC000676547521 1075594090 /nfs/dbraw/zinc/59/40/90/1075594090.db2.gz QIIVFUJJJVCUGK-QGZVFWFLSA-N 1 2 411.506 1.657 20 0 HDADLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000462560345 1075596758 /nfs/dbraw/zinc/59/67/58/1075596758.db2.gz UITISZYIINWTFU-QRWLVFNGSA-N 1 2 412.465 2.568 20 0 HDADLO COC1(CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCOCC1 ZINC000676566706 1075597915 /nfs/dbraw/zinc/59/79/15/1075597915.db2.gz NQTXOQLKAGJJOJ-UHFFFAOYSA-N 1 2 407.511 1.392 20 0 HDADLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448475643 1075599049 /nfs/dbraw/zinc/59/90/49/1075599049.db2.gz VGLNHMLEIIOJHH-AWEZNQCLSA-N 1 2 421.448 1.652 20 0 HDADLO C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000596037114 1075600446 /nfs/dbraw/zinc/60/04/46/1075600446.db2.gz XIOJLMMRNQHQEJ-PKOBYXMFSA-N 1 2 411.506 1.764 20 0 HDADLO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804171186 1075602253 /nfs/dbraw/zinc/60/22/53/1075602253.db2.gz DVFIAAWSCLYSSO-XBFCOCLRSA-N 1 2 407.471 1.633 20 0 HDADLO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804171186 1075602257 /nfs/dbraw/zinc/60/22/57/1075602257.db2.gz DVFIAAWSCLYSSO-XBFCOCLRSA-N 1 2 407.471 1.633 20 0 HDADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC1 ZINC000732072973 1075605296 /nfs/dbraw/zinc/60/52/96/1075605296.db2.gz SYMVBWYJIVWJPA-UHFFFAOYSA-N 1 2 404.898 1.959 20 0 HDADLO NC(=O)C[N@H+]1CCCN(C(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC1 ZINC000732072973 1075605300 /nfs/dbraw/zinc/60/53/00/1075605300.db2.gz SYMVBWYJIVWJPA-UHFFFAOYSA-N 1 2 404.898 1.959 20 0 HDADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000676593231 1075607538 /nfs/dbraw/zinc/60/75/38/1075607538.db2.gz DIKKSEAABUDJAJ-HXUWFJFHSA-N 1 2 402.502 1.723 20 0 HDADLO O=C(NCCC1CCN(CC(F)(F)F)CC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676601281 1075609626 /nfs/dbraw/zinc/60/96/26/1075609626.db2.gz FGLFYVZLCBAAJU-MRXNPFEDSA-N 1 2 415.460 1.827 20 0 HDADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000440704108 1075622131 /nfs/dbraw/zinc/62/21/31/1075622131.db2.gz NLNRGXAQEAMHNQ-UHFFFAOYSA-N 1 2 422.537 2.026 20 0 HDADLO Cc1ccc(C2(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CCOCC2)cc1 ZINC000732107418 1075634449 /nfs/dbraw/zinc/63/44/49/1075634449.db2.gz SNSIZYBQMYTXPH-UHFFFAOYSA-N 1 2 408.564 1.668 20 0 HDADLO Cc1nnnn1-c1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000071905685 1075652356 /nfs/dbraw/zinc/65/23/56/1075652356.db2.gz VBFCAJOCXXAQTP-FQEVSTJZSA-N 1 2 407.478 1.993 20 0 HDADLO Cc1nnnn1-c1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000071905685 1075652361 /nfs/dbraw/zinc/65/23/61/1075652361.db2.gz VBFCAJOCXXAQTP-FQEVSTJZSA-N 1 2 407.478 1.993 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000732187595 1075653719 /nfs/dbraw/zinc/65/37/19/1075653719.db2.gz WWFGDFYBEGNHKQ-VGSWGCGISA-N 1 2 414.506 1.593 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000732187595 1075653722 /nfs/dbraw/zinc/65/37/22/1075653722.db2.gz WWFGDFYBEGNHKQ-VGSWGCGISA-N 1 2 414.506 1.593 20 0 HDADLO CC(C)CN(C(=O)C[N@@H+]1CCCOC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000676713874 1075658275 /nfs/dbraw/zinc/65/82/75/1075658275.db2.gz MAIZDKYZSRVFND-OAHLLOKOSA-N 1 2 409.531 1.287 20 0 HDADLO CC(C)CN(C(=O)C[N@H+]1CCCOC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000676713874 1075658278 /nfs/dbraw/zinc/65/82/78/1075658278.db2.gz MAIZDKYZSRVFND-OAHLLOKOSA-N 1 2 409.531 1.287 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)ccc1C ZINC000676716891 1075659124 /nfs/dbraw/zinc/65/91/24/1075659124.db2.gz FTVUDPKOIVIVJC-INIZCTEOSA-N 1 2 405.524 1.585 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)ccc1C ZINC000676716891 1075659127 /nfs/dbraw/zinc/65/91/27/1075659127.db2.gz FTVUDPKOIVIVJC-INIZCTEOSA-N 1 2 405.524 1.585 20 0 HDADLO C[C@@H](C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1)[NH+]1CCSCC1 ZINC000442853904 1075669138 /nfs/dbraw/zinc/66/91/38/1075669138.db2.gz NHIYOVWLAVKAHP-ZDUSSCGKSA-N 1 2 417.539 1.475 20 0 HDADLO O=c1cc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)c2ccc(O)cc2o1 ZINC000732204580 1075676114 /nfs/dbraw/zinc/67/61/14/1075676114.db2.gz NYHVNNREQYQJBE-UHFFFAOYSA-N 1 2 418.457 1.792 20 0 HDADLO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000027999247 1075681510 /nfs/dbraw/zinc/68/15/10/1075681510.db2.gz ORDXNNQSSPPQRD-UHFFFAOYSA-N 1 2 423.560 1.631 20 0 HDADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001079013511 1075688400 /nfs/dbraw/zinc/68/84/00/1075688400.db2.gz OPYYQUZNEIXECO-SIFVSHMBSA-N 1 2 400.523 1.926 20 0 HDADLO CCCCNc1cc(N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)nc(N)[nH+]1 ZINC000553446492 1075693357 /nfs/dbraw/zinc/69/33/57/1075693357.db2.gz HXEKNDPFJVJRDG-AWEZNQCLSA-N 1 2 404.519 2.074 20 0 HDADLO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)n1 ZINC001084992927 1075698173 /nfs/dbraw/zinc/69/81/73/1075698173.db2.gz ZYWROXZJNWVCPG-HQERQYKXSA-N 1 2 416.547 1.736 20 0 HDADLO Cc1csc(NC(=O)C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)n1 ZINC001084992927 1075698174 /nfs/dbraw/zinc/69/81/74/1075698174.db2.gz ZYWROXZJNWVCPG-HQERQYKXSA-N 1 2 416.547 1.736 20 0 HDADLO COc1cc(OC)cc(N2CCC[N@@H+]([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1 ZINC000468131322 1075701024 /nfs/dbraw/zinc/70/10/24/1075701024.db2.gz QWWXCQOJIUBXJI-CQSZACIVSA-N 1 2 401.515 1.810 20 0 HDADLO COc1cc(OC)cc(N2CCC[N@H+]([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)c1 ZINC000468131322 1075701030 /nfs/dbraw/zinc/70/10/30/1075701030.db2.gz QWWXCQOJIUBXJI-CQSZACIVSA-N 1 2 401.515 1.810 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000535995317 1075715419 /nfs/dbraw/zinc/71/54/19/1075715419.db2.gz DUUQVDKZKNFJJJ-CQSZACIVSA-N 1 2 413.869 1.668 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000426153032 1075721778 /nfs/dbraw/zinc/72/17/78/1075721778.db2.gz KZKRTNLDLWWCKF-LBPRGKRZSA-N 1 2 409.416 1.428 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000426153032 1075721785 /nfs/dbraw/zinc/72/17/85/1075721785.db2.gz KZKRTNLDLWWCKF-LBPRGKRZSA-N 1 2 409.416 1.428 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2ccccc2o1 ZINC000547319916 1075722664 /nfs/dbraw/zinc/72/26/64/1075722664.db2.gz UAHRLUKIUACMKO-INIZCTEOSA-N 1 2 414.549 1.952 20 0 HDADLO Nc1nccc([C@H]2CCC[N@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000583393398 1075726414 /nfs/dbraw/zinc/72/64/14/1075726414.db2.gz BKVVITPIKHBGEH-LBPRGKRZSA-N 1 2 404.421 1.271 20 0 HDADLO Nc1nccc([C@H]2CCC[N@@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000583393398 1075726419 /nfs/dbraw/zinc/72/64/19/1075726419.db2.gz BKVVITPIKHBGEH-LBPRGKRZSA-N 1 2 404.421 1.271 20 0 HDADLO C[C@@H](C(=O)OCC(=O)NCC(=O)NC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397189 1075732521 /nfs/dbraw/zinc/73/25/21/1075732521.db2.gz OEEJFQOKYHUPPR-KRWDZBQOSA-N 1 2 417.550 1.904 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000732453089 1075742358 /nfs/dbraw/zinc/74/23/58/1075742358.db2.gz SGVZVEFFCCHWKL-BEFAXECRSA-N 1 2 416.588 1.749 20 0 HDADLO Nc1nc(C[NH+]2CCC(c3ccnn3CCO)CC2)nc(Nc2ccc(F)cc2)n1 ZINC000506088076 1075760892 /nfs/dbraw/zinc/76/08/92/1075760892.db2.gz UCSUGQZOLGFEJP-UHFFFAOYSA-N 1 2 412.473 1.905 20 0 HDADLO Nc1nsc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)n1 ZINC000468899336 1075771811 /nfs/dbraw/zinc/77/18/11/1075771811.db2.gz IXQINRVSIXUWDF-NSHDSACASA-N 1 2 404.323 1.989 20 0 HDADLO CC(C)(C)c1nnc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000515913749 1075777282 /nfs/dbraw/zinc/77/72/82/1075777282.db2.gz KTQRHFXLHQXEDL-HNNXBMFYSA-N 1 2 417.535 1.791 20 0 HDADLO CC(C)(C)c1nnc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000515913749 1075777284 /nfs/dbraw/zinc/77/72/84/1075777284.db2.gz KTQRHFXLHQXEDL-HNNXBMFYSA-N 1 2 417.535 1.791 20 0 HDADLO CN1CCN(c2cc(NCCNc3ccc(-c4ccccc4)nn3)[nH+]cn2)CC1=O ZINC000480036190 1075793302 /nfs/dbraw/zinc/79/33/02/1075793302.db2.gz LHVHADNUWSPTQM-UHFFFAOYSA-N 1 2 404.478 1.736 20 0 HDADLO CN1CCN(c2cc(NCCNc3ccc(-c4ccccc4)nn3)nc[nH+]2)CC1=O ZINC000480036190 1075793314 /nfs/dbraw/zinc/79/33/14/1075793314.db2.gz LHVHADNUWSPTQM-UHFFFAOYSA-N 1 2 404.478 1.736 20 0 HDADLO CC(C)(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCCC1 ZINC000498700426 1075794828 /nfs/dbraw/zinc/79/48/28/1075794828.db2.gz IQDAAJSDGLLSBU-UHFFFAOYSA-N 1 2 405.543 1.877 20 0 HDADLO Cn1nnc2c1nccc2C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000509273387 1075797765 /nfs/dbraw/zinc/79/77/65/1075797765.db2.gz ZGUQRGGMACCPLU-HOTGVXAUSA-N 1 2 400.870 1.818 20 0 HDADLO Cn1nnc2c1nccc2C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000509273387 1075797770 /nfs/dbraw/zinc/79/77/70/1075797770.db2.gz ZGUQRGGMACCPLU-HOTGVXAUSA-N 1 2 400.870 1.818 20 0 HDADLO CCc1noc(C)c1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000804245846 1075800047 /nfs/dbraw/zinc/80/00/47/1075800047.db2.gz XIIZMGRVQOINFR-UHFFFAOYSA-N 1 2 401.463 1.851 20 0 HDADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446779223 1075809266 /nfs/dbraw/zinc/80/92/66/1075809266.db2.gz VXFAFZWXWVONGF-AWEZNQCLSA-N 1 2 409.412 2.117 20 0 HDADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446779223 1075809270 /nfs/dbraw/zinc/80/92/70/1075809270.db2.gz VXFAFZWXWVONGF-AWEZNQCLSA-N 1 2 409.412 2.117 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732656826 1075818560 /nfs/dbraw/zinc/81/85/60/1075818560.db2.gz CHTOBMHSDRBCCX-SFHVURJKSA-N 1 2 405.405 1.625 20 0 HDADLO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000611064056 1075823147 /nfs/dbraw/zinc/82/31/47/1075823147.db2.gz SDVKWEAVPYTWMI-YZGWKJHDSA-N 1 2 405.587 1.445 20 0 HDADLO CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000525459265 1075825218 /nfs/dbraw/zinc/82/52/18/1075825218.db2.gz WCIPBYULXJMOAX-SFHVURJKSA-N 1 2 420.558 1.622 20 0 HDADLO O=C(C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000732808889 1075870970 /nfs/dbraw/zinc/87/09/70/1075870970.db2.gz ONOXJJFFGAOLRK-INIZCTEOSA-N 1 2 416.478 1.583 20 0 HDADLO O=C(C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000732808889 1075870974 /nfs/dbraw/zinc/87/09/74/1075870974.db2.gz ONOXJJFFGAOLRK-INIZCTEOSA-N 1 2 416.478 1.583 20 0 HDADLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812152 1075873639 /nfs/dbraw/zinc/87/36/39/1075873639.db2.gz BSLFURWURVQGNO-GJZGRUSLSA-N 1 2 418.412 1.733 20 0 HDADLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812152 1075873645 /nfs/dbraw/zinc/87/36/45/1075873645.db2.gz BSLFURWURVQGNO-GJZGRUSLSA-N 1 2 418.412 1.733 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732813326 1075874291 /nfs/dbraw/zinc/87/42/91/1075874291.db2.gz VQIJWKHBKJJXAO-QGZVFWFLSA-N 1 2 419.522 1.806 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732813326 1075874292 /nfs/dbraw/zinc/87/42/92/1075874292.db2.gz VQIJWKHBKJJXAO-QGZVFWFLSA-N 1 2 419.522 1.806 20 0 HDADLO COC(=O)c1ccc(N2CC[N@H+](CC(=O)N3CCOC[C@H]3C3CC3)[C@@H](C)C2)cc1 ZINC000611224848 1075880350 /nfs/dbraw/zinc/88/03/50/1075880350.db2.gz JFEOQRJEXBASMS-JXFKEZNVSA-N 1 2 401.507 1.621 20 0 HDADLO COC(=O)c1ccc(N2CC[N@@H+](CC(=O)N3CCOC[C@H]3C3CC3)[C@@H](C)C2)cc1 ZINC000611224848 1075880355 /nfs/dbraw/zinc/88/03/55/1075880355.db2.gz JFEOQRJEXBASMS-JXFKEZNVSA-N 1 2 401.507 1.621 20 0 HDADLO Cc1ccccc1[C@@H](O)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000732886048 1075892342 /nfs/dbraw/zinc/89/23/42/1075892342.db2.gz DUFJGLWCDYPCRP-IBGZPJMESA-N 1 2 411.506 1.462 20 0 HDADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000611323714 1075901154 /nfs/dbraw/zinc/90/11/54/1075901154.db2.gz YAABATNJFWYXJP-CYBMUJFWSA-N 1 2 408.499 1.281 20 0 HDADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000611323714 1075901155 /nfs/dbraw/zinc/90/11/55/1075901155.db2.gz YAABATNJFWYXJP-CYBMUJFWSA-N 1 2 408.499 1.281 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1scnc1Cl ZINC000732914984 1075912278 /nfs/dbraw/zinc/91/22/78/1075912278.db2.gz BCYJMBBLZGDESM-LBPRGKRZSA-N 1 2 408.915 1.822 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1scnc1Cl ZINC000732914984 1075912284 /nfs/dbraw/zinc/91/22/84/1075912284.db2.gz BCYJMBBLZGDESM-LBPRGKRZSA-N 1 2 408.915 1.822 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CSCCS1 ZINC000732916470 1075912917 /nfs/dbraw/zinc/91/29/17/1075912917.db2.gz RVZDBRXCCZOACJ-LSDHHAIUSA-N 1 2 409.581 1.247 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CSCCS1 ZINC000732916470 1075912923 /nfs/dbraw/zinc/91/29/23/1075912923.db2.gz RVZDBRXCCZOACJ-LSDHHAIUSA-N 1 2 409.581 1.247 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCCCC(=O)OC(C)(C)C ZINC000611369765 1075915285 /nfs/dbraw/zinc/91/52/85/1075915285.db2.gz SUYXNOYKIYFOFR-UHFFFAOYSA-N 1 2 420.510 1.793 20 0 HDADLO COC(=O)C1=C(C[N@H+](C)CCN2CCCC2=O)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000732984762 1075937806 /nfs/dbraw/zinc/93/78/06/1075937806.db2.gz DVUNDZBASLTONS-IBGZPJMESA-N 1 2 400.479 1.364 20 0 HDADLO COC(=O)C1=C(C[N@@H+](C)CCN2CCCC2=O)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000732984762 1075937809 /nfs/dbraw/zinc/93/78/09/1075937809.db2.gz DVUNDZBASLTONS-IBGZPJMESA-N 1 2 400.479 1.364 20 0 HDADLO COC(=O)c1csc(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1C ZINC000611456060 1075938268 /nfs/dbraw/zinc/93/82/68/1075938268.db2.gz JHOJMANPRUTDHO-UHFFFAOYSA-N 1 2 402.476 1.962 20 0 HDADLO Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079139301 1075964820 /nfs/dbraw/zinc/96/48/20/1075964820.db2.gz LPMCZMQJWVJYBL-VYKPCIFISA-N 1 2 423.513 1.980 20 0 HDADLO Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079139301 1075964821 /nfs/dbraw/zinc/96/48/21/1075964821.db2.gz LPMCZMQJWVJYBL-VYKPCIFISA-N 1 2 423.513 1.980 20 0 HDADLO CC(C)n1nccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001080163741 1075984054 /nfs/dbraw/zinc/98/40/54/1075984054.db2.gz YKSFPWGOEMSXSW-KVKFNYHCSA-N 1 2 401.511 1.262 20 0 HDADLO CC(C)n1nccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001080163741 1075984057 /nfs/dbraw/zinc/98/40/57/1075984057.db2.gz YKSFPWGOEMSXSW-KVKFNYHCSA-N 1 2 401.511 1.262 20 0 HDADLO COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001080482705 1075989062 /nfs/dbraw/zinc/98/90/62/1075989062.db2.gz HBTLCQCVJPCHPU-RTYCURFASA-N 1 2 401.507 1.946 20 0 HDADLO COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001080482705 1075989063 /nfs/dbraw/zinc/98/90/63/1075989063.db2.gz HBTLCQCVJPCHPU-RTYCURFASA-N 1 2 401.507 1.946 20 0 HDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000493247966 1075990777 /nfs/dbraw/zinc/99/07/77/1075990777.db2.gz MNLDQTXXCJTIAH-UHFFFAOYSA-N 1 2 420.491 1.037 20 0 HDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000493247966 1075990784 /nfs/dbraw/zinc/99/07/84/1075990784.db2.gz MNLDQTXXCJTIAH-UHFFFAOYSA-N 1 2 420.491 1.037 20 0 HDADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)c(=O)[nH]c1=O ZINC000050274386 1075992359 /nfs/dbraw/zinc/99/23/59/1075992359.db2.gz XQDUFGOMZODJMM-CQSZACIVSA-N 1 2 402.451 1.176 20 0 HDADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)c(=O)[nH]c1=O ZINC000050274386 1075992362 /nfs/dbraw/zinc/99/23/62/1075992362.db2.gz XQDUFGOMZODJMM-CQSZACIVSA-N 1 2 402.451 1.176 20 0 HDADLO O=C(NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001080902892 1075995160 /nfs/dbraw/zinc/99/51/60/1075995160.db2.gz QIGIGNNRKNTBND-QXDIGNSFSA-N 1 2 400.523 1.809 20 0 HDADLO O=C(NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001080902892 1075995164 /nfs/dbraw/zinc/99/51/64/1075995164.db2.gz QIGIGNNRKNTBND-QXDIGNSFSA-N 1 2 400.523 1.809 20 0 HDADLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000733195247 1076002401 /nfs/dbraw/zinc/00/24/01/1076002401.db2.gz HVZBGBXLHHSSQV-CXJKMVGQSA-N 1 2 418.494 1.192 20 0 HDADLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000733195247 1076002406 /nfs/dbraw/zinc/00/24/06/1076002406.db2.gz HVZBGBXLHHSSQV-CXJKMVGQSA-N 1 2 418.494 1.192 20 0 HDADLO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000733318884 1076039343 /nfs/dbraw/zinc/03/93/43/1076039343.db2.gz FMDWKFVXHNWBSX-BQYQJAHWSA-N 1 2 424.519 1.749 20 0 HDADLO CO[C@@H](CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C(F)(F)F ZINC000733345454 1076042857 /nfs/dbraw/zinc/04/28/57/1076042857.db2.gz MTNHAQBOSQZTKG-INIZCTEOSA-N 1 2 405.417 1.774 20 0 HDADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1 ZINC000727093449 1076043144 /nfs/dbraw/zinc/04/31/44/1076043144.db2.gz LFQWRPBCOOUGIH-QVKFZJNVSA-N 1 2 416.478 1.150 20 0 HDADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1 ZINC000727093449 1076043147 /nfs/dbraw/zinc/04/31/47/1076043147.db2.gz LFQWRPBCOOUGIH-QVKFZJNVSA-N 1 2 416.478 1.150 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCc2ccc(F)cc2Cl)CC1 ZINC000733347581 1076043165 /nfs/dbraw/zinc/04/31/65/1076043165.db2.gz DARNSORCFHWPBT-UHFFFAOYSA-N 1 2 405.923 1.830 20 0 HDADLO CO[C@@H](CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C(F)(F)F ZINC000733342342 1076047101 /nfs/dbraw/zinc/04/71/01/1076047101.db2.gz FEUFNLSCKYSECX-INIZCTEOSA-N 1 2 405.417 1.774 20 0 HDADLO CC(C)(CNC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[NH+]1CCOCC1 ZINC000054039703 1076060655 /nfs/dbraw/zinc/06/06/55/1076060655.db2.gz VRUJYEXTGRETFA-IBGZPJMESA-N 1 2 408.518 1.609 20 0 HDADLO CC(C)Cn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1=S ZINC000727166870 1076066867 /nfs/dbraw/zinc/06/68/67/1076066867.db2.gz BGGFYQYGHPBRRA-MRXNPFEDSA-N 1 2 410.588 1.842 20 0 HDADLO CC(C)Cn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1=S ZINC000727166870 1076066878 /nfs/dbraw/zinc/06/68/78/1076066878.db2.gz BGGFYQYGHPBRRA-MRXNPFEDSA-N 1 2 410.588 1.842 20 0 HDADLO NC(=O)CC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000727166864 1076066928 /nfs/dbraw/zinc/06/69/28/1076066928.db2.gz BDALCTANQNUWQG-XSXQVXRUSA-N 1 2 416.522 1.681 20 0 HDADLO NC(=O)CC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)C1 ZINC000727166864 1076066937 /nfs/dbraw/zinc/06/69/37/1076066937.db2.gz BDALCTANQNUWQG-XSXQVXRUSA-N 1 2 416.522 1.681 20 0 HDADLO CCOC(=O)c1ccc2c(c1)n(C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c(=O)n2CC ZINC000727167641 1076067675 /nfs/dbraw/zinc/06/76/75/1076067675.db2.gz XBLBKSIHUFTVOR-HNNXBMFYSA-N 1 2 402.495 1.935 20 0 HDADLO CCOC(=O)c1ccc2c(c1)n(C[N@H+]1CCC[C@@H](CCC(N)=O)C1)c(=O)n2CC ZINC000727167641 1076067681 /nfs/dbraw/zinc/06/76/81/1076067681.db2.gz XBLBKSIHUFTVOR-HNNXBMFYSA-N 1 2 402.495 1.935 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)NC(=O)N[C@H]1c1ccco1 ZINC000727158229 1076071470 /nfs/dbraw/zinc/07/14/70/1076071470.db2.gz IMEBIWZGZPRVFY-ACJLOTCBSA-N 1 2 404.467 1.428 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)NC(=O)N[C@H]1c1ccco1 ZINC000727158229 1076071473 /nfs/dbraw/zinc/07/14/73/1076071473.db2.gz IMEBIWZGZPRVFY-ACJLOTCBSA-N 1 2 404.467 1.428 20 0 HDADLO CCC[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000727227002 1076084702 /nfs/dbraw/zinc/08/47/02/1076084702.db2.gz KWDMYRGICWYNRU-NVXWUHKLSA-N 1 2 408.568 1.821 20 0 HDADLO CCC[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000727227002 1076084710 /nfs/dbraw/zinc/08/47/10/1076084710.db2.gz KWDMYRGICWYNRU-NVXWUHKLSA-N 1 2 408.568 1.821 20 0 HDADLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000727437561 1076121190 /nfs/dbraw/zinc/12/11/90/1076121190.db2.gz TYNIVHWAPLOEKC-GOSISDBHSA-N 1 2 418.494 1.194 20 0 HDADLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000727437561 1076121196 /nfs/dbraw/zinc/12/11/96/1076121196.db2.gz TYNIVHWAPLOEKC-GOSISDBHSA-N 1 2 418.494 1.194 20 0 HDADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000727444941 1076123798 /nfs/dbraw/zinc/12/37/98/1076123798.db2.gz BAYZHRQYYYZEQU-DHZHZOJOSA-N 1 2 416.341 1.550 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000727603155 1076177094 /nfs/dbraw/zinc/17/70/94/1076177094.db2.gz FNGLPTLKWWNXOU-HOCLYGCPSA-N 1 2 419.444 1.807 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000727603155 1076177098 /nfs/dbraw/zinc/17/70/98/1076177098.db2.gz FNGLPTLKWWNXOU-HOCLYGCPSA-N 1 2 419.444 1.807 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2[nH]c1=S ZINC000727742150 1076216852 /nfs/dbraw/zinc/21/68/52/1076216852.db2.gz ZTDQMONGYALOLE-CYBMUJFWSA-N 1 2 404.536 1.934 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)cc2[nH]c1=S ZINC000727742150 1076216854 /nfs/dbraw/zinc/21/68/54/1076216854.db2.gz ZTDQMONGYALOLE-CYBMUJFWSA-N 1 2 404.536 1.934 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000534583501 1076249136 /nfs/dbraw/zinc/24/91/36/1076249136.db2.gz ADQIFWVUJKRHIM-IBGZPJMESA-N 1 2 407.474 1.848 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000534583501 1076249141 /nfs/dbraw/zinc/24/91/41/1076249141.db2.gz ADQIFWVUJKRHIM-IBGZPJMESA-N 1 2 407.474 1.848 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000534840223 1076249705 /nfs/dbraw/zinc/24/97/05/1076249705.db2.gz DVRRKOKLLVBCBC-VQTJNVASSA-N 1 2 402.516 1.596 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534840223 1076249709 /nfs/dbraw/zinc/24/97/09/1076249709.db2.gz DVRRKOKLLVBCBC-VQTJNVASSA-N 1 2 402.516 1.596 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000535276792 1076251288 /nfs/dbraw/zinc/25/12/88/1076251288.db2.gz KZEMJIMKRKPUNJ-LJQANCHMSA-N 1 2 420.469 1.577 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000535276792 1076251293 /nfs/dbraw/zinc/25/12/93/1076251293.db2.gz KZEMJIMKRKPUNJ-LJQANCHMSA-N 1 2 420.469 1.577 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1 ZINC000535275162 1076251470 /nfs/dbraw/zinc/25/14/70/1076251470.db2.gz DYCMKZRUFDHUFQ-HNNXBMFYSA-N 1 2 408.380 1.652 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)C1 ZINC000535275162 1076251473 /nfs/dbraw/zinc/25/14/73/1076251473.db2.gz DYCMKZRUFDHUFQ-HNNXBMFYSA-N 1 2 408.380 1.652 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000536031357 1076254357 /nfs/dbraw/zinc/25/43/57/1076254357.db2.gz HNRSIVCIDKRSIP-FQEVSTJZSA-N 1 2 422.485 1.400 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000536031357 1076254367 /nfs/dbraw/zinc/25/43/67/1076254367.db2.gz HNRSIVCIDKRSIP-FQEVSTJZSA-N 1 2 422.485 1.400 20 0 HDADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000536071099 1076255248 /nfs/dbraw/zinc/25/52/48/1076255248.db2.gz ONAYGNYRJVYLIZ-IBGZPJMESA-N 1 2 410.474 1.443 20 0 HDADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000536071099 1076255251 /nfs/dbraw/zinc/25/52/51/1076255251.db2.gz ONAYGNYRJVYLIZ-IBGZPJMESA-N 1 2 410.474 1.443 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccnn1-c1ccccc1 ZINC000536616248 1076256645 /nfs/dbraw/zinc/25/66/45/1076256645.db2.gz JIJYFLHODHMQSF-UHFFFAOYSA-N 1 2 418.501 1.749 20 0 HDADLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCC2OCCCO2)CC1 ZINC000766195251 1076257863 /nfs/dbraw/zinc/25/78/63/1076257863.db2.gz ZNGUHCASMHCBQG-UHFFFAOYSA-N 1 2 404.916 1.808 20 0 HDADLO O=C(C1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1)N1CCc2ccccc21 ZINC000727820254 1076267394 /nfs/dbraw/zinc/26/73/94/1076267394.db2.gz XAGPHYJHRYGWKG-UHFFFAOYSA-N 1 2 412.490 1.346 20 0 HDADLO O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N1CC(n2cc[nH+]c2)C1 ZINC000733983765 1076282948 /nfs/dbraw/zinc/28/29/48/1076282948.db2.gz QJZZOYIDMOLPFH-JYRVWZFOSA-N 1 2 400.504 1.979 20 0 HDADLO CC(C)C[C@H](C)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000727884603 1076283830 /nfs/dbraw/zinc/28/38/30/1076283830.db2.gz XFEQYRZALVDIFI-HNNXBMFYSA-N 1 2 402.499 1.627 20 0 HDADLO COC[C@@H](C)NC(=S)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000727978109 1076302443 /nfs/dbraw/zinc/30/24/43/1076302443.db2.gz FWJYXIRIVFCRKB-QGZVFWFLSA-N 1 2 422.595 1.271 20 0 HDADLO C[C@@H](CC1CCCC1)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000734055737 1076303681 /nfs/dbraw/zinc/30/36/81/1076303681.db2.gz YKPMVBDKNNXZCE-HNNXBMFYSA-N 1 2 414.510 1.772 20 0 HDADLO COc1ccc(F)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC001083148741 1076307396 /nfs/dbraw/zinc/30/73/96/1076307396.db2.gz CXYQAWZUHCXBNL-FHCSPTRPSA-N 1 2 402.466 1.669 20 0 HDADLO COc1ccc(F)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC001083148741 1076307402 /nfs/dbraw/zinc/30/74/02/1076307402.db2.gz CXYQAWZUHCXBNL-FHCSPTRPSA-N 1 2 402.466 1.669 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]21 ZINC001083148848 1076307927 /nfs/dbraw/zinc/30/79/27/1076307927.db2.gz JPUNPNCUKCFVDU-ZHHZFAINSA-N 1 2 420.513 1.707 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]21 ZINC001083148848 1076307930 /nfs/dbraw/zinc/30/79/30/1076307930.db2.gz JPUNPNCUKCFVDU-ZHHZFAINSA-N 1 2 420.513 1.707 20 0 HDADLO COc1ccccc1C[NH+]1CCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000728048983 1076319308 /nfs/dbraw/zinc/31/93/08/1076319308.db2.gz DDTNOWZTGHQINQ-FQEVSTJZSA-N 1 2 408.502 1.933 20 0 HDADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 ZINC000728049275 1076319416 /nfs/dbraw/zinc/31/94/16/1076319416.db2.gz FDMNEISQENFEDC-UZLBHIALSA-N 1 2 402.451 1.479 20 0 HDADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 ZINC000728049275 1076319422 /nfs/dbraw/zinc/31/94/22/1076319422.db2.gz FDMNEISQENFEDC-UZLBHIALSA-N 1 2 402.451 1.479 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728121666 1076338352 /nfs/dbraw/zinc/33/83/52/1076338352.db2.gz ROMIXUGAUFXJPB-FQEVSTJZSA-N 1 2 424.542 1.992 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000497780618 1076352981 /nfs/dbraw/zinc/35/29/81/1076352981.db2.gz SWTJDBUDASQYPY-HXUWFJFHSA-N 1 2 402.516 1.862 20 0 HDADLO CS(=O)(=O)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000497780618 1076352986 /nfs/dbraw/zinc/35/29/86/1076352986.db2.gz SWTJDBUDASQYPY-HXUWFJFHSA-N 1 2 402.516 1.862 20 0 HDADLO O=C(N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1)[C@@]1(O)CCSC1 ZINC000497894344 1076353029 /nfs/dbraw/zinc/35/30/29/1076353029.db2.gz AKSRIICVMQGLIO-GOSISDBHSA-N 1 2 408.549 1.743 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@H]1C1OCCO1)NCc1ccccc1CN1CCCC1=O ZINC000728172638 1076364135 /nfs/dbraw/zinc/36/41/35/1076364135.db2.gz HGGIHBPBCNQEQR-IBGZPJMESA-N 1 2 401.507 1.653 20 0 HDADLO O=C(C[N@H+]1CCCC[C@H]1C1OCCO1)NCc1ccccc1CN1CCCC1=O ZINC000728172638 1076364145 /nfs/dbraw/zinc/36/41/45/1076364145.db2.gz HGGIHBPBCNQEQR-IBGZPJMESA-N 1 2 401.507 1.653 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3ccc(C)s3)C2=O)c1 ZINC000728172646 1076364441 /nfs/dbraw/zinc/36/44/41/1076364441.db2.gz HPSGYAZJSICLRC-HXUWFJFHSA-N 1 2 416.503 1.995 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3ccc(C)s3)C2=O)c1 ZINC000728172646 1076364450 /nfs/dbraw/zinc/36/44/50/1076364450.db2.gz HPSGYAZJSICLRC-HXUWFJFHSA-N 1 2 416.503 1.995 20 0 HDADLO C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CN2CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000729989544 1076408746 /nfs/dbraw/zinc/40/87/46/1076408746.db2.gz XRQZGGMIABTZDL-INIZCTEOSA-N 1 2 410.478 1.047 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000730120195 1076464124 /nfs/dbraw/zinc/46/41/24/1076464124.db2.gz DQXLBMWVOCYBAC-DNVCBOLYSA-N 1 2 414.572 1.503 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000730228672 1076485559 /nfs/dbraw/zinc/48/55/59/1076485559.db2.gz VTLHAHSMXPCHMN-PKOBYXMFSA-N 1 2 404.555 1.875 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[NH+]3CCC(C(=O)N(C)C)CC3)C2=O)cc1 ZINC000730253151 1076499152 /nfs/dbraw/zinc/49/91/52/1076499152.db2.gz RZXSBEVQFIEAKP-NRFANRHFSA-N 1 2 402.495 1.306 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000730261816 1076502583 /nfs/dbraw/zinc/50/25/83/1076502583.db2.gz FLAXOTQDOSMCTL-SFHVURJKSA-N 1 2 416.522 1.794 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000730261816 1076502587 /nfs/dbraw/zinc/50/25/87/1076502587.db2.gz FLAXOTQDOSMCTL-SFHVURJKSA-N 1 2 416.522 1.794 20 0 HDADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000730263010 1076503410 /nfs/dbraw/zinc/50/34/10/1076503410.db2.gz BSGQCCVIGCFAMB-AWEZNQCLSA-N 1 2 423.510 1.928 20 0 HDADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000730263010 1076503417 /nfs/dbraw/zinc/50/34/17/1076503417.db2.gz BSGQCCVIGCFAMB-AWEZNQCLSA-N 1 2 423.510 1.928 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000730262458 1076503661 /nfs/dbraw/zinc/50/36/61/1076503661.db2.gz DCCQWAIWUWDAGG-CYBMUJFWSA-N 1 2 406.439 1.662 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000730262458 1076503664 /nfs/dbraw/zinc/50/36/64/1076503664.db2.gz DCCQWAIWUWDAGG-CYBMUJFWSA-N 1 2 406.439 1.662 20 0 HDADLO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000730263486 1076505168 /nfs/dbraw/zinc/50/51/68/1076505168.db2.gz VGZKNOPNNOSTJY-MRXNPFEDSA-N 1 2 407.511 1.962 20 0 HDADLO COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000730263486 1076505175 /nfs/dbraw/zinc/50/51/75/1076505175.db2.gz VGZKNOPNNOSTJY-MRXNPFEDSA-N 1 2 407.511 1.962 20 0 HDADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)[NH+]1CCOCC1 ZINC000730384898 1076565931 /nfs/dbraw/zinc/56/59/31/1076565931.db2.gz HHKPUBABOPNCMG-QGZVFWFLSA-N 1 2 403.458 1.423 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000730506512 1076583103 /nfs/dbraw/zinc/58/31/03/1076583103.db2.gz MOMLHPFWSKPFSX-UHFFFAOYSA-N 1 2 415.519 1.576 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571262 1076605581 /nfs/dbraw/zinc/60/55/81/1076605581.db2.gz PGIUCBRCFLLRGQ-JKSUJKDBSA-N 1 2 409.556 1.119 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571262 1076605594 /nfs/dbraw/zinc/60/55/94/1076605594.db2.gz PGIUCBRCFLLRGQ-JKSUJKDBSA-N 1 2 409.556 1.119 20 0 HDADLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000730571427 1076606164 /nfs/dbraw/zinc/60/61/64/1076606164.db2.gz ZMQSWQYAAHIYDK-IBGZPJMESA-N 1 2 418.538 1.921 20 0 HDADLO Cn1c(C2CC2)nn(CN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)c1=S ZINC000731206798 1076755133 /nfs/dbraw/zinc/75/51/33/1076755133.db2.gz GQMOVKJTGKYFES-UHFFFAOYSA-N 1 2 418.542 1.973 20 0 HDADLO Cc1cccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1C ZINC000521278142 569059232 /nfs/dbraw/zinc/05/92/32/569059232.db2.gz GEDPCQVNVPGROC-GOSISDBHSA-N 1 2 409.534 1.880 20 0 HDADLO O=C(c1cccnc1N1CCS(=O)(=O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164427518 718958369 /nfs/dbraw/zinc/95/83/69/718958369.db2.gz DDXFHNQGIBZEKX-UHFFFAOYSA-N 1 2 414.531 1.274 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(-c4cccnc4F)n3)CC2)C1=O ZINC001164642173 719277230 /nfs/dbraw/zinc/27/72/30/719277230.db2.gz XUIOQAKSKGOKSP-UHFFFAOYSA-N 1 2 414.485 1.437 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(-c4cccnc4F)n3)CC2)C1=O ZINC001164642173 719277232 /nfs/dbraw/zinc/27/72/32/719277232.db2.gz XUIOQAKSKGOKSP-UHFFFAOYSA-N 1 2 414.485 1.437 20 0 HDADLO CCOC(=O)c1c(C)cc(N2CCn3c(CN4CCOCC4)nnc3C2)[nH+]c1C ZINC001164678406 719581320 /nfs/dbraw/zinc/58/13/20/719581320.db2.gz LRFQSBYHEWOFFF-UHFFFAOYSA-N 1 2 400.483 1.319 20 0 HDADLO CCOC(=O)Cc1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706052 719843881 /nfs/dbraw/zinc/84/38/81/719843881.db2.gz WDQRXJANJDIYJC-DYESRHJHSA-N 1 2 405.495 1.420 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164705835 719844233 /nfs/dbraw/zinc/84/42/33/719844233.db2.gz WBMMAUYBWQBYCO-YWZLYKJASA-N 1 2 409.458 1.630 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cccc(OC)c2n1 ZINC001164702580 719856354 /nfs/dbraw/zinc/85/63/54/719856354.db2.gz OASWPYBKEIBROB-IERDGZPVSA-N 1 2 400.479 1.871 20 0 HDADLO CCOc1ccc(C(=O)OC)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164699428 719858397 /nfs/dbraw/zinc/85/83/97/719858397.db2.gz FDBWILICNWCYND-QVKFZJNVSA-N 1 2 421.494 1.500 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(N2CCCCC2)n1 ZINC001164698762 719861136 /nfs/dbraw/zinc/86/11/36/719861136.db2.gz DNUCUZPIGVDUHK-LAUBAEHRSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2nc(C)no2)cn1 ZINC001164701237 719870465 /nfs/dbraw/zinc/87/04/65/719870465.db2.gz GHCLUVWKJMNSBB-OXQOHEQNSA-N 1 2 401.467 1.673 20 0 HDADLO COC(=O)c1nc(Cl)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164707803 719873529 /nfs/dbraw/zinc/87/35/29/719873529.db2.gz VNXXOHDGOYXQLI-KPZWWZAWSA-N 1 2 412.874 1.149 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164709271 719906037 /nfs/dbraw/zinc/90/60/37/719906037.db2.gz SDYGMIJEPXCYLE-UHFFFAOYSA-N 1 2 409.469 1.453 20 0 HDADLO COc1cccc2c1ccnc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708214 719928030 /nfs/dbraw/zinc/92/80/30/719928030.db2.gz FKHOBNLEBJLWFK-UHFFFAOYSA-N 1 2 420.517 1.927 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164704181 720047508 /nfs/dbraw/zinc/04/75/08/720047508.db2.gz OMCHDYWEPZVYIW-LJQANCHMSA-N 1 2 422.892 1.546 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)OC)cc3Cl)C2)C1 ZINC001164718911 720210260 /nfs/dbraw/zinc/21/02/60/720210260.db2.gz OVYHHYJKWQTWEV-LJQANCHMSA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)OC)cc3Cl)C2)C1 ZINC001164718911 720210268 /nfs/dbraw/zinc/21/02/68/720210268.db2.gz OVYHHYJKWQTWEV-LJQANCHMSA-N 1 2 410.902 1.186 20 0 HDADLO NC(=O)c1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164831512 720397321 /nfs/dbraw/zinc/39/73/21/720397321.db2.gz VTIDQHULHXMHDV-UHFFFAOYSA-N 1 2 422.827 1.625 20 0 HDADLO COc1cnc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826203 720430837 /nfs/dbraw/zinc/43/08/37/720430837.db2.gz OTXPMKDHRDRDPB-AWEZNQCLSA-N 1 2 422.917 1.325 20 0 HDADLO COc1cc(Cl)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824092 720437042 /nfs/dbraw/zinc/43/70/42/720437042.db2.gz LTDCDQXXTWEBGR-HNNXBMFYSA-N 1 2 421.929 1.930 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(Cl)[n+]1[O-])C2 ZINC001164821977 720445991 /nfs/dbraw/zinc/44/59/91/720445991.db2.gz BNVXVLDAJIGPHW-HNNXBMFYSA-N 1 2 407.902 1.160 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3ncccc3n1)C2 ZINC001164826258 720449097 /nfs/dbraw/zinc/44/90/97/720449097.db2.gz VGLQJGCGWREXKY-QGZVFWFLSA-N 1 2 408.506 1.816 20 0 HDADLO CC(C)c1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833050 720461817 /nfs/dbraw/zinc/46/18/17/720461817.db2.gz XIOWXRHIKZGPRA-QGZVFWFLSA-N 1 2 400.527 1.786 20 0 HDADLO O=S1(=O)CCc2nc(Cl)nc(N3CCc4[nH+]cc(CN5CCCC5)n4CC3)c21 ZINC001164747083 720596605 /nfs/dbraw/zinc/59/66/05/720596605.db2.gz ZAPGMZHTLWJZFK-UHFFFAOYSA-N 1 2 422.942 1.315 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164857947 720895496 /nfs/dbraw/zinc/89/54/96/720895496.db2.gz LLDVXGVRIFXBEP-UHFFFAOYSA-N 1 2 407.812 1.887 20 0 HDADLO COC(=O)c1ccc(C)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911269 721772203 /nfs/dbraw/zinc/77/22/03/721772203.db2.gz GCBNSQVBWIQGQS-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1ccc(C)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911269 721772204 /nfs/dbraw/zinc/77/22/04/721772204.db2.gz GCBNSQVBWIQGQS-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)Cc1cccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916244 721781120 /nfs/dbraw/zinc/78/11/20/721781120.db2.gz PCDHTUUMWXMKLO-QFIPXVFZSA-N 1 2 412.490 1.300 20 0 HDADLO COC(=O)Cc1cccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916244 721781124 /nfs/dbraw/zinc/78/11/24/721781124.db2.gz PCDHTUUMWXMKLO-QFIPXVFZSA-N 1 2 412.490 1.300 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cc(OCC5CC5)ncn4)CCO3)C2)c1 ZINC001164916003 721786967 /nfs/dbraw/zinc/78/69/67/721786967.db2.gz NGUOGGOXDNHLBJ-QFIPXVFZSA-N 1 2 411.506 1.768 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cc(OCC5CC5)ncn4)CCO3)C2)c1 ZINC001164916003 721786971 /nfs/dbraw/zinc/78/69/71/721786971.db2.gz NGUOGGOXDNHLBJ-QFIPXVFZSA-N 1 2 411.506 1.768 20 0 HDADLO CCN(CC)c1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914493 721789745 /nfs/dbraw/zinc/78/97/45/721789745.db2.gz DPPMEGSBLREUFO-JOCHJYFZSA-N 1 2 412.538 1.826 20 0 HDADLO CCN(CC)c1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914493 721789750 /nfs/dbraw/zinc/78/97/50/721789750.db2.gz DPPMEGSBLREUFO-JOCHJYFZSA-N 1 2 412.538 1.826 20 0 HDADLO c1nnc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)o1 ZINC001164913172 721796816 /nfs/dbraw/zinc/79/68/16/721796816.db2.gz AHJWGPTVIJHNHI-NRFANRHFSA-N 1 2 408.462 1.634 20 0 HDADLO c1nnc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)o1 ZINC001164913172 721796821 /nfs/dbraw/zinc/79/68/21/721796821.db2.gz AHJWGPTVIJHNHI-NRFANRHFSA-N 1 2 408.462 1.634 20 0 HDADLO COc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2c1ccn2C ZINC001164913967 721800582 /nfs/dbraw/zinc/80/05/82/721800582.db2.gz JHDHTKDMZVYIHM-JOCHJYFZSA-N 1 2 424.505 1.480 20 0 HDADLO COc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2c1ccn2C ZINC001164913967 721800583 /nfs/dbraw/zinc/80/05/83/721800583.db2.gz JHDHTKDMZVYIHM-JOCHJYFZSA-N 1 2 424.505 1.480 20 0 HDADLO F[C@@H](Oc1ccc(Cl)nn1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913752 721801397 /nfs/dbraw/zinc/80/13/97/721801397.db2.gz GUCDFISLHOLWNI-RTBURBONSA-N 1 2 423.876 1.760 20 0 HDADLO F[C@@H](Oc1ccc(Cl)nn1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913752 721801398 /nfs/dbraw/zinc/80/13/98/721801398.db2.gz GUCDFISLHOLWNI-RTBURBONSA-N 1 2 423.876 1.760 20 0 HDADLO CCNS(=O)(=O)c1cccnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918244 721816972 /nfs/dbraw/zinc/81/69/72/721816972.db2.gz KZKVENFHXUKJDH-UHFFFAOYSA-N 1 2 404.540 1.326 20 0 HDADLO CCOC(=O)Cc1cc[nH+]c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)c1 ZINC001164935385 721910120 /nfs/dbraw/zinc/91/01/20/721910120.db2.gz GQFKOFDKZBKLSE-UHFFFAOYSA-N 1 2 413.522 1.792 20 0 HDADLO CC1(C)C(=O)NCCN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165051211 721994805 /nfs/dbraw/zinc/99/48/05/721994805.db2.gz DNCKBZUVEKLFBL-UHFFFAOYSA-N 1 2 407.518 1.754 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974060 722108841 /nfs/dbraw/zinc/10/88/41/722108841.db2.gz IJUHATLHRQVVAU-QZTJIDSGSA-N 1 2 402.520 1.607 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974060 722108843 /nfs/dbraw/zinc/10/88/43/722108843.db2.gz IJUHATLHRQVVAU-QZTJIDSGSA-N 1 2 402.520 1.607 20 0 HDADLO CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000429053875 1073476939 /nfs/dbraw/zinc/47/69/39/1073476939.db2.gz NZQJSMRHHVLDLE-LJQANCHMSA-N 1 2 406.596 1.702 20 0 HDADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000429085096 1073529958 /nfs/dbraw/zinc/52/99/58/1073529958.db2.gz XXEALLLGDBNGND-MAUKXSAKSA-N 1 2 410.540 1.625 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000625179120 1073544499 /nfs/dbraw/zinc/54/44/99/1073544499.db2.gz HRLZDERJQHGCSL-UHFFFAOYSA-N 1 2 413.543 1.663 20 0 HDADLO CS(=O)(=O)c1nc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c2ccccn21 ZINC000625183866 1073551394 /nfs/dbraw/zinc/55/13/94/1073551394.db2.gz OKYBKLJKVYJTHO-HNNXBMFYSA-N 1 2 406.508 1.065 20 0 HDADLO CS(=O)(=O)c1nc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c2ccccn21 ZINC000625183866 1073551401 /nfs/dbraw/zinc/55/14/01/1073551401.db2.gz OKYBKLJKVYJTHO-HNNXBMFYSA-N 1 2 406.508 1.065 20 0 HDADLO CCOC1CC(CNC(=O)NCCc2cccc(C(=O)NC)c2)([NH+]2CCOCC2)C1 ZINC000429097245 1073567393 /nfs/dbraw/zinc/56/73/93/1073567393.db2.gz METVMPVFXXQUEA-UHFFFAOYSA-N 1 2 418.538 1.158 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccn1 ZINC000509125846 1073620264 /nfs/dbraw/zinc/62/02/64/1073620264.db2.gz MTZOKFJBBUCPAD-NRFANRHFSA-N 1 2 414.462 1.027 20 0 HDADLO COc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)cc1 ZINC000673673005 1073628133 /nfs/dbraw/zinc/62/81/33/1073628133.db2.gz ORXGKURRYWXLFC-SFTDATJTSA-N 1 2 408.502 1.972 20 0 HDADLO COc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2=O)cc1 ZINC000673673005 1073628138 /nfs/dbraw/zinc/62/81/38/1073628138.db2.gz ORXGKURRYWXLFC-SFTDATJTSA-N 1 2 408.502 1.972 20 0 HDADLO CNC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001299284829 1073638062 /nfs/dbraw/zinc/63/80/62/1073638062.db2.gz JFIPLHMOTIDRCY-KRWDZBQOSA-N 1 2 419.574 1.193 20 0 HDADLO CNC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001299284829 1073638067 /nfs/dbraw/zinc/63/80/67/1073638067.db2.gz JFIPLHMOTIDRCY-KRWDZBQOSA-N 1 2 419.574 1.193 20 0 HDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000509131810 1073673030 /nfs/dbraw/zinc/67/30/30/1073673030.db2.gz JNTLHMMAUYBQBB-AWEZNQCLSA-N 1 2 401.496 1.911 20 0 HDADLO COc1cccc(Oc2ncccc2CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000509128661 1073675547 /nfs/dbraw/zinc/67/55/47/1073675547.db2.gz HHVZFVNFAZENHU-MRXNPFEDSA-N 1 2 421.457 1.826 20 0 HDADLO Cc1cccn2cc(CCNC(=O)[C@@H]3CCCCN3C(=O)c3ccc(=O)[nH]n3)[nH+]c12 ZINC000673746847 1073682261 /nfs/dbraw/zinc/68/22/61/1073682261.db2.gz CCNIOGRTTGZZLG-KRWDZBQOSA-N 1 2 408.462 1.492 20 0 HDADLO COCCOc1cncc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000509133468 1073687497 /nfs/dbraw/zinc/68/74/97/1073687497.db2.gz YOKHDTRXPDACGW-UHFFFAOYSA-N 1 2 412.490 1.940 20 0 HDADLO COC(=O)c1sc2nc(C)nc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)c2c1C ZINC000028800768 1073693448 /nfs/dbraw/zinc/69/34/48/1073693448.db2.gz ZXVWCYBCYONNMZ-LBPRGKRZSA-N 1 2 417.535 1.884 20 0 HDADLO Cc1cccn2cc(CCNC(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)[nH+]c12 ZINC000673761866 1073702240 /nfs/dbraw/zinc/70/22/40/1073702240.db2.gz JHSSHZUOODBIJV-UHFFFAOYSA-N 1 2 408.462 1.612 20 0 HDADLO CCCCn1c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000509139808 1073705162 /nfs/dbraw/zinc/70/51/62/1073705162.db2.gz RAFXVEKHVLBCJJ-NVXWUHKLSA-N 1 2 411.506 1.960 20 0 HDADLO CCCCn1c(C[N@H+]2C[C@@H](C)[C@H](O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000509139808 1073705169 /nfs/dbraw/zinc/70/51/69/1073705169.db2.gz RAFXVEKHVLBCJJ-NVXWUHKLSA-N 1 2 411.506 1.960 20 0 HDADLO CCN(CC1CC1)S(=O)(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766027908 1073707086 /nfs/dbraw/zinc/70/70/86/1073707086.db2.gz PKFBCOLWGLGYKZ-UHFFFAOYSA-N 1 2 404.577 1.496 20 0 HDADLO CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000673781940 1073720029 /nfs/dbraw/zinc/72/00/29/1073720029.db2.gz LAXNDVAQPNZBCL-HNNXBMFYSA-N 1 2 422.913 1.304 20 0 HDADLO Cc1nccc(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)c2)n1 ZINC000673782930 1073722744 /nfs/dbraw/zinc/72/27/44/1073722744.db2.gz DAADIRRUSQLALL-LJQANCHMSA-N 1 2 409.490 1.714 20 0 HDADLO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673786292 1073731212 /nfs/dbraw/zinc/73/12/12/1073731212.db2.gz DUQYTIYGFFODLR-UHFFFAOYSA-N 1 2 407.474 1.998 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(CS(C)(=O)=O)c3)[nH+]c12 ZINC000673787707 1073740087 /nfs/dbraw/zinc/74/00/87/1073740087.db2.gz VPYKABKWQFPECP-UHFFFAOYSA-N 1 2 414.487 1.485 20 0 HDADLO CCNC(=O)COc1cccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673787998 1073743170 /nfs/dbraw/zinc/74/31/70/1073743170.db2.gz FFOOAKHUBCAXSV-UHFFFAOYSA-N 1 2 423.473 1.455 20 0 HDADLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)C1=O ZINC000766032126 1073753525 /nfs/dbraw/zinc/75/35/25/1073753525.db2.gz OPJQTRLPLJDVTL-QRWLVFNGSA-N 1 2 405.499 1.588 20 0 HDADLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)C1=O ZINC000766032126 1073753532 /nfs/dbraw/zinc/75/35/32/1073753532.db2.gz OPJQTRLPLJDVTL-QRWLVFNGSA-N 1 2 405.499 1.588 20 0 HDADLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000029334185 1073794276 /nfs/dbraw/zinc/79/42/76/1073794276.db2.gz GSMVYEDHQDXOQM-UHFFFAOYSA-N 1 2 401.488 1.832 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000673872207 1073838591 /nfs/dbraw/zinc/83/85/91/1073838591.db2.gz LEWAFCQTOCDPRU-INIZCTEOSA-N 1 2 420.464 1.894 20 0 HDADLO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000673905724 1073877899 /nfs/dbraw/zinc/87/78/99/1073877899.db2.gz OAKITABIQMKCRB-OAHLLOKOSA-N 1 2 418.885 1.010 20 0 HDADLO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000673905724 1073877911 /nfs/dbraw/zinc/87/79/11/1073877911.db2.gz OAKITABIQMKCRB-OAHLLOKOSA-N 1 2 418.885 1.010 20 0 HDADLO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2F)CC1)c1nnnn1-c1ccccc1 ZINC000543501628 1073882620 /nfs/dbraw/zinc/88/26/20/1073882620.db2.gz ZIKVCGNATYJEMI-MRXNPFEDSA-N 1 2 409.469 1.801 20 0 HDADLO COC(=O)[C@H](CC(C)C)N(C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000429163083 1073887029 /nfs/dbraw/zinc/88/70/29/1073887029.db2.gz YUWPYBBTHRNFJP-FQEVSTJZSA-N 1 2 405.539 1.859 20 0 HDADLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cs1 ZINC000543504400 1073890534 /nfs/dbraw/zinc/89/05/34/1073890534.db2.gz CAJJBJUAZCQUSZ-OLZOCXBDSA-N 1 2 410.565 1.751 20 0 HDADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000543503851 1073894028 /nfs/dbraw/zinc/89/40/28/1073894028.db2.gz QMGZZJIYPBAALR-KKUMJFAQSA-N 1 2 415.581 1.551 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+](CCO)CCN2CCOCC2)c(Br)c1 ZINC000484376775 1073960172 /nfs/dbraw/zinc/96/01/72/1073960172.db2.gz JTBWLWUMBPYGES-UHFFFAOYSA-N 1 2 400.317 1.323 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)c(Br)c1 ZINC000484376775 1073960175 /nfs/dbraw/zinc/96/01/75/1073960175.db2.gz JTBWLWUMBPYGES-UHFFFAOYSA-N 1 2 400.317 1.323 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c(C)nnc2N2CC[C@@H](OCCOC)C2)nc[nH+]1 ZINC001299290534 1073968503 /nfs/dbraw/zinc/96/85/03/1073968503.db2.gz LCNSQIMQWUQCOE-DLBZAZTESA-N 1 2 416.530 1.329 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c(C)nnc2N2CC[C@@H](OCCOC)C2)[nH+]cn1 ZINC001299290534 1073968507 /nfs/dbraw/zinc/96/85/07/1073968507.db2.gz LCNSQIMQWUQCOE-DLBZAZTESA-N 1 2 416.530 1.329 20 0 HDADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001005024178 1073970214 /nfs/dbraw/zinc/97/02/14/1073970214.db2.gz VGSXXLYZFOWOPW-QQXKLLMISA-N 1 2 400.523 1.825 20 0 HDADLO CN(C(=O)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000673986621 1073998938 /nfs/dbraw/zinc/99/89/38/1073998938.db2.gz AVRBFFQSKCVWKS-UHFFFAOYSA-N 1 2 415.538 1.987 20 0 HDADLO O=C(Nc1cccc(NC(=O)c2cccs2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543525851 1074007858 /nfs/dbraw/zinc/00/78/58/1074007858.db2.gz JJRHFLMNDQFJAZ-UHFFFAOYSA-N 1 2 402.476 1.075 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCOc2ccc(C(N)=O)cc2)CC1 ZINC000673988510 1074008201 /nfs/dbraw/zinc/00/82/01/1074008201.db2.gz UZMCHIVFKCKJIX-UHFFFAOYSA-N 1 2 410.474 1.581 20 0 HDADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466578640 1074010594 /nfs/dbraw/zinc/01/05/94/1074010594.db2.gz OAVFBMORNAFECF-CVEARBPZSA-N 1 2 409.893 1.863 20 0 HDADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466578640 1074010602 /nfs/dbraw/zinc/01/06/02/1074010602.db2.gz OAVFBMORNAFECF-CVEARBPZSA-N 1 2 409.893 1.863 20 0 HDADLO O=C(Nc1ccccc1Nc1c(F)cccc1F)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529280 1074016975 /nfs/dbraw/zinc/01/69/75/1074016975.db2.gz OJMPWZBERQXEFK-UHFFFAOYSA-N 1 2 404.417 1.783 20 0 HDADLO O=C(Nc1ccc(CN2CCc3ccccc32)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529947 1074020218 /nfs/dbraw/zinc/02/02/18/1074020218.db2.gz PZVZMTMJMHJLMT-UHFFFAOYSA-N 1 2 408.502 1.324 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000014731173 1074025563 /nfs/dbraw/zinc/02/55/63/1074025563.db2.gz IXFKNBCHQZASRR-UHFFFAOYSA-N 1 2 402.256 1.483 20 0 HDADLO COc1ccc2c(c1)[C@@H](NC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CCO2 ZINC000466589021 1074037996 /nfs/dbraw/zinc/03/79/96/1074037996.db2.gz YHDKZARUTNFPPC-SFHVURJKSA-N 1 2 412.494 1.430 20 0 HDADLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000543549615 1074073882 /nfs/dbraw/zinc/07/38/82/1074073882.db2.gz ULQQKMUNFDFQOS-CQSZACIVSA-N 1 2 414.491 1.512 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC ZINC000674025811 1074085658 /nfs/dbraw/zinc/08/56/58/1074085658.db2.gz XYKSMPLCHFCLEW-MRXNPFEDSA-N 1 2 418.581 1.523 20 0 HDADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccc3c[nH+]cn3c2)cn1 ZINC001626096867 1074096549 /nfs/dbraw/zinc/09/65/49/1074096549.db2.gz GTCAJOQXZAQMJN-UHFFFAOYSA-N 1 2 416.488 1.860 20 0 HDADLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N3CCOCC3)CC2)cc1 ZINC000059373980 1074146547 /nfs/dbraw/zinc/14/65/47/1074146547.db2.gz ZUNFRCHQDIXGLI-GOSISDBHSA-N 1 2 423.579 1.755 20 0 HDADLO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccon1 ZINC000543575728 1074153511 /nfs/dbraw/zinc/15/35/11/1074153511.db2.gz ZYFSNNDWFFRELZ-OAHLLOKOSA-N 1 2 418.519 1.347 20 0 HDADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3cc(C)no3)CC2)c(OC)c1 ZINC000032491251 1074169809 /nfs/dbraw/zinc/16/98/09/1074169809.db2.gz ZQKNTYXNFOITRK-QGZVFWFLSA-N 1 2 419.478 1.336 20 0 HDADLO C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000674199983 1074215713 /nfs/dbraw/zinc/21/57/13/1074215713.db2.gz OXRDHXOQLDUKQV-HNNXBMFYSA-N 1 2 410.474 1.596 20 0 HDADLO NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000674202847 1074217647 /nfs/dbraw/zinc/21/76/47/1074217647.db2.gz WOGNVTCHNKAPIR-QGZVFWFLSA-N 1 2 424.505 1.387 20 0 HDADLO O=C(C[C@@H]1C(=O)Nc2ccc(Br)cc21)NCC1([NH+]2CCOCC2)CC1 ZINC001128661501 1074224700 /nfs/dbraw/zinc/22/47/00/1074224700.db2.gz NRXWJVMQTDTXEB-AWEZNQCLSA-N 1 2 408.296 1.856 20 0 HDADLO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)c1ccncc1 ZINC000674224619 1074233090 /nfs/dbraw/zinc/23/30/90/1074233090.db2.gz CFMSVORCQHLFAV-INIZCTEOSA-N 1 2 409.490 1.328 20 0 HDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674437933 1074335749 /nfs/dbraw/zinc/33/57/49/1074335749.db2.gz FTHPLPGTUOXYOC-QLVMHMETSA-N 1 2 414.510 1.190 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2COC)c1 ZINC000674467323 1074364816 /nfs/dbraw/zinc/36/48/16/1074364816.db2.gz RDMYLHDUYCLJEY-HNNXBMFYSA-N 1 2 413.540 1.775 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2COC)c1 ZINC000674467323 1074364825 /nfs/dbraw/zinc/36/48/25/1074364825.db2.gz RDMYLHDUYCLJEY-HNNXBMFYSA-N 1 2 413.540 1.775 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CCN2C1=O ZINC000674468907 1074367491 /nfs/dbraw/zinc/36/74/91/1074367491.db2.gz SVXQQEQFNXFFBE-HZPDHXFCSA-N 1 2 422.432 1.752 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CCN2C1=O ZINC000674468907 1074367494 /nfs/dbraw/zinc/36/74/94/1074367494.db2.gz SVXQQEQFNXFFBE-HZPDHXFCSA-N 1 2 422.432 1.752 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2(CO)CCCCC2)CC1 ZINC000674484577 1074389452 /nfs/dbraw/zinc/38/94/52/1074389452.db2.gz JEMNIYUGDKIQDB-UHFFFAOYSA-N 1 2 416.522 1.072 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674500779 1074394818 /nfs/dbraw/zinc/39/48/18/1074394818.db2.gz GBFMFQMVLIBKME-BXUZGUMPSA-N 1 2 409.284 1.744 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674500779 1074394826 /nfs/dbraw/zinc/39/48/26/1074394826.db2.gz GBFMFQMVLIBKME-BXUZGUMPSA-N 1 2 409.284 1.744 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)CC34CC5CC(CC(C5)C3)C4)CCN2C1=O ZINC000674501026 1074395082 /nfs/dbraw/zinc/39/50/82/1074395082.db2.gz GTBIFDQYOCJQDX-DQYWGJDHSA-N 1 2 402.539 1.630 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)CC34CC5CC(CC(C5)C3)C4)CCN2C1=O ZINC000674501026 1074395089 /nfs/dbraw/zinc/39/50/89/1074395089.db2.gz GTBIFDQYOCJQDX-DQYWGJDHSA-N 1 2 402.539 1.630 20 0 HDADLO CN(CCN1CCCS1(=O)=O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000674635817 1074490947 /nfs/dbraw/zinc/49/09/47/1074490947.db2.gz MFTZKUPZJCZFKU-QGZVFWFLSA-N 1 2 405.524 1.381 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1C ZINC000674639120 1074498884 /nfs/dbraw/zinc/49/88/84/1074498884.db2.gz ORDZLYGQJAJHGZ-VLIAUNLRSA-N 1 2 403.483 1.569 20 0 HDADLO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2cccc3c2OCO3)C1 ZINC000509234093 1074509531 /nfs/dbraw/zinc/50/95/31/1074509531.db2.gz MGKKBRAOCIHPMG-OAHLLOKOSA-N 1 2 417.487 1.913 20 0 HDADLO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2cccc3c2OCO3)C1 ZINC000509234093 1074509538 /nfs/dbraw/zinc/50/95/38/1074509538.db2.gz MGKKBRAOCIHPMG-OAHLLOKOSA-N 1 2 417.487 1.913 20 0 HDADLO COC(=O)c1c(C)n(C)c2ccc(OS(=O)(=O)CCC[NH+]3CCOCC3)cc21 ZINC000766064798 1074514342 /nfs/dbraw/zinc/51/43/42/1074514342.db2.gz WZEITOGQPTWTJD-UHFFFAOYSA-N 1 2 410.492 1.704 20 0 HDADLO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000674785676 1074564835 /nfs/dbraw/zinc/56/48/35/1074564835.db2.gz HJJLWYWTSRNJOC-FUHWJXTLSA-N 1 2 412.527 1.949 20 0 HDADLO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000674785676 1074564836 /nfs/dbraw/zinc/56/48/36/1074564836.db2.gz HJJLWYWTSRNJOC-FUHWJXTLSA-N 1 2 412.527 1.949 20 0 HDADLO CC(C)(C)OC(=O)N1CCC(C)(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000766075629 1074581687 /nfs/dbraw/zinc/58/16/87/1074581687.db2.gz CWKHQSMVXKBSED-UHFFFAOYSA-N 1 2 419.588 1.665 20 0 HDADLO O=C(CN1CCO[C@H]([C@@H]2CCCO2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000674910755 1074615208 /nfs/dbraw/zinc/61/52/08/1074615208.db2.gz WBPNZVJISIVNGF-VXKWHMMOSA-N 1 2 415.534 1.146 20 0 HDADLO Cc1cc(NC(=O)C[NH+]2CCC(OCCCO)CC2)n(-c2nc(C)cc(C)n2)n1 ZINC000674913310 1074619394 /nfs/dbraw/zinc/61/93/94/1074619394.db2.gz JGJKGLCZSPIBKB-UHFFFAOYSA-N 1 2 402.499 1.389 20 0 HDADLO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)n1 ZINC001034325077 1074699650 /nfs/dbraw/zinc/69/96/50/1074699650.db2.gz RMMUSZQYOVVRHS-YYXZMQKJSA-N 1 2 401.511 1.061 20 0 HDADLO Cc1cc(NC(=O)C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)n1 ZINC001034325077 1074699656 /nfs/dbraw/zinc/69/96/56/1074699656.db2.gz RMMUSZQYOVVRHS-YYXZMQKJSA-N 1 2 401.511 1.061 20 0 HDADLO O=C(NCC1CCN(c2ccccc2)CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467904289 1074718267 /nfs/dbraw/zinc/71/82/67/1074718267.db2.gz PSFQYZCNJFOPAM-UHFFFAOYSA-N 1 2 412.538 2.253 20 0 HDADLO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675123938 1074724786 /nfs/dbraw/zinc/72/47/86/1074724786.db2.gz UWAHSFYGVJZSEE-CYBMUJFWSA-N 1 2 414.275 1.850 20 0 HDADLO O=C(Nc1cc(F)ccc1Br)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675123939 1074725007 /nfs/dbraw/zinc/72/50/07/1074725007.db2.gz UWAHSFYGVJZSEE-ZDUSSCGKSA-N 1 2 414.275 1.850 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@H](C4CCOCC4)C3)ccn2)CC1 ZINC000543614366 1074725637 /nfs/dbraw/zinc/72/56/37/1074725637.db2.gz MUMQYAGZELGAGJ-KRWDZBQOSA-N 1 2 401.511 1.750 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ncn(Cc2ccccc2)n1 ZINC000588254534 1074741051 /nfs/dbraw/zinc/74/10/51/1074741051.db2.gz VIWRXTHUOACJRB-UHFFFAOYSA-N 1 2 423.496 2.409 20 0 HDADLO O=C(c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675217951 1074759293 /nfs/dbraw/zinc/75/92/93/1074759293.db2.gz BAGTVHLJFLRLKC-DLBZAZTESA-N 1 2 413.474 1.008 20 0 HDADLO CCOc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCC ZINC000675219938 1074761956 /nfs/dbraw/zinc/76/19/56/1074761956.db2.gz UATQZJWNTIXUKB-QGZVFWFLSA-N 1 2 405.495 1.147 20 0 HDADLO CC(C)C[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000675219552 1074762347 /nfs/dbraw/zinc/76/23/47/1074762347.db2.gz YDDUTFVQZQTMFV-AKHDSKFASA-N 1 2 403.523 1.285 20 0 HDADLO CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)C2=O ZINC000675219369 1074762766 /nfs/dbraw/zinc/76/27/66/1074762766.db2.gz SIEVHLHDZIFALK-PSCUFVCCSA-N 1 2 420.554 1.446 20 0 HDADLO O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000675219320 1074762901 /nfs/dbraw/zinc/76/29/01/1074762901.db2.gz ORRAQESTMLLDRO-KRWDZBQOSA-N 1 2 407.461 1.750 20 0 HDADLO CCOC1CCN(c2nc(NCCOC)nc(N3CCC(OCC)CC3)[nH+]2)CC1 ZINC000675214002 1074765369 /nfs/dbraw/zinc/76/53/69/1074765369.db2.gz MLBNJPVZIOAADM-UHFFFAOYSA-N 1 2 408.547 1.362 20 0 HDADLO O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000605429552 1074771474 /nfs/dbraw/zinc/77/14/74/1074771474.db2.gz VNNGHSIGNNJTAU-UHFFFAOYSA-N 1 2 419.457 1.585 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000675287236 1074780723 /nfs/dbraw/zinc/78/07/23/1074780723.db2.gz ZMOBKVAKPFZCPG-KRWDZBQOSA-N 1 2 405.476 1.824 20 0 HDADLO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000675287236 1074780731 /nfs/dbraw/zinc/78/07/31/1074780731.db2.gz ZMOBKVAKPFZCPG-KRWDZBQOSA-N 1 2 405.476 1.824 20 0 HDADLO CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280368 1074785671 /nfs/dbraw/zinc/78/56/71/1074785671.db2.gz CXTPAHINBLJCTP-RXVVDRJESA-N 1 2 412.534 1.784 20 0 HDADLO O=C(NCc1ccc(OCC2CC2)nc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000522828900 1074807958 /nfs/dbraw/zinc/80/79/58/1074807958.db2.gz BDZDOYOIFLBFPD-UHFFFAOYSA-N 1 2 400.483 1.721 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(NCC2CC2)nc1 ZINC000469622297 1074814124 /nfs/dbraw/zinc/81/41/24/1074814124.db2.gz SRLYGGWBTNHIEZ-UHFFFAOYSA-N 1 2 410.518 2.545 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000543055727 1075143922 /nfs/dbraw/zinc/14/39/22/1075143922.db2.gz DAGXKOSOXFJTHH-UHFFFAOYSA-N 1 2 402.499 1.774 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000435253774 1075144263 /nfs/dbraw/zinc/14/42/63/1075144263.db2.gz KMSRVPVNVGDFNW-UHFFFAOYSA-N 1 2 414.510 1.797 20 0 HDADLO COC[C@@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000675466343 1075161134 /nfs/dbraw/zinc/16/11/34/1075161134.db2.gz OCHCZKDBCNRYFE-RVKKMQEKSA-N 1 2 411.930 1.711 20 0 HDADLO COC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000675466343 1075161136 /nfs/dbraw/zinc/16/11/36/1075161136.db2.gz OCHCZKDBCNRYFE-RVKKMQEKSA-N 1 2 411.930 1.711 20 0 HDADLO Cc1cc(C)c(S(=O)(=O)NCCNc2cccc[nH+]2)c(C)c1NS(C)(=O)=O ZINC000675466452 1075162128 /nfs/dbraw/zinc/16/21/28/1075162128.db2.gz GIARCKKODPJBKF-UHFFFAOYSA-N 1 2 412.537 1.769 20 0 HDADLO O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429350380 1075164566 /nfs/dbraw/zinc/16/45/66/1075164566.db2.gz DBISDDPIGLTBGQ-IBGZPJMESA-N 1 2 423.517 1.985 20 0 HDADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1 ZINC000675470482 1075165051 /nfs/dbraw/zinc/16/50/51/1075165051.db2.gz KDANVDSISKWENR-UHFFFAOYSA-N 1 2 406.508 1.267 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)[C@H](C)CO1 ZINC000509249487 1075176764 /nfs/dbraw/zinc/17/67/64/1075176764.db2.gz RBHPFRBXVLCXMX-WCVJEAGWSA-N 1 2 405.561 1.946 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)[C@H](C)CO1 ZINC000509249487 1075176766 /nfs/dbraw/zinc/17/67/66/1075176766.db2.gz RBHPFRBXVLCXMX-WCVJEAGWSA-N 1 2 405.561 1.946 20 0 HDADLO O=C(Nc1ccn(CC(F)F)n1)C(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000439151021 1075180874 /nfs/dbraw/zinc/18/08/74/1075180874.db2.gz DGVGPZSZHDKHPJ-YJBOKZPZSA-N 1 2 414.416 2.328 20 0 HDADLO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000509345620 1075182800 /nfs/dbraw/zinc/18/28/00/1075182800.db2.gz RBCWGKAOVHPHLZ-UHFFFAOYSA-N 1 2 408.549 1.704 20 0 HDADLO COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC000519862742 1075184729 /nfs/dbraw/zinc/18/47/29/1075184729.db2.gz HCWHOFPPLLVOGS-QUCCMNQESA-N 1 2 414.506 1.883 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(c2nnc3ccccn32)CC1 ZINC000438311204 1075186487 /nfs/dbraw/zinc/18/64/87/1075186487.db2.gz HUYQNOVXTRXMHY-UHFFFAOYSA-N 1 2 424.509 1.670 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000485966865 1075189766 /nfs/dbraw/zinc/18/97/66/1075189766.db2.gz ZLYXGWOGAIHPKS-MSOLQXFVSA-N 1 2 403.527 1.583 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000596034280 1075190657 /nfs/dbraw/zinc/19/06/57/1075190657.db2.gz LFYABTKWMDMJAE-UHFFFAOYSA-N 1 2 417.897 2.248 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1CSc1nc[nH]n1 ZINC000606369022 1075191754 /nfs/dbraw/zinc/19/17/54/1075191754.db2.gz RPRKKZWBLUVYRQ-UHFFFAOYSA-N 1 2 413.507 1.878 20 0 HDADLO Cc1nc2sccn2c(=O)c1CCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000509347603 1075195416 /nfs/dbraw/zinc/19/54/16/1075195416.db2.gz ATRLKTPMHCIRLN-MRXNPFEDSA-N 1 2 403.552 1.235 20 0 HDADLO CCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448496820 1075218238 /nfs/dbraw/zinc/21/82/38/1075218238.db2.gz RFSHZZFOELLOSO-UHFFFAOYSA-N 1 2 419.913 1.856 20 0 HDADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000426958149 1075226784 /nfs/dbraw/zinc/22/67/84/1075226784.db2.gz WVKZNEAPHXSTTO-MJGOQNOKSA-N 1 2 424.505 2.400 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccccc1 ZINC000675594931 1075232978 /nfs/dbraw/zinc/23/29/78/1075232978.db2.gz BPSMJWIADYHOPS-RBUKOAKNSA-N 1 2 422.489 1.834 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1 ZINC000675594932 1075233028 /nfs/dbraw/zinc/23/30/28/1075233028.db2.gz BPSMJWIADYHOPS-RTBURBONSA-N 1 2 422.489 1.834 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC(C)(C)CCS(C)(=O)=O)CC1 ZINC000675623255 1075242308 /nfs/dbraw/zinc/24/23/08/1075242308.db2.gz PGDBTIDPCQUSEF-UHFFFAOYSA-N 1 2 410.540 1.409 20 0 HDADLO CC(C)[C@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000675643826 1075246457 /nfs/dbraw/zinc/24/64/57/1075246457.db2.gz NCDGTVKJYFQGLC-UGKGYDQZSA-N 1 2 419.591 1.573 20 0 HDADLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000675643826 1075246460 /nfs/dbraw/zinc/24/64/60/1075246460.db2.gz NCDGTVKJYFQGLC-UGKGYDQZSA-N 1 2 419.591 1.573 20 0 HDADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509361311 1075251321 /nfs/dbraw/zinc/25/13/21/1075251321.db2.gz UQERXWWSGTXKGE-HZSPNIEDSA-N 1 2 401.554 1.418 20 0 HDADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509361311 1075251327 /nfs/dbraw/zinc/25/13/27/1075251327.db2.gz UQERXWWSGTXKGE-HZSPNIEDSA-N 1 2 401.554 1.418 20 0 HDADLO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000546800784 1075261000 /nfs/dbraw/zinc/26/10/00/1075261000.db2.gz BBVAQULKMLQCTG-MAUKXSAKSA-N 1 2 421.925 1.598 20 0 HDADLO C[C@@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000675812440 1075275550 /nfs/dbraw/zinc/27/55/50/1075275550.db2.gz WLYDVFXGDVKBQX-YJBOKZPZSA-N 1 2 405.520 1.802 20 0 HDADLO CCCn1nnnc1C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001035207735 1075288150 /nfs/dbraw/zinc/28/81/50/1075288150.db2.gz FIIOROBSQXSDLS-BCDMZGRMSA-N 1 2 400.527 1.321 20 0 HDADLO CCCn1nnnc1C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001035207735 1075288154 /nfs/dbraw/zinc/28/81/54/1075288154.db2.gz FIIOROBSQXSDLS-BCDMZGRMSA-N 1 2 400.527 1.321 20 0 HDADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000675941959 1075302800 /nfs/dbraw/zinc/30/28/00/1075302800.db2.gz ZTTYPVKXBQODJZ-RBUKOAKNSA-N 1 2 423.579 1.636 20 0 HDADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000675941959 1075302801 /nfs/dbraw/zinc/30/28/01/1075302801.db2.gz ZTTYPVKXBQODJZ-RBUKOAKNSA-N 1 2 423.579 1.636 20 0 HDADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCCOC[C@H]3CCOC3)CC2)c1 ZINC000675984033 1075313964 /nfs/dbraw/zinc/31/39/64/1075313964.db2.gz YJHJCZSNCJIYSR-SFHVURJKSA-N 1 2 407.511 1.454 20 0 HDADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000429386744 1075318824 /nfs/dbraw/zinc/31/88/24/1075318824.db2.gz NJTRUGFZIYLWTE-MOPGFXCFSA-N 1 2 419.957 1.867 20 0 HDADLO COCC(=O)NC1CC[NH+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CC1 ZINC000676037520 1075336654 /nfs/dbraw/zinc/33/66/54/1075336654.db2.gz BRHXFWCNEVSJQC-UHFFFAOYSA-N 1 2 420.466 1.489 20 0 HDADLO O=C(CCNC(=O)C(=O)N1CCCCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000804081396 1075348280 /nfs/dbraw/zinc/34/82/80/1075348280.db2.gz LPWDLQMGZOFXKN-UHFFFAOYSA-N 1 2 401.511 1.029 20 0 HDADLO O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096102 1075358374 /nfs/dbraw/zinc/35/83/74/1075358374.db2.gz STTFLCVVAPNDBD-UHFFFAOYSA-N 1 2 406.381 1.446 20 0 HDADLO O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096102 1075358378 /nfs/dbraw/zinc/35/83/78/1075358378.db2.gz STTFLCVVAPNDBD-UHFFFAOYSA-N 1 2 406.381 1.446 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000466712953 1075361080 /nfs/dbraw/zinc/36/10/80/1075361080.db2.gz JVYUIALCZUKLGX-SNVBAGLBSA-N 1 2 408.243 1.884 20 0 HDADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804086565 1075373272 /nfs/dbraw/zinc/37/32/72/1075373272.db2.gz AAOYZKGNFDULMY-HZPDHXFCSA-N 1 2 407.515 1.684 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3)C2)o1 ZINC000676114733 1075387381 /nfs/dbraw/zinc/38/73/81/1075387381.db2.gz UIZRRSFVUICANX-HOTGVXAUSA-N 1 2 406.508 1.383 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3)C2)o1 ZINC000676114733 1075387385 /nfs/dbraw/zinc/38/73/85/1075387385.db2.gz UIZRRSFVUICANX-HOTGVXAUSA-N 1 2 406.508 1.383 20 0 HDADLO COc1ccc(OCC[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001035451128 1075387463 /nfs/dbraw/zinc/38/74/63/1075387463.db2.gz BXLMQXQKWBBQDN-YQPXSLGVSA-N 1 2 402.491 1.314 20 0 HDADLO COc1ccc(OCC[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001035451128 1075387471 /nfs/dbraw/zinc/38/74/71/1075387471.db2.gz BXLMQXQKWBBQDN-YQPXSLGVSA-N 1 2 402.491 1.314 20 0 HDADLO O=C(NCCCN1CCCS1(=O)=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000676148771 1075398956 /nfs/dbraw/zinc/39/89/56/1075398956.db2.gz HLUCFEZDTVUMGE-RBUKOAKNSA-N 1 2 417.535 1.837 20 0 HDADLO Cc1nc(-c2ncccn2)sc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648401 1075426800 /nfs/dbraw/zinc/42/68/00/1075426800.db2.gz NQUJJOLYUYGZMO-UHFFFAOYSA-N 1 2 409.537 1.147 20 0 HDADLO CSc1nc(C)c(CCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)n1 ZINC000731650389 1075431373 /nfs/dbraw/zinc/43/13/73/1075431373.db2.gz AACLTUIYXQQOCF-UHFFFAOYSA-N 1 2 414.597 1.373 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000731650201 1075431753 /nfs/dbraw/zinc/43/17/53/1075431753.db2.gz JGKUKHBQNYVYLT-UHFFFAOYSA-N 1 2 408.442 1.709 20 0 HDADLO C/C=C\c1ccc(OCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)c1 ZINC000731650280 1075432243 /nfs/dbraw/zinc/43/22/43/1075432243.db2.gz NXUZNEUZZRCKAE-PLNGDYQASA-N 1 2 410.536 1.732 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(F)ccc2Br)CC1 ZINC000731651098 1075434525 /nfs/dbraw/zinc/43/45/25/1075434525.db2.gz XQYVQWYFQPOTJI-UHFFFAOYSA-N 1 2 407.305 1.827 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000731686388 1075446085 /nfs/dbraw/zinc/44/60/85/1075446085.db2.gz UBZWLEGCSIRFLT-IBGZPJMESA-N 1 2 409.552 1.669 20 0 HDADLO CC[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1nc2ccccc2[nH]1 ZINC000731686494 1075446677 /nfs/dbraw/zinc/44/66/77/1075446677.db2.gz ATGXEWHWYPUXFT-HNNXBMFYSA-N 1 2 407.540 1.822 20 0 HDADLO COc1ccc(CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)c1 ZINC000731686200 1075447537 /nfs/dbraw/zinc/44/75/37/1075447537.db2.gz NVUIOCPUJNTOQC-UHFFFAOYSA-N 1 2 413.540 1.354 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000731685970 1075448052 /nfs/dbraw/zinc/44/80/52/1075448052.db2.gz FVWSGFZWHPBTJX-QGZVFWFLSA-N 1 2 413.515 1.848 20 0 HDADLO CCCNC(=O)c1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731681216 1075463718 /nfs/dbraw/zinc/46/37/18/1075463718.db2.gz NJKJZVHOSDANKA-UHFFFAOYSA-N 1 2 424.567 1.135 20 0 HDADLO CC(=O)Nc1cccc([C@@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731680791 1075464554 /nfs/dbraw/zinc/46/45/54/1075464554.db2.gz XHEZBNUBLROAKY-CQSZACIVSA-N 1 2 410.540 1.514 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc3c(c2)OCCCO3)CC1 ZINC000731683448 1075465467 /nfs/dbraw/zinc/46/54/67/1075465467.db2.gz UKWKKORUPZTTLX-UHFFFAOYSA-N 1 2 411.524 1.156 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2-n2ccnc2)CC1 ZINC000731684319 1075467411 /nfs/dbraw/zinc/46/74/11/1075467411.db2.gz WELWEYZYFSNCPF-UHFFFAOYSA-N 1 2 405.524 1.181 20 0 HDADLO CC(C)c1nc(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cs1 ZINC000731683712 1075468724 /nfs/dbraw/zinc/46/87/24/1075468724.db2.gz XZMUNSSITDIZEV-UHFFFAOYSA-N 1 2 402.586 1.617 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000676273085 1075474313 /nfs/dbraw/zinc/47/43/13/1075474313.db2.gz WASWMIYOQYGUAD-SMDDNHRTSA-N 1 2 416.400 1.343 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000676271330 1075474341 /nfs/dbraw/zinc/47/43/41/1075474341.db2.gz PPANXRIKHSNIKZ-DYVFJYSZSA-N 1 2 413.482 1.276 20 0 HDADLO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429418250 1075488676 /nfs/dbraw/zinc/48/86/76/1075488676.db2.gz PMEOVJCITRYUKE-LBPRGKRZSA-N 1 2 417.413 1.860 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cc3c(cc2Cl)OCO3)CC1 ZINC000731751988 1075509094 /nfs/dbraw/zinc/50/90/94/1075509094.db2.gz NXIGUQSHWXTJQP-UHFFFAOYSA-N 1 2 403.888 1.699 20 0 HDADLO CC(C)NC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731754446 1075510422 /nfs/dbraw/zinc/51/04/22/1075510422.db2.gz ZZUANBHGBRLQPW-UHFFFAOYSA-N 1 2 410.540 1.455 20 0 HDADLO Cc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1C(=O)NC(C)C ZINC000731755575 1075511143 /nfs/dbraw/zinc/51/11/43/1075511143.db2.gz BHYJLNHZMYUPCY-UHFFFAOYSA-N 1 2 424.567 1.764 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)c1 ZINC000731753789 1075511231 /nfs/dbraw/zinc/51/12/31/1075511231.db2.gz DHDLGHLYORASJV-UHFFFAOYSA-N 1 2 410.540 1.375 20 0 HDADLO CN(CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000731756243 1075512304 /nfs/dbraw/zinc/51/23/04/1075512304.db2.gz GVDHCXYCIHWTSD-UHFFFAOYSA-N 1 2 420.576 1.052 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000731758088 1075513479 /nfs/dbraw/zinc/51/34/79/1075513479.db2.gz GPBBZJAHADVODK-RBUKOAKNSA-N 1 2 409.552 1.715 20 0 HDADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000676339817 1075513522 /nfs/dbraw/zinc/51/35/22/1075513522.db2.gz GRWQPDBZCWWDOS-OAQYLSRUSA-N 1 2 414.550 1.884 20 0 HDADLO COc1ccccc1CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CC1 ZINC000731761567 1075515012 /nfs/dbraw/zinc/51/50/12/1075515012.db2.gz RMNBUKKEZPMCFB-UHFFFAOYSA-N 1 2 409.552 1.878 20 0 HDADLO COc1c[nH+]c(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc1N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000557630620 1075518635 /nfs/dbraw/zinc/51/86/35/1075518635.db2.gz OGLCNAWVOOHVOZ-UONOGXRCSA-N 1 2 418.542 2.108 20 0 HDADLO CC(C)(C)c1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731765480 1075518869 /nfs/dbraw/zinc/51/88/69/1075518869.db2.gz TUEBWCHSVOPHSV-UHFFFAOYSA-N 1 2 409.552 1.548 20 0 HDADLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676348136 1075520331 /nfs/dbraw/zinc/52/03/31/1075520331.db2.gz OPKJODMDIQTECI-GXTWGEPZSA-N 1 2 405.524 1.278 20 0 HDADLO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676348136 1075520334 /nfs/dbraw/zinc/52/03/34/1075520334.db2.gz OPKJODMDIQTECI-GXTWGEPZSA-N 1 2 405.524 1.278 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000731826800 1075525004 /nfs/dbraw/zinc/52/50/04/1075525004.db2.gz KQGFOCYQLXDQBJ-AWEZNQCLSA-N 1 2 417.959 1.509 20 0 HDADLO C[C@H](O)C[NH+]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000731826412 1075525037 /nfs/dbraw/zinc/52/50/37/1075525037.db2.gz ALRFWVPVLUONED-INIZCTEOSA-N 1 2 418.563 1.771 20 0 HDADLO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676387643 1075534724 /nfs/dbraw/zinc/53/47/24/1075534724.db2.gz GFPUYZUCRHHQSO-RTBURBONSA-N 1 2 406.502 1.583 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)c2)cc[nH+]1 ZINC000541720827 1075538516 /nfs/dbraw/zinc/53/85/16/1075538516.db2.gz PWJIRNXOZMXSDB-UHFFFAOYSA-N 1 2 417.535 1.799 20 0 HDADLO C[C@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)NS(=O)(=O)c1cccnc1Cl ZINC000731891195 1075557635 /nfs/dbraw/zinc/55/76/35/1075557635.db2.gz KEHRZVKRQUKWPX-CYBMUJFWSA-N 1 2 418.947 1.019 20 0 HDADLO COc1ccccc1C1(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000676462061 1075560611 /nfs/dbraw/zinc/56/06/11/1075560611.db2.gz ZSMVBWGGKKYKNQ-SFHVURJKSA-N 1 2 415.534 1.556 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000676472548 1075563830 /nfs/dbraw/zinc/56/38/30/1075563830.db2.gz ZLEUMDXQLYIRQT-FQEVSTJZSA-N 1 2 423.579 1.708 20 0 HDADLO COc1cc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cc2c1OCO2 ZINC000676495220 1075565323 /nfs/dbraw/zinc/56/53/23/1075565323.db2.gz KWODFLJAHKWSDI-UHFFFAOYSA-N 1 2 420.491 1.513 20 0 HDADLO O=C1NC[C@H](CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCOCC2)O1 ZINC000731939190 1075576203 /nfs/dbraw/zinc/57/62/03/1075576203.db2.gz JKQZTJLJVPBRDE-GFCCVEGCSA-N 1 2 410.521 1.381 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H]([NH+]2CCC(C(=O)N3CCCC3)CC2)C1=O ZINC000466733201 1075578758 /nfs/dbraw/zinc/57/87/58/1075578758.db2.gz QVYGJGITBCNEAD-INIZCTEOSA-N 1 2 405.520 1.974 20 0 HDADLO Cn1ccnc1[C@@](O)(CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C(F)(F)F ZINC000731967945 1075579370 /nfs/dbraw/zinc/57/93/70/1075579370.db2.gz BIYDWYDAWHPROM-DYVFJYSZSA-N 1 2 414.432 1.671 20 0 HDADLO Cn1ccnc1[C@@](O)(CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C(F)(F)F ZINC000731967945 1075579374 /nfs/dbraw/zinc/57/93/74/1075579374.db2.gz BIYDWYDAWHPROM-DYVFJYSZSA-N 1 2 414.432 1.671 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC(C2CCCC2)CC1 ZINC000676551133 1075584052 /nfs/dbraw/zinc/58/40/52/1075584052.db2.gz KBMFJTVQQXOUDC-UHFFFAOYSA-N 1 2 403.527 1.583 20 0 HDADLO COC(=O)Nc1ccc(OC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000732059234 1075597730 /nfs/dbraw/zinc/59/77/30/1075597730.db2.gz XEDGUKHHJMKKBW-KRWDZBQOSA-N 1 2 405.451 1.484 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000732063665 1075599289 /nfs/dbraw/zinc/59/92/89/1075599289.db2.gz YYHVCKDJFRTVHE-WAYWQWQTSA-N 1 2 424.501 1.482 20 0 HDADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC12CCCCC2 ZINC000462942510 1075605705 /nfs/dbraw/zinc/60/57/05/1075605705.db2.gz LFPCDOBCMIFKSD-GOSISDBHSA-N 1 2 417.554 1.973 20 0 HDADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)[NH+]1CCOCC1 ZINC000676615448 1075616747 /nfs/dbraw/zinc/61/67/47/1075616747.db2.gz QMSODHJGNACYQU-MRXNPFEDSA-N 1 2 409.437 1.843 20 0 HDADLO CNc1nc(N(C)Cc2ccc(OC)nc2)[nH+]c(N(C)Cc2ccc(OC)nc2)n1 ZINC000676638395 1075628839 /nfs/dbraw/zinc/62/88/39/1075628839.db2.gz LHFOKIPJEZFKRM-UHFFFAOYSA-N 1 2 410.482 1.415 20 0 HDADLO NS(=O)(=O)c1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1Br ZINC000676648824 1075633063 /nfs/dbraw/zinc/63/30/63/1075633063.db2.gz LMNHGXACVDIVNH-UHFFFAOYSA-N 1 2 424.320 1.842 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1F ZINC000548964247 1075637013 /nfs/dbraw/zinc/63/70/13/1075637013.db2.gz MILFILUEQWUWFD-NSHDSACASA-N 1 2 403.414 1.806 20 0 HDADLO CC(=O)N1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)Oc2ccccc21 ZINC000732164778 1075643313 /nfs/dbraw/zinc/64/33/13/1075643313.db2.gz CHLIYOGICJKORJ-REWPJTCUSA-N 1 2 423.513 1.860 20 0 HDADLO CN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCc2c1cnn2C ZINC000676675416 1075643602 /nfs/dbraw/zinc/64/36/02/1075643602.db2.gz GITAMLIDIFICKK-SFHVURJKSA-N 1 2 410.522 1.780 20 0 HDADLO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676662149 1075643689 /nfs/dbraw/zinc/64/36/89/1075643689.db2.gz DLBVOOFPBJNLAB-ZFWWWQNUSA-N 1 2 401.467 1.377 20 0 HDADLO CCOC(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732165203 1075644121 /nfs/dbraw/zinc/64/41/21/1075644121.db2.gz JOFAAGQYKKOOSD-HXUWFJFHSA-N 1 2 403.523 1.915 20 0 HDADLO O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732166257 1075644931 /nfs/dbraw/zinc/64/49/31/1075644931.db2.gz WKBLGBLYNZAPJF-KRWDZBQOSA-N 1 2 423.435 1.927 20 0 HDADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000732187319 1075654038 /nfs/dbraw/zinc/65/40/38/1075654038.db2.gz RJYQUVDZLBXDRE-VGOFRKELSA-N 1 2 414.506 1.897 20 0 HDADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)C1=O ZINC000732187319 1075654042 /nfs/dbraw/zinc/65/40/42/1075654042.db2.gz RJYQUVDZLBXDRE-VGOFRKELSA-N 1 2 414.506 1.897 20 0 HDADLO O=C([C@@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1)N1CCCC1 ZINC000732189224 1075654993 /nfs/dbraw/zinc/65/49/93/1075654993.db2.gz BVIHKJOFLZGGNQ-MRXNPFEDSA-N 1 2 420.583 1.877 20 0 HDADLO O=C([C@@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1)N1CCCC1 ZINC000732189224 1075654995 /nfs/dbraw/zinc/65/49/95/1075654995.db2.gz BVIHKJOFLZGGNQ-MRXNPFEDSA-N 1 2 420.583 1.877 20 0 HDADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)NS(C)(=O)=O)c(C)c1 ZINC000676724213 1075660302 /nfs/dbraw/zinc/66/03/02/1075660302.db2.gz RLVSANFMEFCLAP-QGZVFWFLSA-N 1 2 407.540 1.868 20 0 HDADLO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000676721588 1075667231 /nfs/dbraw/zinc/66/72/31/1075667231.db2.gz CYCTWLMNUSPRPZ-UHFFFAOYSA-N 1 2 413.503 1.965 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1C ZINC000732211588 1075667985 /nfs/dbraw/zinc/66/79/85/1075667985.db2.gz WSKDHBFOCNRJTJ-MRXNPFEDSA-N 1 2 422.551 1.366 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1C ZINC000732211588 1075667988 /nfs/dbraw/zinc/66/79/88/1075667988.db2.gz WSKDHBFOCNRJTJ-MRXNPFEDSA-N 1 2 422.551 1.366 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H](c4ccco4)C3)C2=O)cc1 ZINC000732205578 1075676473 /nfs/dbraw/zinc/67/64/73/1075676473.db2.gz JWDYGBORCHURAG-SPLOXXLWSA-N 1 2 412.446 1.576 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H](c4ccco4)C3)C2=O)cc1 ZINC000732205578 1075676478 /nfs/dbraw/zinc/67/64/78/1075676478.db2.gz JWDYGBORCHURAG-SPLOXXLWSA-N 1 2 412.446 1.576 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)CC1 ZINC000141539628 1075685672 /nfs/dbraw/zinc/68/56/72/1075685672.db2.gz CWIWMYZRGRKDGW-UHFFFAOYSA-N 1 2 413.522 1.490 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)CC1 ZINC000141539628 1075685675 /nfs/dbraw/zinc/68/56/75/1075685675.db2.gz CWIWMYZRGRKDGW-UHFFFAOYSA-N 1 2 413.522 1.490 20 0 HDADLO C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000429463363 1075689226 /nfs/dbraw/zinc/68/92/26/1075689226.db2.gz BIQJJEQNEQUCKE-QHCPKHFHSA-N 1 2 408.502 1.806 20 0 HDADLO Brc1ccn2cc(CNc3ccn(CC[NH+]4CCOCC4)n3)nc2c1 ZINC000569892373 1075689866 /nfs/dbraw/zinc/68/98/66/1075689866.db2.gz MTVGMLZQTQIQDE-UHFFFAOYSA-N 1 2 405.300 2.238 20 0 HDADLO CCCCNc1cc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)nc(N)[nH+]1 ZINC000580908845 1075693791 /nfs/dbraw/zinc/69/37/91/1075693791.db2.gz HYXUWHHRNZTHNC-UHFFFAOYSA-N 1 2 402.474 2.138 20 0 HDADLO CCCCNc1cc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)[nH+]c(N)n1 ZINC000580908845 1075693795 /nfs/dbraw/zinc/69/37/95/1075693795.db2.gz HYXUWHHRNZTHNC-UHFFFAOYSA-N 1 2 402.474 2.138 20 0 HDADLO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732293570 1075701572 /nfs/dbraw/zinc/70/15/72/1075701572.db2.gz NAFMZKJENVQSCY-OAHLLOKOSA-N 1 2 408.861 1.500 20 0 HDADLO O=C(CCn1cc[nH]c(=O)c1=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732293570 1075701577 /nfs/dbraw/zinc/70/15/77/1075701577.db2.gz NAFMZKJENVQSCY-OAHLLOKOSA-N 1 2 408.861 1.500 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000490229459 1075703617 /nfs/dbraw/zinc/70/36/17/1075703617.db2.gz HBCSEAIVKXJPJL-CRAIPNDOSA-N 1 2 406.437 1.816 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000490229459 1075703626 /nfs/dbraw/zinc/70/36/26/1075703626.db2.gz HBCSEAIVKXJPJL-CRAIPNDOSA-N 1 2 406.437 1.816 20 0 HDADLO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H]3CCCS(=O)(=O)C3)CC[N@@H+]2C2CC2)c1 ZINC000543686102 1075713724 /nfs/dbraw/zinc/71/37/24/1075713724.db2.gz VYIFNOWTYHMFSG-ATZDWAIDSA-N 1 2 407.536 1.849 20 0 HDADLO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H]3CCCS(=O)(=O)C3)CC[N@H+]2C2CC2)c1 ZINC000543686102 1075713729 /nfs/dbraw/zinc/71/37/29/1075713729.db2.gz VYIFNOWTYHMFSG-ATZDWAIDSA-N 1 2 407.536 1.849 20 0 HDADLO CCCNC(=O)CCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000732350657 1075719361 /nfs/dbraw/zinc/71/93/61/1075719361.db2.gz CJQMMUJFSOPGHU-UHFFFAOYSA-N 1 2 417.506 1.115 20 0 HDADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3ccn(C(C)C)n3)cc2)CC1 ZINC000555307458 1075720780 /nfs/dbraw/zinc/72/07/80/1075720780.db2.gz WLQJCNZUUZXBHT-UHFFFAOYSA-N 1 2 412.494 1.705 20 0 HDADLO CC(=O)N1CCN(C(=O)COC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000732397188 1075732433 /nfs/dbraw/zinc/73/24/33/1075732433.db2.gz OBFYWDSNKJSZEB-SFHVURJKSA-N 1 2 415.534 1.564 20 0 HDADLO Cc1cc(N2CCN(C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000429473134 1075733198 /nfs/dbraw/zinc/73/31/98/1075733198.db2.gz QCOXQWWKVSKJBO-DJIMGWMZSA-N 1 2 400.527 1.749 20 0 HDADLO Cn1nc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1OC(F)F ZINC000566389517 1075739499 /nfs/dbraw/zinc/73/94/99/1075739499.db2.gz AULBSKNSCVGQDE-CYBMUJFWSA-N 1 2 410.425 1.991 20 0 HDADLO Cn1nc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1OC(F)F ZINC000566389517 1075739503 /nfs/dbraw/zinc/73/95/03/1075739503.db2.gz AULBSKNSCVGQDE-CYBMUJFWSA-N 1 2 410.425 1.991 20 0 HDADLO COC(=O)N1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732453172 1075742259 /nfs/dbraw/zinc/74/22/59/1075742259.db2.gz BMINIMVLFCDIKT-IBGZPJMESA-N 1 2 404.511 1.460 20 0 HDADLO COC(=O)N1CCC[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732460003 1075750009 /nfs/dbraw/zinc/75/00/09/1075750009.db2.gz VTOGPVQAZQGWTP-RTBURBONSA-N 1 2 404.511 1.460 20 0 HDADLO CCCN1C(=O)C(=O)N(CN2CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC2)C1=O ZINC000732473939 1075756464 /nfs/dbraw/zinc/75/64/64/1075756464.db2.gz SEEHCXNOMVVVHD-UHFFFAOYSA-N 1 2 412.494 1.227 20 0 HDADLO COc1ccc([C@@H](O)CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000732476530 1075757382 /nfs/dbraw/zinc/75/73/82/1075757382.db2.gz MZZPNKHNRCROAX-UNMCSNQZSA-N 1 2 413.518 1.971 20 0 HDADLO Nc1nc(C2CC2)ncc1-c1noc(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000445602655 1075761305 /nfs/dbraw/zinc/76/13/05/1075761305.db2.gz XNKNEMQIOYLZNP-UHFFFAOYSA-N 1 2 420.477 1.663 20 0 HDADLO Ic1ccc2ncnc(NCC3([NH+]4CCOCC4)CC3)c2c1 ZINC000433794121 1075767588 /nfs/dbraw/zinc/76/75/88/1075767588.db2.gz RHESSUFVAZZDQV-UHFFFAOYSA-N 1 2 410.259 2.511 20 0 HDADLO CC(C)(C)c1csc(CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000438350610 1075773932 /nfs/dbraw/zinc/77/39/32/1075773932.db2.gz WRHRELPDPJTJKH-UHFFFAOYSA-N 1 2 406.556 2.334 20 0 HDADLO Cn1nc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1OC(F)F ZINC000466646619 1075780062 /nfs/dbraw/zinc/78/00/62/1075780062.db2.gz BULIDJKWYQAEFP-UHFFFAOYSA-N 1 2 409.437 1.781 20 0 HDADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N(C)CCOc1ccccc1F ZINC000462560410 1075782592 /nfs/dbraw/zinc/78/25/92/1075782592.db2.gz VALDLUBPLDRJMR-HNNXBMFYSA-N 1 2 400.454 2.506 20 0 HDADLO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc2cc(Cl)ccc2[nH]1 ZINC000732559247 1075785094 /nfs/dbraw/zinc/78/50/94/1075785094.db2.gz JLTHIAQWEZHELR-ZIAGYGMSSA-N 1 2 419.913 1.574 20 0 HDADLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448475644 1075789101 /nfs/dbraw/zinc/78/91/01/1075789101.db2.gz VGLNHMLEIIOJHH-CQSZACIVSA-N 1 2 421.448 1.652 20 0 HDADLO CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000016733183 1075794326 /nfs/dbraw/zinc/79/43/26/1075794326.db2.gz IVWSSIGNUTZRCL-UHFFFAOYSA-N 1 2 417.535 1.779 20 0 HDADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817285 1075794906 /nfs/dbraw/zinc/79/49/06/1075794906.db2.gz CLZKXNVJYDBCNN-NVXWUHKLSA-N 1 2 400.870 2.576 20 0 HDADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817285 1075794911 /nfs/dbraw/zinc/79/49/11/1075794911.db2.gz CLZKXNVJYDBCNN-NVXWUHKLSA-N 1 2 400.870 2.576 20 0 HDADLO CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2C1 ZINC000487339428 1075795092 /nfs/dbraw/zinc/79/50/92/1075795092.db2.gz NKSKZOXOAANEAO-KRWDZBQOSA-N 1 2 411.506 1.666 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000499181527 1075796293 /nfs/dbraw/zinc/79/62/93/1075796293.db2.gz PDPVWWFMTFXXOW-SJLPKXTDSA-N 1 2 403.433 1.998 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000499181527 1075796296 /nfs/dbraw/zinc/79/62/96/1075796296.db2.gz PDPVWWFMTFXXOW-SJLPKXTDSA-N 1 2 403.433 1.998 20 0 HDADLO CC(C)CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)(C)C ZINC000446773358 1075807493 /nfs/dbraw/zinc/80/74/93/1075807493.db2.gz CBBRMUPFJYJWGZ-QGZVFWFLSA-N 1 2 407.559 2.121 20 0 HDADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000488723240 1075811730 /nfs/dbraw/zinc/81/17/30/1075811730.db2.gz QIWYDXLSJJVNOC-LJQANCHMSA-N 1 2 419.503 1.906 20 0 HDADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000488723240 1075811735 /nfs/dbraw/zinc/81/17/35/1075811735.db2.gz QIWYDXLSJJVNOC-LJQANCHMSA-N 1 2 419.503 1.906 20 0 HDADLO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000611064055 1075823121 /nfs/dbraw/zinc/82/31/21/1075823121.db2.gz SDVKWEAVPYTWMI-RLLQIKCJSA-N 1 2 405.587 1.445 20 0 HDADLO COC(=O)c1cccc([C@H](C(=O)OC)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000611089372 1075828521 /nfs/dbraw/zinc/82/85/21/1075828521.db2.gz AIKGRMQKBWVSDL-VQIMIIECSA-N 1 2 417.506 1.316 20 0 HDADLO CC(C)Cc1ncnc(NC[C@H]2C[NH+]3CCN2CC3)c1I ZINC000553173420 1075837599 /nfs/dbraw/zinc/83/75/99/1075837599.db2.gz LDKMKWUYEASWQQ-LBPRGKRZSA-N 1 2 401.296 1.691 20 0 HDADLO O=C(c1cncc(I)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611131617 1075848397 /nfs/dbraw/zinc/84/83/97/1075848397.db2.gz WJJOFXZSDSWZED-CQSZACIVSA-N 1 2 401.248 1.623 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccn(CC(F)(F)F)n1 ZINC000448419282 1075861304 /nfs/dbraw/zinc/86/13/04/1075861304.db2.gz VIANTLSVXJAJLQ-UHFFFAOYSA-N 1 2 410.400 1.908 20 0 HDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@H+](C)C1(COC)CC1 ZINC000611178496 1075870507 /nfs/dbraw/zinc/87/05/07/1075870507.db2.gz DRWLLMGUQMQRLP-UHFFFAOYSA-N 1 2 411.524 1.984 20 0 HDADLO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[N@@H+](C)C1(COC)CC1 ZINC000611178496 1075870512 /nfs/dbraw/zinc/87/05/12/1075870512.db2.gz DRWLLMGUQMQRLP-UHFFFAOYSA-N 1 2 411.524 1.984 20 0 HDADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732810666 1075872327 /nfs/dbraw/zinc/87/23/27/1075872327.db2.gz NVLMDBJIQJBXFX-GOEBONIOSA-N 1 2 401.429 1.974 20 0 HDADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732810666 1075872329 /nfs/dbraw/zinc/87/23/29/1075872329.db2.gz NVLMDBJIQJBXFX-GOEBONIOSA-N 1 2 401.429 1.974 20 0 HDADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732813841 1075875866 /nfs/dbraw/zinc/87/58/66/1075875866.db2.gz PDMIPEVGWKPWOS-OCCSQVGLSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732813841 1075875868 /nfs/dbraw/zinc/87/58/68/1075875868.db2.gz PDMIPEVGWKPWOS-OCCSQVGLSA-N 1 2 407.433 1.272 20 0 HDADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000611216851 1075878256 /nfs/dbraw/zinc/87/82/56/1075878256.db2.gz IBIIYDRZELJJCQ-HNNXBMFYSA-N 1 2 401.419 1.434 20 0 HDADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000611216851 1075878262 /nfs/dbraw/zinc/87/82/62/1075878262.db2.gz IBIIYDRZELJJCQ-HNNXBMFYSA-N 1 2 401.419 1.434 20 0 HDADLO COC(=O)c1ccc(N2CC[N@H+](CC(=O)N3CCOC[C@H]3C3CC3)[C@H](C)C2)cc1 ZINC000611224851 1075880333 /nfs/dbraw/zinc/88/03/33/1075880333.db2.gz JFEOQRJEXBASMS-UZLBHIALSA-N 1 2 401.507 1.621 20 0 HDADLO COC(=O)c1ccc(N2CC[N@@H+](CC(=O)N3CCOC[C@H]3C3CC3)[C@H](C)C2)cc1 ZINC000611224851 1075880336 /nfs/dbraw/zinc/88/03/36/1075880336.db2.gz JFEOQRJEXBASMS-UZLBHIALSA-N 1 2 401.507 1.621 20 0 HDADLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc(NS(C)(=O)=O)c3)CC2)nc1 ZINC000611254113 1075884270 /nfs/dbraw/zinc/88/42/70/1075884270.db2.gz YTUVSSUHEJVIQI-UHFFFAOYSA-N 1 2 418.519 1.952 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3C)cc2)CC1 ZINC000732896401 1075897495 /nfs/dbraw/zinc/89/74/95/1075897495.db2.gz FXXVMBAHMYQFAN-QFIPXVFZSA-N 1 2 424.545 1.921 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)C1 ZINC000611322957 1075900858 /nfs/dbraw/zinc/90/08/58/1075900858.db2.gz IKIIAAYZTHWISV-AWEZNQCLSA-N 1 2 418.473 1.960 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)C1 ZINC000611322957 1075900862 /nfs/dbraw/zinc/90/08/62/1075900862.db2.gz IKIIAAYZTHWISV-AWEZNQCLSA-N 1 2 418.473 1.960 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)Nn1cnc2ccccc21 ZINC000732914399 1075910835 /nfs/dbraw/zinc/91/08/35/1075910835.db2.gz MIBBOLRJEYDNCR-MRXNPFEDSA-N 1 2 422.493 1.585 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)Nn1cnc2ccccc21 ZINC000732914399 1075910838 /nfs/dbraw/zinc/91/08/38/1075910838.db2.gz MIBBOLRJEYDNCR-MRXNPFEDSA-N 1 2 422.493 1.585 20 0 HDADLO C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915203 1075912302 /nfs/dbraw/zinc/91/23/02/1075912302.db2.gz YLZYESVJVANFFW-IRXDYDNUSA-N 1 2 414.510 1.805 20 0 HDADLO C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915203 1075912306 /nfs/dbraw/zinc/91/23/06/1075912306.db2.gz YLZYESVJVANFFW-IRXDYDNUSA-N 1 2 414.510 1.805 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CSCCS1 ZINC000732916469 1075912931 /nfs/dbraw/zinc/91/29/31/1075912931.db2.gz RVZDBRXCCZOACJ-HUUCEWRRSA-N 1 2 409.581 1.247 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CSCCS1 ZINC000732916469 1075912933 /nfs/dbraw/zinc/91/29/33/1075912933.db2.gz RVZDBRXCCZOACJ-HUUCEWRRSA-N 1 2 409.581 1.247 20 0 HDADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000732954971 1075931128 /nfs/dbraw/zinc/93/11/28/1075931128.db2.gz IFHCQWUVSQQTEX-SILNSSARSA-N 1 2 424.501 1.721 20 0 HDADLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000732954971 1075931129 /nfs/dbraw/zinc/93/11/29/1075931129.db2.gz IFHCQWUVSQQTEX-SILNSSARSA-N 1 2 424.501 1.721 20 0 HDADLO COC(=O)c1cc(C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)on1 ZINC000611489883 1075946022 /nfs/dbraw/zinc/94/60/22/1075946022.db2.gz KALZQFHCVFUBOE-UHFFFAOYSA-N 1 2 402.407 1.110 20 0 HDADLO COC(=O)c1sc(NC(=O)CN2CCN(C)c3[nH+]cccc32)c(C(=O)OC)c1C ZINC000611483524 1075946634 /nfs/dbraw/zinc/94/66/34/1075946634.db2.gz IFPVZSLMPWJVGZ-UHFFFAOYSA-N 1 2 418.475 1.920 20 0 HDADLO CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000611509663 1075950812 /nfs/dbraw/zinc/95/08/12/1075950812.db2.gz BYGPUEGRJZJZSM-UHFFFAOYSA-N 1 2 423.491 1.721 20 0 HDADLO COC[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001671063739 1075982762 /nfs/dbraw/zinc/98/27/62/1075982762.db2.gz QYQHTDAEKIWJKI-INIZCTEOSA-N 1 2 421.357 1.778 20 0 HDADLO CC(C)[C@@H](CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[NH+]1CCN(C)CC1 ZINC000733156903 1075989214 /nfs/dbraw/zinc/98/92/14/1075989214.db2.gz JTBZKNRCKFMHFZ-GOSISDBHSA-N 1 2 417.579 1.464 20 0 HDADLO CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000493816864 1075992807 /nfs/dbraw/zinc/99/28/07/1075992807.db2.gz JICKLLLLIAXEPG-LLVKDONJSA-N 1 2 423.399 1.799 20 0 HDADLO CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000493816864 1075992809 /nfs/dbraw/zinc/99/28/09/1075992809.db2.gz JICKLLLLIAXEPG-LLVKDONJSA-N 1 2 423.399 1.799 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000733293627 1076041014 /nfs/dbraw/zinc/04/10/14/1076041014.db2.gz QOLUHCKPAKRHIQ-XIKOKIGWSA-N 1 2 409.874 1.300 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000733293627 1076041018 /nfs/dbraw/zinc/04/10/18/1076041018.db2.gz QOLUHCKPAKRHIQ-XIKOKIGWSA-N 1 2 409.874 1.300 20 0 HDADLO O=C(c1ccc(=O)[nH]n1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000053195970 1076054985 /nfs/dbraw/zinc/05/49/85/1076054985.db2.gz ACZBEUHZEARHEE-UHFFFAOYSA-N 1 2 400.464 1.684 20 0 HDADLO Cc1occc1C(=O)NC1CC[NH+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC1 ZINC000727426376 1076127839 /nfs/dbraw/zinc/12/78/39/1076127839.db2.gz RDUHLLHDTTXARI-UHFFFAOYSA-N 1 2 400.479 1.850 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733649775 1076141777 /nfs/dbraw/zinc/14/17/77/1076141777.db2.gz YOKUOCDDXLGKSF-SFHVURJKSA-N 1 2 403.527 1.539 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)cc2)CC1 ZINC000733675363 1076157346 /nfs/dbraw/zinc/15/73/46/1076157346.db2.gz XYNYYFPXJXSXES-MRXNPFEDSA-N 1 2 416.444 1.456 20 0 HDADLO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000727731989 1076213667 /nfs/dbraw/zinc/21/36/67/1076213667.db2.gz YRCOHKAFMGBPEH-IRXDYDNUSA-N 1 2 420.558 1.654 20 0 HDADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000727736198 1076214258 /nfs/dbraw/zinc/21/42/58/1076214258.db2.gz JGSDGZBNXATACP-KWKDUPADSA-N 1 2 421.501 1.919 20 0 HDADLO O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727739481 1076215430 /nfs/dbraw/zinc/21/54/30/1076215430.db2.gz WFXLHWFRQMAQJF-ZDUSSCGKSA-N 1 2 400.460 1.736 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC001299318609 1076247319 /nfs/dbraw/zinc/24/73/19/1076247319.db2.gz JQIQNQQIQSJNKR-UHFFFAOYSA-N 1 2 419.931 1.131 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001299318933 1076247662 /nfs/dbraw/zinc/24/76/62/1076247662.db2.gz MLDFKBDQXAJXFE-MSOLQXFVSA-N 1 2 413.559 1.876 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001299318936 1076247712 /nfs/dbraw/zinc/24/77/12/1076247712.db2.gz MLDFKBDQXAJXFE-ZWKOTPCHSA-N 1 2 413.559 1.876 20 0 HDADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535278709 1076251835 /nfs/dbraw/zinc/25/18/35/1076251835.db2.gz WUUGLXFAOWICEN-SFHVURJKSA-N 1 2 401.488 1.640 20 0 HDADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535278709 1076251839 /nfs/dbraw/zinc/25/18/39/1076251839.db2.gz WUUGLXFAOWICEN-SFHVURJKSA-N 1 2 401.488 1.640 20 0 HDADLO COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1C(=O)N(C)C ZINC000536022181 1076253896 /nfs/dbraw/zinc/25/38/96/1076253896.db2.gz GLTGCWHGYBFWCA-SFHVURJKSA-N 1 2 403.504 1.862 20 0 HDADLO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1C(=O)N(C)C ZINC000536022181 1076253900 /nfs/dbraw/zinc/25/39/00/1076253900.db2.gz GLTGCWHGYBFWCA-SFHVURJKSA-N 1 2 403.504 1.862 20 0 HDADLO NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000536104114 1076255706 /nfs/dbraw/zinc/25/57/06/1076255706.db2.gz VRWFMTOUTOPILT-CYBMUJFWSA-N 1 2 401.916 1.314 20 0 HDADLO NC(=O)[C@H]1CC(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)=NN1c1ccccc1 ZINC000144331623 1076256849 /nfs/dbraw/zinc/25/68/49/1076256849.db2.gz BMVFAYUXWQSLTQ-LJQANCHMSA-N 1 2 406.421 1.748 20 0 HDADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000727946765 1076292938 /nfs/dbraw/zinc/29/29/38/1076292938.db2.gz NNLBIDJALAVJLU-INIZCTEOSA-N 1 2 414.445 1.476 20 0 HDADLO CC1CCC(=CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000734101458 1076304321 /nfs/dbraw/zinc/30/43/21/1076304321.db2.gz XTHSNTAUXVZUPL-UHFFFAOYSA-N 1 2 406.552 1.786 20 0 HDADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000728022215 1076307171 /nfs/dbraw/zinc/30/71/71/1076307171.db2.gz NCQNTTAGPGFXNI-PTWGCIMZSA-N 1 2 413.609 1.568 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)/C=C/c3cnccn3)cc2)CC1 ZINC000728030892 1076311925 /nfs/dbraw/zinc/31/19/25/1076311925.db2.gz UZDNPLDBKSOOKA-QPJJXVBHSA-N 1 2 423.517 1.392 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 ZINC000728031704 1076312312 /nfs/dbraw/zinc/31/23/12/1076312312.db2.gz FSUYCKKGYVJJON-HXUWFJFHSA-N 1 2 421.501 1.460 20 0 HDADLO C[N@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000728054540 1076321618 /nfs/dbraw/zinc/32/16/18/1076321618.db2.gz HSRLQARJXHTENG-LLVKDONJSA-N 1 2 400.722 1.819 20 0 HDADLO C[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000728054540 1076321621 /nfs/dbraw/zinc/32/16/21/1076321621.db2.gz HSRLQARJXHTENG-LLVKDONJSA-N 1 2 400.722 1.819 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000027815960 1076360701 /nfs/dbraw/zinc/36/07/01/1076360701.db2.gz XXJZUNWSZIEWFX-ZDUSSCGKSA-N 1 2 400.508 1.226 20 0 HDADLO O=C(C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCCc2ccccc21 ZINC001084532762 1076369672 /nfs/dbraw/zinc/36/96/72/1076369672.db2.gz NIMDOXSEAKPZCZ-FGFAYORZSA-N 1 2 421.541 1.922 20 0 HDADLO O=C(C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1)N1CCCc2ccccc21 ZINC001084532762 1076369678 /nfs/dbraw/zinc/36/96/78/1076369678.db2.gz NIMDOXSEAKPZCZ-FGFAYORZSA-N 1 2 421.541 1.922 20 0 HDADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CN1CC[NH+](Cc3cnn(C)c3)CC1)C2=O ZINC000729987143 1076408286 /nfs/dbraw/zinc/40/82/86/1076408286.db2.gz UABCCLZXWJKJFP-IERDGZPVSA-N 1 2 402.543 1.632 20 0 HDADLO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730087676 1076441462 /nfs/dbraw/zinc/44/14/62/1076441462.db2.gz XEBXJJWOXOBRLS-IAGOWNOFSA-N 1 2 402.520 1.133 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000730096452 1076449492 /nfs/dbraw/zinc/44/94/92/1076449492.db2.gz RDQIOKOSGMYTMJ-UHFFFAOYSA-N 1 2 423.517 1.570 20 0 HDADLO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000730221068 1076481338 /nfs/dbraw/zinc/48/13/38/1076481338.db2.gz WEKRIYMDGLRWKT-UHFFFAOYSA-N 1 2 411.550 1.809 20 0 HDADLO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000730221068 1076481339 /nfs/dbraw/zinc/48/13/39/1076481339.db2.gz WEKRIYMDGLRWKT-UHFFFAOYSA-N 1 2 411.550 1.809 20 0 HDADLO CCCC(=O)NC1CC[NH+](CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000730252516 1076499086 /nfs/dbraw/zinc/49/90/86/1076499086.db2.gz NSWDUGYARVTXJL-JOCHJYFZSA-N 1 2 416.522 1.886 20 0 HDADLO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)[C@H]1CCOC1 ZINC000730265416 1076507195 /nfs/dbraw/zinc/50/71/95/1076507195.db2.gz UJRRSKHBJNWDOA-INIZCTEOSA-N 1 2 408.524 1.597 20 0 HDADLO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)[C@H]1CCOC1 ZINC000730265416 1076507205 /nfs/dbraw/zinc/50/72/05/1076507205.db2.gz UJRRSKHBJNWDOA-INIZCTEOSA-N 1 2 408.524 1.597 20 0 HDADLO C[C@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C)C(N)=O ZINC000730520773 1076587743 /nfs/dbraw/zinc/58/77/43/1076587743.db2.gz NKWKMIUNGBXULJ-YOEHRIQHSA-N 1 2 415.494 1.357 20 0 HDADLO C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730677793 1076635868 /nfs/dbraw/zinc/63/58/68/1076635868.db2.gz QJPCNKNBKAXHLJ-INIZCTEOSA-N 1 2 408.518 1.821 20 0 HDADLO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000730785499 1076656883 /nfs/dbraw/zinc/65/68/83/1076656883.db2.gz BTXPUWVXOCZWRO-GFCCVEGCSA-N 1 2 405.314 1.303 20 0 HDADLO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000730785499 1076656886 /nfs/dbraw/zinc/65/68/86/1076656886.db2.gz BTXPUWVXOCZWRO-GFCCVEGCSA-N 1 2 405.314 1.303 20 0 HDADLO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000730786567 1076657551 /nfs/dbraw/zinc/65/75/51/1076657551.db2.gz FJWJCJCLSVFZCW-LLVKDONJSA-N 1 2 405.314 1.303 20 0 HDADLO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000730786567 1076657553 /nfs/dbraw/zinc/65/75/53/1076657553.db2.gz FJWJCJCLSVFZCW-LLVKDONJSA-N 1 2 405.314 1.303 20 0 HDADLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000730817573 1076669568 /nfs/dbraw/zinc/66/95/68/1076669568.db2.gz VJDILQYSAGMSMD-UKRRQHHQSA-N 1 2 403.483 1.734 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4ncsc43)CC2)C1=O ZINC001164641948 719274697 /nfs/dbraw/zinc/27/46/97/719274697.db2.gz VFFOUWMIRHZVMM-UHFFFAOYSA-N 1 2 410.931 1.499 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4ncsc43)CC2)C1=O ZINC001164641948 719274701 /nfs/dbraw/zinc/27/47/01/719274701.db2.gz VFFOUWMIRHZVMM-UHFFFAOYSA-N 1 2 410.931 1.499 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(N2CCCC2)n1 ZINC001164707083 719837535 /nfs/dbraw/zinc/83/75/35/719837535.db2.gz ZGBXZHTVTYYPMX-LAUBAEHRSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)c1cc(Cl)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164699884 719841398 /nfs/dbraw/zinc/84/13/98/719841398.db2.gz ISEWADNDLRXVBL-AUUYWEPGSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1OC ZINC001164704600 719843345 /nfs/dbraw/zinc/84/33/45/719843345.db2.gz SBYFVQMBJANOQY-JLTOFOAXSA-N 1 2 407.467 1.110 20 0 HDADLO CCOC(=O)c1cc(C)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164700420 719847651 /nfs/dbraw/zinc/84/76/51/719847651.db2.gz KLGLDBGOLJGIDH-QRWLVFNGSA-N 1 2 406.483 1.194 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(C)c1 ZINC001164703958 719848299 /nfs/dbraw/zinc/84/82/99/719848299.db2.gz RPDOFAUKSCSHBR-UWJYYQICSA-N 1 2 405.495 1.799 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C ZINC001164704747 719852388 /nfs/dbraw/zinc/85/23/88/719852388.db2.gz SOWMLVQGIBEYFR-QRWLVFNGSA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-n2cnc(C)c2)nn1 ZINC001164706365 719862220 /nfs/dbraw/zinc/86/22/20/719862220.db2.gz WPOZMVLJHFFPAI-JXFKEZNVSA-N 1 2 400.483 1.203 20 0 HDADLO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707779 719863643 /nfs/dbraw/zinc/86/36/43/719863643.db2.gz VILQFQXYXBUTGW-IHMXKHASSA-N 1 2 417.506 1.809 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(-c2cccc(F)c2)n1 ZINC001164701252 719871470 /nfs/dbraw/zinc/87/14/70/719871470.db2.gz GNBIKGJSQKAZGH-LAUBAEHRSA-N 1 2 415.469 1.910 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cc[n+]([O-])c(Cl)c1 ZINC001164699003 719879512 /nfs/dbraw/zinc/87/95/12/719879512.db2.gz GOMPEOFUXAUQKT-RHSMWYFYSA-N 1 2 419.856 1.751 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3c(F)cccc31)CC2 ZINC001164708739 719904410 /nfs/dbraw/zinc/90/44/10/719904410.db2.gz JTJRGUWIIZATMG-UHFFFAOYSA-N 1 2 409.469 1.453 20 0 HDADLO Cc1nc(Cl)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C ZINC001164709006 719909815 /nfs/dbraw/zinc/90/98/15/719909815.db2.gz PBRFKVJUIMLBSS-UHFFFAOYSA-N 1 2 403.918 1.431 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)c(F)cc1N)CC2 ZINC001164708593 719917759 /nfs/dbraw/zinc/91/77/59/719917759.db2.gz MGAWGRCPYGSZAC-UHFFFAOYSA-N 1 2 407.881 1.140 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164702551 719929615 /nfs/dbraw/zinc/92/96/15/719929615.db2.gz GWTGSYCQHIJVQC-UHFFFAOYSA-N 1 2 414.901 1.295 20 0 HDADLO Cc1nc2ccccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164705498 720047702 /nfs/dbraw/zinc/04/77/02/720047702.db2.gz ZIYDVVLTRYOYAJ-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO Cc1cccc2c1ncnc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164705180 720048126 /nfs/dbraw/zinc/04/81/26/720048126.db2.gz VWGBAMSFKROHCF-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4c3C(=O)OC4(C)C)C2)C1 ZINC001164717585 720239303 /nfs/dbraw/zinc/23/93/03/720239303.db2.gz BPMFXLPEBMIOEN-OAQYLSRUSA-N 1 2 402.495 1.152 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4c3C(=O)OC4(C)C)C2)C1 ZINC001164717585 720239308 /nfs/dbraw/zinc/23/93/08/720239308.db2.gz BPMFXLPEBMIOEN-OAQYLSRUSA-N 1 2 402.495 1.152 20 0 HDADLO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(Cl)c1 ZINC001164720199 720254166 /nfs/dbraw/zinc/25/41/66/720254166.db2.gz SFNSVUSSSQNFSV-HXUWFJFHSA-N 1 2 424.929 1.577 20 0 HDADLO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(Cl)c1 ZINC001164720199 720254168 /nfs/dbraw/zinc/25/41/68/720254168.db2.gz SFNSVUSSSQNFSV-HXUWFJFHSA-N 1 2 424.929 1.577 20 0 HDADLO CSc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164825842 720436067 /nfs/dbraw/zinc/43/60/67/720436067.db2.gz VAOHQVJDYXKEDM-HNNXBMFYSA-N 1 2 404.540 1.385 20 0 HDADLO COCc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(C)n1 ZINC001164824128 720447392 /nfs/dbraw/zinc/44/73/92/720447392.db2.gz MKZCIOMNUWTGFU-KRWDZBQOSA-N 1 2 416.526 1.118 20 0 HDADLO COc1cc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164821949 720450278 /nfs/dbraw/zinc/45/02/78/720450278.db2.gz BDNWDAVDEXQSRW-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO COCOc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164827146 720454817 /nfs/dbraw/zinc/45/48/17/720454817.db2.gz ZHXIJSUIYPPYBS-KRWDZBQOSA-N 1 2 417.510 1.250 20 0 HDADLO Cc1cnc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830751 720455800 /nfs/dbraw/zinc/45/58/00/720455800.db2.gz LSCXFOSPOAFJFD-HNNXBMFYSA-N 1 2 406.918 1.625 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3ncsc3n1)C2 ZINC001164832665 720461109 /nfs/dbraw/zinc/46/11/09/720461109.db2.gz VGNICYPYJGFKQJ-AWEZNQCLSA-N 1 2 415.523 1.272 20 0 HDADLO CSc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nn1 ZINC001164829303 720470925 /nfs/dbraw/zinc/47/09/25/720470925.db2.gz FJHDSDXSYGVCPG-OAHLLOKOSA-N 1 2 404.540 1.385 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4S(C)(=O)=O)C[C@H]3C2)cn1 ZINC001164766927 721187582 /nfs/dbraw/zinc/18/75/82/721187582.db2.gz JPHRODQYAISSTM-HUUCEWRRSA-N 1 2 409.943 1.830 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)ccc4S(C)(=O)=O)C[C@H]3C2)cn1 ZINC001164766927 721187585 /nfs/dbraw/zinc/18/75/85/721187585.db2.gz JPHRODQYAISSTM-HUUCEWRRSA-N 1 2 409.943 1.830 20 0 HDADLO CCOC(=O)c1cnc(OC)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010760 721702714 /nfs/dbraw/zinc/70/27/14/721702714.db2.gz MASBYFFNVDGDPU-UHFFFAOYSA-N 1 2 403.487 1.504 20 0 HDADLO CCOC(=O)c1cnc(OC)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010760 721702717 /nfs/dbraw/zinc/70/27/17/721702717.db2.gz MASBYFFNVDGDPU-UHFFFAOYSA-N 1 2 403.487 1.504 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)N(C)C)cn1)C2 ZINC001165010070 721712653 /nfs/dbraw/zinc/71/26/53/721712653.db2.gz YKTDTXDZZXKQGB-UHFFFAOYSA-N 1 2 407.544 1.174 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)N(C)C)cn1)C2 ZINC001165010070 721712656 /nfs/dbraw/zinc/71/26/56/721712656.db2.gz YKTDTXDZZXKQGB-UHFFFAOYSA-N 1 2 407.544 1.174 20 0 HDADLO NC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164911936 721770250 /nfs/dbraw/zinc/77/02/50/721770250.db2.gz INZHPYCNMQHXKN-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164911936 721770253 /nfs/dbraw/zinc/77/02/53/721770253.db2.gz INZHPYCNMQHXKN-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO CCOC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164912895 721777282 /nfs/dbraw/zinc/77/72/82/721777282.db2.gz RNAAGHBUNMQHPQ-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164912895 721777284 /nfs/dbraw/zinc/77/72/84/721777284.db2.gz RNAAGHBUNMQHPQ-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO COc1cnnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916424 721781601 /nfs/dbraw/zinc/78/16/01/721781601.db2.gz QTIUNSLWUJJLDU-IBGZPJMESA-N 1 2 405.886 1.641 20 0 HDADLO COc1cnnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916424 721781605 /nfs/dbraw/zinc/78/16/05/721781605.db2.gz QTIUNSLWUJJLDU-IBGZPJMESA-N 1 2 405.886 1.641 20 0 HDADLO COCOc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914109 721783984 /nfs/dbraw/zinc/78/39/84/721783984.db2.gz BVIMOCNHNBJDPG-OAQYLSRUSA-N 1 2 400.479 1.567 20 0 HDADLO COCOc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914109 721783986 /nfs/dbraw/zinc/78/39/86/721783986.db2.gz BVIMOCNHNBJDPG-OAQYLSRUSA-N 1 2 400.479 1.567 20 0 HDADLO CCNC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914683 721793451 /nfs/dbraw/zinc/79/34/51/721793451.db2.gz QBRRCEXGBGTBJP-QFIPXVFZSA-N 1 2 411.506 1.334 20 0 HDADLO CCNC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914683 721793453 /nfs/dbraw/zinc/79/34/53/721793453.db2.gz QBRRCEXGBGTBJP-QFIPXVFZSA-N 1 2 411.506 1.334 20 0 HDADLO F[C@@H](Oc1cncc(Cl)n1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914300 721799121 /nfs/dbraw/zinc/79/91/21/721799121.db2.gz LJMXCALZIJNPLK-RTBURBONSA-N 1 2 423.876 1.760 20 0 HDADLO F[C@@H](Oc1cncc(Cl)n1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914300 721799122 /nfs/dbraw/zinc/79/91/22/721799122.db2.gz LJMXCALZIJNPLK-RTBURBONSA-N 1 2 423.876 1.760 20 0 HDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC001164944140 721972684 /nfs/dbraw/zinc/97/26/84/721972684.db2.gz GYZAEWFZSYYNOI-UHFFFAOYSA-N 1 2 412.465 1.978 20 0 HDADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC001164944140 721972687 /nfs/dbraw/zinc/97/26/87/721972687.db2.gz GYZAEWFZSYYNOI-UHFFFAOYSA-N 1 2 412.465 1.978 20 0 HDADLO COCc1nc(OC)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948965 721981636 /nfs/dbraw/zinc/98/16/36/721981636.db2.gz NSGVMBQFYMRTLD-UHFFFAOYSA-N 1 2 411.506 1.603 20 0 HDADLO COCc1nc(OC)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948965 721981637 /nfs/dbraw/zinc/98/16/37/721981637.db2.gz NSGVMBQFYMRTLD-UHFFFAOYSA-N 1 2 411.506 1.603 20 0 HDADLO O=C(c1cnc(N2CC[NH+](CCc3ccccn3)CC2)c(Cl)c1)N1CCOCC1 ZINC001165054800 722017833 /nfs/dbraw/zinc/01/78/33/722017833.db2.gz CWZAYIXFRCHCMW-UHFFFAOYSA-N 1 2 415.925 1.967 20 0 HDADLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000509072370 1073461543 /nfs/dbraw/zinc/46/15/43/1073461543.db2.gz TYRRSZOZENDNQJ-SFHVURJKSA-N 1 2 416.547 1.749 20 0 HDADLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000509072370 1073461550 /nfs/dbraw/zinc/46/15/50/1073461550.db2.gz TYRRSZOZENDNQJ-SFHVURJKSA-N 1 2 416.547 1.749 20 0 HDADLO Cc1c(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)nnn1-c1ccccc1Br ZINC001299281181 1073463151 /nfs/dbraw/zinc/46/31/51/1073463151.db2.gz LACHWTCGJGNQSG-GFCCVEGCSA-N 1 2 408.300 1.477 20 0 HDADLO Cc1c(C(=O)N2CC[N@H+](CCO)C[C@H]2C)nnn1-c1ccccc1Br ZINC001299281181 1073463159 /nfs/dbraw/zinc/46/31/59/1073463159.db2.gz LACHWTCGJGNQSG-GFCCVEGCSA-N 1 2 408.300 1.477 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000673637020 1073465291 /nfs/dbraw/zinc/46/52/91/1073465291.db2.gz FHIBEWFQBKNRJW-UHFFFAOYSA-N 1 2 422.533 1.230 20 0 HDADLO CCCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429050078 1073473041 /nfs/dbraw/zinc/47/30/41/1073473041.db2.gz CRAQOBAYSCJJFH-PMACEKPBSA-N 1 2 423.579 1.886 20 0 HDADLO CCCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429050078 1073473045 /nfs/dbraw/zinc/47/30/45/1073473045.db2.gz CRAQOBAYSCJJFH-PMACEKPBSA-N 1 2 423.579 1.886 20 0 HDADLO COC[C@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000671397605 1073499270 /nfs/dbraw/zinc/49/92/70/1073499270.db2.gz LSLBQCXXSMGABU-IBGZPJMESA-N 1 2 403.429 1.901 20 0 HDADLO C[C@@H](c1cccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1)[NH+]1CCOCC1 ZINC000429081376 1073525069 /nfs/dbraw/zinc/52/50/69/1073525069.db2.gz FVSCHRPDXKGJPA-INIZCTEOSA-N 1 2 412.494 1.694 20 0 HDADLO CCOC1CC(CNC(=O)C2CCN(CC(F)(F)F)CC2)([NH+]2CCOCC2)C1 ZINC000509109194 1073550506 /nfs/dbraw/zinc/55/05/06/1073550506.db2.gz QGSVDELBTUQHKQ-UHFFFAOYSA-N 1 2 407.477 1.647 20 0 HDADLO O=C(Cc1cn2c([nH+]1)CCCC2)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001004722677 1073572917 /nfs/dbraw/zinc/57/29/17/1073572917.db2.gz UIRSLTJHKTUJOB-GUTVJUKYSA-N 1 2 410.518 1.433 20 0 HDADLO O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000673658022 1073601842 /nfs/dbraw/zinc/60/18/42/1073601842.db2.gz KXGNOWKRHYPFMU-LJQANCHMSA-N 1 2 421.457 1.221 20 0 HDADLO O=C(Nc1nc2cc(Br)ccn2n1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001273102363 1073643515 /nfs/dbraw/zinc/64/35/15/1073643515.db2.gz GVXIXUXSAAMQIC-OLZOCXBDSA-N 1 2 410.272 1.310 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)[nH+]c12 ZINC000673725572 1073656532 /nfs/dbraw/zinc/65/65/32/1073656532.db2.gz QAAGLDAMGHLFLI-UHFFFAOYSA-N 1 2 419.489 1.693 20 0 HDADLO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673747459 1073681363 /nfs/dbraw/zinc/68/13/63/1073681363.db2.gz ORRVOPYTSGMSED-GOSISDBHSA-N 1 2 404.478 1.590 20 0 HDADLO COCCNS(=O)(=O)c1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673747507 1073681399 /nfs/dbraw/zinc/68/13/99/1073681399.db2.gz QAZJPECHYHQNMC-UHFFFAOYSA-N 1 2 416.503 1.540 20 0 HDADLO CCOC(=O)c1sc2ncnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)c2c1C ZINC000028800812 1073693677 /nfs/dbraw/zinc/69/36/77/1073693677.db2.gz OKATWUVJGJUQSM-ZDUSSCGKSA-N 1 2 417.535 1.966 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccn1 ZINC000509137763 1073696063 /nfs/dbraw/zinc/69/60/63/1073696063.db2.gz LGJJDRQQQJHXOL-NRFANRHFSA-N 1 2 410.430 1.314 20 0 HDADLO CC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673782168 1073718933 /nfs/dbraw/zinc/71/89/33/1073718933.db2.gz OKSVVPIOUNSMBO-GOSISDBHSA-N 1 2 416.522 1.477 20 0 HDADLO O=C(Nc1ccc(CN2CCCC2=O)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782029 1073719467 /nfs/dbraw/zinc/71/94/67/1073719467.db2.gz MQUDMMZTUVXFRA-IBGZPJMESA-N 1 2 414.506 1.071 20 0 HDADLO O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783672 1073721011 /nfs/dbraw/zinc/72/10/11/1073721011.db2.gz GPDHORIHSKTMFN-HNNXBMFYSA-N 1 2 401.385 1.847 20 0 HDADLO CC(C)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673783342 1073721525 /nfs/dbraw/zinc/72/15/25/1073721525.db2.gz SVWHVLPINBFVEQ-LJQANCHMSA-N 1 2 416.522 1.334 20 0 HDADLO Cc1cnn(-c2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)cc2F)c1 ZINC000673783245 1073722202 /nfs/dbraw/zinc/72/22/02/1073722202.db2.gz GVYVKHIWORNKPR-KRWDZBQOSA-N 1 2 415.469 1.582 20 0 HDADLO O=C(Nc1cccc(NC(=O)C2CC2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782985 1073722721 /nfs/dbraw/zinc/72/27/21/1073722721.db2.gz DOGCWXCFFWTHFH-GOSISDBHSA-N 1 2 400.479 1.297 20 0 HDADLO O=C(Nc1cccc(OCc2cccnc2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783718 1073723117 /nfs/dbraw/zinc/72/31/17/1073723117.db2.gz GXYQVZDTCJFIEV-NRFANRHFSA-N 1 2 424.501 1.922 20 0 HDADLO Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)c2)n1 ZINC000673784512 1073723894 /nfs/dbraw/zinc/72/38/94/1073723894.db2.gz ZTHPGPCLMVZDIA-HXUWFJFHSA-N 1 2 411.506 1.751 20 0 HDADLO O=C(Nc1ccccc1C(=O)N1CCCC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784412 1073724204 /nfs/dbraw/zinc/72/42/04/1073724204.db2.gz JTZKWMMHAIOIEB-KRWDZBQOSA-N 1 2 414.506 1.184 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OCC(F)F ZINC000673785654 1073727611 /nfs/dbraw/zinc/72/76/11/1073727611.db2.gz WSHWDZOIDAZYPC-INIZCTEOSA-N 1 2 411.449 1.901 20 0 HDADLO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785226 1073729294 /nfs/dbraw/zinc/72/92/94/1073729294.db2.gz ZZKNDUVEDIVJKO-INIZCTEOSA-N 1 2 413.478 1.148 20 0 HDADLO CSc1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)OCCO2 ZINC000673784807 1073729935 /nfs/dbraw/zinc/72/99/35/1073729935.db2.gz KVCFDJRKLVLMMC-CQSZACIVSA-N 1 2 421.519 1.441 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1ccccn1 ZINC000509148269 1073750311 /nfs/dbraw/zinc/75/03/11/1073750311.db2.gz AHZQGYQYFPJVLZ-LJQANCHMSA-N 1 2 413.413 1.203 20 0 HDADLO Cc1cccn2cc(CCNS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)[nH+]c12 ZINC000673823459 1073767834 /nfs/dbraw/zinc/76/78/34/1073767834.db2.gz MIOQFNNPYXUDBK-UHFFFAOYSA-N 1 2 407.517 1.876 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000029193326 1073778442 /nfs/dbraw/zinc/77/84/42/1073778442.db2.gz PEJUQQSJHDXEMT-UHFFFAOYSA-N 1 2 400.479 1.740 20 0 HDADLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000216301273 1073782393 /nfs/dbraw/zinc/78/23/93/1073782393.db2.gz SMVVWUNZJLANIP-INIZCTEOSA-N 1 2 411.531 1.579 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429150910 1073791308 /nfs/dbraw/zinc/79/13/08/1073791308.db2.gz PYSDHDDZVUDYRR-MRXNPFEDSA-N 1 2 404.511 1.780 20 0 HDADLO COC(=O)C1CCN(C(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000029632126 1073845730 /nfs/dbraw/zinc/84/57/30/1073845730.db2.gz LPJYNAWRRNXTEO-UHFFFAOYSA-N 1 2 403.527 1.442 20 0 HDADLO COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)c1 ZINC000673913423 1073881050 /nfs/dbraw/zinc/88/10/50/1073881050.db2.gz JZLVEQFWRXUGQD-NHCUHLMSSA-N 1 2 424.501 1.985 20 0 HDADLO COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2=O)c1 ZINC000673913423 1073881059 /nfs/dbraw/zinc/88/10/59/1073881059.db2.gz JZLVEQFWRXUGQD-NHCUHLMSSA-N 1 2 424.501 1.985 20 0 HDADLO CCc1nc([C@H](C)[NH2+]CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000543503853 1073894238 /nfs/dbraw/zinc/89/42/38/1073894238.db2.gz QMGZZJIYPBAALR-SOUVJXGZSA-N 1 2 415.581 1.551 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c(C)nnc2N2CC[C@@H](OCCOC)C2)nc[nH+]1 ZINC001299290538 1073969182 /nfs/dbraw/zinc/96/91/82/1073969182.db2.gz LCNSQIMQWUQCOE-IAGOWNOFSA-N 1 2 416.530 1.329 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c(C)nnc2N2CC[C@@H](OCCOC)C2)[nH+]cn1 ZINC001299290538 1073969183 /nfs/dbraw/zinc/96/91/83/1073969183.db2.gz LCNSQIMQWUQCOE-IAGOWNOFSA-N 1 2 416.530 1.329 20 0 HDADLO Cc1cc(NC(=O)C[N@H+](CCO)CCN2CCOCC2)ccc1Br ZINC000484414364 1073985263 /nfs/dbraw/zinc/98/52/63/1073985263.db2.gz SFPBXAIDGKLIHD-UHFFFAOYSA-N 1 2 400.317 1.323 20 0 HDADLO Cc1cc(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)ccc1Br ZINC000484414364 1073985264 /nfs/dbraw/zinc/98/52/64/1073985264.db2.gz SFPBXAIDGKLIHD-UHFFFAOYSA-N 1 2 400.317 1.323 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N3CCC[N@@H+](C(C)C)CC3)s[nH]2)c1 ZINC000543520716 1073990271 /nfs/dbraw/zinc/99/02/71/1073990271.db2.gz FMYBYYKVJCHFSB-UHFFFAOYSA-N 1 2 403.508 1.517 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N3CCC[N@H+](C(C)C)CC3)s[nH]2)c1 ZINC000543520716 1073990273 /nfs/dbraw/zinc/99/02/73/1073990273.db2.gz FMYBYYKVJCHFSB-UHFFFAOYSA-N 1 2 403.508 1.517 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@]3(C)CCOC3)cc2)CC1 ZINC000543524208 1073995044 /nfs/dbraw/zinc/99/50/44/1073995044.db2.gz LAVYFHAGEOKPEG-JOCHJYFZSA-N 1 2 403.523 1.315 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N3CCC([NH2+]C(C)C)CC3)s[nH]2)c1 ZINC000543528884 1074009735 /nfs/dbraw/zinc/00/97/35/1074009735.db2.gz GTIWNZNYERSFAO-UHFFFAOYSA-N 1 2 403.508 1.563 20 0 HDADLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466578642 1074010480 /nfs/dbraw/zinc/01/04/80/1074010480.db2.gz OAVFBMORNAFECF-HZPDHXFCSA-N 1 2 409.893 1.863 20 0 HDADLO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466578642 1074010492 /nfs/dbraw/zinc/01/04/92/1074010492.db2.gz OAVFBMORNAFECF-HZPDHXFCSA-N 1 2 409.893 1.863 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000509194199 1074043586 /nfs/dbraw/zinc/04/35/86/1074043586.db2.gz FLMBVJRLRDLMEU-LSDHHAIUSA-N 1 2 403.570 1.430 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000509194199 1074043593 /nfs/dbraw/zinc/04/35/93/1074043593.db2.gz FLMBVJRLRDLMEU-LSDHHAIUSA-N 1 2 403.570 1.430 20 0 HDADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1=O ZINC000429197274 1074049111 /nfs/dbraw/zinc/04/91/11/1074049111.db2.gz OBLXFNWEXKMSEY-ATZDWAIDSA-N 1 2 413.522 1.398 20 0 HDADLO CCOC(=O)N(C)CCCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001626094290 1074081139 /nfs/dbraw/zinc/08/11/39/1074081139.db2.gz YOAJWDYCUVOBSJ-UHFFFAOYSA-N 1 2 405.499 1.105 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cccc1F ZINC000674024857 1074082644 /nfs/dbraw/zinc/08/26/44/1074082644.db2.gz RESSRPHONUDHIY-ZDUSSCGKSA-N 1 2 410.508 1.484 20 0 HDADLO O=C(COc1ccccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)N1CCOCC1 ZINC000674026134 1074093247 /nfs/dbraw/zinc/09/32/47/1074093247.db2.gz UDGXAJDRYUBOFE-QGZVFWFLSA-N 1 2 413.478 1.990 20 0 HDADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000543560515 1074104299 /nfs/dbraw/zinc/10/42/99/1074104299.db2.gz GGQRDWKWVFYODX-HNNXBMFYSA-N 1 2 414.337 1.053 20 0 HDADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000543560515 1074104306 /nfs/dbraw/zinc/10/43/06/1074104306.db2.gz GGQRDWKWVFYODX-HNNXBMFYSA-N 1 2 414.337 1.053 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2)cc[nH+]1 ZINC000543562743 1074114766 /nfs/dbraw/zinc/11/47/66/1074114766.db2.gz VOFGEJPQRLEECZ-IBGZPJMESA-N 1 2 409.490 1.861 20 0 HDADLO O=C(CCNS(=O)(=O)c1cccnc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000509211517 1074143545 /nfs/dbraw/zinc/14/35/45/1074143545.db2.gz OGEFTSGETMUOHO-UHFFFAOYSA-N 1 2 409.537 1.831 20 0 HDADLO CCOC1CC(CNC(=O)c2ccc(C)c(N3CCOCC3)c2)([NH+]2CCOCC2)C1 ZINC001128616055 1074184881 /nfs/dbraw/zinc/18/48/81/1074184881.db2.gz FMACJDKOZVHMRC-UHFFFAOYSA-N 1 2 417.550 1.831 20 0 HDADLO O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674204006 1074218993 /nfs/dbraw/zinc/21/89/93/1074218993.db2.gz QLGCJDFTKDIPHO-INIZCTEOSA-N 1 2 417.491 1.126 20 0 HDADLO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674203171 1074219032 /nfs/dbraw/zinc/21/90/32/1074219032.db2.gz JCUVGSQWEJZHFI-LBPRGKRZSA-N 1 2 410.883 1.742 20 0 HDADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674204196 1074219472 /nfs/dbraw/zinc/21/94/72/1074219472.db2.gz VOMBZBXMFLPKOO-INIZCTEOSA-N 1 2 419.507 1.372 20 0 HDADLO NC(=O)[C@@H]1c2ccccc2CCN1CCOCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000674234630 1074237798 /nfs/dbraw/zinc/23/77/98/1074237798.db2.gz XBZOLMOIGYEXDZ-VXKWHMMOSA-N 1 2 422.529 1.172 20 0 HDADLO NC(=O)[C@@H]1c2ccccc2CCN1CCOCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000674234630 1074237801 /nfs/dbraw/zinc/23/78/01/1074237801.db2.gz XBZOLMOIGYEXDZ-VXKWHMMOSA-N 1 2 422.529 1.172 20 0 HDADLO Cc1cnc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)s1 ZINC000674270841 1074250648 /nfs/dbraw/zinc/25/06/48/1074250648.db2.gz JWQXTDYIZMYXLJ-AWEZNQCLSA-N 1 2 415.519 1.655 20 0 HDADLO COCC(=O)NC1CC[NH+](Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000674305601 1074261090 /nfs/dbraw/zinc/26/10/90/1074261090.db2.gz TXDSFQBQMWPYJG-UHFFFAOYSA-N 1 2 402.520 1.800 20 0 HDADLO O=C(NCc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000038528128 1074283931 /nfs/dbraw/zinc/28/39/31/1074283931.db2.gz YLLMPUIYDPQWHF-UHFFFAOYSA-N 1 2 416.913 1.998 20 0 HDADLO O=C(NCc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000038528128 1074283938 /nfs/dbraw/zinc/28/39/38/1074283938.db2.gz YLLMPUIYDPQWHF-UHFFFAOYSA-N 1 2 416.913 1.998 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000674392770 1074309287 /nfs/dbraw/zinc/30/92/87/1074309287.db2.gz GYEOASHIRAFRSF-FQEVSTJZSA-N 1 2 414.506 1.495 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000674396638 1074310769 /nfs/dbraw/zinc/31/07/69/1074310769.db2.gz UPBCWSSLIZFIGK-NVXWUHKLSA-N 1 2 412.481 1.126 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000674428627 1074317049 /nfs/dbraw/zinc/31/70/49/1074317049.db2.gz IIDLFWOOZIGNSC-VLIAUNLRSA-N 1 2 414.441 1.531 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1=O ZINC000674421405 1074323874 /nfs/dbraw/zinc/32/38/74/1074323874.db2.gz WRJVPORYSSFWBE-YJYMSZOUSA-N 1 2 420.539 1.971 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1=O ZINC000674424424 1074327748 /nfs/dbraw/zinc/32/77/48/1074327748.db2.gz QRPFFEDFLHHZNU-LAUBAEHRSA-N 1 2 410.478 1.451 20 0 HDADLO CC(C)(CNC(=O)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000674463653 1074355848 /nfs/dbraw/zinc/35/58/48/1074355848.db2.gz RFILDTOFTFSLIY-TXEJJXNPSA-N 1 2 405.383 1.886 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674474077 1074370563 /nfs/dbraw/zinc/37/05/63/1074370563.db2.gz UMTFSMBCZOARKV-UHFFFAOYSA-N 1 2 410.474 1.468 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)CCN2C1=O ZINC000674502329 1074396968 /nfs/dbraw/zinc/39/69/68/1074396968.db2.gz SUNGJTVVZJDWQX-FQEVSTJZSA-N 1 2 421.501 1.752 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)CCN2C1=O ZINC000674502329 1074396976 /nfs/dbraw/zinc/39/69/76/1074396976.db2.gz SUNGJTVVZJDWQX-FQEVSTJZSA-N 1 2 421.501 1.752 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)c3cc(C)n(CC(F)(F)F)c3C)CCN2C1=O ZINC000674502543 1074399559 /nfs/dbraw/zinc/39/95/59/1074399559.db2.gz ZLYNYKCVTXWWAL-AWEZNQCLSA-N 1 2 400.401 1.818 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)c3cc(C)n(CC(F)(F)F)c3C)CCN2C1=O ZINC000674502543 1074399563 /nfs/dbraw/zinc/39/95/63/1074399563.db2.gz ZLYNYKCVTXWWAL-AWEZNQCLSA-N 1 2 400.401 1.818 20 0 HDADLO O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001626100608 1074409899 /nfs/dbraw/zinc/40/98/99/1074409899.db2.gz JHKHOBQGXPAQSD-UHFFFAOYSA-N 1 2 418.490 1.418 20 0 HDADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1noc(-c2ccccc2)n1 ZINC000674614362 1074484271 /nfs/dbraw/zinc/48/42/71/1074484271.db2.gz YMVUPLLGGNLQFW-DOTOQJQBSA-N 1 2 413.478 1.237 20 0 HDADLO COc1ccc([C@H](CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)[NH+]2CCCCC2)cc1 ZINC000674682535 1074521925 /nfs/dbraw/zinc/52/19/25/1074521925.db2.gz NDWKZYRSFQNZOT-QUCCMNQESA-N 1 2 423.579 1.457 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000674713824 1074533558 /nfs/dbraw/zinc/53/35/58/1074533558.db2.gz ADTMLRMJSVXGEB-HNNXBMFYSA-N 1 2 413.540 1.511 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@H+]2CCCC[C@H]2CO)c1 ZINC000674713824 1074533562 /nfs/dbraw/zinc/53/35/62/1074533562.db2.gz ADTMLRMJSVXGEB-HNNXBMFYSA-N 1 2 413.540 1.511 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)c1ccccc1 ZINC000674725499 1074541001 /nfs/dbraw/zinc/54/10/01/1074541001.db2.gz HUTKNYPXJUQRND-VGSWGCGISA-N 1 2 424.505 1.724 20 0 HDADLO Cn1cc(Br)cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1=O ZINC000674764932 1074559452 /nfs/dbraw/zinc/55/94/52/1074559452.db2.gz NSRYDWONMBERKC-UHFFFAOYSA-N 1 2 419.279 1.218 20 0 HDADLO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000674793523 1074568532 /nfs/dbraw/zinc/56/85/32/1074568532.db2.gz XEFRLHAPXQDTDT-YJBOKZPZSA-N 1 2 418.538 1.897 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@@](C)(CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766078644 1074587986 /nfs/dbraw/zinc/58/79/86/1074587986.db2.gz VRGNXDFAOQWBPJ-IBGZPJMESA-N 1 2 419.588 1.665 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN3CCO[C@@H]([C@H]4CCCO4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000674913522 1074618776 /nfs/dbraw/zinc/61/87/76/1074618776.db2.gz BQDVOCLGZZFHOA-RTBURBONSA-N 1 2 417.554 1.437 20 0 HDADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC001128898333 1074647873 /nfs/dbraw/zinc/64/78/73/1074647873.db2.gz GFQZGGSUWPNJIJ-TZMCWYRMSA-N 1 2 421.299 1.360 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000674975737 1074649515 /nfs/dbraw/zinc/64/95/15/1074649515.db2.gz NUROGRKFWATEKQ-RTBURBONSA-N 1 2 402.495 1.486 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCC(OCCCO)CC1 ZINC000674979511 1074652278 /nfs/dbraw/zinc/65/22/78/1074652278.db2.gz DFUYHTONGDMSLR-FQEVSTJZSA-N 1 2 405.539 1.503 20 0 HDADLO CNc1nnc(CC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)s1 ZINC000546122078 1074668324 /nfs/dbraw/zinc/66/83/24/1074668324.db2.gz SWYKVPHQFASLCC-UHFFFAOYSA-N 1 2 409.313 2.200 20 0 HDADLO Cc1cc(N2CC[C@H](NC(=O)c3cccc(CNc4cc[nH+]c(C)n4)c3)C2=O)n(C)n1 ZINC000541674755 1074676916 /nfs/dbraw/zinc/67/69/16/1074676916.db2.gz OXALZSZBAQSXLJ-SFHVURJKSA-N 1 2 419.489 1.974 20 0 HDADLO CC(C)n1cc(S(=O)(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000509238639 1074698241 /nfs/dbraw/zinc/69/82/41/1074698241.db2.gz XFWRQWBGTSMMFX-INIZCTEOSA-N 1 2 405.524 1.962 20 0 HDADLO CC(C)n1cc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000509238639 1074698245 /nfs/dbraw/zinc/69/82/45/1074698245.db2.gz XFWRQWBGTSMMFX-INIZCTEOSA-N 1 2 405.524 1.962 20 0 HDADLO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)n1 ZINC001034325073 1074699669 /nfs/dbraw/zinc/69/96/69/1074699669.db2.gz RMMUSZQYOVVRHS-UWGWQUPMSA-N 1 2 401.511 1.061 20 0 HDADLO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)n1 ZINC001034325073 1074699673 /nfs/dbraw/zinc/69/96/73/1074699673.db2.gz RMMUSZQYOVVRHS-UWGWQUPMSA-N 1 2 401.511 1.061 20 0 HDADLO CC(C)n1cc2c(n1)C[C@@H](NC(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000483169635 1074710578 /nfs/dbraw/zinc/71/05/78/1074710578.db2.gz PAWSESUJOAQTFL-KRWDZBQOSA-N 1 2 401.515 1.672 20 0 HDADLO CC[NH+]1CCN([C@@H]2CCN(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)C2)CC1 ZINC000543614344 1074713164 /nfs/dbraw/zinc/71/31/64/1074713164.db2.gz LFMIKJHJMIQXEI-MRXNPFEDSA-N 1 2 416.551 1.879 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CCN2C1=O ZINC000675105011 1074720288 /nfs/dbraw/zinc/72/02/88/1074720288.db2.gz VHQFPGARLJXTNW-CQSZACIVSA-N 1 2 406.512 1.629 20 0 HDADLO C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)c1nnc2ccccn21 ZINC000543614560 1074725183 /nfs/dbraw/zinc/72/51/83/1074725183.db2.gz HSIISGCEEKKGIM-AWEZNQCLSA-N 1 2 408.466 1.395 20 0 HDADLO C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)c1nnc2ccccn21 ZINC000543614561 1074725290 /nfs/dbraw/zinc/72/52/90/1074725290.db2.gz HSIISGCEEKKGIM-CQSZACIVSA-N 1 2 408.466 1.395 20 0 HDADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1=O ZINC000675124684 1074725292 /nfs/dbraw/zinc/72/52/92/1074725292.db2.gz QODXEYHPIFZZCI-SFHVURJKSA-N 1 2 422.485 1.049 20 0 HDADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000675126454 1074731973 /nfs/dbraw/zinc/73/19/73/1074731973.db2.gz IKSGLTWYUDPSDC-ROUUACIJSA-N 1 2 422.485 1.220 20 0 HDADLO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000675126454 1074731982 /nfs/dbraw/zinc/73/19/82/1074731982.db2.gz IKSGLTWYUDPSDC-ROUUACIJSA-N 1 2 422.485 1.220 20 0 HDADLO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)nn1-c1cccc(F)c1 ZINC000537382429 1074750710 /nfs/dbraw/zinc/75/07/10/1074750710.db2.gz FOGRHLULFPEAMM-SFHVURJKSA-N 1 2 417.485 1.731 20 0 HDADLO CCOCCO[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000543614689 1074752708 /nfs/dbraw/zinc/75/27/08/1074752708.db2.gz HNOGBWMILLWXPN-KRWDZBQOSA-N 1 2 405.499 1.129 20 0 HDADLO c1csc(-c2ccn(CN3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)n2)n1 ZINC000766096559 1074754468 /nfs/dbraw/zinc/75/44/68/1074754468.db2.gz XOECFYQCFIWCNX-UHFFFAOYSA-N 1 2 412.523 1.413 20 0 HDADLO C[C@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccncc1 ZINC000675217292 1074759615 /nfs/dbraw/zinc/75/96/15/1074759615.db2.gz LLPFKJHLCYMYBD-MJGOQNOKSA-N 1 2 410.522 1.987 20 0 HDADLO C[C@H](CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccncc1 ZINC000675217292 1074759625 /nfs/dbraw/zinc/75/96/25/1074759625.db2.gz LLPFKJHLCYMYBD-MJGOQNOKSA-N 1 2 410.522 1.987 20 0 HDADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218637 1074761112 /nfs/dbraw/zinc/76/11/12/1074761112.db2.gz RQJPMVJSGJFYSM-VXGBXAGGSA-N 1 2 416.341 1.562 20 0 HDADLO O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219968 1074761765 /nfs/dbraw/zinc/76/17/65/1074761765.db2.gz UPHVZJFCGHEMJI-YOEHRIQHSA-N 1 2 422.323 1.735 20 0 HDADLO COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000675219873 1074762006 /nfs/dbraw/zinc/76/20/06/1074762006.db2.gz QYTZQCPRAOKBJM-GOEBONIOSA-N 1 2 407.898 1.635 20 0 HDADLO O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219526 1074762882 /nfs/dbraw/zinc/76/28/82/1074762882.db2.gz WRZSSVCVNZIGBZ-GOSISDBHSA-N 1 2 407.536 1.408 20 0 HDADLO CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000675264727 1074775506 /nfs/dbraw/zinc/77/55/06/1074775506.db2.gz OKCVHXDHLVLHHN-HNNXBMFYSA-N 1 2 408.455 1.369 20 0 HDADLO O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675281276 1074785969 /nfs/dbraw/zinc/78/59/69/1074785969.db2.gz NMEGHPYTBAMUOC-QGZVFWFLSA-N 1 2 400.504 1.871 20 0 HDADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766102084 1074801116 /nfs/dbraw/zinc/80/11/16/1074801116.db2.gz BLUPCOYSRAEOKL-VQTJNVASSA-N 1 2 402.491 1.458 20 0 HDADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766102084 1074801121 /nfs/dbraw/zinc/80/11/21/1074801121.db2.gz BLUPCOYSRAEOKL-VQTJNVASSA-N 1 2 402.491 1.458 20 0 HDADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448478827 1074811979 /nfs/dbraw/zinc/81/19/79/1074811979.db2.gz PZRFKIGRAFDRIZ-UHFFFAOYSA-N 1 2 406.368 1.945 20 0 HDADLO CCCCCC(=O)NC1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438336416 1074817143 /nfs/dbraw/zinc/81/71/43/1074817143.db2.gz URSMEZSDXDYTDI-UHFFFAOYSA-N 1 2 420.558 1.908 20 0 HDADLO COC(=O)c1cn(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c2ccccc12 ZINC000518232010 1075106223 /nfs/dbraw/zinc/10/62/23/1075106223.db2.gz JDCLUYRNPWFGTG-UHFFFAOYSA-N 1 2 411.462 1.595 20 0 HDADLO O=C(Nc1ccccc1O[C@H]1CCOC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675397089 1075125581 /nfs/dbraw/zinc/12/55/81/1075125581.db2.gz KJRBRDODRJTUOA-SJORKVTESA-N 1 2 403.479 1.116 20 0 HDADLO O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427046177 1075153714 /nfs/dbraw/zinc/15/37/14/1075153714.db2.gz VLUAREYLRYUOJT-ZDUSSCGKSA-N 1 2 418.379 2.157 20 0 HDADLO O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429349239 1075155143 /nfs/dbraw/zinc/15/51/43/1075155143.db2.gz AGIFJOUZHJDJET-MRXNPFEDSA-N 1 2 409.494 1.473 20 0 HDADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000042384664 1075157231 /nfs/dbraw/zinc/15/72/31/1075157231.db2.gz KHYUNCKIQVFYIY-CQSZACIVSA-N 1 2 410.921 1.709 20 0 HDADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000042384660 1075157600 /nfs/dbraw/zinc/15/76/00/1075157600.db2.gz KHYUNCKIQVFYIY-AWEZNQCLSA-N 1 2 410.921 1.709 20 0 HDADLO O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000429350381 1075164737 /nfs/dbraw/zinc/16/47/37/1075164737.db2.gz DBISDDPIGLTBGQ-LJQANCHMSA-N 1 2 423.517 1.985 20 0 HDADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000466985917 1075177311 /nfs/dbraw/zinc/17/73/11/1075177311.db2.gz ZZZZAFZLGONUJK-GFCCVEGCSA-N 1 2 422.477 1.499 20 0 HDADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC001005738239 1075181468 /nfs/dbraw/zinc/18/14/68/1075181468.db2.gz NWYUJMSYAQZBOL-XUFBONQXSA-N 1 2 401.482 1.698 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000551634936 1075184721 /nfs/dbraw/zinc/18/47/21/1075184721.db2.gz MUFNSWSZPUOPPE-FQEVSTJZSA-N 1 2 423.517 1.908 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000532813104 1075184955 /nfs/dbraw/zinc/18/49/55/1075184955.db2.gz NJUDLQMRGUDFPP-FQEVSTJZSA-N 1 2 411.506 1.811 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000467391471 1075187393 /nfs/dbraw/zinc/18/73/93/1075187393.db2.gz RPAFCTRZCJMKNL-GOSISDBHSA-N 1 2 419.913 2.474 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000517522064 1075189787 /nfs/dbraw/zinc/18/97/87/1075189787.db2.gz MFAOUFFXBSLJSR-LJQANCHMSA-N 1 2 411.506 1.706 20 0 HDADLO CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000469913460 1075198292 /nfs/dbraw/zinc/19/82/92/1075198292.db2.gz HNDULVCCISXKQX-UHFFFAOYSA-N 1 2 414.510 2.341 20 0 HDADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000675586671 1075208313 /nfs/dbraw/zinc/20/83/13/1075208313.db2.gz DTFKLNUBQFOBPC-HXUWFJFHSA-N 1 2 411.506 1.653 20 0 HDADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675574024 1075209166 /nfs/dbraw/zinc/20/91/66/1075209166.db2.gz ILWLLMIMMCVSPZ-SFTDATJTSA-N 1 2 414.550 1.978 20 0 HDADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675574024 1075209169 /nfs/dbraw/zinc/20/91/69/1075209169.db2.gz ILWLLMIMMCVSPZ-SFTDATJTSA-N 1 2 414.550 1.978 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000675583107 1075213130 /nfs/dbraw/zinc/21/31/30/1075213130.db2.gz BGAYDTRUAAVNKN-UHFFFAOYSA-N 1 2 400.483 1.524 20 0 HDADLO Cc1cc(N2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)CC2)nc(C(C)C)[nH+]1 ZINC000675587895 1075226427 /nfs/dbraw/zinc/22/64/27/1075226427.db2.gz RWUCWRQNQNKVRJ-UHFFFAOYSA-N 1 2 411.510 1.802 20 0 HDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)C1 ZINC000502772294 1075227212 /nfs/dbraw/zinc/22/72/12/1075227212.db2.gz FGICWYFYBFWAPQ-JTQLQIEISA-N 1 2 401.414 1.918 20 0 HDADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)CC1 ZINC000541681869 1075239280 /nfs/dbraw/zinc/23/92/80/1075239280.db2.gz HBMWHEQFPQYHIX-UHFFFAOYSA-N 1 2 410.522 1.681 20 0 HDADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)CC1 ZINC000541681869 1075239283 /nfs/dbraw/zinc/23/92/83/1075239283.db2.gz HBMWHEQFPQYHIX-UHFFFAOYSA-N 1 2 410.522 1.681 20 0 HDADLO COC[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(Cl)c1 ZINC000558205503 1075239807 /nfs/dbraw/zinc/23/98/07/1075239807.db2.gz LZBQVADBUBEGIT-QGZVFWFLSA-N 1 2 407.902 2.378 20 0 HDADLO C[C@@H](c1nc(-c2nc[nH]n2)no1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000675610915 1075245048 /nfs/dbraw/zinc/24/50/48/1075245048.db2.gz VDYYMRGSQVXQLZ-GXTWGEPZSA-N 1 2 408.426 1.024 20 0 HDADLO C[C@@H](c1nc(-c2nc[nH]n2)no1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000675610915 1075245050 /nfs/dbraw/zinc/24/50/50/1075245050.db2.gz VDYYMRGSQVXQLZ-GXTWGEPZSA-N 1 2 408.426 1.024 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000426931095 1075247589 /nfs/dbraw/zinc/24/75/89/1075247589.db2.gz AEUKAQKZMUZNES-XZOAIXRZSA-N 1 2 421.448 1.869 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000426931095 1075247595 /nfs/dbraw/zinc/24/75/95/1075247595.db2.gz AEUKAQKZMUZNES-XZOAIXRZSA-N 1 2 421.448 1.869 20 0 HDADLO CO[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000675677438 1075252792 /nfs/dbraw/zinc/25/27/92/1075252792.db2.gz YNLNEEKDMCCVKJ-QAPCUYQASA-N 1 2 409.914 1.324 20 0 HDADLO Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675698395 1075253448 /nfs/dbraw/zinc/25/34/48/1075253448.db2.gz PVPLULYTOGGYEJ-KRWDZBQOSA-N 1 2 403.527 1.730 20 0 HDADLO NC(=O)CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CCOc2ccccc21 ZINC001129044310 1075259840 /nfs/dbraw/zinc/25/98/40/1075259840.db2.gz ANXUURFMMPMBES-KPFFTGBYSA-N 1 2 417.506 1.094 20 0 HDADLO CCOC(=O)COc1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000470604858 1075264217 /nfs/dbraw/zinc/26/42/17/1075264217.db2.gz FVMWHFQJSILQGC-UHFFFAOYSA-N 1 2 417.466 1.801 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000429375244 1075265547 /nfs/dbraw/zinc/26/55/47/1075265547.db2.gz BFLAFZAZJXGPHL-UHFFFAOYSA-N 1 2 421.519 1.357 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000429375244 1075265549 /nfs/dbraw/zinc/26/55/49/1075265549.db2.gz BFLAFZAZJXGPHL-UHFFFAOYSA-N 1 2 421.519 1.357 20 0 HDADLO O=S(=O)(NCC1CC1)c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000461455105 1075278459 /nfs/dbraw/zinc/27/84/59/1075278459.db2.gz XCHIRFJYOUZIDH-IBGZPJMESA-N 1 2 416.547 2.083 20 0 HDADLO O=S(=O)(NCC1CC1)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000461455105 1075278463 /nfs/dbraw/zinc/27/84/63/1075278463.db2.gz XCHIRFJYOUZIDH-IBGZPJMESA-N 1 2 416.547 2.083 20 0 HDADLO CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129122761 1075290713 /nfs/dbraw/zinc/29/07/13/1075290713.db2.gz QXPBHWFOWUBXLA-QTMHVTGLSA-N 1 2 402.543 1.313 20 0 HDADLO CC(C)N(C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129122761 1075290716 /nfs/dbraw/zinc/29/07/16/1075290716.db2.gz QXPBHWFOWUBXLA-QTMHVTGLSA-N 1 2 402.543 1.313 20 0 HDADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1OCC(=O)NC(C)C ZINC000044904479 1075291586 /nfs/dbraw/zinc/29/15/86/1075291586.db2.gz HWZLMWUQYKMMSK-UHFFFAOYSA-N 1 2 418.519 2.295 20 0 HDADLO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1OCC(=O)NC(C)C ZINC000044904479 1075291588 /nfs/dbraw/zinc/29/15/88/1075291588.db2.gz HWZLMWUQYKMMSK-UHFFFAOYSA-N 1 2 418.519 2.295 20 0 HDADLO Cn1c(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nc2cc(Cl)ccc21 ZINC000675925069 1075292910 /nfs/dbraw/zinc/29/29/10/1075292910.db2.gz JKAOEQOJOJDSCQ-OAHLLOKOSA-N 1 2 419.913 1.166 20 0 HDADLO OCCNc1nc(N2CCN(c3ncnc4sccc43)CC2)[nH+]c2ccccc21 ZINC000642325873 1075301743 /nfs/dbraw/zinc/30/17/43/1075301743.db2.gz GNYRLGAXYOQAIT-UHFFFAOYSA-N 1 2 407.503 2.365 20 0 HDADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000675941960 1075302813 /nfs/dbraw/zinc/30/28/13/1075302813.db2.gz ZTTYPVKXBQODJZ-RTBURBONSA-N 1 2 423.579 1.636 20 0 HDADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000675941960 1075302814 /nfs/dbraw/zinc/30/28/14/1075302814.db2.gz ZTTYPVKXBQODJZ-RTBURBONSA-N 1 2 423.579 1.636 20 0 HDADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000731334950 1075307738 /nfs/dbraw/zinc/30/77/38/1075307738.db2.gz CUTOIZUQZBRFJZ-UHFFFAOYSA-N 1 2 412.899 1.525 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1sccc1S(=O)(=O)C(F)F ZINC000731335385 1075308225 /nfs/dbraw/zinc/30/82/25/1075308225.db2.gz HEIOIWBVEWRISI-UHFFFAOYSA-N 1 2 420.463 1.525 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000731337224 1075308773 /nfs/dbraw/zinc/30/87/73/1075308773.db2.gz XZFGHZUXLPIXAF-UHFFFAOYSA-N 1 2 414.434 1.464 20 0 HDADLO CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000731353713 1075317115 /nfs/dbraw/zinc/31/71/15/1075317115.db2.gz YRFJTHGHVFXODB-QPJJXVBHSA-N 1 2 419.507 1.239 20 0 HDADLO CCN(C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1)S(C)(=O)=O ZINC000731361541 1075320987 /nfs/dbraw/zinc/32/09/87/1075320987.db2.gz MVSCMWWQNDDPGF-UHFFFAOYSA-N 1 2 405.524 1.828 20 0 HDADLO CCOCCCNC(=O)C1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000531388049 1075341185 /nfs/dbraw/zinc/34/11/85/1075341185.db2.gz BRMGINAZXQADJV-UHFFFAOYSA-N 1 2 401.511 1.793 20 0 HDADLO Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000605429711 1075342097 /nfs/dbraw/zinc/34/20/97/1075342097.db2.gz NOECVTZXEAHVEI-UHFFFAOYSA-N 1 2 414.510 1.935 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCN(c3nccn(C)c3=O)CC2)cc1F ZINC000466711138 1075343546 /nfs/dbraw/zinc/34/35/46/1075343546.db2.gz RGXDUNDSBBCLBI-HNNXBMFYSA-N 1 2 417.485 1.097 20 0 HDADLO COc1ccc(OCC[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001035451131 1075387417 /nfs/dbraw/zinc/38/74/17/1075387417.db2.gz BXLMQXQKWBBQDN-ZJKGHYPUSA-N 1 2 402.491 1.314 20 0 HDADLO COc1ccc(OCC[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001035451131 1075387425 /nfs/dbraw/zinc/38/74/25/1075387425.db2.gz BXLMQXQKWBBQDN-ZJKGHYPUSA-N 1 2 402.491 1.314 20 0 HDADLO COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438304266 1075391107 /nfs/dbraw/zinc/39/11/07/1075391107.db2.gz LKKXPZJEIPLYFM-UHFFFAOYSA-N 1 2 407.902 2.541 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000804092374 1075391477 /nfs/dbraw/zinc/39/14/77/1075391477.db2.gz JQZVZZDHCMTNAC-RRFJBIMHSA-N 1 2 405.499 1.266 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000426933040 1075397214 /nfs/dbraw/zinc/39/72/14/1075397214.db2.gz JQZYCLHBEORUBY-VQIMIIECSA-N 1 2 422.489 2.185 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000426933038 1075397619 /nfs/dbraw/zinc/39/76/19/1075397619.db2.gz JQZYCLHBEORUBY-LPHOPBHVSA-N 1 2 422.489 2.185 20 0 HDADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CC1 ZINC000543659385 1075398876 /nfs/dbraw/zinc/39/88/76/1075398876.db2.gz YQNHXLJHGPMVJP-UHFFFAOYSA-N 1 2 422.942 1.908 20 0 HDADLO Cc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000543662075 1075412502 /nfs/dbraw/zinc/41/25/02/1075412502.db2.gz JYEXAGIIQRVHSJ-CABCVRRESA-N 1 2 410.540 1.666 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3Cl)nn2)CC1 ZINC000731648410 1075426306 /nfs/dbraw/zinc/42/63/06/1075426306.db2.gz DFAFABFQRPAATR-UHFFFAOYSA-N 1 2 411.915 1.160 20 0 HDADLO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648456 1075426402 /nfs/dbraw/zinc/42/64/02/1075426402.db2.gz GAMAODXGPUVWIR-UHFFFAOYSA-N 1 2 412.600 1.714 20 0 HDADLO COc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1OC(F)F ZINC000731649110 1075428969 /nfs/dbraw/zinc/42/89/69/1075428969.db2.gz ZCHDUOIEBBBKJY-UHFFFAOYSA-N 1 2 406.451 1.535 20 0 HDADLO CCc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2=O)cc1 ZINC000731648857 1075429525 /nfs/dbraw/zinc/42/95/25/1075429525.db2.gz KTTVIEJLVUJSDS-KRWDZBQOSA-N 1 2 421.563 1.227 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000731648610 1075430321 /nfs/dbraw/zinc/43/03/21/1075430321.db2.gz PBUDJOSRWKBZRT-LJQANCHMSA-N 1 2 421.563 1.307 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCNC(=O)NC2CCCCC2)CC1 ZINC000731648622 1075430327 /nfs/dbraw/zinc/43/03/27/1075430327.db2.gz PLPIFXBSEXWIJZ-UHFFFAOYSA-N 1 2 416.588 1.024 20 0 HDADLO CCOc1cn(-c2ccccc2)nc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731649520 1075430935 /nfs/dbraw/zinc/43/09/35/1075430935.db2.gz SOWWHMUAANMUAX-UHFFFAOYSA-N 1 2 420.535 1.510 20 0 HDADLO Cc1cc(C)cc(N2CC[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2=O)c1 ZINC000731650190 1075431852 /nfs/dbraw/zinc/43/18/52/1075431852.db2.gz ISOFVYIOSZUGKQ-LJQANCHMSA-N 1 2 421.563 1.282 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000731650105 1075432315 /nfs/dbraw/zinc/43/23/15/1075432315.db2.gz BGEUVZZDQSNTFW-LJQANCHMSA-N 1 2 410.536 1.483 20 0 HDADLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731651213 1075433597 /nfs/dbraw/zinc/43/35/97/1075433597.db2.gz YUDOHXGFJOGBPD-KDOFPFPSSA-N 1 2 407.536 1.520 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CC1 ZINC000731651210 1075433630 /nfs/dbraw/zinc/43/36/30/1075433630.db2.gz YRQGKUQXSJKFNF-UHFFFAOYSA-N 1 2 407.536 1.129 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCOc2ccc(F)c(Cl)c2)CC1 ZINC000731651236 1075434010 /nfs/dbraw/zinc/43/40/10/1075434010.db2.gz ZTWYJRLMVXPVRB-UHFFFAOYSA-N 1 2 406.907 1.873 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2(c3cccc(F)c3)CCOCC2)CC1 ZINC000731650665 1075435279 /nfs/dbraw/zinc/43/52/79/1075435279.db2.gz LQMNJOXOARBEFR-UHFFFAOYSA-N 1 2 412.527 1.499 20 0 HDADLO Cc1ccccc1N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731686248 1075446594 /nfs/dbraw/zinc/44/65/94/1075446594.db2.gz QHMWVXVQEOPJCE-UHFFFAOYSA-N 1 2 408.568 1.336 20 0 HDADLO CN(C[C@H]1OCCc2ccccc21)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686169 1075447592 /nfs/dbraw/zinc/44/75/92/1075447592.db2.gz MCARHAKATVBFAW-LJQANCHMSA-N 1 2 409.552 1.451 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@]2(O)CCCc3ccccc32)CC1 ZINC000731685838 1075448478 /nfs/dbraw/zinc/44/84/78/1075448478.db2.gz CWWVTOOCTRSQEH-HXUWFJFHSA-N 1 2 409.552 1.019 20 0 HDADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@H]1C[N@H+](C)CCO1 ZINC000676260698 1075458188 /nfs/dbraw/zinc/45/81/88/1075458188.db2.gz MQDOLCHWVFQIKG-HUUCEWRRSA-N 1 2 415.581 1.618 20 0 HDADLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000676260698 1075458192 /nfs/dbraw/zinc/45/81/92/1075458192.db2.gz MQDOLCHWVFQIKG-HUUCEWRRSA-N 1 2 415.581 1.618 20 0 HDADLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000463957861 1075460060 /nfs/dbraw/zinc/46/00/60/1075460060.db2.gz HOIQMCFJCLWCFP-GOSISDBHSA-N 1 2 413.522 2.466 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(Br)s2)CC1 ZINC000731680787 1075464730 /nfs/dbraw/zinc/46/47/30/1075464730.db2.gz XDOUASGKFCXYAS-UHFFFAOYSA-N 1 2 424.386 1.819 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2csc(Br)c2)CC1 ZINC000731683156 1075466097 /nfs/dbraw/zinc/46/60/97/1075466097.db2.gz ZHAUFIMGOLQOJP-UHFFFAOYSA-N 1 2 424.386 1.819 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000676270204 1075473324 /nfs/dbraw/zinc/47/33/24/1075473324.db2.gz LKIHILWYKUDLFU-MRXNPFEDSA-N 1 2 424.505 1.726 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000676271329 1075474331 /nfs/dbraw/zinc/47/43/31/1075474331.db2.gz PPANXRIKHSNIKZ-CXAGYDPISA-N 1 2 413.482 1.276 20 0 HDADLO CC[C@H](C)n1nc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1C ZINC000549663095 1075493058 /nfs/dbraw/zinc/49/30/58/1075493058.db2.gz MQOXSMNKCDXNCA-INIZCTEOSA-N 1 2 412.538 2.487 20 0 HDADLO CCc1c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cnn1-c1ccc(F)cc1 ZINC000596042131 1075512584 /nfs/dbraw/zinc/51/25/84/1075512584.db2.gz YJSVBBLRIADSPN-UHFFFAOYSA-N 1 2 412.469 2.355 20 0 HDADLO COc1ccc(-n2ccnc2SCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000676339702 1075513591 /nfs/dbraw/zinc/51/35/91/1075513591.db2.gz BRVKAQPSYZROGR-KRWDZBQOSA-N 1 2 402.520 1.906 20 0 HDADLO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(OC)c1 ZINC000676340819 1075514025 /nfs/dbraw/zinc/51/40/25/1075514025.db2.gz KZNWTEOLQOVQKW-QFBILLFUSA-N 1 2 417.506 1.242 20 0 HDADLO O=C([C@@H]1CCCN(c2ncnc3sccc32)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340659 1075514402 /nfs/dbraw/zinc/51/44/02/1075514402.db2.gz CEQRPPSCTFSPFL-HZPDHXFCSA-N 1 2 401.536 1.841 20 0 HDADLO CC(C)[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1nc(C2CC2)no1 ZINC000731759998 1075514529 /nfs/dbraw/zinc/51/45/29/1075514529.db2.gz ZCVNYAPAYJNHLV-OAHLLOKOSA-N 1 2 413.544 1.452 20 0 HDADLO CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676342280 1075516420 /nfs/dbraw/zinc/51/64/20/1075516420.db2.gz ZSAIWLGBTNBLQL-KSZLIROESA-N 1 2 424.586 1.145 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000676332508 1075522646 /nfs/dbraw/zinc/52/26/46/1075522646.db2.gz NPDUMDJGPBZTIE-ZWNOBZJWSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000676332508 1075522652 /nfs/dbraw/zinc/52/26/52/1075522652.db2.gz NPDUMDJGPBZTIE-ZWNOBZJWSA-N 1 2 401.364 1.874 20 0 HDADLO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000731781748 1075523494 /nfs/dbraw/zinc/52/34/94/1075523494.db2.gz ZRDBVYFAUHNKQG-UHFFFAOYSA-N 1 2 409.533 1.643 20 0 HDADLO Cn1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1C(N)=O ZINC000731784396 1075524235 /nfs/dbraw/zinc/52/42/35/1075524235.db2.gz XPKJUJFPQFVKIY-UHFFFAOYSA-N 1 2 411.915 1.330 20 0 HDADLO Cc1sc2nnn(CC(=O)N3CC[NH+](Cc4cccs4)CC3)c(=O)c2c1C ZINC000676351520 1075528644 /nfs/dbraw/zinc/52/86/44/1075528644.db2.gz KFUIHBDBKMNBQO-UHFFFAOYSA-N 1 2 403.533 1.876 20 0 HDADLO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000676386759 1075534352 /nfs/dbraw/zinc/53/43/52/1075534352.db2.gz BTDVQUPGSUUGOM-HRCADAONSA-N 1 2 417.506 1.845 20 0 HDADLO CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676387641 1075534804 /nfs/dbraw/zinc/53/48/04/1075534804.db2.gz GFPUYZUCRHHQSO-RBUKOAKNSA-N 1 2 406.502 1.583 20 0 HDADLO O=C([C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676388624 1075535041 /nfs/dbraw/zinc/53/50/41/1075535041.db2.gz PYJCKZPLKHSLTE-BBTUJRGHSA-N 1 2 419.522 1.649 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CC[S@](=O)C[C@H]3c3cnn(C)c3)c2)cc[nH+]1 ZINC000467606786 1075537750 /nfs/dbraw/zinc/53/77/50/1075537750.db2.gz WEQFDQUQBWIZBR-WWOZWPLTSA-N 1 2 424.530 2.076 20 0 HDADLO C[C@@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676401886 1075544134 /nfs/dbraw/zinc/54/41/34/1075544134.db2.gz GOIBELCBELINNU-DOMZBBRYSA-N 1 2 403.870 1.831 20 0 HDADLO C[C@@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676401886 1075544141 /nfs/dbraw/zinc/54/41/41/1075544141.db2.gz GOIBELCBELINNU-DOMZBBRYSA-N 1 2 403.870 1.831 20 0 HDADLO CCc1nnc2ccc(N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)nn21 ZINC000495236429 1075549358 /nfs/dbraw/zinc/54/93/58/1075549358.db2.gz GBCOYGIBUKVYIU-OAHLLOKOSA-N 1 2 409.498 1.394 20 0 HDADLO CCc1nnc2ccc(N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)nn21 ZINC000495236429 1075549360 /nfs/dbraw/zinc/54/93/60/1075549360.db2.gz GBCOYGIBUKVYIU-OAHLLOKOSA-N 1 2 409.498 1.394 20 0 HDADLO O=S(=O)([C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1)N1CCOCC1 ZINC000676436966 1075553136 /nfs/dbraw/zinc/55/31/36/1075553136.db2.gz SCJFZRJYOHSBAX-HNNXBMFYSA-N 1 2 416.927 1.738 20 0 HDADLO O=S(=O)([C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1)N1CCOCC1 ZINC000676436966 1075553142 /nfs/dbraw/zinc/55/31/42/1075553142.db2.gz SCJFZRJYOHSBAX-HNNXBMFYSA-N 1 2 416.927 1.738 20 0 HDADLO C[C@@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)NS(=O)(=O)c1cccnc1Cl ZINC000731891197 1075557934 /nfs/dbraw/zinc/55/79/34/1075557934.db2.gz KEHRZVKRQUKWPX-ZDUSSCGKSA-N 1 2 418.947 1.019 20 0 HDADLO O=C(CN1CCC[C@@H](n2cc[nH+]c2)C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000676478393 1075560151 /nfs/dbraw/zinc/56/01/51/1075560151.db2.gz NIKXOOANVKBLPW-RTBURBONSA-N 1 2 408.568 1.868 20 0 HDADLO Cc1cc(S(=O)(=O)NCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000676472584 1075563798 /nfs/dbraw/zinc/56/37/98/1075563798.db2.gz FWJBJVPQWNSSEV-HNNXBMFYSA-N 1 2 411.553 1.886 20 0 HDADLO Cc1nc2ccccn2c1CNc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000676493842 1075564912 /nfs/dbraw/zinc/56/49/12/1075564912.db2.gz OIZNBRSUFOYVNE-UHFFFAOYSA-N 1 2 400.508 1.731 20 0 HDADLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000731907542 1075565429 /nfs/dbraw/zinc/56/54/29/1075565429.db2.gz JEZDVUHKBUULSZ-LJQANCHMSA-N 1 2 419.503 1.899 20 0 HDADLO CCOC(=O)N1CCN(C(=O)COC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000731908669 1075566264 /nfs/dbraw/zinc/56/62/64/1075566264.db2.gz PEQUEFFLRMYGKB-LJQANCHMSA-N 1 2 405.495 1.913 20 0 HDADLO COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@H](CO)C3)[nH+]cn1)C[C@H]2O ZINC000731919805 1075571672 /nfs/dbraw/zinc/57/16/72/1075571672.db2.gz AAFWSJLKYFRLHG-GOEBONIOSA-N 1 2 400.479 1.756 20 0 HDADLO COc1ccc(OC)c2c1CN(c1cc(N3CCC[C@H](CO)C3)nc[nH+]1)C[C@H]2O ZINC000731919805 1075571676 /nfs/dbraw/zinc/57/16/76/1075571676.db2.gz AAFWSJLKYFRLHG-GOEBONIOSA-N 1 2 400.479 1.756 20 0 HDADLO CS(=O)(=O)NCCNC(=S)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731942406 1075572218 /nfs/dbraw/zinc/57/22/18/1075572218.db2.gz CUEMFZPPZQDPIX-AWEZNQCLSA-N 1 2 422.979 1.457 20 0 HDADLO CS(=O)(=O)NCCNC(=S)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731942406 1075572223 /nfs/dbraw/zinc/57/22/23/1075572223.db2.gz CUEMFZPPZQDPIX-AWEZNQCLSA-N 1 2 422.979 1.457 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(N[C@H]3CCN(c4ccccc4)C3)c[nH+]2)CC1 ZINC000676496370 1075573267 /nfs/dbraw/zinc/57/32/67/1075573267.db2.gz YECWENWQKMPYDX-SFHVURJKSA-N 1 2 401.536 1.854 20 0 HDADLO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)CCO2 ZINC000676514977 1075575356 /nfs/dbraw/zinc/57/53/56/1075575356.db2.gz WYQYJXGRFDBUSB-IBGZPJMESA-N 1 2 419.522 1.594 20 0 HDADLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ncc(Br)cn1 ZINC000432961988 1075589946 /nfs/dbraw/zinc/58/99/46/1075589946.db2.gz USLHFKOKHFHISX-GFCCVEGCSA-N 1 2 424.303 1.651 20 0 HDADLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc([S@@](C)=O)cc1 ZINC000534486269 1075590005 /nfs/dbraw/zinc/59/00/05/1075590005.db2.gz MRFQQRKLTAEBCQ-JMGYQRAPSA-N 1 2 405.524 1.835 20 0 HDADLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(-n2cccn2)c1 ZINC000467690220 1075590049 /nfs/dbraw/zinc/59/00/49/1075590049.db2.gz CGMLOLRWTLQGJN-QGZVFWFLSA-N 1 2 409.494 2.284 20 0 HDADLO Clc1cccc(N2CCOCC2)c1CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000550174717 1075590644 /nfs/dbraw/zinc/59/06/44/1075590644.db2.gz UDFFKKWLRWSBEQ-UHFFFAOYSA-N 1 2 405.930 2.317 20 0 HDADLO CC[NH+](CC)Cc1csc(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000732061296 1075598677 /nfs/dbraw/zinc/59/86/77/1075598677.db2.gz CSLTUCBEVIGLPX-KRWDZBQOSA-N 1 2 423.583 1.637 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000732052342 1075608411 /nfs/dbraw/zinc/60/84/11/1075608411.db2.gz JQTVCMUKDPWRCP-UHFFFAOYSA-N 1 2 403.401 1.936 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(SC)c1 ZINC000509426029 1075613406 /nfs/dbraw/zinc/61/34/06/1075613406.db2.gz PBNRUNAPPLPKJG-HNNXBMFYSA-N 1 2 420.622 1.928 20 0 HDADLO CCO[C@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCC[C@H](OCC)C3)[nH+]2)C1 ZINC000676625927 1075624018 /nfs/dbraw/zinc/62/40/18/1075624018.db2.gz ANMYYZFIENWNCJ-ROUUACIJSA-N 1 2 420.558 1.719 20 0 HDADLO CCO[C@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCC[C@H](OCC)C3)n2)C1 ZINC000676625927 1075624019 /nfs/dbraw/zinc/62/40/19/1075624019.db2.gz ANMYYZFIENWNCJ-ROUUACIJSA-N 1 2 420.558 1.719 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@@H](C)S[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000571901373 1075627135 /nfs/dbraw/zinc/62/71/35/1075627135.db2.gz GQKSUKJJYNIBSJ-LSDHHAIUSA-N 1 2 415.567 1.966 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)CC1 ZINC000732121155 1075629690 /nfs/dbraw/zinc/62/96/90/1075629690.db2.gz DPDZXQGUKKNLAB-UHFFFAOYSA-N 1 2 401.504 1.307 20 0 HDADLO CC(C)c1cc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)n(-c2ncccn2)n1 ZINC000467569597 1075629986 /nfs/dbraw/zinc/62/99/86/1075629986.db2.gz RIRFHLSOWWRORF-INIZCTEOSA-N 1 2 421.461 1.799 20 0 HDADLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676662148 1075643562 /nfs/dbraw/zinc/64/35/62/1075643562.db2.gz DLBVOOFPBJNLAB-UKRRQHHQSA-N 1 2 401.467 1.377 20 0 HDADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCN(C)S(C)(=O)=O)c(C)c1 ZINC000676723633 1075659617 /nfs/dbraw/zinc/65/96/17/1075659617.db2.gz YDGMZVNIKOFGED-GOSISDBHSA-N 1 2 407.540 1.822 20 0 HDADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC(=O)NC1CCCCC1 ZINC000732230940 1075684282 /nfs/dbraw/zinc/68/42/82/1075684282.db2.gz XHYOFRKBKZXOJM-AWEZNQCLSA-N 1 2 402.948 1.743 20 0 HDADLO COCCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)n1 ZINC001084991749 1075687630 /nfs/dbraw/zinc/68/76/30/1075687630.db2.gz DAZIIVVZYQOQPQ-ZPFYTHJMSA-N 1 2 404.511 1.496 20 0 HDADLO COCCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)n1 ZINC001084991749 1075687634 /nfs/dbraw/zinc/68/76/34/1075687634.db2.gz DAZIIVVZYQOQPQ-ZPFYTHJMSA-N 1 2 404.511 1.496 20 0 HDADLO CCCCNc1cc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)nc(N)[nH+]1 ZINC000573988708 1075693770 /nfs/dbraw/zinc/69/37/70/1075693770.db2.gz IUQNTXCYTQUYOR-UHFFFAOYSA-N 1 2 409.538 1.982 20 0 HDADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000509437817 1075698064 /nfs/dbraw/zinc/69/80/64/1075698064.db2.gz QIPONZIQTZFKOT-UHFFFAOYSA-N 1 2 409.469 1.209 20 0 HDADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000509437817 1075698067 /nfs/dbraw/zinc/69/80/67/1075698067.db2.gz QIPONZIQTZFKOT-UHFFFAOYSA-N 1 2 409.469 1.209 20 0 HDADLO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc(OC)c1OC ZINC000429713087 1075698352 /nfs/dbraw/zinc/69/83/52/1075698352.db2.gz UYWKONDPLKEAHS-CYBMUJFWSA-N 1 2 401.467 1.903 20 0 HDADLO COc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc(OC)c1OC ZINC000429713087 1075698355 /nfs/dbraw/zinc/69/83/55/1075698355.db2.gz UYWKONDPLKEAHS-CYBMUJFWSA-N 1 2 401.467 1.903 20 0 HDADLO COc1cc2[nH+]c(N3CCN(CC(=O)Nc4ccccc4)CC3)nc(N)c2cc1OC ZINC000521060761 1075706221 /nfs/dbraw/zinc/70/62/21/1075706221.db2.gz JEHOXGBGEXNZQR-UHFFFAOYSA-N 1 2 422.489 1.990 20 0 HDADLO C[C@H](C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1)[NH+]1CCSCC1 ZINC000442853903 1075710062 /nfs/dbraw/zinc/71/00/62/1075710062.db2.gz NHIYOVWLAVKAHP-CYBMUJFWSA-N 1 2 417.539 1.475 20 0 HDADLO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H]3CCCS(=O)(=O)C3)CC[N@@H+]2C2CC2)c1 ZINC000543686105 1075714162 /nfs/dbraw/zinc/71/41/62/1075714162.db2.gz VYIFNOWTYHMFSG-AYOQOUSVSA-N 1 2 407.536 1.849 20 0 HDADLO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H]3CCCS(=O)(=O)C3)CC[N@H+]2C2CC2)c1 ZINC000543686105 1075714164 /nfs/dbraw/zinc/71/41/64/1075714164.db2.gz VYIFNOWTYHMFSG-AYOQOUSVSA-N 1 2 407.536 1.849 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Nc3ccon3)cc2)CC1 ZINC000542704048 1075720294 /nfs/dbraw/zinc/72/02/94/1075720294.db2.gz OCWXFCQQOFQFGG-UHFFFAOYSA-N 1 2 401.467 1.582 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(CN2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000471180309 1075721375 /nfs/dbraw/zinc/72/13/75/1075721375.db2.gz CBMWMIWDTASVJY-UHFFFAOYSA-N 1 2 405.506 1.951 20 0 HDADLO Nc1nc(CN2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)nc2ccccc12 ZINC000430253022 1075728097 /nfs/dbraw/zinc/72/80/97/1075728097.db2.gz HPIXPTCTUQTDLE-HNNXBMFYSA-N 1 2 406.494 1.251 20 0 HDADLO Cn1nc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C1CC1 ZINC000582033045 1075730106 /nfs/dbraw/zinc/73/01/06/1075730106.db2.gz NJDNTTJMJXVUAF-MAUKXSAKSA-N 1 2 403.433 2.076 20 0 HDADLO Cn1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C1CC1 ZINC000582033045 1075730111 /nfs/dbraw/zinc/73/01/11/1075730111.db2.gz NJDNTTJMJXVUAF-MAUKXSAKSA-N 1 2 403.433 2.076 20 0 HDADLO C[C@@H](NC(=O)COC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(=O)N(C)C ZINC000732397219 1075732525 /nfs/dbraw/zinc/73/25/25/1075732525.db2.gz MVWWHJCHYVDPHM-IAGOWNOFSA-N 1 2 403.523 1.466 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCCC[C@@H]1CN1CCCC1=O ZINC000732453642 1075742551 /nfs/dbraw/zinc/74/25/51/1075742551.db2.gz ZQRFVKYGHCLVSD-YLJYHZDGSA-N 1 2 410.584 1.381 20 0 HDADLO CN(Cc1cccc(C(N)=O)c1)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732476295 1075756695 /nfs/dbraw/zinc/75/66/95/1075756695.db2.gz CXTKWWUHCRTVMU-NRFANRHFSA-N 1 2 410.518 1.870 20 0 HDADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCNC(=O)c3cccnc3)CC2)c1 ZINC000509264278 1075761553 /nfs/dbraw/zinc/76/15/53/1075761553.db2.gz PWUSNXZZBILLDZ-QGZVFWFLSA-N 1 2 411.506 1.908 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000477622414 1075762327 /nfs/dbraw/zinc/76/23/27/1075762327.db2.gz MQPCDIQTRWWWSI-UHFFFAOYSA-N 1 2 418.505 1.860 20 0 HDADLO Nc1nc(C2CCCC2)ncc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000479835538 1075763671 /nfs/dbraw/zinc/76/36/71/1075763671.db2.gz BFSJLQWPQBJFRK-UHFFFAOYSA-N 1 2 400.527 1.487 20 0 HDADLO Nc1nc(C2CCCC2)ncc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000479835538 1075763677 /nfs/dbraw/zinc/76/36/77/1075763677.db2.gz BFSJLQWPQBJFRK-UHFFFAOYSA-N 1 2 400.527 1.487 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000547327195 1075767011 /nfs/dbraw/zinc/76/70/11/1075767011.db2.gz CYRXEVISDQUJLT-HZPDHXFCSA-N 1 2 403.342 1.947 20 0 HDADLO CNC(=O)COc1cccc(CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000553488630 1075804223 /nfs/dbraw/zinc/80/42/23/1075804223.db2.gz DEDQRMZONZKXMQ-UHFFFAOYSA-N 1 2 419.485 2.452 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(N(C)C(C)=O)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000143470182 1075812259 /nfs/dbraw/zinc/81/22/59/1075812259.db2.gz HGJQKWYKQCFZRO-GOSISDBHSA-N 1 2 404.467 1.393 20 0 HDADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)c1 ZINC000509278671 1075812804 /nfs/dbraw/zinc/81/28/04/1075812804.db2.gz IOXRMRVRCYDSCF-KRWDZBQOSA-N 1 2 404.511 1.332 20 0 HDADLO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1Cl ZINC000611076009 1075828488 /nfs/dbraw/zinc/82/84/88/1075828488.db2.gz JAOYBHOWYVIEKH-CYBMUJFWSA-N 1 2 402.838 1.855 20 0 HDADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)[NH+]1CCOCC1 ZINC000434730816 1075831791 /nfs/dbraw/zinc/83/17/91/1075831791.db2.gz UJGTUINHBFGGAP-MRXNPFEDSA-N 1 2 406.527 2.308 20 0 HDADLO O[C@@H]1C[C@H](O)C[N@@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000611135755 1075850360 /nfs/dbraw/zinc/85/03/60/1075850360.db2.gz TXMUBOGZUFGJKU-OKILXGFUSA-N 1 2 400.216 1.874 20 0 HDADLO O[C@@H]1C[C@H](O)C[N@H+](Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000611135755 1075850366 /nfs/dbraw/zinc/85/03/66/1075850366.db2.gz TXMUBOGZUFGJKU-OKILXGFUSA-N 1 2 400.216 1.874 20 0 HDADLO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000611138203 1075857977 /nfs/dbraw/zinc/85/79/77/1075857977.db2.gz JFLVGWMFINZDOF-QFIPXVFZSA-N 1 2 408.458 1.952 20 0 HDADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810020 1075871772 /nfs/dbraw/zinc/87/17/72/1075871772.db2.gz IWENSUBGIVJTTP-GXFFZTMASA-N 1 2 404.364 1.957 20 0 HDADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810020 1075871776 /nfs/dbraw/zinc/87/17/76/1075871776.db2.gz IWENSUBGIVJTTP-GXFFZTMASA-N 1 2 404.364 1.957 20 0 HDADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732810665 1075872337 /nfs/dbraw/zinc/87/23/37/1075872337.db2.gz NVLMDBJIQJBXFX-GDBMZVCRSA-N 1 2 401.429 1.974 20 0 HDADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732810665 1075872339 /nfs/dbraw/zinc/87/23/39/1075872339.db2.gz NVLMDBJIQJBXFX-GDBMZVCRSA-N 1 2 401.429 1.974 20 0 HDADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732813065 1075874678 /nfs/dbraw/zinc/87/46/78/1075874678.db2.gz UBXPAYKBLGGISV-GDBMZVCRSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732813065 1075874683 /nfs/dbraw/zinc/87/46/83/1075874683.db2.gz UBXPAYKBLGGISV-GDBMZVCRSA-N 1 2 408.524 1.138 20 0 HDADLO COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1OC ZINC000611307670 1075896917 /nfs/dbraw/zinc/89/69/17/1075896917.db2.gz IFSBKVYJVBBOQF-CYBMUJFWSA-N 1 2 409.464 1.713 20 0 HDADLO FC(F)(F)CNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732911718 1075909185 /nfs/dbraw/zinc/90/91/85/1075909185.db2.gz CTNNPERCXDDZTP-LBPRGKRZSA-N 1 2 404.462 1.308 20 0 HDADLO FC(F)(F)CNC(=S)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732911718 1075909188 /nfs/dbraw/zinc/90/91/88/1075909188.db2.gz CTNNPERCXDDZTP-LBPRGKRZSA-N 1 2 404.462 1.308 20 0 HDADLO CSCCCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732913235 1075910438 /nfs/dbraw/zinc/91/04/38/1075910438.db2.gz QXLGRBWVYAVFQW-OAHLLOKOSA-N 1 2 410.613 1.499 20 0 HDADLO CSCCCNC(=S)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732913235 1075910446 /nfs/dbraw/zinc/91/04/46/1075910446.db2.gz QXLGRBWVYAVFQW-OAHLLOKOSA-N 1 2 410.613 1.499 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000732915436 1075911483 /nfs/dbraw/zinc/91/14/83/1075911483.db2.gz HZGWBSCIKWQIGL-INIZCTEOSA-N 1 2 424.505 1.301 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cc2c([nH]c1=O)CCC2 ZINC000732915436 1075911485 /nfs/dbraw/zinc/91/14/85/1075911485.db2.gz HZGWBSCIKWQIGL-INIZCTEOSA-N 1 2 424.505 1.301 20 0 HDADLO CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732916116 1075913349 /nfs/dbraw/zinc/91/33/49/1075913349.db2.gz PFMBEEYMOZTAKZ-OAHLLOKOSA-N 1 2 400.483 1.823 20 0 HDADLO CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732916116 1075913353 /nfs/dbraw/zinc/91/33/53/1075913353.db2.gz PFMBEEYMOZTAKZ-OAHLLOKOSA-N 1 2 400.483 1.823 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000611375637 1075923760 /nfs/dbraw/zinc/92/37/60/1075923760.db2.gz ZKEFPVQCAKJZSK-OAHLLOKOSA-N 1 2 407.492 1.741 20 0 HDADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000611375637 1075923764 /nfs/dbraw/zinc/92/37/64/1075923764.db2.gz ZKEFPVQCAKJZSK-OAHLLOKOSA-N 1 2 407.492 1.741 20 0 HDADLO Cn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1=S ZINC000732979904 1075935541 /nfs/dbraw/zinc/93/55/41/1075935541.db2.gz SLGJHOVSEJRJRQ-HNNXBMFYSA-N 1 2 410.588 1.619 20 0 HDADLO Cn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1=S ZINC000732979904 1075935543 /nfs/dbraw/zinc/93/55/43/1075935543.db2.gz SLGJHOVSEJRJRQ-HNNXBMFYSA-N 1 2 410.588 1.619 20 0 HDADLO COc1c(C)c[nH+]c(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1C ZINC000732994092 1075943016 /nfs/dbraw/zinc/94/30/16/1075943016.db2.gz AABVPTISMQLEAT-UHFFFAOYSA-N 1 2 420.482 1.771 20 0 HDADLO COC(=O)C1(c2ccc(S(=O)(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000611540807 1075955134 /nfs/dbraw/zinc/95/51/34/1075955134.db2.gz ZKIQEHIHYMPVRD-MSOLQXFVSA-N 1 2 408.520 1.111 20 0 HDADLO COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611540765 1075956881 /nfs/dbraw/zinc/95/68/81/1075956881.db2.gz WQQDTXJIRGEVNH-HUUCEWRRSA-N 1 2 402.900 1.346 20 0 HDADLO COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611540713 1075956951 /nfs/dbraw/zinc/95/69/51/1075956951.db2.gz PDBWJSHMDIZKQJ-IAGOWNOFSA-N 1 2 419.503 1.241 20 0 HDADLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC2(CC[NH+](Cc3nncs3)CC2)[C@H]2COC[C@H]21 ZINC001079263227 1075968379 /nfs/dbraw/zinc/96/83/79/1075968379.db2.gz ONSQLTQCQCJJOM-UUAJXVIYSA-N 1 2 404.536 1.545 20 0 HDADLO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000493893632 1075993154 /nfs/dbraw/zinc/99/31/54/1075993154.db2.gz HZIPWGQQDCLYAQ-LLVKDONJSA-N 1 2 421.431 1.791 20 0 HDADLO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)n1 ZINC000493893632 1075993158 /nfs/dbraw/zinc/99/31/58/1075993158.db2.gz HZIPWGQQDCLYAQ-LLVKDONJSA-N 1 2 421.431 1.791 20 0 HDADLO O=C(NCCCCn1cc[nH+]c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000733166544 1075998454 /nfs/dbraw/zinc/99/84/54/1075998454.db2.gz OVMVPDUCDDBOQK-UHFFFAOYSA-N 1 2 410.471 1.253 20 0 HDADLO COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000733194376 1076002008 /nfs/dbraw/zinc/00/20/08/1076002008.db2.gz NFGIAVIATKIBAU-LJQANCHMSA-N 1 2 418.538 1.325 20 0 HDADLO CC(C)(CNC(=O)CN1CCC[C@H]1C(=O)OCc1ccccc1)[NH+]1CCOCC1 ZINC000733199294 1076004689 /nfs/dbraw/zinc/00/46/89/1076004689.db2.gz UNBXDEKYTRUNGL-IBGZPJMESA-N 1 2 403.523 1.421 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)C2)no1 ZINC000514230167 1076018931 /nfs/dbraw/zinc/01/89/31/1076018931.db2.gz WQMVHQURXBRSKM-CVEARBPZSA-N 1 2 415.498 1.011 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)no1 ZINC000514230167 1076018937 /nfs/dbraw/zinc/01/89/37/1076018937.db2.gz WQMVHQURXBRSKM-CVEARBPZSA-N 1 2 415.498 1.011 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O ZINC000733298355 1076032415 /nfs/dbraw/zinc/03/24/15/1076032415.db2.gz UZZOQJQAOYZXLZ-VBKZILBWSA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O ZINC000733298355 1076032423 /nfs/dbraw/zinc/03/24/23/1076032423.db2.gz UZZOQJQAOYZXLZ-VBKZILBWSA-N 1 2 417.441 1.970 20 0 HDADLO CS(=O)(=O)NCCNC(=S)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000727074247 1076046239 /nfs/dbraw/zinc/04/62/39/1076046239.db2.gz DCCUMEILJIJBLS-AWEZNQCLSA-N 1 2 422.979 1.629 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000727106312 1076052707 /nfs/dbraw/zinc/05/27/07/1076052707.db2.gz RNIRWDNOSRYMRJ-UHFFFAOYSA-N 1 2 410.478 1.244 20 0 HDADLO CC(C)(CNC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[NH+]1CCOCC1 ZINC000053531621 1076058544 /nfs/dbraw/zinc/05/85/44/1076058544.db2.gz DWDBYHQYEFJMFA-UHFFFAOYSA-N 1 2 418.538 1.396 20 0 HDADLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000727177914 1076070554 /nfs/dbraw/zinc/07/05/54/1076070554.db2.gz KABHNRVMLXMHJR-UHFFFAOYSA-N 1 2 421.501 1.992 20 0 HDADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000727177914 1076070562 /nfs/dbraw/zinc/07/05/62/1076070562.db2.gz KABHNRVMLXMHJR-UHFFFAOYSA-N 1 2 421.501 1.992 20 0 HDADLO CN(CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)C1=NS(=O)(=O)c2ccccc21 ZINC000727496833 1076138056 /nfs/dbraw/zinc/13/80/56/1076138056.db2.gz SCAFWJORGFCVBW-MRXNPFEDSA-N 1 2 403.508 1.495 20 0 HDADLO O=C(COC(=O)c1ccc2c(c1)NC(=O)CN2)N1CC[NH+](Cc2cccs2)CC1 ZINC000727528994 1076149060 /nfs/dbraw/zinc/14/90/60/1076149060.db2.gz UODACMXEONTDLY-UHFFFAOYSA-N 1 2 414.487 1.613 20 0 HDADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000727736199 1076214377 /nfs/dbraw/zinc/21/43/77/1076214377.db2.gz JGSDGZBNXATACP-VGCSBSMUSA-N 1 2 421.501 1.919 20 0 HDADLO CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2S1(=O)=O ZINC000727739517 1076215312 /nfs/dbraw/zinc/21/53/12/1076215312.db2.gz XIPCZCNZTJRGGL-CQSZACIVSA-N 1 2 402.476 1.982 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC(Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000727763237 1076218116 /nfs/dbraw/zinc/21/81/16/1076218116.db2.gz QKVZMDIJIGRXGS-OAQYLSRUSA-N 1 2 410.430 1.147 20 0 HDADLO NS(=O)(=O)c1ccc(OCCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000727756353 1076229880 /nfs/dbraw/zinc/22/98/80/1076229880.db2.gz XYTYNIDMOOGYOB-UHFFFAOYSA-N 1 2 419.503 1.574 20 0 HDADLO CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001299318878 1076247636 /nfs/dbraw/zinc/24/76/36/1076247636.db2.gz NWPORFKATPKIBY-MLHJIOFPSA-N 1 2 409.527 1.334 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000536069756 1076255237 /nfs/dbraw/zinc/25/52/37/1076255237.db2.gz WMIAQJRJNOOMQQ-HXUWFJFHSA-N 1 2 412.465 1.904 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000536069756 1076255240 /nfs/dbraw/zinc/25/52/40/1076255240.db2.gz WMIAQJRJNOOMQQ-HXUWFJFHSA-N 1 2 412.465 1.904 20 0 HDADLO CCC(C)(C)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065705372 1076256526 /nfs/dbraw/zinc/25/65/26/1076256526.db2.gz YEFMLSPIDYBZQK-SIFVSHMBSA-N 1 2 403.567 1.981 20 0 HDADLO CC(C)CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065708436 1076257158 /nfs/dbraw/zinc/25/71/58/1076257158.db2.gz BSINWTVSZLIWGB-NHHWGVFUSA-N 1 2 403.567 1.981 20 0 HDADLO CCCC1(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC3)C2)CC1 ZINC001065712837 1076257653 /nfs/dbraw/zinc/25/76/53/1076257653.db2.gz GIBYWIJJFIDVLQ-NADOGSGZSA-N 1 2 401.551 1.735 20 0 HDADLO CCOc1cc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1OC ZINC000734012135 1076290027 /nfs/dbraw/zinc/29/00/27/1076290027.db2.gz DVCJNBWMYSLXTF-UHFFFAOYSA-N 1 2 413.540 1.402 20 0 HDADLO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000728067347 1076315687 /nfs/dbraw/zinc/31/56/87/1076315687.db2.gz HCLVHCSKECTSSR-XCVDJSHCSA-N 1 2 422.595 1.401 20 0 HDADLO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000728067347 1076315689 /nfs/dbraw/zinc/31/56/89/1076315689.db2.gz HCLVHCSKECTSSR-XCVDJSHCSA-N 1 2 422.595 1.401 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](OC)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000728056387 1076323186 /nfs/dbraw/zinc/32/31/86/1076323186.db2.gz SNLNVQYJEOOXQF-VQIMIIECSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](OC)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000728056387 1076323191 /nfs/dbraw/zinc/32/31/91/1076323191.db2.gz SNLNVQYJEOOXQF-VQIMIIECSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](OC)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000728056387 1076323195 /nfs/dbraw/zinc/32/31/95/1076323195.db2.gz SNLNVQYJEOOXQF-VQIMIIECSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](OC)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000728056387 1076323199 /nfs/dbraw/zinc/32/31/99/1076323199.db2.gz SNLNVQYJEOOXQF-VQIMIIECSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000728055947 1076323239 /nfs/dbraw/zinc/32/32/39/1076323239.db2.gz SEZQSDQMIHDRJJ-GOSISDBHSA-N 1 2 418.538 1.502 20 0 HDADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000728055947 1076323245 /nfs/dbraw/zinc/32/32/45/1076323245.db2.gz SEZQSDQMIHDRJJ-GOSISDBHSA-N 1 2 418.538 1.502 20 0 HDADLO COCCn1nc(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)ccc1=O ZINC000024083296 1076344913 /nfs/dbraw/zinc/34/49/13/1076344913.db2.gz IZALVJMQVJIZKV-UHFFFAOYSA-N 1 2 400.479 1.165 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000024083031 1076344987 /nfs/dbraw/zinc/34/49/87/1076344987.db2.gz LFRPIUAJLCLWIW-UHFFFAOYSA-N 1 2 423.521 1.527 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000024219088 1076345321 /nfs/dbraw/zinc/34/53/21/1076345321.db2.gz UGSJJYJBDIWIFQ-OAQYLSRUSA-N 1 2 414.510 1.278 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@H+](Cc3cc(=O)n4ccsc4n3)C[C@H]21 ZINC001084531471 1076368552 /nfs/dbraw/zinc/36/85/52/1076368552.db2.gz MKRMXJLUTZYBQD-PPVJBERMSA-N 1 2 412.515 1.212 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CC[N@@H+](Cc3cc(=O)n4ccsc4n3)C[C@H]21 ZINC001084531471 1076368560 /nfs/dbraw/zinc/36/85/60/1076368560.db2.gz MKRMXJLUTZYBQD-PPVJBERMSA-N 1 2 412.515 1.212 20 0 HDADLO O=C(CN1Cc2ccccc2C1=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000730050787 1076423090 /nfs/dbraw/zinc/42/30/90/1076423090.db2.gz HGXINFUXDKYAAT-UHFFFAOYSA-N 1 2 413.499 1.592 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000730129856 1076459433 /nfs/dbraw/zinc/45/94/33/1076459433.db2.gz CRURVNKKWANRLG-IRXDYDNUSA-N 1 2 411.591 1.957 20 0 HDADLO CCCC(=O)NC1CC[NH+](CN2C(=O)N[C@@](C)(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000730252517 1076498979 /nfs/dbraw/zinc/49/89/79/1076498979.db2.gz NSWDUGYARVTXJL-QFIPXVFZSA-N 1 2 416.522 1.886 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730261943 1076502689 /nfs/dbraw/zinc/50/26/89/1076502689.db2.gz IQORRTXYZITPSE-OAHLLOKOSA-N 1 2 423.510 1.928 20 0 HDADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730261943 1076502693 /nfs/dbraw/zinc/50/26/93/1076502693.db2.gz IQORRTXYZITPSE-OAHLLOKOSA-N 1 2 423.510 1.928 20 0 HDADLO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)[C@@H]1CCOC1 ZINC000730265419 1076507093 /nfs/dbraw/zinc/50/70/93/1076507093.db2.gz UJRRSKHBJNWDOA-MRXNPFEDSA-N 1 2 408.524 1.597 20 0 HDADLO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)[C@@H]1CCOC1 ZINC000730265419 1076507099 /nfs/dbraw/zinc/50/70/99/1076507099.db2.gz UJRRSKHBJNWDOA-MRXNPFEDSA-N 1 2 408.524 1.597 20 0 HDADLO CNC(=O)CNC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C ZINC000730517089 1076584183 /nfs/dbraw/zinc/58/41/83/1076584183.db2.gz QYHVIWSRTXEFEW-KRWDZBQOSA-N 1 2 415.494 1.229 20 0 HDADLO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000730544832 1076596996 /nfs/dbraw/zinc/59/69/96/1076596996.db2.gz BEWWIKGGOAZQMS-UHFFFAOYSA-N 1 2 408.466 1.401 20 0 HDADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730570322 1076604901 /nfs/dbraw/zinc/60/49/01/1076604901.db2.gz HTUQGBWWAUSQJH-MRXNPFEDSA-N 1 2 411.959 1.898 20 0 HDADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730570322 1076604905 /nfs/dbraw/zinc/60/49/05/1076604905.db2.gz HTUQGBWWAUSQJH-MRXNPFEDSA-N 1 2 411.959 1.898 20 0 HDADLO O=C(COC(=O)Cn1ncc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000730639573 1076622110 /nfs/dbraw/zinc/62/21/10/1076622110.db2.gz WKJVHIQPEZYPRY-UHFFFAOYSA-N 1 2 422.485 1.728 20 0 HDADLO CCOC(=O)Nc1ccc(OC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000730784275 1076656876 /nfs/dbraw/zinc/65/68/76/1076656876.db2.gz RUSFOYOOTJIRNW-HNNXBMFYSA-N 1 2 405.451 1.341 20 0 HDADLO NS(=O)(=O)c1ccc(CC[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000730937175 1076697525 /nfs/dbraw/zinc/69/75/25/1076697525.db2.gz YGBWUABNVDPQFO-UHFFFAOYSA-N 1 2 423.560 1.024 20 0 HDADLO CCOC(=O)c1cnn(C[N@@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1C(F)F ZINC000731204629 1076754245 /nfs/dbraw/zinc/75/42/45/1076754245.db2.gz NTWXEIVTBBUSKY-CHWSQXEVSA-N 1 2 402.442 1.818 20 0 HDADLO CCOC(=O)c1cnn(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1C(F)F ZINC000731204629 1076754254 /nfs/dbraw/zinc/75/42/54/1076754254.db2.gz NTWXEIVTBBUSKY-CHWSQXEVSA-N 1 2 402.442 1.818 20 0 HDADLO CC(=O)NC1(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000731255408 1076771536 /nfs/dbraw/zinc/77/15/36/1076771536.db2.gz SCEVGHTUKXDIJG-UHFFFAOYSA-N 1 2 403.479 1.449 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3COC4(C)C)CC2)C1=O ZINC001164637060 719271472 /nfs/dbraw/zinc/27/14/72/719271472.db2.gz ZZBQIWKOGBOLHU-UHFFFAOYSA-N 1 2 423.945 1.655 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3COC4(C)C)CC2)C1=O ZINC001164637060 719271479 /nfs/dbraw/zinc/27/14/79/719271479.db2.gz ZZBQIWKOGBOLHU-UHFFFAOYSA-N 1 2 423.945 1.655 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3CSC4)CC2)C1=O ZINC001164636790 719271830 /nfs/dbraw/zinc/27/18/30/719271830.db2.gz XCSUOLZOKUNRLA-UHFFFAOYSA-N 1 2 411.959 1.636 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3CSC4)CC2)C1=O ZINC001164636790 719271833 /nfs/dbraw/zinc/27/18/33/719271833.db2.gz XCSUOLZOKUNRLA-UHFFFAOYSA-N 1 2 411.959 1.636 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3SCC4)CC2)C1=O ZINC001164633046 719272288 /nfs/dbraw/zinc/27/22/88/719272288.db2.gz FSGQEZVNKCGRDT-UHFFFAOYSA-N 1 2 411.959 1.538 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3SCC4)CC2)C1=O ZINC001164633046 719272292 /nfs/dbraw/zinc/27/22/92/719272292.db2.gz FSGQEZVNKCGRDT-UHFFFAOYSA-N 1 2 411.959 1.538 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C)cc3C(OC)OC)CC2)C1=O ZINC001164640149 719277988 /nfs/dbraw/zinc/27/79/88/719277988.db2.gz NTFGVLMTGZPLBU-UHFFFAOYSA-N 1 2 406.527 1.441 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C)cc3C(OC)OC)CC2)C1=O ZINC001164640149 719277989 /nfs/dbraw/zinc/27/79/89/719277989.db2.gz NTFGVLMTGZPLBU-UHFFFAOYSA-N 1 2 406.527 1.441 20 0 HDADLO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164646822 719309503 /nfs/dbraw/zinc/30/95/03/719309503.db2.gz IJUMEJLVCNHXMJ-UHFFFAOYSA-N 1 2 417.539 1.763 20 0 HDADLO COC(=O)c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)c1 ZINC001164702011 719837738 /nfs/dbraw/zinc/83/77/38/719837738.db2.gz NEAGKVXBHVSKBG-KUHUBIRLSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706527 719838925 /nfs/dbraw/zinc/83/89/25/719838925.db2.gz XNKMEKHROQOCFQ-YJYMSZOUSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCC2)nc(C)n1 ZINC001164705279 719841769 /nfs/dbraw/zinc/84/17/69/719841769.db2.gz USJHSYWSOJGZCQ-DYESRHJHSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164706060 719841831 /nfs/dbraw/zinc/84/18/31/719841831.db2.gz WEHMKNPKXQTPRA-BFUOFWGJSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164701428 719842025 /nfs/dbraw/zinc/84/20/25/719842025.db2.gz MEIOXPCWMOYJSS-LIRRHRJNSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cc1OC ZINC001164697310 719843446 /nfs/dbraw/zinc/84/34/46/719843446.db2.gz CMFBOJNDLDMQNP-VBKZILBWSA-N 1 2 407.467 1.110 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OC(C)C)nn1 ZINC001164699323 719845633 /nfs/dbraw/zinc/84/56/33/719845633.db2.gz HJVXNTULGPBAQE-MGPUTAFESA-N 1 2 406.483 1.275 20 0 HDADLO CCOC(=O)c1ncnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1C ZINC001164706004 719857914 /nfs/dbraw/zinc/85/79/14/719857914.db2.gz VXXIPZBNVHNPRX-YWZLYKJASA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(C(=O)OC(C)(C)C)n1 ZINC001164704112 719858778 /nfs/dbraw/zinc/85/87/78/719858778.db2.gz RMZZFWUNDKUKFU-BTYIYWSLSA-N 1 2 420.510 1.665 20 0 HDADLO CNC(=O)c1nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ccc1Cl ZINC001164697770 719859723 /nfs/dbraw/zinc/85/97/23/719859723.db2.gz AKIXQUHQWURLTM-YJYMSZOUSA-N 1 2 410.902 1.327 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NC(C)(C)C)ccn1 ZINC001164707030 719862464 /nfs/dbraw/zinc/86/24/64/719862464.db2.gz ZXFFSDPZSOXQJS-VGOFRKELSA-N 1 2 418.538 1.843 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C(OC)OC ZINC001164706760 719863614 /nfs/dbraw/zinc/86/36/14/719863614.db2.gz QJMAHUAKGHHUMQ-KKSFZXQISA-N 1 2 407.511 1.914 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCSCC2)ncn1 ZINC001164708047 719874331 /nfs/dbraw/zinc/87/43/31/719874331.db2.gz XJCMLBJWLQGRDM-OXQOHEQNSA-N 1 2 421.567 1.263 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(-c2nccs2)n1 ZINC001164699723 719879554 /nfs/dbraw/zinc/87/95/54/719879554.db2.gz HNSUIAHVSCPXIP-KUHUBIRLSA-N 1 2 403.508 1.833 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(-c2nccs2)n1 ZINC001164699722 719879758 /nfs/dbraw/zinc/87/97/58/719879758.db2.gz HNSUIAHVSCPXIP-IFXJQAMLSA-N 1 2 403.508 1.833 20 0 HDADLO COc1cc(Cl)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709482 719907408 /nfs/dbraw/zinc/90/74/08/719907408.db2.gz WBGMWKMGCHIBAS-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164708409 719909532 /nfs/dbraw/zinc/90/95/32/719909532.db2.gz CPBIDHXCCXVLJM-LJQANCHMSA-N 1 2 422.892 1.546 20 0 HDADLO COc1ccc2c(c1)ncnc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708470 719910083 /nfs/dbraw/zinc/91/00/83/719910083.db2.gz DUNQJSBPGWFWJL-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO CSc1cnc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708348 719910920 /nfs/dbraw/zinc/91/09/20/719910920.db2.gz AAZAWTXPKPEPBQ-UHFFFAOYSA-N 1 2 421.958 1.536 20 0 HDADLO CC(=O)Nc1c(C)ccnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708825 719918965 /nfs/dbraw/zinc/91/89/65/719918965.db2.gz SSGCNCHAIQXNKY-UHFFFAOYSA-N 1 2 411.510 1.032 20 0 HDADLO Cc1noc(-c2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2)n1 ZINC001164708608 719927770 /nfs/dbraw/zinc/92/77/70/719927770.db2.gz NBDXAFQSJUCCKN-UHFFFAOYSA-N 1 2 422.493 1.124 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164718928 720222437 /nfs/dbraw/zinc/22/24/37/720222437.db2.gz PCOOVMLESNJNAK-FQEVSTJZSA-N 1 2 408.474 1.062 20 0 HDADLO CCOC(=O)c1cc(F)cnc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164718928 720222445 /nfs/dbraw/zinc/22/24/45/720222445.db2.gz PCOOVMLESNJNAK-FQEVSTJZSA-N 1 2 408.474 1.062 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cccc(Cl)n3)C2)C1 ZINC001164718670 720231956 /nfs/dbraw/zinc/23/19/56/720231956.db2.gz GMLLPWUNTMIICW-KRWDZBQOSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3cccc(Cl)n3)C2)C1 ZINC001164718670 720231965 /nfs/dbraw/zinc/23/19/65/720231965.db2.gz GMLLPWUNTMIICW-KRWDZBQOSA-N 1 2 418.872 1.825 20 0 HDADLO COc1nc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820280 720370511 /nfs/dbraw/zinc/37/05/11/720370511.db2.gz NGOXKPYDYDUWRL-UHFFFAOYSA-N 1 2 416.551 1.872 20 0 HDADLO COc1nc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820280 720370517 /nfs/dbraw/zinc/37/05/17/720370517.db2.gz NGOXKPYDYDUWRL-UHFFFAOYSA-N 1 2 416.551 1.872 20 0 HDADLO Cc1nc(Cl)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C ZINC001164828983 720427736 /nfs/dbraw/zinc/42/77/36/720427736.db2.gz YOZTZWKUEORCEA-INIZCTEOSA-N 1 2 420.945 1.933 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cnccc31)C2 ZINC001164826279 720437774 /nfs/dbraw/zinc/43/77/74/720437774.db2.gz VLMUBTICVLVCGZ-INIZCTEOSA-N 1 2 409.494 1.211 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc3cccnc3n1)C2 ZINC001164822292 720446898 /nfs/dbraw/zinc/44/68/98/720446898.db2.gz CJKLVRNWLFTMNF-MRXNPFEDSA-N 1 2 409.494 1.211 20 0 HDADLO CC(C)c1cncnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824121 720451487 /nfs/dbraw/zinc/45/14/87/720451487.db2.gz MHWPSLWDIGFRCX-QGZVFWFLSA-N 1 2 400.527 1.786 20 0 HDADLO CC(C)c1cncnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824120 720452079 /nfs/dbraw/zinc/45/20/79/720452079.db2.gz MHWPSLWDIGFRCX-KRWDZBQOSA-N 1 2 400.527 1.786 20 0 HDADLO Cc1cc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2[nH]1 ZINC001164829929 720458849 /nfs/dbraw/zinc/45/88/49/720458849.db2.gz IAVCIIKBWVJVLD-INIZCTEOSA-N 1 2 411.510 1.452 20 0 HDADLO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(C)c1Cl ZINC001164828851 720459365 /nfs/dbraw/zinc/45/93/65/720459365.db2.gz BDNCBIVQBYVJTG-MRXNPFEDSA-N 1 2 420.945 1.933 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc3c(n1)CCCC3)C2 ZINC001164830458 720477938 /nfs/dbraw/zinc/47/79/38/720477938.db2.gz BRFWLWFFCNXCPY-SFHVURJKSA-N 1 2 412.538 1.542 20 0 HDADLO CCc1cc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164783440 721418530 /nfs/dbraw/zinc/41/85/30/721418530.db2.gz IQEAXEJFNSRRDK-HOTGVXAUSA-N 1 2 400.552 1.900 20 0 HDADLO COC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH]cnc-2n1 ZINC001164802485 721534654 /nfs/dbraw/zinc/53/46/54/721534654.db2.gz GMNZUAPNLJGDPY-FHWLQOOXSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)[nH]cnc-2n1 ZINC001164802485 721534657 /nfs/dbraw/zinc/53/46/57/721534657.db2.gz GMNZUAPNLJGDPY-FHWLQOOXSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(ncnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH]1 ZINC001164802485 721534662 /nfs/dbraw/zinc/53/46/62/721534662.db2.gz GMNZUAPNLJGDPY-FHWLQOOXSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(ncnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH]1 ZINC001164802485 721534666 /nfs/dbraw/zinc/53/46/66/721534666.db2.gz GMNZUAPNLJGDPY-FHWLQOOXSA-N 1 2 422.489 1.959 20 0 HDADLO COc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164908696 721534966 /nfs/dbraw/zinc/53/49/66/721534966.db2.gz QFLQDJMRAABUHE-GDBMZVCRSA-N 1 2 422.482 1.370 20 0 HDADLO COc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(S(C)(=O)=O)n1 ZINC001164908696 721534971 /nfs/dbraw/zinc/53/49/71/721534971.db2.gz QFLQDJMRAABUHE-GDBMZVCRSA-N 1 2 422.482 1.370 20 0 HDADLO NC(=O)c1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912931 721771979 /nfs/dbraw/zinc/77/19/79/721771979.db2.gz SBTQHXNDLLUKQQ-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912931 721771983 /nfs/dbraw/zinc/77/19/83/721771983.db2.gz SBTQHXNDLLUKQQ-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO C[C@@H]1C(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915578 721786023 /nfs/dbraw/zinc/78/60/23/721786023.db2.gz LLNQFOBCOXFULD-BTYIYWSLSA-N 1 2 410.478 1.035 20 0 HDADLO C[C@@H]1C(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915578 721786026 /nfs/dbraw/zinc/78/60/26/721786026.db2.gz LLNQFOBCOXFULD-BTYIYWSLSA-N 1 2 410.478 1.035 20 0 HDADLO c1cn(-c2cncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cn1 ZINC001164915513 721789862 /nfs/dbraw/zinc/78/98/62/721789862.db2.gz KUNQVZLVLHJEMA-OAQYLSRUSA-N 1 2 407.478 1.165 20 0 HDADLO c1cn(-c2cncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cn1 ZINC001164915513 721789867 /nfs/dbraw/zinc/78/98/67/721789867.db2.gz KUNQVZLVLHJEMA-OAQYLSRUSA-N 1 2 407.478 1.165 20 0 HDADLO Fc1nc(F)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164914936 721792713 /nfs/dbraw/zinc/79/27/13/721792713.db2.gz RJDJRDZSRHYCBB-GOSISDBHSA-N 1 2 411.840 1.911 20 0 HDADLO Fc1nc(F)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164914936 721792717 /nfs/dbraw/zinc/79/27/17/721792717.db2.gz RJDJRDZSRHYCBB-GOSISDBHSA-N 1 2 411.840 1.911 20 0 HDADLO COc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2c1ccn2C ZINC001164913969 721800590 /nfs/dbraw/zinc/80/05/90/721800590.db2.gz JHDHTKDMZVYIHM-QFIPXVFZSA-N 1 2 424.505 1.480 20 0 HDADLO COc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2c1ccn2C ZINC001164913969 721800591 /nfs/dbraw/zinc/80/05/91/721800591.db2.gz JHDHTKDMZVYIHM-QFIPXVFZSA-N 1 2 424.505 1.480 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nnc(Cl)c3c2N(C)CCO3)CC1 ZINC001164918270 721818368 /nfs/dbraw/zinc/81/83/68/721818368.db2.gz LKQRJLHOCIPBLK-UHFFFAOYSA-N 1 2 403.918 1.905 20 0 HDADLO Clc1nnc(Cl)c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1N1CCOCC1 ZINC001165041810 721926863 /nfs/dbraw/zinc/92/68/63/721926863.db2.gz BWYBUXYJQOBSHJ-CYBMUJFWSA-N 1 2 402.326 1.921 20 0 HDADLO COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)c12 ZINC001164946591 721949438 /nfs/dbraw/zinc/94/94/38/721949438.db2.gz WFMNLOVBWUSFPZ-JKSUJKDBSA-N 1 2 412.450 1.439 20 0 HDADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164945639 721980292 /nfs/dbraw/zinc/98/02/92/721980292.db2.gz CHSXXOQJNFAKAR-UHFFFAOYSA-N 1 2 408.506 1.197 20 0 HDADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164945639 721980293 /nfs/dbraw/zinc/98/02/93/721980293.db2.gz CHSXXOQJNFAKAR-UHFFFAOYSA-N 1 2 408.506 1.197 20 0 HDADLO C[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1(=O)=O ZINC000429046568 1073466167 /nfs/dbraw/zinc/46/61/67/1073466167.db2.gz VISYFVGWFTXEAV-PKOBYXMFSA-N 1 2 409.552 1.496 20 0 HDADLO C[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1(=O)=O ZINC000429046568 1073466171 /nfs/dbraw/zinc/46/61/71/1073466171.db2.gz VISYFVGWFTXEAV-PKOBYXMFSA-N 1 2 409.552 1.496 20 0 HDADLO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673640840 1073473025 /nfs/dbraw/zinc/47/30/25/1073473025.db2.gz ZAAACODVYYOODN-IBGZPJMESA-N 1 2 402.520 1.282 20 0 HDADLO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673640840 1073473029 /nfs/dbraw/zinc/47/30/29/1073473029.db2.gz ZAAACODVYYOODN-IBGZPJMESA-N 1 2 402.520 1.282 20 0 HDADLO COc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1NC(C)=O ZINC000014098781 1073483302 /nfs/dbraw/zinc/48/33/02/1073483302.db2.gz RHRTUDZVNIETLE-KBPBESRZSA-N 1 2 413.540 1.820 20 0 HDADLO C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671399185 1073507052 /nfs/dbraw/zinc/50/70/52/1073507052.db2.gz VVRBNKNENGFTPM-MRXNPFEDSA-N 1 2 413.547 1.480 20 0 HDADLO C[C@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001128519232 1073569414 /nfs/dbraw/zinc/56/94/14/1073569414.db2.gz NXBCOHYDJMFECD-NVXWUHKLSA-N 1 2 418.494 1.529 20 0 HDADLO O=C(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)Nc1ccc(-n2cccn2)cc1 ZINC000673656915 1073590933 /nfs/dbraw/zinc/59/09/33/1073590933.db2.gz QUDIAOAPJBAPGV-HXUWFJFHSA-N 1 2 404.474 1.987 20 0 HDADLO O=C(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)Nc1ccc(-n2cccn2)cc1 ZINC000673656915 1073590942 /nfs/dbraw/zinc/59/09/42/1073590942.db2.gz QUDIAOAPJBAPGV-HXUWFJFHSA-N 1 2 404.474 1.987 20 0 HDADLO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001128520773 1073606788 /nfs/dbraw/zinc/60/67/88/1073606788.db2.gz JNHXWOPFDMZNQL-UHFFFAOYSA-N 1 2 417.554 1.735 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccn1 ZINC000509126396 1073658826 /nfs/dbraw/zinc/65/88/26/1073658826.db2.gz NJVVKGAZTVDHNL-JOCHJYFZSA-N 1 2 414.481 1.937 20 0 HDADLO COCc1cccc(C[N@@H+]2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001108085427 1073661469 /nfs/dbraw/zinc/66/14/69/1073661469.db2.gz YYFOKZJKCPYNLX-IBYACTMASA-N 1 2 400.519 1.964 20 0 HDADLO COCc1cccc(C[N@H+]2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001108085427 1073661481 /nfs/dbraw/zinc/66/14/81/1073661481.db2.gz YYFOKZJKCPYNLX-IBYACTMASA-N 1 2 400.519 1.964 20 0 HDADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673746901 1073682310 /nfs/dbraw/zinc/68/23/10/1073682310.db2.gz DFEASFJWJOFWIG-CQSZACIVSA-N 1 2 418.523 1.019 20 0 HDADLO C[C@@H](NC(=O)C1CCCC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000509133392 1073687660 /nfs/dbraw/zinc/68/76/60/1073687660.db2.gz YKTMPFWPZHSKHR-MRXNPFEDSA-N 1 2 400.523 1.901 20 0 HDADLO CN1C[C@@H](CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)Cc2ccccc21 ZINC000429121690 1073691291 /nfs/dbraw/zinc/69/12/91/1073691291.db2.gz HMSGRWYAIMSRQH-DYESRHJHSA-N 1 2 404.580 1.802 20 0 HDADLO COC(=O)c1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c(Br)c1 ZINC000766027790 1073691831 /nfs/dbraw/zinc/69/18/31/1073691831.db2.gz ZHNNVZIGFGFAEQ-UHFFFAOYSA-N 1 2 422.297 1.667 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)[nH+]c12 ZINC000673775618 1073708654 /nfs/dbraw/zinc/70/86/54/1073708654.db2.gz BIKYHMJIQSDHFM-MRXNPFEDSA-N 1 2 412.446 1.653 20 0 HDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673769530 1073713185 /nfs/dbraw/zinc/71/31/85/1073713185.db2.gz KGOZZJJWWGYWRX-UHFFFAOYSA-N 1 2 415.519 1.734 20 0 HDADLO O=C(Nc1ccc(Br)c(F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781574 1073716446 /nfs/dbraw/zinc/71/64/46/1073716446.db2.gz AUMGCVOAKQMWKT-CYBMUJFWSA-N 1 2 414.275 1.850 20 0 HDADLO Cc1nccc(-c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)c2)n1 ZINC000673782924 1073722683 /nfs/dbraw/zinc/72/26/83/1073722683.db2.gz DAADIRRUSQLALL-IBGZPJMESA-N 1 2 409.490 1.714 20 0 HDADLO CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673784210 1073724108 /nfs/dbraw/zinc/72/41/08/1073724108.db2.gz YEUMYZYJLFRSNN-KRWDZBQOSA-N 1 2 402.495 1.605 20 0 HDADLO O=C(Nc1ccc(OCc2ccncc2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784311 1073724871 /nfs/dbraw/zinc/72/48/71/1073724871.db2.gz IXMDSJRXQYUOMV-OAQYLSRUSA-N 1 2 424.501 1.922 20 0 HDADLO O=C(Nc1cccc(N2CCCCC2=O)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784765 1073726312 /nfs/dbraw/zinc/72/63/12/1073726312.db2.gz KCGFTBWUOBFROD-IBGZPJMESA-N 1 2 414.506 1.465 20 0 HDADLO CSc1cc2c(cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)OCCO2 ZINC000673784806 1073730056 /nfs/dbraw/zinc/73/00/56/1073730056.db2.gz KVCFDJRKLVLMMC-AWEZNQCLSA-N 1 2 421.519 1.441 20 0 HDADLO COCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000673785764 1073730578 /nfs/dbraw/zinc/73/05/78/1073730578.db2.gz YXOYWVBVVKATPI-INIZCTEOSA-N 1 2 409.458 1.113 20 0 HDADLO O=C(Nc1ccc(OC2CCCC2)nc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785720 1073730722 /nfs/dbraw/zinc/73/07/22/1073730722.db2.gz XYKBBHMVWRBWDD-GOSISDBHSA-N 1 2 402.495 1.665 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccnc3N3CCOCC3)[nH+]c12 ZINC000673786676 1073731175 /nfs/dbraw/zinc/73/11/75/1073731175.db2.gz KCHBJEMBNKTKGC-UHFFFAOYSA-N 1 2 408.462 1.172 20 0 HDADLO CC(=O)N1CCc2cc(NC(=O)C(=O)NCCc3cn4cccc(C)c4[nH+]3)ccc21 ZINC000673788867 1073735397 /nfs/dbraw/zinc/73/53/97/1073735397.db2.gz PMCILXDHECKKQX-UHFFFAOYSA-N 1 2 405.458 1.849 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)[nH+]c12 ZINC000673787775 1073741373 /nfs/dbraw/zinc/74/13/73/1073741373.db2.gz WWYLFPPSLPHGAV-UHFFFAOYSA-N 1 2 405.458 1.832 20 0 HDADLO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673789021 1073744961 /nfs/dbraw/zinc/74/49/61/1073744961.db2.gz RCXCZAHHWYZMMB-UHFFFAOYSA-N 1 2 423.473 1.651 20 0 HDADLO COc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1NS(C)(=O)=O ZINC000673810234 1073754695 /nfs/dbraw/zinc/75/46/95/1073754695.db2.gz NHBGYNKYSUJKPJ-HNNXBMFYSA-N 1 2 412.512 1.395 20 0 HDADLO CC(C)c1nc(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c[nH]1 ZINC000673819797 1073763956 /nfs/dbraw/zinc/76/39/56/1073763956.db2.gz ABDGMLDQEAKYSQ-UHFFFAOYSA-N 1 2 408.524 1.723 20 0 HDADLO CC(=O)NCCc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673823736 1073767314 /nfs/dbraw/zinc/76/73/14/1073767314.db2.gz SKGQZRLZSYBMKK-UHFFFAOYSA-N 1 2 400.504 1.842 20 0 HDADLO Cc1cccn2cc(CCNS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)[nH+]c12 ZINC000673823835 1073768930 /nfs/dbraw/zinc/76/89/30/1073768930.db2.gz UAIAQODZUBLOAY-UHFFFAOYSA-N 1 2 401.492 1.728 20 0 HDADLO CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000509155310 1073779178 /nfs/dbraw/zinc/77/91/78/1073779178.db2.gz QCNXCYIIAUHWHU-UHFFFAOYSA-N 1 2 423.564 1.311 20 0 HDADLO O=C(C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCc2ccccc2C1 ZINC000216296815 1073782426 /nfs/dbraw/zinc/78/24/26/1073782426.db2.gz YVDIUZBLKMVGCN-UHFFFAOYSA-N 1 2 423.542 1.459 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CCCN1c1ncccn1 ZINC000673833359 1073797995 /nfs/dbraw/zinc/79/79/95/1073797995.db2.gz FMFCVTXVGJXLKY-LJQANCHMSA-N 1 2 411.506 1.473 20 0 HDADLO COc1ccccc1OCCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872684 1073837263 /nfs/dbraw/zinc/83/72/63/1073837263.db2.gz URXOLOGMXWHWTD-UHFFFAOYSA-N 1 2 403.483 1.815 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000673872715 1073837599 /nfs/dbraw/zinc/83/75/99/1073837599.db2.gz WASAWARPYNNXDR-FQEVSTJZSA-N 1 2 409.494 1.975 20 0 HDADLO COc1cccc2c1OC[C@@H](NC(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000673871910 1073838718 /nfs/dbraw/zinc/83/87/18/1073838718.db2.gz GCYBMPCOHSEJGX-INIZCTEOSA-N 1 2 401.467 1.349 20 0 HDADLO CC[C@H](C)[C@@H](NC(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(=O)OC ZINC000029632099 1073845702 /nfs/dbraw/zinc/84/57/02/1073845702.db2.gz OXOALCYBRGASCZ-HNAYVOBHSA-N 1 2 405.543 1.734 20 0 HDADLO O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029634218 1073845891 /nfs/dbraw/zinc/84/58/91/1073845891.db2.gz RFWBZQDRMKOFLH-UHFFFAOYSA-N 1 2 422.529 1.915 20 0 HDADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000766042635 1073882354 /nfs/dbraw/zinc/88/23/54/1073882354.db2.gz LWCYHULPJRKDTP-DLBZAZTESA-N 1 2 419.588 1.664 20 0 HDADLO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1nnnn1-c1ccccc1 ZINC000543502736 1073884403 /nfs/dbraw/zinc/88/44/03/1073884403.db2.gz GHMIFBHGYBKTPP-LBPRGKRZSA-N 1 2 409.406 1.390 20 0 HDADLO COc1cc(C[N@@H+]2CC[C@@H](NS(=O)(=O)c3cccc4c3OCO4)C2)cc(OC)c1 ZINC000509175462 1073927839 /nfs/dbraw/zinc/92/78/39/1073927839.db2.gz NCBWIWMMAFZOEG-OAHLLOKOSA-N 1 2 420.487 1.985 20 0 HDADLO COc1cc(C[N@H+]2CC[C@@H](NS(=O)(=O)c3cccc4c3OCO4)C2)cc(OC)c1 ZINC000509175462 1073927843 /nfs/dbraw/zinc/92/78/43/1073927843.db2.gz NCBWIWMMAFZOEG-OAHLLOKOSA-N 1 2 420.487 1.985 20 0 HDADLO O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000429172751 1073946708 /nfs/dbraw/zinc/94/67/08/1073946708.db2.gz LDYPWRKQIZWQEQ-GOSISDBHSA-N 1 2 409.490 1.942 20 0 HDADLO O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000429172751 1073946711 /nfs/dbraw/zinc/94/67/11/1073946711.db2.gz LDYPWRKQIZWQEQ-GOSISDBHSA-N 1 2 409.490 1.942 20 0 HDADLO CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000766044102 1073949790 /nfs/dbraw/zinc/94/97/90/1073949790.db2.gz ZPOYUPCZFQSRLA-UHFFFAOYSA-N 1 2 405.561 1.275 20 0 HDADLO Cc1cc(NC(=O)C[N@H+](CCO)CCN2CCOCC2)n(-c2ccc(C)cc2)n1 ZINC000484378993 1073962866 /nfs/dbraw/zinc/96/28/66/1073962866.db2.gz OININCWITMKLSC-UHFFFAOYSA-N 1 2 401.511 1.054 20 0 HDADLO Cc1cc(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)n(-c2ccc(C)cc2)n1 ZINC000484378993 1073962870 /nfs/dbraw/zinc/96/28/70/1073962870.db2.gz OININCWITMKLSC-UHFFFAOYSA-N 1 2 401.511 1.054 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CCCC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001005042938 1073973457 /nfs/dbraw/zinc/97/34/57/1073973457.db2.gz ZIYSTPJSYLXCBF-UEDWAMCQSA-N 1 2 403.523 1.225 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c(C)nnc2N2CC[C@H](OCCOC)C2)nc[nH+]1 ZINC001299290544 1073974722 /nfs/dbraw/zinc/97/47/22/1073974722.db2.gz LCNSQIMQWUQCOE-IRXDYDNUSA-N 1 2 416.530 1.329 20 0 HDADLO CNc1cc(N2CCC[C@H]2Cn2c(C)nnc2N2CC[C@H](OCCOC)C2)[nH+]cn1 ZINC001299290544 1073974726 /nfs/dbraw/zinc/97/47/26/1073974726.db2.gz LCNSQIMQWUQCOE-IRXDYDNUSA-N 1 2 416.530 1.329 20 0 HDADLO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543525570 1074005568 /nfs/dbraw/zinc/00/55/68/1074005568.db2.gz JPHJWSDNPKZJBM-QGZVFWFLSA-N 1 2 416.522 1.085 20 0 HDADLO O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529195 1074009359 /nfs/dbraw/zinc/00/93/59/1074009359.db2.gz HSBOYTTUJSNYPA-UHFFFAOYSA-N 1 2 422.913 1.041 20 0 HDADLO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466578643 1074010691 /nfs/dbraw/zinc/01/06/91/1074010691.db2.gz OAVFBMORNAFECF-JKSUJKDBSA-N 1 2 409.893 1.863 20 0 HDADLO O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466578643 1074010697 /nfs/dbraw/zinc/01/06/97/1074010697.db2.gz OAVFBMORNAFECF-JKSUJKDBSA-N 1 2 409.893 1.863 20 0 HDADLO COCc1ccc([C@@H]2CCCN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000466583769 1074023650 /nfs/dbraw/zinc/02/36/50/1074023650.db2.gz IPZOHRRGHAOKDY-SFHVURJKSA-N 1 2 414.510 1.885 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)s[nH]2)c1 ZINC000543533287 1074030523 /nfs/dbraw/zinc/03/05/23/1074030523.db2.gz JFAOYCKNWQKKKY-LBPRGKRZSA-N 1 2 401.492 1.175 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)s[nH]2)c1 ZINC000543533287 1074030533 /nfs/dbraw/zinc/03/05/33/1074030533.db2.gz JFAOYCKNWQKKKY-LBPRGKRZSA-N 1 2 401.492 1.175 20 0 HDADLO Cc1nn(C)c(F)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001005072998 1074043515 /nfs/dbraw/zinc/04/35/15/1074043515.db2.gz ZPRVDBQORXAQLR-RYPNDVFKSA-N 1 2 400.458 1.267 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)s[nH]2)c1 ZINC000543559246 1074102205 /nfs/dbraw/zinc/10/22/05/1074102205.db2.gz PSMXMLYMMVSWNP-AWEZNQCLSA-N 1 2 415.519 1.518 20 0 HDADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000543560249 1074105307 /nfs/dbraw/zinc/10/53/07/1074105307.db2.gz ZPOZGDPWJRWFCL-MRXNPFEDSA-N 1 2 412.328 1.303 20 0 HDADLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000543560249 1074105312 /nfs/dbraw/zinc/10/53/12/1074105312.db2.gz ZPOZGDPWJRWFCL-MRXNPFEDSA-N 1 2 412.328 1.303 20 0 HDADLO NC(=O)C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCOCC1 ZINC000466622580 1074141716 /nfs/dbraw/zinc/14/17/16/1074141716.db2.gz FHKTYUUNPBXRCX-SFHVURJKSA-N 1 2 413.478 1.312 20 0 HDADLO COC(=O)C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000766058084 1074160465 /nfs/dbraw/zinc/16/04/65/1074160465.db2.gz CCXLELWHNIFBPE-INIZCTEOSA-N 1 2 404.916 1.586 20 0 HDADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766058942 1074167155 /nfs/dbraw/zinc/16/71/55/1074167155.db2.gz HAYDMMNEJCUMOI-IRXDYDNUSA-N 1 2 419.588 1.712 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC000509218421 1074173870 /nfs/dbraw/zinc/17/38/70/1074173870.db2.gz OLVRXQQNOKMJAN-CVEARBPZSA-N 1 2 417.597 1.820 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000509218421 1074173873 /nfs/dbraw/zinc/17/38/73/1074173873.db2.gz OLVRXQQNOKMJAN-CVEARBPZSA-N 1 2 417.597 1.820 20 0 HDADLO NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000674202846 1074217478 /nfs/dbraw/zinc/21/74/78/1074217478.db2.gz WOGNVTCHNKAPIR-KRWDZBQOSA-N 1 2 424.505 1.387 20 0 HDADLO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674203101 1074217621 /nfs/dbraw/zinc/21/76/21/1074217621.db2.gz DEIUEBBLGGLNQQ-QGZVFWFLSA-N 1 2 406.446 1.650 20 0 HDADLO COc1nc(N2CCC[C@@H](n3ccnc3)C2)nc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000674246357 1074242296 /nfs/dbraw/zinc/24/22/96/1074242296.db2.gz CPEXDYJRCMWHIN-IAGOWNOFSA-N 1 2 409.498 1.956 20 0 HDADLO Cc1cnc([C@@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)s1 ZINC000674270842 1074250550 /nfs/dbraw/zinc/25/05/50/1074250550.db2.gz JWQXTDYIZMYXLJ-CQSZACIVSA-N 1 2 415.519 1.655 20 0 HDADLO COCCCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000674319837 1074281446 /nfs/dbraw/zinc/28/14/46/1074281446.db2.gz ABOQWBJITNKLPG-IBGZPJMESA-N 1 2 405.495 1.364 20 0 HDADLO O=S(=O)(CCc1ccccc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000038530815 1074284550 /nfs/dbraw/zinc/28/45/50/1074284550.db2.gz SLHWZXGMDHYJPM-UHFFFAOYSA-N 1 2 417.535 1.008 20 0 HDADLO O=S(=O)(CCc1ccccc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000038530815 1074284553 /nfs/dbraw/zinc/28/45/53/1074284553.db2.gz SLHWZXGMDHYJPM-UHFFFAOYSA-N 1 2 417.535 1.008 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCc1cccc(Br)c1 ZINC000674396716 1074310313 /nfs/dbraw/zinc/31/03/13/1074310313.db2.gz AQUTVJFGNUBZHQ-KRWDZBQOSA-N 1 2 414.344 1.716 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CCN2C1=O ZINC000674469252 1074366328 /nfs/dbraw/zinc/36/63/28/1074366328.db2.gz CZJFQSWZHIOBPR-SFHVURJKSA-N 1 2 416.497 1.722 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CCN2C1=O ZINC000674469252 1074366335 /nfs/dbraw/zinc/36/63/35/1074366335.db2.gz CZJFQSWZHIOBPR-SFHVURJKSA-N 1 2 416.497 1.722 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)CCCOc3ccc(F)cc3)CCN2C1=O ZINC000674501746 1074397893 /nfs/dbraw/zinc/39/78/93/1074397893.db2.gz QHUMBTPDLZLAOP-KRWDZBQOSA-N 1 2 406.458 1.021 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)CCCOc3ccc(F)cc3)CCN2C1=O ZINC000674501746 1074397898 /nfs/dbraw/zinc/39/78/98/1074397898.db2.gz QHUMBTPDLZLAOP-KRWDZBQOSA-N 1 2 406.458 1.021 20 0 HDADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674494799 1074404741 /nfs/dbraw/zinc/40/47/41/1074404741.db2.gz CEYQHCPCLPEBQJ-OAHLLOKOSA-N 1 2 417.959 1.533 20 0 HDADLO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674494799 1074404746 /nfs/dbraw/zinc/40/47/46/1074404746.db2.gz CEYQHCPCLPEBQJ-OAHLLOKOSA-N 1 2 417.959 1.533 20 0 HDADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674494774 1074405201 /nfs/dbraw/zinc/40/52/01/1074405201.db2.gz BLINPOQTIBGLEN-CYBMUJFWSA-N 1 2 405.923 1.793 20 0 HDADLO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674494774 1074405206 /nfs/dbraw/zinc/40/52/06/1074405206.db2.gz BLINPOQTIBGLEN-CYBMUJFWSA-N 1 2 405.923 1.793 20 0 HDADLO O=C(c1ccc2c(c1)NC(=O)CNC2=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000509229226 1074436438 /nfs/dbraw/zinc/43/64/38/1074436438.db2.gz XEGDJQIOOYBMLV-UHFFFAOYSA-N 1 2 407.474 1.921 20 0 HDADLO CC(C)[C@H](C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000509232135 1074479899 /nfs/dbraw/zinc/47/98/99/1074479899.db2.gz IXLQGRDNEBCOEV-MBOZVWFJSA-N 1 2 423.579 1.994 20 0 HDADLO Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001005484481 1074516647 /nfs/dbraw/zinc/51/66/47/1074516647.db2.gz CCIHNJCIEYFQHH-KKEPMVJESA-N 1 2 400.523 1.664 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccccc1 ZINC000674686455 1074523628 /nfs/dbraw/zinc/52/36/28/1074523628.db2.gz PJSYZBJFEZYVOD-MRXNPFEDSA-N 1 2 402.476 1.776 20 0 HDADLO O=C(CN1CCO[C@@H]([C@@H]2CCCO2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000674910753 1074615080 /nfs/dbraw/zinc/61/50/80/1074615080.db2.gz WBPNZVJISIVNGF-FCHUYYIVSA-N 1 2 415.534 1.146 20 0 HDADLO O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596042118 1074661089 /nfs/dbraw/zinc/66/10/89/1074661089.db2.gz VZDJNPVAKHHYTL-UHFFFAOYSA-N 1 2 413.478 1.581 20 0 HDADLO CN1CC(=O)Nc2cc(C(=O)N(CCn3cc[nH+]c3)C3CCSCC3)cnc21 ZINC001128909742 1074663608 /nfs/dbraw/zinc/66/36/08/1074663608.db2.gz MXEFJSRETPYZOB-UHFFFAOYSA-N 1 2 400.508 1.704 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000429310159 1074672632 /nfs/dbraw/zinc/67/26/32/1074672632.db2.gz OKDNIFXGMRNGIL-ILXRZTDVSA-N 1 2 410.540 1.593 20 0 HDADLO CNC(=O)c1ccc(CN(C)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000543614329 1074713065 /nfs/dbraw/zinc/71/30/65/1074713065.db2.gz AHULRUVGYWINFW-UHFFFAOYSA-N 1 2 424.505 1.493 20 0 HDADLO CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000766090478 1074716702 /nfs/dbraw/zinc/71/67/02/1074716702.db2.gz UEODEFQHTPGDJS-INIZCTEOSA-N 1 2 417.572 1.259 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000559864173 1074729445 /nfs/dbraw/zinc/72/94/45/1074729445.db2.gz HENZAEFYIUEISE-UHFFFAOYSA-N 1 2 424.427 2.148 20 0 HDADLO CN(c1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)S(C)(=O)=O ZINC000675125741 1074730276 /nfs/dbraw/zinc/73/02/76/1074730276.db2.gz YFSBTEBQDQKODZ-CQSZACIVSA-N 1 2 405.480 1.081 20 0 HDADLO CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000555994599 1074735113 /nfs/dbraw/zinc/73/51/13/1074735113.db2.gz UAIGRAOROMZJFW-LPHOPBHVSA-N 1 2 402.499 1.709 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3ccnc(N4CCCC4)c3)ccn2)CC1 ZINC000543616029 1074749359 /nfs/dbraw/zinc/74/93/59/1074749359.db2.gz BXFYBUNIULYJPQ-UHFFFAOYSA-N 1 2 423.521 1.786 20 0 HDADLO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000675189473 1074752325 /nfs/dbraw/zinc/75/23/25/1074752325.db2.gz FKIPEKNDMNYSRV-RTBURBONSA-N 1 2 409.490 1.272 20 0 HDADLO O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218754 1074760643 /nfs/dbraw/zinc/76/06/43/1074760643.db2.gz YXPVKCGKUQVTKP-AWEZNQCLSA-N 1 2 424.295 1.108 20 0 HDADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218636 1074760996 /nfs/dbraw/zinc/76/09/96/1074760996.db2.gz RQJPMVJSGJFYSM-RYUDHWBXSA-N 1 2 416.341 1.562 20 0 HDADLO O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219527 1074762737 /nfs/dbraw/zinc/76/27/37/1074762737.db2.gz WRZSSVCVNZIGBZ-SFHVURJKSA-N 1 2 407.536 1.408 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccn(CCc4ccncc4)n3)[nH+]c12 ZINC000675210301 1074764226 /nfs/dbraw/zinc/76/42/26/1074764226.db2.gz ZCLBHWQXGULJTL-UHFFFAOYSA-N 1 2 417.473 1.774 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)ccc1C ZINC000675251576 1074770929 /nfs/dbraw/zinc/77/09/29/1074770929.db2.gz FLINXJYZPGFFQC-KRWDZBQOSA-N 1 2 405.524 1.721 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cn(C)nc2C)ccc1C ZINC000675251576 1074770936 /nfs/dbraw/zinc/77/09/36/1074770936.db2.gz FLINXJYZPGFFQC-KRWDZBQOSA-N 1 2 405.524 1.721 20 0 HDADLO O=C(CCCn1cc[nH+]c1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC001128973444 1074772530 /nfs/dbraw/zinc/77/25/30/1074772530.db2.gz CDTAAQZUTNFTFS-ZBFHGGJFSA-N 1 2 402.417 1.738 20 0 HDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000675269264 1074777849 /nfs/dbraw/zinc/77/78/49/1074777849.db2.gz MRHUGZHQFBBXIL-MAUKXSAKSA-N 1 2 405.524 1.725 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000675258095 1074779747 /nfs/dbraw/zinc/77/97/47/1074779747.db2.gz SSARXTIUUKLWGZ-DOXZYTNZSA-N 1 2 418.519 1.862 20 0 HDADLO CN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000675274607 1074783269 /nfs/dbraw/zinc/78/32/69/1074783269.db2.gz BTKRGMYSGHINLH-SFHVURJKSA-N 1 2 419.551 1.769 20 0 HDADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280848 1074785230 /nfs/dbraw/zinc/78/52/30/1074785230.db2.gz LNLABNPHBADZOH-IEBWSBKVSA-N 1 2 401.507 1.623 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000675281949 1074786000 /nfs/dbraw/zinc/78/60/00/1074786000.db2.gz XLHLGVVZTILSDF-YADHBBJMSA-N 1 2 407.514 1.961 20 0 HDADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675281808 1074786559 /nfs/dbraw/zinc/78/65/59/1074786559.db2.gz UGBDTLUBEGURSS-SJLPKXTDSA-N 1 2 421.925 1.886 20 0 HDADLO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438344703 1074798158 /nfs/dbraw/zinc/79/81/58/1074798158.db2.gz ZRMBTUJIDCNCCF-QGZVFWFLSA-N 1 2 416.501 2.002 20 0 HDADLO O=C(NCc1cc2ccccc2s1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000551837576 1074801791 /nfs/dbraw/zinc/80/17/91/1074801791.db2.gz XMLZNYMNCNALHS-UHFFFAOYSA-N 1 2 413.503 1.685 20 0 HDADLO C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675313177 1074802095 /nfs/dbraw/zinc/80/20/95/1074802095.db2.gz CAHOIOMPTLMGMB-SQNIBIBYSA-N 1 2 418.542 1.396 20 0 HDADLO C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675313177 1074802100 /nfs/dbraw/zinc/80/21/00/1074802100.db2.gz CAHOIOMPTLMGMB-SQNIBIBYSA-N 1 2 418.542 1.396 20 0 HDADLO CCOC(=O)c1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc(S(C)(=O)=O)c1 ZINC000429330069 1074809509 /nfs/dbraw/zinc/80/95/09/1074809509.db2.gz FBKCMAXTTVHDKA-CYBMUJFWSA-N 1 2 406.464 1.600 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766108922 1074814953 /nfs/dbraw/zinc/81/49/53/1074814953.db2.gz OWCJZTZEXUDMBJ-IEBWSBKVSA-N 1 2 406.490 1.584 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766108922 1074814958 /nfs/dbraw/zinc/81/49/58/1074814958.db2.gz OWCJZTZEXUDMBJ-IEBWSBKVSA-N 1 2 406.490 1.584 20 0 HDADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000475482583 1074818671 /nfs/dbraw/zinc/81/86/71/1074818671.db2.gz XUNPBUVTJFULKF-UHFFFAOYSA-N 1 2 409.837 1.882 20 0 HDADLO O=C(NCc1ccnc(N2CCCCC2)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438304322 1074819191 /nfs/dbraw/zinc/81/91/91/1074819191.db2.gz LSQHWNRGZIJVQV-UHFFFAOYSA-N 1 2 413.526 1.922 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NC3CC=CC3)cc2)CC1 ZINC000675421534 1075138828 /nfs/dbraw/zinc/13/88/28/1075138828.db2.gz AJDBBPXOQPEJRY-UHFFFAOYSA-N 1 2 400.523 1.790 20 0 HDADLO CCNC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1 ZINC000675499246 1075180043 /nfs/dbraw/zinc/18/00/43/1075180043.db2.gz QVIDPUSATDFIRT-GOSISDBHSA-N 1 2 403.527 1.635 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000438303820 1075188541 /nfs/dbraw/zinc/18/85/41/1075188541.db2.gz KMYGCSVHGMNXPB-QUCCMNQESA-N 1 2 417.485 2.396 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000438303818 1075188955 /nfs/dbraw/zinc/18/89/55/1075188955.db2.gz KMYGCSVHGMNXPB-AZUAARDMSA-N 1 2 417.485 2.396 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000442478603 1075189981 /nfs/dbraw/zinc/18/99/81/1075189981.db2.gz CWVVYYRACIQYNP-IBGZPJMESA-N 1 2 421.505 1.766 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(F)c(F)cc1Br ZINC000440850968 1075190629 /nfs/dbraw/zinc/19/06/29/1075190629.db2.gz UVIKLHCTPKYSCG-UHFFFAOYSA-N 1 2 415.238 2.508 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000531192592 1075190810 /nfs/dbraw/zinc/19/08/10/1075190810.db2.gz OACFVSLFCHQIEY-UHFFFAOYSA-N 1 2 411.437 1.758 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463752680 1075191385 /nfs/dbraw/zinc/19/13/85/1075191385.db2.gz UWGZYVHPYLAKIP-UHFFFAOYSA-N 1 2 408.462 2.395 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675568522 1075207608 /nfs/dbraw/zinc/20/76/08/1075207608.db2.gz BSUBPZRAFDCRFD-QGZVFWFLSA-N 1 2 404.515 1.128 20 0 HDADLO CCN(CCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000438303542 1075212823 /nfs/dbraw/zinc/21/28/23/1075212823.db2.gz JWJYSWXCKDOBPF-UHFFFAOYSA-N 1 2 400.527 2.253 20 0 HDADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[NH+]1CCN(c2cccs2)CC1 ZINC000466688520 1075219788 /nfs/dbraw/zinc/21/97/88/1075219788.db2.gz BDUXONLHJAQOJO-MRXNPFEDSA-N 1 2 402.520 1.836 20 0 HDADLO CC(C)Cn1cc(NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cn1 ZINC000675603810 1075221087 /nfs/dbraw/zinc/22/10/87/1075221087.db2.gz CKOCLBXKUALRNP-UHFFFAOYSA-N 1 2 412.494 1.504 20 0 HDADLO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000466689462 1075225363 /nfs/dbraw/zinc/22/53/63/1075225363.db2.gz FMQRMAWDRGFFRK-RDJZCZTQSA-N 1 2 415.515 1.808 20 0 HDADLO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000466689462 1075225370 /nfs/dbraw/zinc/22/53/70/1075225370.db2.gz FMQRMAWDRGFFRK-RDJZCZTQSA-N 1 2 415.515 1.808 20 0 HDADLO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000466689461 1075225423 /nfs/dbraw/zinc/22/54/23/1075225423.db2.gz FMQRMAWDRGFFRK-NVXWUHKLSA-N 1 2 415.515 1.808 20 0 HDADLO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2S(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000466689461 1075225428 /nfs/dbraw/zinc/22/54/28/1075225428.db2.gz FMQRMAWDRGFFRK-NVXWUHKLSA-N 1 2 415.515 1.808 20 0 HDADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000426680114 1075225880 /nfs/dbraw/zinc/22/58/80/1075225880.db2.gz KTURIAHYJOJMCL-OAHLLOKOSA-N 1 2 400.483 1.731 20 0 HDADLO CCc1c(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cnn1-c1ccccc1 ZINC000466690169 1075231371 /nfs/dbraw/zinc/23/13/71/1075231371.db2.gz OZYMEHNXSSKSOG-MRXNPFEDSA-N 1 2 400.483 1.085 20 0 HDADLO CCc1c(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cnn1-c1ccccc1 ZINC000466690169 1075231379 /nfs/dbraw/zinc/23/13/79/1075231379.db2.gz OZYMEHNXSSKSOG-MRXNPFEDSA-N 1 2 400.483 1.085 20 0 HDADLO CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000675614867 1075239989 /nfs/dbraw/zinc/23/99/89/1075239989.db2.gz PXJDYLDQRVLJKH-GFCCVEGCSA-N 1 2 400.292 1.800 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000426931093 1075248887 /nfs/dbraw/zinc/24/88/87/1075248887.db2.gz AEUKAQKZMUZNES-IWEFOYFVSA-N 1 2 421.448 1.869 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000426931093 1075248891 /nfs/dbraw/zinc/24/88/91/1075248891.db2.gz AEUKAQKZMUZNES-IWEFOYFVSA-N 1 2 421.448 1.869 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000429370176 1075252291 /nfs/dbraw/zinc/25/22/91/1075252291.db2.gz DIJYNEJUXAZCSB-UHFFFAOYSA-N 1 2 409.483 1.692 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000429370176 1075252297 /nfs/dbraw/zinc/25/22/97/1075252297.db2.gz DIJYNEJUXAZCSB-UHFFFAOYSA-N 1 2 409.483 1.692 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)[nH+]c12 ZINC000675700813 1075256320 /nfs/dbraw/zinc/25/63/20/1075256320.db2.gz SETGMJWUMGKILX-UHFFFAOYSA-N 1 2 412.471 1.270 20 0 HDADLO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1C ZINC000675702162 1075256842 /nfs/dbraw/zinc/25/68/42/1075256842.db2.gz XNLZNHYHYVJXRN-MOPGFXCFSA-N 1 2 416.522 1.960 20 0 HDADLO COc1ccc2cc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000509369398 1075271155 /nfs/dbraw/zinc/27/11/55/1075271155.db2.gz CLGMDVOGCCJMOK-UHFFFAOYSA-N 1 2 418.563 1.458 20 0 HDADLO O=C(CCC(=O)N1CCOC[C@H]1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000675803508 1075273182 /nfs/dbraw/zinc/27/31/82/1075273182.db2.gz DCISFEUNWCEFAY-AWEZNQCLSA-N 1 2 400.401 1.300 20 0 HDADLO COc1cccc(OC)c1OCCCC[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000675843148 1075281781 /nfs/dbraw/zinc/28/17/81/1075281781.db2.gz VPYBWWJEXGKXDY-UHFFFAOYSA-N 1 2 401.529 1.287 20 0 HDADLO Cc1c([C@H]2[C@H](NC(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)CC(=O)N2C)cnn1C ZINC000429382662 1075282846 /nfs/dbraw/zinc/28/28/46/1075282846.db2.gz JATNMLYXLPFMJJ-MDYRTPRTSA-N 1 2 413.526 1.398 20 0 HDADLO COCCn1cc(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)ccc1=O ZINC000675925950 1075292788 /nfs/dbraw/zinc/29/27/88/1075292788.db2.gz GVBLMCKNLUKZJT-UHFFFAOYSA-N 1 2 415.490 1.340 20 0 HDADLO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731334865 1075307726 /nfs/dbraw/zinc/30/77/26/1075307726.db2.gz AJELUGXYISKJJN-MRJCOXNESA-N 1 2 407.540 1.412 20 0 HDADLO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000731352691 1075316188 /nfs/dbraw/zinc/31/61/88/1075316188.db2.gz CFLJPAPSXPGOEV-CQSZACIVSA-N 1 2 411.528 1.464 20 0 HDADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)CC1 ZINC000675974797 1075317031 /nfs/dbraw/zinc/31/70/31/1075317031.db2.gz LRAFGZFTGRWGBE-UHFFFAOYSA-N 1 2 412.538 1.021 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)NC(=O)N[C@@H]1C ZINC000731354367 1075318461 /nfs/dbraw/zinc/31/84/61/1075318461.db2.gz JVPNXJRUVAUTLY-CQSZACIVSA-N 1 2 406.527 1.666 20 0 HDADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ncn(CC(=O)N(C)C)n2)c(C)c1 ZINC000442223949 1075332086 /nfs/dbraw/zinc/33/20/86/1075332086.db2.gz SBADREWYSMPXMU-QGZVFWFLSA-N 1 2 410.482 1.743 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1ccc(F)c(F)c1 ZINC000804076340 1075337011 /nfs/dbraw/zinc/33/70/11/1075337011.db2.gz TYGGXQDZWHKBPK-ZWKOTPCHSA-N 1 2 404.417 1.416 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1ccc(F)c(F)c1 ZINC000804076340 1075337018 /nfs/dbraw/zinc/33/70/18/1075337018.db2.gz TYGGXQDZWHKBPK-ZWKOTPCHSA-N 1 2 404.417 1.416 20 0 HDADLO C[N@H+](CCOC(C)(C)C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000676042964 1075338838 /nfs/dbraw/zinc/33/88/38/1075338838.db2.gz QIEKJWLTYKNLTO-UHFFFAOYSA-N 1 2 413.540 1.393 20 0 HDADLO C[N@@H+](CCOC(C)(C)C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000676042964 1075338843 /nfs/dbraw/zinc/33/88/43/1075338843.db2.gz QIEKJWLTYKNLTO-UHFFFAOYSA-N 1 2 413.540 1.393 20 0 HDADLO Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(C)C)c1 ZINC000596033238 1075341749 /nfs/dbraw/zinc/34/17/49/1075341749.db2.gz NCXCBJXEBFPEIY-FQEVSTJZSA-N 1 2 413.522 1.917 20 0 HDADLO CN(C)C(=O)Sc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000731437320 1075351996 /nfs/dbraw/zinc/35/19/96/1075351996.db2.gz QTOZMOBUOVRKAC-OAHLLOKOSA-N 1 2 420.535 1.580 20 0 HDADLO COc1ccc(C2(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CCOCC2)cc1 ZINC000545995143 1075364230 /nfs/dbraw/zinc/36/42/30/1075364230.db2.gz DTDVNWXAUXLELJ-UHFFFAOYSA-N 1 2 414.506 1.911 20 0 HDADLO CCS(=O)(=O)N1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)[C@H](C)C1 ZINC000554112508 1075391507 /nfs/dbraw/zinc/39/15/07/1075391507.db2.gz YPSGICUKLKOUKC-OAHLLOKOSA-N 1 2 417.535 1.893 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804092184 1075392016 /nfs/dbraw/zinc/39/20/16/1075392016.db2.gz SLDIKALJJBORIU-PMPSAXMXSA-N 1 2 419.526 1.688 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCOC3(CCOCC3)C2)CC1 ZINC000676124859 1075395896 /nfs/dbraw/zinc/39/58/96/1075395896.db2.gz ZLOXWMHGWLAESF-UHFFFAOYSA-N 1 2 402.495 1.488 20 0 HDADLO CC[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1nnc2n1CCCCC2 ZINC000804101045 1075401545 /nfs/dbraw/zinc/40/15/45/1075401545.db2.gz KAOGYRKETYJDFO-JKSUJKDBSA-N 1 2 413.526 1.712 20 0 HDADLO CC(C)[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1nnc2ccccn21 ZINC000804100923 1075401599 /nfs/dbraw/zinc/40/15/99/1075401599.db2.gz JEPNETDGAQRJGC-WBVHZDCISA-N 1 2 409.494 1.682 20 0 HDADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1OC ZINC000466715764 1075403251 /nfs/dbraw/zinc/40/32/51/1075403251.db2.gz CMWJSFZUFPCENG-KDURUIRLSA-N 1 2 403.523 1.520 20 0 HDADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648394 1075426848 /nfs/dbraw/zinc/42/68/48/1075426848.db2.gz NKXAKYPLGSRDJL-HNNXBMFYSA-N 1 2 405.561 1.161 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000731648340 1075426921 /nfs/dbraw/zinc/42/69/21/1075426921.db2.gz AVOAOZJGJBCNDY-UHFFFAOYSA-N 1 2 417.531 1.899 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccn(Cc3ccccc3)c2=O)CC1 ZINC000731649467 1075428188 /nfs/dbraw/zinc/42/81/88/1075428188.db2.gz RFUCVIUILLUTDQ-UHFFFAOYSA-N 1 2 417.531 1.135 20 0 HDADLO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731649092 1075429125 /nfs/dbraw/zinc/42/91/25/1075429125.db2.gz YCROLTMIRKKGIJ-HXUWFJFHSA-N 1 2 419.547 1.576 20 0 HDADLO CC(C)NC(=O)Nc1ccccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731648698 1075429488 /nfs/dbraw/zinc/42/94/88/1075429488.db2.gz RZPVRTMRPHBIQJ-UHFFFAOYSA-N 1 2 410.540 1.455 20 0 HDADLO COc1ccc(S[C@H](C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650349 1075431477 /nfs/dbraw/zinc/43/14/77/1075431477.db2.gz DXCKZSCVYKQRPB-CQSZACIVSA-N 1 2 400.566 1.801 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Br)ccc2F)CC1 ZINC000731650172 1075431786 /nfs/dbraw/zinc/43/17/86/1075431786.db2.gz HFGNVUOZYPSECQ-UHFFFAOYSA-N 1 2 407.305 1.827 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)o1 ZINC000676195557 1075432295 /nfs/dbraw/zinc/43/22/95/1075432295.db2.gz YOXVTEKXTNTJGB-APWZRJJASA-N 1 2 424.505 1.777 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)C2)o1 ZINC000676195557 1075432300 /nfs/dbraw/zinc/43/23/00/1075432300.db2.gz YOXVTEKXTNTJGB-APWZRJJASA-N 1 2 424.505 1.777 20 0 HDADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2c(n1)onc2C(C)C ZINC000731651187 1075433609 /nfs/dbraw/zinc/43/36/09/1075433609.db2.gz XCMMIIGNRSFTQR-UHFFFAOYSA-N 1 2 408.524 1.893 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000731651174 1075434483 /nfs/dbraw/zinc/43/44/83/1075434483.db2.gz WOCRWUAAJNZMFZ-UHFFFAOYSA-N 1 2 409.430 1.262 20 0 HDADLO CC(C)(C)OC(=O)N1CCC(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731651117 1075434503 /nfs/dbraw/zinc/43/45/03/1075434503.db2.gz YUHJTBQUKVYBRN-UHFFFAOYSA-N 1 2 417.572 1.259 20 0 HDADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)n1-c1nccs1 ZINC000731650639 1075435297 /nfs/dbraw/zinc/43/52/97/1075435297.db2.gz KGBJEABBMFAFOD-UHFFFAOYSA-N 1 2 410.565 1.789 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3)nc2)CC1 ZINC000731650849 1075435413 /nfs/dbraw/zinc/43/54/13/1075435413.db2.gz MDYYIPMTAQCRRL-UHFFFAOYSA-N 1 2 417.531 1.899 20 0 HDADLO Cc1cc(C)n(-c2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2)n1 ZINC000731650539 1075435757 /nfs/dbraw/zinc/43/57/57/1075435757.db2.gz RIWROVHHBMVIOI-UHFFFAOYSA-N 1 2 404.536 1.728 20 0 HDADLO COc1ccc(NC(C)=O)cc1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000469920083 1075441697 /nfs/dbraw/zinc/44/16/97/1075441697.db2.gz SCEKAHCOJBYWJR-UHFFFAOYSA-N 1 2 402.455 1.826 20 0 HDADLO Cc1cccc(C)c1NC(=O)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685965 1075447474 /nfs/dbraw/zinc/44/74/74/1075447474.db2.gz FPFGAXBEIYYEOJ-UHFFFAOYSA-N 1 2 410.540 1.050 20 0 HDADLO C[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](c2ccccc2)O1 ZINC000731686214 1075447547 /nfs/dbraw/zinc/44/75/47/1075447547.db2.gz OLBVJUDNGAKXPE-QFBILLFUSA-N 1 2 409.552 1.667 20 0 HDADLO COc1ccc(CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1OC ZINC000731686180 1075447564 /nfs/dbraw/zinc/44/75/64/1075447564.db2.gz MRKHULJWEQJFQH-UHFFFAOYSA-N 1 2 413.540 1.354 20 0 HDADLO COc1ccc(OC)c(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731685800 1075448041 /nfs/dbraw/zinc/44/80/41/1075448041.db2.gz BTBGHSYTOCLCNT-UHFFFAOYSA-N 1 2 413.540 1.055 20 0 HDADLO CC[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Oc1ccccc1C ZINC000428897405 1075456908 /nfs/dbraw/zinc/45/69/08/1075456908.db2.gz XQLCYWYEJAMPPU-SFHVURJKSA-N 1 2 401.511 2.503 20 0 HDADLO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nnn1-c1cccc(Br)c1 ZINC000676260335 1075459238 /nfs/dbraw/zinc/45/92/38/1075459238.db2.gz IZJAIUGBBKKKQC-NHYWBVRUSA-N 1 2 408.300 1.787 20 0 HDADLO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nnn1-c1cccc(Br)c1 ZINC000676260335 1075459240 /nfs/dbraw/zinc/45/92/40/1075459240.db2.gz IZJAIUGBBKKKQC-NHYWBVRUSA-N 1 2 408.300 1.787 20 0 HDADLO COc1ccc([C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C2CC2)cc1 ZINC000731680415 1075462384 /nfs/dbraw/zinc/46/23/84/1075462384.db2.gz KZCYAHADYYNGTB-IBGZPJMESA-N 1 2 409.552 1.955 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000731679971 1075462882 /nfs/dbraw/zinc/46/28/82/1075462882.db2.gz VVSRXLLKNGHFFN-UHFFFAOYSA-N 1 2 423.457 1.893 20 0 HDADLO CC(C)C(=O)Nc1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731679939 1075462933 /nfs/dbraw/zinc/46/29/33/1075462933.db2.gz UGICEIZSWKOVHZ-UHFFFAOYSA-N 1 2 424.567 1.589 20 0 HDADLO C[C@@H](COc1cccc(F)c1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731681471 1075463260 /nfs/dbraw/zinc/46/32/60/1075463260.db2.gz BOXISFKVCDRNLZ-AWEZNQCLSA-N 1 2 401.504 1.401 20 0 HDADLO COc1ccc(Cl)cc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683103 1075466661 /nfs/dbraw/zinc/46/66/61/1075466661.db2.gz WRTBOPRCNJIEKR-UHFFFAOYSA-N 1 2 403.932 1.657 20 0 HDADLO COc1cccc(C(=O)CCCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000555995324 1075467806 /nfs/dbraw/zinc/46/78/06/1075467806.db2.gz FSKNQRZBFFCMKD-UHFFFAOYSA-N 1 2 400.479 2.216 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000731683859 1075468322 /nfs/dbraw/zinc/46/83/22/1075468322.db2.gz KGEHQCGKGMIXJT-QUCCMNQESA-N 1 2 423.579 1.963 20 0 HDADLO COc1cccc(CC(=O)N2CCN(c3nc(NCCO)c4ccccc4[nH+]3)CC2)c1 ZINC000552923415 1075470724 /nfs/dbraw/zinc/47/07/24/1075470724.db2.gz JRWJDVHHWWTYLW-UHFFFAOYSA-N 1 2 421.501 1.934 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000676273082 1075474294 /nfs/dbraw/zinc/47/42/94/1075474294.db2.gz WASWMIYOQYGUAD-BXUZGUMPSA-N 1 2 416.400 1.343 20 0 HDADLO Cc1cccn2c(CN3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)c[nH+]c12 ZINC000509402369 1075497103 /nfs/dbraw/zinc/49/71/03/1075497103.db2.gz MCCFTZUJLYHSHV-IRXDYDNUSA-N 1 2 407.540 1.114 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000731764690 1075500170 /nfs/dbraw/zinc/50/01/70/1075500170.db2.gz CNQJVZCRNQNDDC-UHFFFAOYSA-N 1 2 421.441 1.269 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000731751900 1075509111 /nfs/dbraw/zinc/50/91/11/1075509111.db2.gz HOMKOPKUPRMEHO-UHFFFAOYSA-N 1 2 408.524 1.444 20 0 HDADLO CCCOC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731752858 1075510090 /nfs/dbraw/zinc/51/00/90/1075510090.db2.gz RZDXPYHLBHMREX-UHFFFAOYSA-N 1 2 411.524 1.884 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)c1C ZINC000429423397 1075511034 /nfs/dbraw/zinc/51/10/34/1075511034.db2.gz KRPSIKKTFPWXEV-UHFFFAOYSA-N 1 2 412.450 2.061 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000731753807 1075511151 /nfs/dbraw/zinc/51/11/51/1075511151.db2.gz FEPLBHCTWUMWEF-UHFFFAOYSA-N 1 2 410.540 1.154 20 0 HDADLO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676341125 1075513634 /nfs/dbraw/zinc/51/36/34/1075513634.db2.gz OHWADURQWKPMJN-FBBABVLZSA-N 1 2 401.507 1.538 20 0 HDADLO O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676341114 1075513694 /nfs/dbraw/zinc/51/36/94/1075513694.db2.gz OBGPAWPYTVEBJC-IEBWSBKVSA-N 1 2 411.506 1.348 20 0 HDADLO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676341286 1075514311 /nfs/dbraw/zinc/51/43/11/1075514311.db2.gz KYOFTQQCTGMXPA-FXAWDEMLSA-N 1 2 402.470 1.287 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000676340431 1075514357 /nfs/dbraw/zinc/51/43/57/1075514357.db2.gz FHQPVUGUKBVCJS-RTWAWAEBSA-N 1 2 408.502 1.356 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000676341927 1075514757 /nfs/dbraw/zinc/51/47/57/1075514757.db2.gz WTODXQCCQGTZEN-RBUKOAKNSA-N 1 2 421.563 1.329 20 0 HDADLO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676342295 1075516474 /nfs/dbraw/zinc/51/64/74/1075516474.db2.gz ZSTHBZXCXQWTGZ-GJZGRUSLSA-N 1 2 422.323 1.735 20 0 HDADLO Cc1nc2ccc(NC(=O)C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2s1 ZINC000731765117 1075519195 /nfs/dbraw/zinc/51/91/95/1075519195.db2.gz OYXTYQNDMNFXEF-UHFFFAOYSA-N 1 2 424.548 1.168 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000676333284 1075522976 /nfs/dbraw/zinc/52/29/76/1075522976.db2.gz ZQDIKPAUAQJSOY-GXFFZTMASA-N 1 2 401.364 1.874 20 0 HDADLO C[C@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000676333284 1075522978 /nfs/dbraw/zinc/52/29/78/1075522978.db2.gz ZQDIKPAUAQJSOY-GXFFZTMASA-N 1 2 401.364 1.874 20 0 HDADLO Cc1nc(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc(N[C@H]2CC(=O)N(C(C)(C)C)C2)[nH+]1 ZINC000480139985 1075525378 /nfs/dbraw/zinc/52/53/78/1075525378.db2.gz PHWQWMHZWUDOER-KBPBESRZSA-N 1 2 403.531 1.803 20 0 HDADLO COc1ncc(Cl)c(N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000488426090 1075526833 /nfs/dbraw/zinc/52/68/33/1075526833.db2.gz RYZNSXCFSHRTGP-ZDUSSCGKSA-N 1 2 405.890 1.846 20 0 HDADLO COc1ncc(Cl)c(N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000488426090 1075526836 /nfs/dbraw/zinc/52/68/36/1075526836.db2.gz RYZNSXCFSHRTGP-ZDUSSCGKSA-N 1 2 405.890 1.846 20 0 HDADLO COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000731845592 1075529668 /nfs/dbraw/zinc/52/96/68/1075529668.db2.gz BFKFGGAPERISES-NRFANRHFSA-N 1 2 401.482 1.915 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)c2)cc[nH+]1 ZINC000544508166 1075536179 /nfs/dbraw/zinc/53/61/79/1075536179.db2.gz YDCJBLZTYHXMTI-KRWDZBQOSA-N 1 2 417.535 1.799 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)c2)cc[nH+]1 ZINC000544614667 1075540479 /nfs/dbraw/zinc/54/04/79/1075540479.db2.gz JGASUMBFRJHHCN-GOSISDBHSA-N 1 2 405.462 1.666 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2csc(-c3ccc(O)cc3)n2)CC1 ZINC000731838564 1075544452 /nfs/dbraw/zinc/54/44/52/1075544452.db2.gz LGKABPMRNIORGF-UHFFFAOYSA-N 1 2 409.533 1.755 20 0 HDADLO Cc1ccc(S(=O)(=O)NCCNc2nc(NCCO)c3ccccc3[nH+]2)s1 ZINC000676413642 1075547875 /nfs/dbraw/zinc/54/78/75/1075547875.db2.gz YLHNVGMTZQCJIW-UHFFFAOYSA-N 1 2 407.521 1.794 20 0 HDADLO CCc1oc(C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)cc1C(=O)OC ZINC000558793463 1075552900 /nfs/dbraw/zinc/55/29/00/1075552900.db2.gz LAMJVPIGDRVULC-UHFFFAOYSA-N 1 2 413.434 2.541 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001006114774 1075562548 /nfs/dbraw/zinc/56/25/48/1075562548.db2.gz LTDMXDJZTTXVSW-NHQZAOEJSA-N 1 2 404.474 1.962 20 0 HDADLO C[C@H]1c2ccc(F)cc2CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000676552168 1075585215 /nfs/dbraw/zinc/58/52/15/1075585215.db2.gz VGTBTSRMTVDSIW-HNNXBMFYSA-N 1 2 415.469 1.439 20 0 HDADLO Cc1cccc(NC(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000731987714 1075586527 /nfs/dbraw/zinc/58/65/27/1075586527.db2.gz VIXGNWLRRBTYGH-SFHVURJKSA-N 1 2 403.479 1.190 20 0 HDADLO CC1(C)CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H]1c1ccccc1 ZINC000676547474 1075593802 /nfs/dbraw/zinc/59/38/02/1075593802.db2.gz NYFBELCKJQXAAF-IBGZPJMESA-N 1 2 411.506 1.764 20 0 HDADLO O=C(Nc1ccc2c(cnn2C(F)F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676615769 1075617208 /nfs/dbraw/zinc/61/72/08/1075617208.db2.gz DDHPMOITCOPHHJ-OAHLLOKOSA-N 1 2 407.421 1.693 20 0 HDADLO CN(CCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000804183212 1075628533 /nfs/dbraw/zinc/62/85/33/1075628533.db2.gz OTOSQOCIYJCGRB-QGZVFWFLSA-N 1 2 404.511 1.485 20 0 HDADLO CN(CCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000804183212 1075628542 /nfs/dbraw/zinc/62/85/42/1075628542.db2.gz OTOSQOCIYJCGRB-QGZVFWFLSA-N 1 2 404.511 1.485 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1 ZINC000505821680 1075641381 /nfs/dbraw/zinc/64/13/81/1075641381.db2.gz PFMHHQOMSMRUKV-CQSZACIVSA-N 1 2 421.509 1.545 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1 ZINC000505821680 1075641384 /nfs/dbraw/zinc/64/13/84/1075641384.db2.gz PFMHHQOMSMRUKV-CQSZACIVSA-N 1 2 421.509 1.545 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)cc2[nH]c1=S ZINC000732161141 1075642248 /nfs/dbraw/zinc/64/22/48/1075642248.db2.gz VGDHXRODRANVIX-SFHVURJKSA-N 1 2 416.547 1.888 20 0 HDADLO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676662141 1075643620 /nfs/dbraw/zinc/64/36/20/1075643620.db2.gz DLBVOOFPBJNLAB-DZGCQCFKSA-N 1 2 401.467 1.377 20 0 HDADLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000676662154 1075643719 /nfs/dbraw/zinc/64/37/19/1075643719.db2.gz GDPULAJXXTXDRD-UHFFFAOYSA-N 1 2 413.400 1.947 20 0 HDADLO O=C(Cc1csc(-c2nc[nH]n2)n1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165385 1075644046 /nfs/dbraw/zinc/64/40/46/1075644046.db2.gz LGQJZIRYFHOVLO-INIZCTEOSA-N 1 2 412.519 1.530 20 0 HDADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000732187317 1075654056 /nfs/dbraw/zinc/65/40/56/1075654056.db2.gz RJYQUVDZLBXDRE-HTAPYJJXSA-N 1 2 414.506 1.897 20 0 HDADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000732187317 1075654057 /nfs/dbraw/zinc/65/40/57/1075654057.db2.gz RJYQUVDZLBXDRE-HTAPYJJXSA-N 1 2 414.506 1.897 20 0 HDADLO COc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1S(=O)(=O)N1CCCC1 ZINC000429459855 1075655438 /nfs/dbraw/zinc/65/54/38/1075655438.db2.gz ZLEHWHKEXSQHHS-HNNXBMFYSA-N 1 2 419.507 1.813 20 0 HDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676717575 1075658736 /nfs/dbraw/zinc/65/87/36/1075658736.db2.gz WMTKQSBNNNVXJJ-ACJLOTCBSA-N 1 2 417.535 1.355 20 0 HDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676717575 1075658739 /nfs/dbraw/zinc/65/87/39/1075658739.db2.gz WMTKQSBNNNVXJJ-ACJLOTCBSA-N 1 2 417.535 1.355 20 0 HDADLO Cc1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000804199719 1075664641 /nfs/dbraw/zinc/66/46/41/1075664641.db2.gz FPENYACLFAQCAO-INIZCTEOSA-N 1 2 417.491 1.560 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000676740932 1075667997 /nfs/dbraw/zinc/66/79/97/1075667997.db2.gz PMVMHPLADBLDCF-INIZCTEOSA-N 1 2 419.469 1.820 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000676740932 1075668002 /nfs/dbraw/zinc/66/80/02/1075668002.db2.gz PMVMHPLADBLDCF-INIZCTEOSA-N 1 2 419.469 1.820 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000676737638 1075670617 /nfs/dbraw/zinc/67/06/17/1075670617.db2.gz CASGRQBVEPSXDC-RBUKOAKNSA-N 1 2 409.552 1.762 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000676737638 1075670620 /nfs/dbraw/zinc/67/06/20/1075670620.db2.gz CASGRQBVEPSXDC-RBUKOAKNSA-N 1 2 409.552 1.762 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000676738995 1075671550 /nfs/dbraw/zinc/67/15/50/1075671550.db2.gz KFEFJOHTSIRSMN-XJKSGUPXSA-N 1 2 403.932 1.189 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000676738995 1075671551 /nfs/dbraw/zinc/67/15/51/1075671551.db2.gz KFEFJOHTSIRSMN-XJKSGUPXSA-N 1 2 403.932 1.189 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@H](c4ccco4)C3)C2=O)cc1 ZINC000732205576 1075676551 /nfs/dbraw/zinc/67/65/51/1075676551.db2.gz JWDYGBORCHURAG-QKKBWIMNSA-N 1 2 412.446 1.576 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@H](c4ccco4)C3)C2=O)cc1 ZINC000732205576 1075676555 /nfs/dbraw/zinc/67/65/55/1075676555.db2.gz JWDYGBORCHURAG-QKKBWIMNSA-N 1 2 412.446 1.576 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732247468 1075679800 /nfs/dbraw/zinc/67/98/00/1075679800.db2.gz HOYKDIDZNGLHKG-OAHLLOKOSA-N 1 2 420.938 1.682 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000732247468 1075679801 /nfs/dbraw/zinc/67/98/01/1075679801.db2.gz HOYKDIDZNGLHKG-OAHLLOKOSA-N 1 2 420.938 1.682 20 0 HDADLO CNS(=O)(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000732228130 1075684008 /nfs/dbraw/zinc/68/40/08/1075684008.db2.gz JSPGPEOYUCRHKV-GOSISDBHSA-N 1 2 401.488 1.485 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490243935 1075687454 /nfs/dbraw/zinc/68/74/54/1075687454.db2.gz MZIZSDUHKUGTIS-CABCVRRESA-N 1 2 423.493 1.676 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490243935 1075687457 /nfs/dbraw/zinc/68/74/57/1075687457.db2.gz MZIZSDUHKUGTIS-CABCVRRESA-N 1 2 423.493 1.676 20 0 HDADLO CCCCNc1cc(N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)nc(N)[nH+]1 ZINC000576759976 1075692305 /nfs/dbraw/zinc/69/23/05/1075692305.db2.gz NIDWXRGKRUWBMN-MRXNPFEDSA-N 1 2 414.510 1.923 20 0 HDADLO CCCCNc1cc(N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)[nH+]c(N)n1 ZINC000576759976 1075692308 /nfs/dbraw/zinc/69/23/08/1075692308.db2.gz NIDWXRGKRUWBMN-MRXNPFEDSA-N 1 2 414.510 1.923 20 0 HDADLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000438515987 1075717768 /nfs/dbraw/zinc/71/77/68/1075717768.db2.gz ILQOQQYWIIYZBZ-SJORKVTESA-N 1 2 424.553 1.309 20 0 HDADLO COc1cccc([C@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000732349980 1075718865 /nfs/dbraw/zinc/71/88/65/1075718865.db2.gz YKNGXUFNLKLFBQ-IBGZPJMESA-N 1 2 404.488 1.678 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000426153031 1075721821 /nfs/dbraw/zinc/72/18/21/1075721821.db2.gz KZKRTNLDLWWCKF-GFCCVEGCSA-N 1 2 409.416 1.428 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 ZINC000426153031 1075721824 /nfs/dbraw/zinc/72/18/24/1075721824.db2.gz KZKRTNLDLWWCKF-GFCCVEGCSA-N 1 2 409.416 1.428 20 0 HDADLO C[C@H](C(=O)OCC(=O)NCC(=O)NC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397190 1075732509 /nfs/dbraw/zinc/73/25/09/1075732509.db2.gz OEEJFQOKYHUPPR-QGZVFWFLSA-N 1 2 417.550 1.904 20 0 HDADLO Cn1c2ccc(C[NH+]3CCN(Cc4nc(N)c5ccccc5n4)CC3)cc2oc1=O ZINC000507050443 1075735606 /nfs/dbraw/zinc/73/56/06/1075735606.db2.gz ACOGVFABBXZZAH-UHFFFAOYSA-N 1 2 404.474 1.975 20 0 HDADLO C[NH+](C)CCn1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000476722639 1075740678 /nfs/dbraw/zinc/74/06/78/1075740678.db2.gz JYTQARVPWKOAPP-UHFFFAOYSA-N 1 2 420.520 1.954 20 0 HDADLO O=C(CCNC(=O)N1CCCC[C@@H]1C1OCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000732459270 1075749654 /nfs/dbraw/zinc/74/96/54/1075749654.db2.gz QWOZNBALCSODOJ-QGZVFWFLSA-N 1 2 417.510 1.057 20 0 HDADLO CC(C)(C(N)=O)c1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000470434943 1075750910 /nfs/dbraw/zinc/75/09/10/1075750910.db2.gz SYFWKLDWNHDHJE-UHFFFAOYSA-N 1 2 400.483 1.622 20 0 HDADLO CC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCOC[C@H]3C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543688207 1075753936 /nfs/dbraw/zinc/75/39/36/1075753936.db2.gz SXORGJLJUOZJQS-LJHODMEESA-N 1 2 412.456 1.965 20 0 HDADLO CC[N@H+]1CC[C@H](NC(=O)N2CCN3CCOC[C@H]3C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543688207 1075753939 /nfs/dbraw/zinc/75/39/39/1075753939.db2.gz SXORGJLJUOZJQS-LJHODMEESA-N 1 2 412.456 1.965 20 0 HDADLO Cc1ccc(Nc2nc(N)nc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)n2)cc1 ZINC000532917205 1075756966 /nfs/dbraw/zinc/75/69/66/1075756966.db2.gz XCUUFDJPERUDMC-UHFFFAOYSA-N 1 2 411.510 1.577 20 0 HDADLO COc1ccccc1[C@@H](O)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732476859 1075757268 /nfs/dbraw/zinc/75/72/68/1075757268.db2.gz ZVHINALDDNGOLK-FPOVZHCZSA-N 1 2 413.518 1.971 20 0 HDADLO CCOC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732476768 1075757374 /nfs/dbraw/zinc/75/73/74/1075757374.db2.gz VXFHBHPBPUHFGO-UXHICEINSA-N 1 2 418.538 1.850 20 0 HDADLO COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000142142276 1075774853 /nfs/dbraw/zinc/77/48/53/1075774853.db2.gz QAANPONDLQDKDD-KRWDZBQOSA-N 1 2 406.483 1.301 20 0 HDADLO COc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1S(N)(=O)=O ZINC000461662446 1075781017 /nfs/dbraw/zinc/78/10/17/1075781017.db2.gz JTGDLNXQFZAWJN-AWEZNQCLSA-N 1 2 407.496 1.165 20 0 HDADLO CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)n(C)c1 ZINC000486847704 1075789735 /nfs/dbraw/zinc/78/97/35/1075789735.db2.gz SXIMRWXLBKDMII-UHFFFAOYSA-N 1 2 406.508 1.360 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Nc3ccn(CC(F)(F)F)n3)ccn2)CC1 ZINC000487221884 1075791117 /nfs/dbraw/zinc/79/11/17/1075791117.db2.gz JAMFNWYJGYLDFT-UHFFFAOYSA-N 1 2 411.388 1.872 20 0 HDADLO COC1(c2ccccc2)CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000509271375 1075792395 /nfs/dbraw/zinc/79/23/95/1075792395.db2.gz CUYAHYNAWUCTBZ-UHFFFAOYSA-N 1 2 410.474 1.549 20 0 HDADLO CC(C)(NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(C(F)(F)F)on1 ZINC000432957148 1075799042 /nfs/dbraw/zinc/79/90/42/1075799042.db2.gz ANRDGBAQBRZSRR-UHFFFAOYSA-N 1 2 416.404 2.279 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)cc1 ZINC000017124359 1075807440 /nfs/dbraw/zinc/80/74/40/1075807440.db2.gz XWZDLSCPJZLNJA-UHFFFAOYSA-N 1 2 424.567 1.122 20 0 HDADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@H]4CCC(=O)N4C)CC3)n2)cc1 ZINC000488683691 1075809715 /nfs/dbraw/zinc/80/97/15/1075809715.db2.gz ODHUJYQTKAWDPQ-GOSISDBHSA-N 1 2 411.506 1.743 20 0 HDADLO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3cnn(-c4cc[nH+]cc4)c3)ccc2O1 ZINC000611028137 1075813869 /nfs/dbraw/zinc/81/38/69/1075813869.db2.gz LQSYVEGAGSLOTA-GOSISDBHSA-N 1 2 414.443 1.935 20 0 HDADLO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3ccnn3-c3cc[nH+]cc3)ccc2O1 ZINC000611028974 1075814470 /nfs/dbraw/zinc/81/44/70/1075814470.db2.gz PDZMKSNBDUTGCD-QGZVFWFLSA-N 1 2 414.443 1.935 20 0 HDADLO Cc1cc(C)n(-c2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2F)n1 ZINC000732658920 1075819108 /nfs/dbraw/zinc/81/91/08/1075819108.db2.gz NIWZZVCINBEOCN-UHFFFAOYSA-N 1 2 422.526 1.867 20 0 HDADLO CCOC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000611049622 1075820769 /nfs/dbraw/zinc/82/07/69/1075820769.db2.gz WQGKAZWIZHUZCO-KRWDZBQOSA-N 1 2 407.515 1.803 20 0 HDADLO CCOC(=O)CC[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000611050101 1075820837 /nfs/dbraw/zinc/82/08/37/1075820837.db2.gz LFOIZDSMIPISBE-KRWDZBQOSA-N 1 2 407.515 1.803 20 0 HDADLO CNC(=O)Cn1nc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000471927985 1075823770 /nfs/dbraw/zinc/82/37/70/1075823770.db2.gz PVXATQNCSSBBRP-CRAIPNDOSA-N 1 2 406.437 1.783 20 0 HDADLO CNC(=O)Cn1nc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1C ZINC000471927985 1075823771 /nfs/dbraw/zinc/82/37/71/1075823771.db2.gz PVXATQNCSSBBRP-CRAIPNDOSA-N 1 2 406.437 1.783 20 0 HDADLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)C[C@@H]1C ZINC000611083650 1075831562 /nfs/dbraw/zinc/83/15/62/1075831562.db2.gz RCGKGWDAPDBDPQ-NSHDSACASA-N 1 2 405.314 1.950 20 0 HDADLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)C[C@@H]1C ZINC000611083650 1075831567 /nfs/dbraw/zinc/83/15/67/1075831567.db2.gz RCGKGWDAPDBDPQ-NSHDSACASA-N 1 2 405.314 1.950 20 0 HDADLO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000611098322 1075842995 /nfs/dbraw/zinc/84/29/95/1075842995.db2.gz YKJVYPJSCLKFLU-HNNXBMFYSA-N 1 2 401.467 1.810 20 0 HDADLO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000611098322 1075842997 /nfs/dbraw/zinc/84/29/97/1075842997.db2.gz YKJVYPJSCLKFLU-HNNXBMFYSA-N 1 2 401.467 1.810 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cc(-c2ccncc2)[nH]n1 ZINC000487323894 1075861294 /nfs/dbraw/zinc/86/12/94/1075861294.db2.gz SKULOHTWERYCNJ-UHFFFAOYSA-N 1 2 405.462 1.934 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccnc(C(=O)NCc3ccccc3)c2)CC1 ZINC000732803008 1075862010 /nfs/dbraw/zinc/86/20/10/1075862010.db2.gz AEDSVPWGUOTLOV-UHFFFAOYSA-N 1 2 416.547 1.354 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)ccc1C ZINC000732807489 1075863376 /nfs/dbraw/zinc/86/33/76/1075863376.db2.gz PEBFPGTZRGGOHY-QGZVFWFLSA-N 1 2 422.551 1.319 20 0 HDADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)ccc1C ZINC000732807489 1075863381 /nfs/dbraw/zinc/86/33/81/1075863381.db2.gz PEBFPGTZRGGOHY-QGZVFWFLSA-N 1 2 422.551 1.319 20 0 HDADLO Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c2)n1 ZINC000596033261 1075868431 /nfs/dbraw/zinc/86/84/31/1075868431.db2.gz OHSDXMVUSPGQGQ-UHFFFAOYSA-N 1 2 408.506 2.329 20 0 HDADLO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809895 1075872061 /nfs/dbraw/zinc/87/20/61/1075872061.db2.gz IBQUYYCBQNNBPC-HNNXBMFYSA-N 1 2 418.485 1.487 20 0 HDADLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812317 1075873093 /nfs/dbraw/zinc/87/30/93/1075873093.db2.gz ADWKTIRFPQGYCP-OCCSQVGLSA-N 1 2 400.401 1.496 20 0 HDADLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812317 1075873096 /nfs/dbraw/zinc/87/30/96/1075873096.db2.gz ADWKTIRFPQGYCP-OCCSQVGLSA-N 1 2 400.401 1.496 20 0 HDADLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812154 1075873728 /nfs/dbraw/zinc/87/37/28/1075873728.db2.gz BSLFURWURVQGNO-LSDHHAIUSA-N 1 2 418.412 1.733 20 0 HDADLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812154 1075873731 /nfs/dbraw/zinc/87/37/31/1075873731.db2.gz BSLFURWURVQGNO-LSDHHAIUSA-N 1 2 418.412 1.733 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814652 1075875267 /nfs/dbraw/zinc/87/52/67/1075875267.db2.gz UNKOFZKGZVCZSF-NVXWUHKLSA-N 1 2 412.456 1.819 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814652 1075875272 /nfs/dbraw/zinc/87/52/72/1075875272.db2.gz UNKOFZKGZVCZSF-NVXWUHKLSA-N 1 2 412.456 1.819 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814739 1075876076 /nfs/dbraw/zinc/87/60/76/1075876076.db2.gz UJGHHTYJTSZWNW-CABCVRRESA-N 1 2 413.444 1.214 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814739 1075876079 /nfs/dbraw/zinc/87/60/79/1075876079.db2.gz UJGHHTYJTSZWNW-CABCVRRESA-N 1 2 413.444 1.214 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814742 1075876143 /nfs/dbraw/zinc/87/61/43/1075876143.db2.gz UJGHHTYJTSZWNW-LSDHHAIUSA-N 1 2 413.444 1.214 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814742 1075876147 /nfs/dbraw/zinc/87/61/47/1075876147.db2.gz UJGHHTYJTSZWNW-LSDHHAIUSA-N 1 2 413.444 1.214 20 0 HDADLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1OC ZINC000732818913 1075878851 /nfs/dbraw/zinc/87/88/51/1075878851.db2.gz LRPQTXJVQWNEKF-IRXDYDNUSA-N 1 2 415.490 1.813 20 0 HDADLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1OC ZINC000732818913 1075878857 /nfs/dbraw/zinc/87/88/57/1075878857.db2.gz LRPQTXJVQWNEKF-IRXDYDNUSA-N 1 2 415.490 1.813 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000611326359 1075901443 /nfs/dbraw/zinc/90/14/43/1075901443.db2.gz FATSJLNRFGGXDY-JXFKEZNVSA-N 1 2 413.584 1.815 20 0 HDADLO Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915441 1075911493 /nfs/dbraw/zinc/91/14/93/1075911493.db2.gz IBLUWWFZYNZGGT-CQSZACIVSA-N 1 2 419.917 1.407 20 0 HDADLO Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915441 1075911496 /nfs/dbraw/zinc/91/14/96/1075911496.db2.gz IBLUWWFZYNZGGT-CQSZACIVSA-N 1 2 419.917 1.407 20 0 HDADLO O=C(NOCc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915239 1075912167 /nfs/dbraw/zinc/91/21/67/1075912167.db2.gz ZTMDOGMYEXUHRI-SFHVURJKSA-N 1 2 412.494 1.713 20 0 HDADLO O=C(NOCc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915239 1075912170 /nfs/dbraw/zinc/91/21/70/1075912170.db2.gz ZTMDOGMYEXUHRI-SFHVURJKSA-N 1 2 412.494 1.713 20 0 HDADLO CCOC(=O)c1cc(NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cn1C ZINC000611358876 1075917596 /nfs/dbraw/zinc/91/75/96/1075917596.db2.gz BWCKRRIROAXFSB-UHFFFAOYSA-N 1 2 423.473 1.744 20 0 HDADLO CCOC(=O)COc1ccc(CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000611361767 1075919165 /nfs/dbraw/zinc/91/91/65/1075919165.db2.gz OECNSVSJHAWVHL-UHFFFAOYSA-N 1 2 410.430 1.574 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000611375575 1075923784 /nfs/dbraw/zinc/92/37/84/1075923784.db2.gz NPYMFTPVEKVKJL-ZDUSSCGKSA-N 1 2 424.441 1.984 20 0 HDADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000611375575 1075923786 /nfs/dbraw/zinc/92/37/86/1075923786.db2.gz NPYMFTPVEKVKJL-ZDUSSCGKSA-N 1 2 424.441 1.984 20 0 HDADLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000732980370 1075935397 /nfs/dbraw/zinc/93/53/97/1075935397.db2.gz IVQXOKTWCQXUIR-KRWDZBQOSA-N 1 2 414.506 1.809 20 0 HDADLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000732980370 1075935399 /nfs/dbraw/zinc/93/53/99/1075935399.db2.gz IVQXOKTWCQXUIR-KRWDZBQOSA-N 1 2 414.506 1.809 20 0 HDADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000733029386 1075946648 /nfs/dbraw/zinc/94/66/48/1075946648.db2.gz FQBPUHMOJGVIOW-UHFFFAOYSA-N 1 2 412.531 1.666 20 0 HDADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000733029386 1075946649 /nfs/dbraw/zinc/94/66/49/1075946649.db2.gz FQBPUHMOJGVIOW-UHFFFAOYSA-N 1 2 412.531 1.666 20 0 HDADLO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611540688 1075956919 /nfs/dbraw/zinc/95/69/19/1075956919.db2.gz NSFDCNYWDWQONA-LSDHHAIUSA-N 1 2 424.544 1.908 20 0 HDADLO NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000105155255 1075969563 /nfs/dbraw/zinc/96/95/63/1075969563.db2.gz CMZCJPYQUFMIFR-MRXNPFEDSA-N 1 2 413.521 1.433 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)c2C)no1 ZINC000506777865 1075977369 /nfs/dbraw/zinc/97/73/69/1075977369.db2.gz QMADCTAGCXZJRU-UHFFFAOYSA-N 1 2 409.494 1.931 20 0 HDADLO CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001080163362 1075983633 /nfs/dbraw/zinc/98/36/33/1075983633.db2.gz CBAVCCJVZHMDBX-KVKFNYHCSA-N 1 2 401.511 1.092 20 0 HDADLO CCCn1nccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001080163362 1075983636 /nfs/dbraw/zinc/98/36/36/1075983636.db2.gz CBAVCCJVZHMDBX-KVKFNYHCSA-N 1 2 401.511 1.092 20 0 HDADLO C[C@@H]1C[N@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080163752 1075984007 /nfs/dbraw/zinc/98/40/07/1075984007.db2.gz YWYMXRYYQOZKDE-PPINKZGXSA-N 1 2 411.531 1.960 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2csc(-c3ncccn3)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080163752 1075984013 /nfs/dbraw/zinc/98/40/13/1075984013.db2.gz YWYMXRYYQOZKDE-PPINKZGXSA-N 1 2 411.531 1.960 20 0 HDADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)c(=O)[nH]c1=O ZINC000050274142 1075992417 /nfs/dbraw/zinc/99/24/17/1075992417.db2.gz DHQMUYDNHOAPFG-CQSZACIVSA-N 1 2 402.451 1.176 20 0 HDADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)c(=O)[nH]c1=O ZINC000050274142 1075992421 /nfs/dbraw/zinc/99/24/21/1075992421.db2.gz DHQMUYDNHOAPFG-CQSZACIVSA-N 1 2 402.451 1.176 20 0 HDADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)C1 ZINC000052816102 1076029121 /nfs/dbraw/zinc/02/91/21/1076029121.db2.gz KMFUKYKAMWSKTB-NSHGMRRFSA-N 1 2 407.530 1.688 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)C1=O ZINC000733293578 1076040615 /nfs/dbraw/zinc/04/06/15/1076040615.db2.gz PZQZLISYHIBUED-OAQYLSRUSA-N 1 2 420.485 1.377 20 0 HDADLO COCCNC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@H](CO)C2)sc2c1CCCC2 ZINC000727102477 1076045100 /nfs/dbraw/zinc/04/51/00/1076045100.db2.gz CBWLTTCJOBVTRG-AWEZNQCLSA-N 1 2 409.552 1.646 20 0 HDADLO COCCNC(=O)c1c(NC(=O)C[N@H+]2CCC[C@H](CO)C2)sc2c1CCCC2 ZINC000727102477 1076045106 /nfs/dbraw/zinc/04/51/06/1076045106.db2.gz CBWLTTCJOBVTRG-AWEZNQCLSA-N 1 2 409.552 1.646 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000727105917 1076051613 /nfs/dbraw/zinc/05/16/13/1076051613.db2.gz DIRUPSQZBTXZRP-UHFFFAOYSA-N 1 2 412.515 1.916 20 0 HDADLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cn3c(=O)sc4c3CCCC4)CC2)C1 ZINC000727165222 1076066953 /nfs/dbraw/zinc/06/69/53/1076066953.db2.gz AETKMVPTNXFWNA-CALCHBBNSA-N 1 2 406.596 1.868 20 0 HDADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)C1=O ZINC000727167296 1076068069 /nfs/dbraw/zinc/06/80/69/1076068069.db2.gz LIZIMSQFMOZEDR-CQSZACIVSA-N 1 2 402.451 1.316 20 0 HDADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@H+]2CCC[C@H](CCC(N)=O)C2)C1=O ZINC000727167296 1076068080 /nfs/dbraw/zinc/06/80/80/1076068080.db2.gz LIZIMSQFMOZEDR-CQSZACIVSA-N 1 2 402.451 1.316 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000727158233 1076071386 /nfs/dbraw/zinc/07/13/86/1076071386.db2.gz IMEBIWZGZPRVFY-SCLBCKFNSA-N 1 2 404.467 1.428 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000727158233 1076071393 /nfs/dbraw/zinc/07/13/93/1076071393.db2.gz IMEBIWZGZPRVFY-SCLBCKFNSA-N 1 2 404.467 1.428 20 0 HDADLO CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)o1 ZINC000733586607 1076116981 /nfs/dbraw/zinc/11/69/81/1076116981.db2.gz QINVJJGZDFFJQA-UHFFFAOYSA-N 1 2 412.489 1.246 20 0 HDADLO CC(C)n1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)n1 ZINC000733587869 1076117259 /nfs/dbraw/zinc/11/72/59/1076117259.db2.gz DEDAQVPNLNWOTH-UHFFFAOYSA-N 1 2 412.490 1.900 20 0 HDADLO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000727412186 1076118497 /nfs/dbraw/zinc/11/84/97/1076118497.db2.gz BVVPJZDXLABOFJ-ZDUSSCGKSA-N 1 2 402.476 1.871 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](C(=O)OC)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000727435427 1076119315 /nfs/dbraw/zinc/11/93/15/1076119315.db2.gz VXNYCLCWWHZFOQ-MAUKXSAKSA-N 1 2 401.463 1.743 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCC[C@H](C(=O)OC)C2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000727435427 1076119320 /nfs/dbraw/zinc/11/93/20/1076119320.db2.gz VXNYCLCWWHZFOQ-MAUKXSAKSA-N 1 2 401.463 1.743 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OC)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000727435427 1076119324 /nfs/dbraw/zinc/11/93/24/1076119324.db2.gz VXNYCLCWWHZFOQ-MAUKXSAKSA-N 1 2 401.463 1.743 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OC)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000727435427 1076119331 /nfs/dbraw/zinc/11/93/31/1076119331.db2.gz VXNYCLCWWHZFOQ-MAUKXSAKSA-N 1 2 401.463 1.743 20 0 HDADLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCCO1 ZINC000727438167 1076120670 /nfs/dbraw/zinc/12/06/70/1076120670.db2.gz YKHUORORWRQSFU-MRXNPFEDSA-N 1 2 422.551 1.987 20 0 HDADLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCCO1 ZINC000727438167 1076120676 /nfs/dbraw/zinc/12/06/76/1076120676.db2.gz YKHUORORWRQSFU-MRXNPFEDSA-N 1 2 422.551 1.987 20 0 HDADLO Cc1sc2nc(CN3CC[NH+](CC(=O)N4CCCCC4)CC3)[nH]c(=O)c2c1C ZINC000022247089 1076123721 /nfs/dbraw/zinc/12/37/21/1076123721.db2.gz NLDXGUXZCGDWJE-UHFFFAOYSA-N 1 2 403.552 1.732 20 0 HDADLO Cc1nn(C)cc1C(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000733607200 1076133095 /nfs/dbraw/zinc/13/30/95/1076133095.db2.gz GUUFYHONKUYLCK-UHFFFAOYSA-N 1 2 400.483 1.456 20 0 HDADLO Cn1ncc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C(F)F ZINC000727569240 1076175077 /nfs/dbraw/zinc/17/50/77/1076175077.db2.gz WZSDHZABSWFOKD-UHFFFAOYSA-N 1 2 408.405 1.985 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000530466940 1076236091 /nfs/dbraw/zinc/23/60/91/1076236091.db2.gz PEQDWCVYYNGAFF-MRXNPFEDSA-N 1 2 421.906 1.985 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1 ZINC000530466940 1076236098 /nfs/dbraw/zinc/23/60/98/1076236098.db2.gz PEQDWCVYYNGAFF-MRXNPFEDSA-N 1 2 421.906 1.985 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)c2nn(-c3c(F)cccc3F)cc2C)CC1 ZINC001299319876 1076247929 /nfs/dbraw/zinc/24/79/29/1076247929.db2.gz YFWMCOIOKPMANR-UHFFFAOYSA-N 1 2 408.449 1.878 20 0 HDADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534584615 1076249222 /nfs/dbraw/zinc/24/92/22/1076249222.db2.gz OEUPBWWIEXQZIR-QGZVFWFLSA-N 1 2 423.502 1.626 20 0 HDADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534584615 1076249224 /nfs/dbraw/zinc/24/92/24/1076249224.db2.gz OEUPBWWIEXQZIR-QGZVFWFLSA-N 1 2 423.502 1.626 20 0 HDADLO COc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1C(=O)N(C)C ZINC000536022179 1076253803 /nfs/dbraw/zinc/25/38/03/1076253803.db2.gz GLTGCWHGYBFWCA-GOSISDBHSA-N 1 2 403.504 1.862 20 0 HDADLO COc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1C(=O)N(C)C ZINC000536022179 1076253807 /nfs/dbraw/zinc/25/38/07/1076253807.db2.gz GLTGCWHGYBFWCA-GOSISDBHSA-N 1 2 403.504 1.862 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(OCC(=O)N(C)C)c1 ZINC000536032896 1076254414 /nfs/dbraw/zinc/25/44/14/1076254414.db2.gz PKBRRNPXBRMVFH-LJQANCHMSA-N 1 2 424.501 1.703 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(OCC(=O)N(C)C)c1 ZINC000536032896 1076254420 /nfs/dbraw/zinc/25/44/20/1076254420.db2.gz PKBRRNPXBRMVFH-LJQANCHMSA-N 1 2 424.501 1.703 20 0 HDADLO Cn1ncc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1I ZINC000379165339 1076266405 /nfs/dbraw/zinc/26/64/05/1076266405.db2.gz LXIQLDRDXANUNT-UHFFFAOYSA-N 1 2 411.247 1.819 20 0 HDADLO COc1ncc(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cn1 ZINC000733914308 1076267766 /nfs/dbraw/zinc/26/77/66/1076267766.db2.gz DSYJANYNGMSCMR-UHFFFAOYSA-N 1 2 414.491 1.987 20 0 HDADLO O=C1NC2(CCOCC2)C(=O)N1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000727821999 1076267835 /nfs/dbraw/zinc/26/78/35/1076267835.db2.gz DORSWZHFMJOQBD-UHFFFAOYSA-N 1 2 412.450 1.370 20 0 HDADLO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)no1 ZINC000022843430 1076302996 /nfs/dbraw/zinc/30/29/96/1076302996.db2.gz YWGYAKFMXCFAGC-MRXNPFEDSA-N 1 2 408.886 1.632 20 0 HDADLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H]2C1 ZINC001083147348 1076303671 /nfs/dbraw/zinc/30/36/71/1076303671.db2.gz FOYODLPNPHJGIS-OFOKGCAXSA-N 1 2 402.539 1.999 20 0 HDADLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H]2C1 ZINC001083147348 1076303677 /nfs/dbraw/zinc/30/36/77/1076303677.db2.gz FOYODLPNPHJGIS-OFOKGCAXSA-N 1 2 402.539 1.999 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000728031703 1076312291 /nfs/dbraw/zinc/31/22/91/1076312291.db2.gz FSUYCKKGYVJJON-FQEVSTJZSA-N 1 2 421.501 1.460 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 ZINC000728031694 1076312334 /nfs/dbraw/zinc/31/23/34/1076312334.db2.gz DVSAMBYQCHQWGV-QGZVFWFLSA-N 1 2 421.501 1.678 20 0 HDADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 ZINC000728049274 1076319254 /nfs/dbraw/zinc/31/92/54/1076319254.db2.gz FDMNEISQENFEDC-OXQOHEQNSA-N 1 2 402.451 1.479 20 0 HDADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 ZINC000728049274 1076319258 /nfs/dbraw/zinc/31/92/58/1076319258.db2.gz FDMNEISQENFEDC-OXQOHEQNSA-N 1 2 402.451 1.479 20 0 HDADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCOCC1 ZINC000728135298 1076340048 /nfs/dbraw/zinc/34/00/48/1076340048.db2.gz OLKXCSYVHVKVGI-IBGZPJMESA-N 1 2 422.501 1.074 20 0 HDADLO CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000728143782 1076342967 /nfs/dbraw/zinc/34/29/67/1076342967.db2.gz RMABCIBZSMYQHH-UHFFFAOYSA-N 1 2 404.492 1.328 20 0 HDADLO Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000024219080 1076345166 /nfs/dbraw/zinc/34/51/66/1076345166.db2.gz UGSJJYJBDIWIFQ-NRFANRHFSA-N 1 2 414.510 1.278 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@H]1C1OCCO1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000728172287 1076364340 /nfs/dbraw/zinc/36/43/40/1076364340.db2.gz AEBBWFXVTVCVCA-IBGZPJMESA-N 1 2 407.555 1.901 20 0 HDADLO O=C(C[N@H+]1CCCC[C@H]1C1OCCO1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000728172287 1076364344 /nfs/dbraw/zinc/36/43/44/1076364344.db2.gz AEBBWFXVTVCVCA-IBGZPJMESA-N 1 2 407.555 1.901 20 0 HDADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000730096354 1076450014 /nfs/dbraw/zinc/45/00/14/1076450014.db2.gz PAOYCFBKUZCULA-UHFFFAOYSA-N 1 2 423.517 1.644 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[NH+]3CCC(N4CCCC4=O)CC3)C2=O)cc1 ZINC000730252925 1076498587 /nfs/dbraw/zinc/49/85/87/1076498587.db2.gz CFPSIWOMPYSMBR-JOCHJYFZSA-N 1 2 414.506 1.593 20 0 HDADLO CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000730314051 1076528316 /nfs/dbraw/zinc/52/83/16/1076528316.db2.gz ZGMUYHSKFVIDRA-KRWDZBQOSA-N 1 2 421.519 1.312 20 0 HDADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000730571906 1076607150 /nfs/dbraw/zinc/60/71/50/1076607150.db2.gz XSYOEDAKZYPJJJ-NSHDSACASA-N 1 2 408.496 1.445 20 0 HDADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000730571906 1076607160 /nfs/dbraw/zinc/60/71/60/1076607160.db2.gz XSYOEDAKZYPJJJ-NSHDSACASA-N 1 2 408.496 1.445 20 0 HDADLO C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730677794 1076635904 /nfs/dbraw/zinc/63/59/04/1076635904.db2.gz QJPCNKNBKAXHLJ-MRXNPFEDSA-N 1 2 408.518 1.821 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1sccc1S(=O)(=O)C(F)F ZINC000731006403 1076704497 /nfs/dbraw/zinc/70/44/97/1076704497.db2.gz DBEYEMBVUGSSDX-UHFFFAOYSA-N 1 2 420.463 1.525 20 0 HDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000328608107 569419333 /nfs/dbraw/zinc/41/93/33/569419333.db2.gz XZHDAPQNLGEXTR-HNNXBMFYSA-N 1 2 415.925 1.917 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4cccs4)ncn3)CC2)C1=O ZINC001164644932 719281520 /nfs/dbraw/zinc/28/15/20/719281520.db2.gz WZUKQPPPWFYRHJ-UHFFFAOYSA-N 1 2 401.536 1.965 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4cccs4)ncn3)CC2)C1=O ZINC001164644932 719281523 /nfs/dbraw/zinc/28/15/23/719281523.db2.gz WZUKQPPPWFYRHJ-UHFFFAOYSA-N 1 2 401.536 1.965 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1C(N)=O ZINC001164698648 719840867 /nfs/dbraw/zinc/84/08/67/719840867.db2.gz GMBBTDAYGPRMEJ-DJJJIMSYSA-N 1 2 410.902 1.375 20 0 HDADLO CCOC(=O)/C=C/c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701037 719840931 /nfs/dbraw/zinc/84/09/31/719840931.db2.gz LPEQKOXNZSYLNH-RPTXYRIKSA-N 1 2 417.506 1.891 20 0 HDADLO COC(=O)c1cc(Cl)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164700443 719845204 /nfs/dbraw/zinc/84/52/04/719845204.db2.gz KPUOUGKUWNYNLC-KUHUBIRLSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2[nH]c(C)nc21 ZINC001164706758 719848733 /nfs/dbraw/zinc/84/87/33/719848733.db2.gz YJSHULWCSVCAOK-XIKOKIGWSA-N 1 2 408.890 1.547 20 0 HDADLO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164699484 719853226 /nfs/dbraw/zinc/85/32/26/719853226.db2.gz FRCAFNDWJRZTFB-IERDGZPVSA-N 1 2 405.495 1.718 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2ccc(OC)cc2n1 ZINC001164699463 719854930 /nfs/dbraw/zinc/85/49/30/719854930.db2.gz FLWOPLDGJQLIMW-BTYIYWSLSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707780 719863454 /nfs/dbraw/zinc/86/34/54/719863454.db2.gz VILQFQXYXBUTGW-TYNOOCNWSA-N 1 2 417.506 1.809 20 0 HDADLO CCOCc1cnc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164699259 719864904 /nfs/dbraw/zinc/86/49/04/719864904.db2.gz BJLBTBVEOOSDPP-KXBFYZLASA-N 1 2 412.918 1.899 20 0 HDADLO CCCNC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164699093 719869197 /nfs/dbraw/zinc/86/91/97/719869197.db2.gz ADEMLVZKBKNQNT-UWJYYQICSA-N 1 2 404.511 1.454 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCSCC2)ncn1 ZINC001164708046 719874584 /nfs/dbraw/zinc/87/45/84/719874584.db2.gz XJCMLBJWLQGRDM-OXJNMPFZSA-N 1 2 421.567 1.263 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(ccn2C)c(OC)n1 ZINC001164707241 719877758 /nfs/dbraw/zinc/87/77/58/719877758.db2.gz RTMRTJYQDQUIKT-JLTOFOAXSA-N 1 2 403.483 1.210 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@@H](F)Oc1ccc(Cl)nn1 ZINC001164698434 719879576 /nfs/dbraw/zinc/87/95/76/719879576.db2.gz FPKKJGLIHOQQTD-JLZZUVOBSA-N 1 2 402.854 1.490 20 0 HDADLO Cc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2ccccc12 ZINC001164708907 719904953 /nfs/dbraw/zinc/90/49/53/719904953.db2.gz MWIZAZAHQGLORJ-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cccc(F)c31)CC2 ZINC001164709498 719910859 /nfs/dbraw/zinc/91/08/59/719910859.db2.gz WNPISZORFUXHKB-UHFFFAOYSA-N 1 2 409.469 1.453 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nncc3ccc(F)cc31)CC2 ZINC001164709015 719911426 /nfs/dbraw/zinc/91/14/26/719911426.db2.gz POTVUVQSGUJMSQ-UHFFFAOYSA-N 1 2 409.469 1.453 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)ncc1Cl)CC2 ZINC001164704821 719932818 /nfs/dbraw/zinc/93/28/18/719932818.db2.gz STVVRWSAQKMUAO-UHFFFAOYSA-N 1 2 410.309 1.467 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164709067 719934348 /nfs/dbraw/zinc/93/43/48/719934348.db2.gz XGXWGESNWCQNNG-UHFFFAOYSA-N 1 2 424.549 1.835 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164701802 719937106 /nfs/dbraw/zinc/93/71/06/719937106.db2.gz BYNDZEFCDHGEFB-UHFFFAOYSA-N 1 2 415.929 1.303 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Oc4ccccc4)ncn3)C2)C1 ZINC001164719806 720224856 /nfs/dbraw/zinc/22/48/56/720224856.db2.gz UPAIMCZHYUDCCP-JOCHJYFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Oc4ccccc4)ncn3)C2)C1 ZINC001164719806 720224861 /nfs/dbraw/zinc/22/48/61/720224861.db2.gz UPAIMCZHYUDCCP-JOCHJYFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cccnc3Cl)C2)C1 ZINC001164718533 720228183 /nfs/dbraw/zinc/22/81/83/720228183.db2.gz MZPSAWMEJLUOGW-QGZVFWFLSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3cccnc3Cl)C2)C1 ZINC001164718533 720228192 /nfs/dbraw/zinc/22/81/92/720228192.db2.gz MZPSAWMEJLUOGW-QGZVFWFLSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(nc3Cl)CCCC4)C2)C1 ZINC001164724976 720307820 /nfs/dbraw/zinc/30/78/20/720307820.db2.gz UGESGWSOVWNZFW-FQEVSTJZSA-N 1 2 407.946 1.674 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(nc3Cl)CCCC4)C2)C1 ZINC001164724976 720307824 /nfs/dbraw/zinc/30/78/24/720307824.db2.gz UGESGWSOVWNZFW-FQEVSTJZSA-N 1 2 407.946 1.674 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C2)C1 ZINC001164723336 720308561 /nfs/dbraw/zinc/30/85/61/720308561.db2.gz NQVACSHQQSUGOP-KRWDZBQOSA-N 1 2 418.872 1.183 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C2)C1 ZINC001164723336 720308566 /nfs/dbraw/zinc/30/85/66/720308566.db2.gz NQVACSHQQSUGOP-KRWDZBQOSA-N 1 2 418.872 1.183 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(N)=O)ccn4)CC3)C2=O)cs1 ZINC001164825563 720359690 /nfs/dbraw/zinc/35/96/90/720359690.db2.gz RAJCJIGCKUCMLT-UHFFFAOYSA-N 1 2 414.535 1.259 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(N)=O)ccn4)CC3)C2=O)cs1 ZINC001164825563 720359698 /nfs/dbraw/zinc/35/96/98/720359698.db2.gz RAJCJIGCKUCMLT-UHFFFAOYSA-N 1 2 414.535 1.259 20 0 HDADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(N(C)C)nn4)CC3)C2=O)cs1 ZINC001164824886 720359745 /nfs/dbraw/zinc/35/97/45/720359745.db2.gz PJZZHWWWMLUMOV-UHFFFAOYSA-N 1 2 415.567 1.621 20 0 HDADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(N(C)C)nn4)CC3)C2=O)cs1 ZINC001164824886 720359753 /nfs/dbraw/zinc/35/97/53/720359753.db2.gz PJZZHWWWMLUMOV-UHFFFAOYSA-N 1 2 415.567 1.621 20 0 HDADLO COc1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164825811 720367580 /nfs/dbraw/zinc/36/75/80/720367580.db2.gz VBSDOGGURMEMBN-UHFFFAOYSA-N 1 2 416.551 1.872 20 0 HDADLO COc1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164825811 720367583 /nfs/dbraw/zinc/36/75/83/720367583.db2.gz VBSDOGGURMEMBN-UHFFFAOYSA-N 1 2 416.551 1.872 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc3ccccc3n1)C2 ZINC001164821998 720427823 /nfs/dbraw/zinc/42/78/23/720427823.db2.gz AEWBVFNKNUWLIV-GOSISDBHSA-N 1 2 408.506 1.816 20 0 HDADLO CCOc1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822984 720429239 /nfs/dbraw/zinc/42/92/39/720429239.db2.gz FXVCYGBLTKXVJU-INIZCTEOSA-N 1 2 402.499 1.061 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cccnc31)C2 ZINC001164826980 720436084 /nfs/dbraw/zinc/43/60/84/720436084.db2.gz XNBMSGJZEQRFEP-MRXNPFEDSA-N 1 2 409.494 1.211 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cnccc31)C2 ZINC001164826282 720438515 /nfs/dbraw/zinc/43/85/15/720438515.db2.gz VLMUBTICVLVCGZ-MRXNPFEDSA-N 1 2 409.494 1.211 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nncc3ccccc31)C2 ZINC001164825595 720440695 /nfs/dbraw/zinc/44/06/95/720440695.db2.gz SMERTSITUAVRIP-SFHVURJKSA-N 1 2 408.506 1.816 20 0 HDADLO CCOc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164824051 720443935 /nfs/dbraw/zinc/44/39/35/720443935.db2.gz LNOKTZFCLMDJAF-KRWDZBQOSA-N 1 2 401.511 1.666 20 0 HDADLO CCOc1nccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833038 720456711 /nfs/dbraw/zinc/45/67/11/720456711.db2.gz WXXKXGXDLOTACJ-MRXNPFEDSA-N 1 2 402.499 1.061 20 0 HDADLO CSc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832295 720459195 /nfs/dbraw/zinc/45/91/95/720459195.db2.gz SUNFKILLBYOHET-HNNXBMFYSA-N 1 2 404.540 1.385 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc(Cl)cc1N)C2 ZINC001164829896 720468065 /nfs/dbraw/zinc/46/80/65/720468065.db2.gz HOOXCVLZXDEWFZ-AWEZNQCLSA-N 1 2 406.918 1.503 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc3ccccc3n1)C2 ZINC001164832673 720473737 /nfs/dbraw/zinc/47/37/37/720473737.db2.gz VKQWSBIPBRMVDP-INIZCTEOSA-N 1 2 409.494 1.211 20 0 HDADLO CCOc1cccnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164834479 720477813 /nfs/dbraw/zinc/47/78/13/720477813.db2.gz SLWPCKNJWHTAKE-KRWDZBQOSA-N 1 2 401.511 1.666 20 0 HDADLO Cc1cc2c(c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n1)C(=O)NC2=O ZINC001164892278 721431435 /nfs/dbraw/zinc/43/14/35/721431435.db2.gz HXADYZRUIJFNAV-ZHRRBRCNSA-N 1 2 413.522 1.039 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(N3CCOCC3)n1)C2 ZINC001165011444 721698725 /nfs/dbraw/zinc/69/87/25/721698725.db2.gz SUHJSVKKYMATCE-UHFFFAOYSA-N 1 2 421.937 1.204 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(N3CCOCC3)n1)C2 ZINC001165011444 721698732 /nfs/dbraw/zinc/69/87/32/721698732.db2.gz SUHJSVKKYMATCE-UHFFFAOYSA-N 1 2 421.937 1.204 20 0 HDADLO CC(C)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165009018 721714269 /nfs/dbraw/zinc/71/42/69/721714269.db2.gz NCARKBFKOBROFB-UHFFFAOYSA-N 1 2 421.571 1.610 20 0 HDADLO CC(C)NS(=O)(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165009018 721714278 /nfs/dbraw/zinc/71/42/78/721714278.db2.gz NCARKBFKOBROFB-UHFFFAOYSA-N 1 2 421.571 1.610 20 0 HDADLO CSc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164910159 721776381 /nfs/dbraw/zinc/77/63/81/721776381.db2.gz AHCUVWFQPXLWAL-GOSISDBHSA-N 1 2 422.942 1.750 20 0 HDADLO CSc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164910159 721776382 /nfs/dbraw/zinc/77/63/82/721776382.db2.gz AHCUVWFQPXLWAL-GOSISDBHSA-N 1 2 422.942 1.750 20 0 HDADLO CCOC(=O)c1nccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914104 721782214 /nfs/dbraw/zinc/78/22/14/721782214.db2.gz BUJBNINAGATTJV-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1nccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914104 721782216 /nfs/dbraw/zinc/78/22/16/721782216.db2.gz BUJBNINAGATTJV-NRFANRHFSA-N 1 2 413.478 1.156 20 0 HDADLO COc1cc(OC)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164916019 721782440 /nfs/dbraw/zinc/78/24/40/721782440.db2.gz NRVDVBSOPWRWNF-OAQYLSRUSA-N 1 2 400.479 1.602 20 0 HDADLO COc1cc(OC)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164916019 721782441 /nfs/dbraw/zinc/78/24/41/721782441.db2.gz NRVDVBSOPWRWNF-OAQYLSRUSA-N 1 2 400.479 1.602 20 0 HDADLO CN(C)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915172 721784778 /nfs/dbraw/zinc/78/47/78/721784778.db2.gz JIAUNXKMIGKAPW-FQEVSTJZSA-N 1 2 418.929 1.699 20 0 HDADLO CN(C)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915172 721784782 /nfs/dbraw/zinc/78/47/82/721784782.db2.gz JIAUNXKMIGKAPW-FQEVSTJZSA-N 1 2 418.929 1.699 20 0 HDADLO CCNC(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914137 721788319 /nfs/dbraw/zinc/78/83/19/721788319.db2.gz CAFROZKMERJKBB-QFIPXVFZSA-N 1 2 411.506 1.334 20 0 HDADLO CCNC(=O)c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914137 721788324 /nfs/dbraw/zinc/78/83/24/721788324.db2.gz CAFROZKMERJKBB-QFIPXVFZSA-N 1 2 411.506 1.334 20 0 HDADLO c1cncc(CN2CCOC[C@@]3(CN(c4nc(N5CCCCC5)cc[nH+]4)CCO3)C2)c1 ZINC001164914148 721788957 /nfs/dbraw/zinc/78/89/57/721788957.db2.gz CDIYACDCWJYLRJ-QHCPKHFHSA-N 1 2 424.549 1.970 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cncc(N5CCCCC5)n4)CCO3)C2)c1 ZINC001164915229 721790310 /nfs/dbraw/zinc/79/03/10/721790310.db2.gz KMXQSUNESUOSMJ-QHCPKHFHSA-N 1 2 424.549 1.970 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cncc(N5CCCCC5)n4)CCO3)C2)c1 ZINC001164915229 721790314 /nfs/dbraw/zinc/79/03/14/721790314.db2.gz KMXQSUNESUOSMJ-QHCPKHFHSA-N 1 2 424.549 1.970 20 0 HDADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1F ZINC001164946734 721972197 /nfs/dbraw/zinc/97/21/97/721972197.db2.gz VQHNQKBYTKOAFP-UHFFFAOYSA-N 1 2 412.465 1.978 20 0 HDADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1F ZINC001164946734 721972200 /nfs/dbraw/zinc/97/22/00/721972200.db2.gz VQHNQKBYTKOAFP-UHFFFAOYSA-N 1 2 412.465 1.978 20 0 HDADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164946973 721976404 /nfs/dbraw/zinc/97/64/04/721976404.db2.gz MQSAYLKGXAKBDA-UHFFFAOYSA-N 1 2 403.490 1.633 20 0 HDADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164946973 721976406 /nfs/dbraw/zinc/97/64/06/721976406.db2.gz MQSAYLKGXAKBDA-UHFFFAOYSA-N 1 2 403.490 1.633 20 0 HDADLO COc1ccccc1OC[C@H](C)CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671399312 1073504943 /nfs/dbraw/zinc/50/49/43/1073504943.db2.gz XNIQQDQKBXSXIL-QGZVFWFLSA-N 1 2 411.502 1.958 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000671398994 1073506823 /nfs/dbraw/zinc/50/68/23/1073506823.db2.gz PFLHYJGKRUIXAN-GOSISDBHSA-N 1 2 410.449 1.179 20 0 HDADLO C[C@@H](c1cccc(NC(=O)Nc2cnn(CC(=O)NCCO)c2)c1)[NH+]1CCOCC1 ZINC000429084039 1073533459 /nfs/dbraw/zinc/53/34/59/1073533459.db2.gz MEPVDDPPYOBLQS-HNNXBMFYSA-N 1 2 416.482 1.029 20 0 HDADLO CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000096967210 1073536807 /nfs/dbraw/zinc/53/68/07/1073536807.db2.gz KFONZOJRCWBGKD-INIZCTEOSA-N 1 2 414.506 1.768 20 0 HDADLO O=C(c1ccc(Cl)cc1Cl)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000509112957 1073562356 /nfs/dbraw/zinc/56/23/56/1073562356.db2.gz RHFBQMGXMOYRFW-OAHLLOKOSA-N 1 2 402.322 1.444 20 0 HDADLO Cc1cc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000673657929 1073599394 /nfs/dbraw/zinc/59/93/94/1073599394.db2.gz FYHOVWDGRXLDFQ-UHFFFAOYSA-N 1 2 417.535 1.536 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccccn1 ZINC000509123854 1073602477 /nfs/dbraw/zinc/60/24/77/1073602477.db2.gz LUDOQMZCBZWVIG-NRFANRHFSA-N 1 2 416.547 1.855 20 0 HDADLO COc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)cc1 ZINC000673673003 1073628027 /nfs/dbraw/zinc/62/80/27/1073628027.db2.gz ORXGKURRYWXLFC-RTWAWAEBSA-N 1 2 408.502 1.972 20 0 HDADLO COc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2=O)cc1 ZINC000673673003 1073628031 /nfs/dbraw/zinc/62/80/31/1073628031.db2.gz ORXGKURRYWXLFC-RTWAWAEBSA-N 1 2 408.502 1.972 20 0 HDADLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000673710406 1073650133 /nfs/dbraw/zinc/65/01/33/1073650133.db2.gz ZPTDOVUPNAOYJC-BDTNDASRSA-N 1 2 416.566 1.873 20 0 HDADLO O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000429117933 1073683764 /nfs/dbraw/zinc/68/37/64/1073683764.db2.gz WCEARBDQURMDNU-GGPKGHCWSA-N 1 2 418.563 1.762 20 0 HDADLO O=C(NCCCn1cc[nH+]c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000509133528 1073687056 /nfs/dbraw/zinc/68/70/56/1073687056.db2.gz ZMRSEWLKJGWUSS-UHFFFAOYSA-N 1 2 401.496 1.912 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1ccccn1 ZINC000509134231 1073692373 /nfs/dbraw/zinc/69/23/73/1073692373.db2.gz CMZFLHMVHTVQAZ-IBGZPJMESA-N 1 2 420.491 1.044 20 0 HDADLO CCCS(=O)(=O)NC1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673774747 1073709077 /nfs/dbraw/zinc/70/90/77/1073709077.db2.gz BRVOQRYSPFLLFH-UHFFFAOYSA-N 1 2 407.540 1.689 20 0 HDADLO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781665 1073715693 /nfs/dbraw/zinc/71/56/93/1073715693.db2.gz DKAFTGNYDLCHGR-OALUTQOASA-N 1 2 403.479 1.116 20 0 HDADLO CC(=O)N1CCCc2cc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC000673781954 1073719976 /nfs/dbraw/zinc/71/99/76/1073719976.db2.gz LFHFNIDCEPBHHE-LJQANCHMSA-N 1 2 414.506 1.247 20 0 HDADLO O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783675 1073721058 /nfs/dbraw/zinc/72/10/58/1073721058.db2.gz GPDHORIHSKTMFN-OAHLLOKOSA-N 1 2 401.385 1.847 20 0 HDADLO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783378 1073721743 /nfs/dbraw/zinc/72/17/43/1073721743.db2.gz UAVISTUTFBHQCS-IBGZPJMESA-N 1 2 416.522 1.093 20 0 HDADLO CCn1cnnc1-c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673784273 1073724964 /nfs/dbraw/zinc/72/49/64/1073724964.db2.gz IKBAQZPDRRHXQK-GOSISDBHSA-N 1 2 412.494 1.227 20 0 HDADLO O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784274 1073725023 /nfs/dbraw/zinc/72/50/23/1073725023.db2.gz YQHSKPUJDQGSNR-SFHVURJKSA-N 1 2 424.505 1.611 20 0 HDADLO O=C(Nc1ccc(OCc2ccccc2)nc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785244 1073727725 /nfs/dbraw/zinc/72/77/25/1073727725.db2.gz PJGSUEPOJIOJAX-FQEVSTJZSA-N 1 2 424.501 1.922 20 0 HDADLO O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785348 1073728905 /nfs/dbraw/zinc/72/89/05/1073728905.db2.gz QYSJZUULERIQRP-WOJBJXKFSA-N 1 2 417.506 1.506 20 0 HDADLO O=C(Nc1ccc(OC(F)F)c(F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785019 1073729904 /nfs/dbraw/zinc/72/99/04/1073729904.db2.gz MTLPBXPTFKQGFV-CYBMUJFWSA-N 1 2 401.385 1.689 20 0 HDADLO COCCCNC(=O)C1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673776029 1073732966 /nfs/dbraw/zinc/73/29/66/1073732966.db2.gz FFLYGZBBYKXMTL-UHFFFAOYSA-N 1 2 401.511 1.760 20 0 HDADLO COC(=O)[C@@H](NC(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(C)C ZINC000429133029 1073736626 /nfs/dbraw/zinc/73/66/26/1073736626.db2.gz GNEQBHWHYBWKKN-SFHVURJKSA-N 1 2 410.540 1.270 20 0 HDADLO COC(=O)[C@@H](NC(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1)C(C)C ZINC000429133029 1073736635 /nfs/dbraw/zinc/73/66/35/1073736635.db2.gz GNEQBHWHYBWKKN-SFHVURJKSA-N 1 2 410.540 1.270 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(OCC(=O)N(C)C)c3)[nH+]c12 ZINC000673787812 1073741177 /nfs/dbraw/zinc/74/11/77/1073741177.db2.gz BBNAJZJXUOEENX-UHFFFAOYSA-N 1 2 423.473 1.407 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)[nH+]c12 ZINC000673787996 1073743024 /nfs/dbraw/zinc/74/30/24/1073743024.db2.gz FEOWLOCQGOAFEY-UHFFFAOYSA-N 1 2 403.446 1.580 20 0 HDADLO COCCn1ncc2ccc(NC(=O)C(=O)NCCc3cn4cccc(C)c4[nH+]3)cc21 ZINC000673788900 1073745049 /nfs/dbraw/zinc/74/50/49/1073745049.db2.gz QDBKAIYJTVQNGK-UHFFFAOYSA-N 1 2 420.473 1.936 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CCCN1c1ncccn1 ZINC000673816373 1073760660 /nfs/dbraw/zinc/76/06/60/1073760660.db2.gz CITHUFMLBCXDSQ-FQEVSTJZSA-N 1 2 411.506 1.473 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429150909 1073791327 /nfs/dbraw/zinc/79/13/27/1073791327.db2.gz PYSDHDDZVUDYRR-INIZCTEOSA-N 1 2 404.511 1.780 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000673859057 1073827566 /nfs/dbraw/zinc/82/75/66/1073827566.db2.gz FAYJVJZSSBFQQM-UHFFFAOYSA-N 1 2 415.498 1.033 20 0 HDADLO Cc1cccc(C)c1OC[C@H](O)CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872798 1073837532 /nfs/dbraw/zinc/83/75/32/1073837532.db2.gz YXULEAGOTOYLSH-LJQANCHMSA-N 1 2 417.510 1.394 20 0 HDADLO COc1cccc2c1OC[C@H](NC(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C2 ZINC000673871911 1073839325 /nfs/dbraw/zinc/83/93/25/1073839325.db2.gz GCYBMPCOHSEJGX-MRXNPFEDSA-N 1 2 401.467 1.349 20 0 HDADLO CN(C)c1nc(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000673877014 1073849411 /nfs/dbraw/zinc/84/94/11/1073849411.db2.gz MLMWBISFHIRDQX-UHFFFAOYSA-N 1 2 417.539 1.142 20 0 HDADLO CC(C)(C)OC(=O)NC1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCCCC1 ZINC000766042023 1073903607 /nfs/dbraw/zinc/90/36/07/1073903607.db2.gz DLAJZUZVNKJSDZ-UHFFFAOYSA-N 1 2 419.588 1.856 20 0 HDADLO CC(C)CN(C(=O)C[N@H+](C)Cc1cn[nH]c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000673927378 1073907420 /nfs/dbraw/zinc/90/74/20/1073907420.db2.gz XREBMFLKINNBBN-UHFFFAOYSA-N 1 2 405.503 1.031 20 0 HDADLO CC(C)CN(C(=O)C[N@@H+](C)Cc1cn[nH]c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000673927378 1073907427 /nfs/dbraw/zinc/90/74/27/1073907427.db2.gz XREBMFLKINNBBN-UHFFFAOYSA-N 1 2 405.503 1.031 20 0 HDADLO CCCCN(C(=O)C[N@H+](C)Cc1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000030276287 1073923416 /nfs/dbraw/zinc/92/34/16/1073923416.db2.gz VKAGFSSVYZPACM-UHFFFAOYSA-N 1 2 405.499 1.633 20 0 HDADLO CCCCN(C(=O)C[N@@H+](C)Cc1ccco1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000030276287 1073923419 /nfs/dbraw/zinc/92/34/19/1073923419.db2.gz VKAGFSSVYZPACM-UHFFFAOYSA-N 1 2 405.499 1.633 20 0 HDADLO CC(C)C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)[NH+]1CCOCC1 ZINC000026065803 1073929437 /nfs/dbraw/zinc/92/94/37/1073929437.db2.gz LANSNSQENSRGAR-HNNXBMFYSA-N 1 2 417.597 1.317 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCOC3)nnc2N(C)CCOC)nc[nH+]1 ZINC001299289730 1073934180 /nfs/dbraw/zinc/93/41/80/1073934180.db2.gz BRZMFFHDANIYRU-JKSUJKDBSA-N 1 2 416.530 1.365 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c([C@H]3CCOC3)nnc2N(C)CCOC)[nH+]cn1 ZINC001299289730 1073934184 /nfs/dbraw/zinc/93/41/84/1073934184.db2.gz BRZMFFHDANIYRU-JKSUJKDBSA-N 1 2 416.530 1.365 20 0 HDADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000429176369 1073951569 /nfs/dbraw/zinc/95/15/69/1073951569.db2.gz WWPXFIFSJLFBNT-ROUUACIJSA-N 1 2 420.539 1.243 20 0 HDADLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc2[nH+]ccn21 ZINC001005046303 1073984361 /nfs/dbraw/zinc/98/43/61/1073984361.db2.gz QAHWLOPSDDANRF-HBPKQKSZSA-N 1 2 404.474 1.733 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000509190066 1074006650 /nfs/dbraw/zinc/00/66/50/1074006650.db2.gz LQSITWPBQGIRMW-UHFFFAOYSA-N 1 2 414.553 1.624 20 0 HDADLO CC(C)(C)OC(=O)NCC1(NS(=O)(=O)CCC[NH+]2CCOCC2)CCCC1 ZINC000766048343 1074036411 /nfs/dbraw/zinc/03/64/11/1074036411.db2.gz GZBADMFWIGSIQB-UHFFFAOYSA-N 1 2 405.561 1.466 20 0 HDADLO O=C(Cc1cc(Cl)cc2c1OCC2)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000543539393 1074048324 /nfs/dbraw/zinc/04/83/24/1074048324.db2.gz ANQVYBZLYULPEG-UHFFFAOYSA-N 1 2 401.898 1.546 20 0 HDADLO O=C(CCNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC001626093132 1074071832 /nfs/dbraw/zinc/07/18/32/1074071832.db2.gz IYDJXOKFUGAWHO-UHFFFAOYSA-N 1 2 423.395 1.670 20 0 HDADLO C[C@@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)n1ccc(C(F)(F)F)n1 ZINC001626094164 1074080335 /nfs/dbraw/zinc/08/03/35/1074080335.db2.gz SLMJSGRNGKLYML-AWEZNQCLSA-N 1 2 424.427 1.713 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)ccc1F ZINC000674023228 1074081621 /nfs/dbraw/zinc/08/16/21/1074081621.db2.gz FPLAEKDGNPTBAH-CQSZACIVSA-N 1 2 410.508 1.484 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cccc1F ZINC000674024856 1074082503 /nfs/dbraw/zinc/08/25/03/1074082503.db2.gz RESSRPHONUDHIY-CYBMUJFWSA-N 1 2 410.508 1.484 20 0 HDADLO CC(C)(CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000674029232 1074097324 /nfs/dbraw/zinc/09/73/24/1074097324.db2.gz KVZRYTFKOQBXIS-UHFFFAOYSA-N 1 2 413.540 1.020 20 0 HDADLO O=C(N[C@@H]1CNC(=O)C1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000543567505 1074120159 /nfs/dbraw/zinc/12/01/59/1074120159.db2.gz SOWDBZWNKLOVHR-KRWDZBQOSA-N 1 2 413.909 1.676 20 0 HDADLO O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000674095610 1074181819 /nfs/dbraw/zinc/18/18/19/1074181819.db2.gz GDXPZVKQOJQIKJ-UHFFFAOYSA-N 1 2 402.886 1.516 20 0 HDADLO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000484995551 1074183328 /nfs/dbraw/zinc/18/33/28/1074183328.db2.gz MBGQMZXAFMVQPT-KRWDZBQOSA-N 1 2 409.552 1.566 20 0 HDADLO Cc1cc(C)c(NC(=O)CCC[N@H+](C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000484995551 1074183332 /nfs/dbraw/zinc/18/33/32/1074183332.db2.gz MBGQMZXAFMVQPT-KRWDZBQOSA-N 1 2 409.552 1.566 20 0 HDADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000674192653 1074206235 /nfs/dbraw/zinc/20/62/35/1074206235.db2.gz HVAWZBZQNKSUSN-UHFFFAOYSA-N 1 2 405.462 1.431 20 0 HDADLO O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202262 1074218542 /nfs/dbraw/zinc/21/85/42/1074218542.db2.gz QDUSKQADTWIHBU-QGZVFWFLSA-N 1 2 409.446 1.334 20 0 HDADLO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674205376 1074221697 /nfs/dbraw/zinc/22/16/97/1074221697.db2.gz ZTQPABWCNDTJED-GOSISDBHSA-N 1 2 411.462 1.158 20 0 HDADLO Cc1ccccc1[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000674225399 1074233910 /nfs/dbraw/zinc/23/39/10/1074233910.db2.gz VCFNXMKLOGENPL-FQEVSTJZSA-N 1 2 424.501 1.171 20 0 HDADLO COCCNC(=O)CN1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000674275487 1074254860 /nfs/dbraw/zinc/25/48/60/1074254860.db2.gz KDZZJTILNULDSM-CQSZACIVSA-N 1 2 420.337 1.113 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000038530806 1074284528 /nfs/dbraw/zinc/28/45/28/1074284528.db2.gz ZZHCIPWXQBEPAY-UHFFFAOYSA-N 1 2 409.537 1.194 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000038530806 1074284535 /nfs/dbraw/zinc/28/45/35/1074284535.db2.gz ZZHCIPWXQBEPAY-UHFFFAOYSA-N 1 2 409.537 1.194 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000674427810 1074330671 /nfs/dbraw/zinc/33/06/71/1074330671.db2.gz RPBGHQIXEOVRSQ-VLIAUNLRSA-N 1 2 400.483 1.070 20 0 HDADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674437930 1074335681 /nfs/dbraw/zinc/33/56/81/1074335681.db2.gz FTHPLPGTUOXYOC-CEQIKUNHSA-N 1 2 414.510 1.190 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2COC)c1 ZINC000674467325 1074365375 /nfs/dbraw/zinc/36/53/75/1074365375.db2.gz RDMYLHDUYCLJEY-OAHLLOKOSA-N 1 2 413.540 1.775 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2COC)c1 ZINC000674467325 1074365382 /nfs/dbraw/zinc/36/53/82/1074365382.db2.gz RDMYLHDUYCLJEY-OAHLLOKOSA-N 1 2 413.540 1.775 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000674468464 1074366420 /nfs/dbraw/zinc/36/64/20/1074366420.db2.gz OXFTUMUZFQPWJO-CYBMUJFWSA-N 1 2 409.372 1.149 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000674468464 1074366428 /nfs/dbraw/zinc/36/64/28/1074366428.db2.gz OXFTUMUZFQPWJO-CYBMUJFWSA-N 1 2 409.372 1.149 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674502285 1074396412 /nfs/dbraw/zinc/39/64/12/1074396412.db2.gz SBYKSPJBIANVPN-PBHICJAKSA-N 1 2 413.478 1.109 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674502285 1074396427 /nfs/dbraw/zinc/39/64/27/1074396427.db2.gz SBYKSPJBIANVPN-PBHICJAKSA-N 1 2 413.478 1.109 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674502289 1074396633 /nfs/dbraw/zinc/39/66/33/1074396633.db2.gz SBYKSPJBIANVPN-WMLDXEAASA-N 1 2 413.478 1.109 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674502289 1074396641 /nfs/dbraw/zinc/39/66/41/1074396641.db2.gz SBYKSPJBIANVPN-WMLDXEAASA-N 1 2 413.478 1.109 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N3CCC(OCc4ccccc4)CC3)CCN2C1=O ZINC000674502721 1074399234 /nfs/dbraw/zinc/39/92/34/1074399234.db2.gz ZUTFLOGHJIPOJX-IBGZPJMESA-N 1 2 414.506 1.163 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N3CCC(OCc4ccccc4)CC3)CCN2C1=O ZINC000674502721 1074399242 /nfs/dbraw/zinc/39/92/42/1074399242.db2.gz ZUTFLOGHJIPOJX-IBGZPJMESA-N 1 2 414.506 1.163 20 0 HDADLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000674495173 1074404569 /nfs/dbraw/zinc/40/45/69/1074404569.db2.gz DCCYUYGTMGDFSL-CABCVRRESA-N 1 2 413.540 1.237 20 0 HDADLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)c1 ZINC000674495173 1074404573 /nfs/dbraw/zinc/40/45/73/1074404573.db2.gz DCCYUYGTMGDFSL-CABCVRRESA-N 1 2 413.540 1.237 20 0 HDADLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496065 1074406475 /nfs/dbraw/zinc/40/64/75/1074406475.db2.gz QUEKYSZVOFSLEU-XQBPLPMBSA-N 1 2 409.486 1.800 20 0 HDADLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674496065 1074406483 /nfs/dbraw/zinc/40/64/83/1074406483.db2.gz QUEKYSZVOFSLEU-XQBPLPMBSA-N 1 2 409.486 1.800 20 0 HDADLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCN2CCCS2(=O)=O)C[C@@H](C)O1 ZINC000674554933 1074437679 /nfs/dbraw/zinc/43/76/79/1074437679.db2.gz AWXNZDPBOJMGAD-IAGOWNOFSA-N 1 2 424.567 1.795 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1=O ZINC000674581494 1074457895 /nfs/dbraw/zinc/45/78/95/1074457895.db2.gz RIQPJSYLDUJOCI-WWMYMODYSA-N 1 2 416.547 1.613 20 0 HDADLO CCn1nc2c(cc1=O)CN(C(=O)c1cccc(NC(=O)CCn3cc[nH+]c3)c1)CC2 ZINC000674592393 1074469941 /nfs/dbraw/zinc/46/99/41/1074469941.db2.gz MHJGVEUREIYTRF-UHFFFAOYSA-N 1 2 420.473 1.687 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)c3cccc(NC(=O)CCn4cc[nH+]c4)c3)CCN2C1=O ZINC000674594547 1074473214 /nfs/dbraw/zinc/47/32/14/1074473214.db2.gz MWNLSRXNHDIWGY-KRWDZBQOSA-N 1 2 424.461 1.020 20 0 HDADLO COC[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000674628385 1074492817 /nfs/dbraw/zinc/49/28/17/1074492817.db2.gz QXXUKPUMDURWSW-SJORKVTESA-N 1 2 404.515 1.102 20 0 HDADLO COC[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000674628385 1074492821 /nfs/dbraw/zinc/49/28/21/1074492821.db2.gz QXXUKPUMDURWSW-SJORKVTESA-N 1 2 404.515 1.102 20 0 HDADLO O=C(CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)OCc1ccccc1 ZINC000766064331 1074529988 /nfs/dbraw/zinc/52/99/88/1074529988.db2.gz JHQDCFMBHSTXEQ-UHFFFAOYSA-N 1 2 401.467 1.470 20 0 HDADLO C[C@@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000674732810 1074542501 /nfs/dbraw/zinc/54/25/01/1074542501.db2.gz RGBFEKDIQOHMNW-OAGGEKHMSA-N 1 2 400.516 1.994 20 0 HDADLO C[C@@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000674732813 1074542851 /nfs/dbraw/zinc/54/28/51/1074542851.db2.gz RGBFEKDIQOHMNW-XHSDSOJGSA-N 1 2 400.516 1.994 20 0 HDADLO C[C@@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000674732813 1074542852 /nfs/dbraw/zinc/54/28/52/1074542852.db2.gz RGBFEKDIQOHMNW-XHSDSOJGSA-N 1 2 400.516 1.994 20 0 HDADLO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000674819823 1074585139 /nfs/dbraw/zinc/58/51/39/1074585139.db2.gz DDVJKYMXDXNANK-WOJBJXKFSA-N 1 2 414.550 1.424 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674919656 1074621042 /nfs/dbraw/zinc/62/10/42/1074621042.db2.gz BPXWTJSILYUPKB-RTWAWAEBSA-N 1 2 419.522 1.487 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000674991152 1074665156 /nfs/dbraw/zinc/66/51/56/1074665156.db2.gz AIBIEMCTFURVNF-UHFFFAOYSA-N 1 2 408.380 1.481 20 0 HDADLO CC[NH+]1CCN([C@H]2CCN(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)C2)CC1 ZINC000543614341 1074712876 /nfs/dbraw/zinc/71/28/76/1074712876.db2.gz LFMIKJHJMIQXEI-INIZCTEOSA-N 1 2 416.551 1.879 20 0 HDADLO C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(=O)N1CCCC[C@@H]1C ZINC000543614521 1074724229 /nfs/dbraw/zinc/72/42/29/1074724229.db2.gz FRCKTODANCXXLK-HOTGVXAUSA-N 1 2 416.526 1.380 20 0 HDADLO CN(c1ccccc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)S(C)(=O)=O ZINC000675124459 1074726077 /nfs/dbraw/zinc/72/60/77/1074726077.db2.gz TVWXCGWOBMCISY-UHFFFAOYSA-N 1 2 416.503 1.153 20 0 HDADLO COC1CCC(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000429320334 1074736929 /nfs/dbraw/zinc/73/69/29/1074736929.db2.gz VGXXTGNSHILCDD-UHFFFAOYSA-N 1 2 418.542 1.350 20 0 HDADLO COC1CCC(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000429320334 1074736935 /nfs/dbraw/zinc/73/69/35/1074736935.db2.gz VGXXTGNSHILCDD-UHFFFAOYSA-N 1 2 418.542 1.350 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000509239929 1074746247 /nfs/dbraw/zinc/74/62/47/1074746247.db2.gz KRKYCBLXUBPOQD-UHFFFAOYSA-N 1 2 401.554 1.257 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000509239929 1074746256 /nfs/dbraw/zinc/74/62/56/1074746256.db2.gz KRKYCBLXUBPOQD-UHFFFAOYSA-N 1 2 401.554 1.257 20 0 HDADLO CC(C)Oc1ccc(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cn1 ZINC000543614712 1074752648 /nfs/dbraw/zinc/75/26/48/1074752648.db2.gz IIJACIUXEXKKQL-UHFFFAOYSA-N 1 2 412.494 1.973 20 0 HDADLO CCc1ccccc1-n1cnnc1SCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218808 1074760171 /nfs/dbraw/zinc/76/01/71/1074760171.db2.gz BUIOQKHZKRPZFH-QGZVFWFLSA-N 1 2 401.536 1.855 20 0 HDADLO CC[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000675218507 1074761023 /nfs/dbraw/zinc/76/10/23/1074761023.db2.gz LCTRQPRCQOSREK-SJORKVTESA-N 1 2 404.902 1.878 20 0 HDADLO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219231 1074761391 /nfs/dbraw/zinc/76/13/91/1074761391.db2.gz IMDQJOCASDZUFO-OAHLLOKOSA-N 1 2 413.565 1.008 20 0 HDADLO COC(=O)C1(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCCCC1 ZINC000543617009 1074762407 /nfs/dbraw/zinc/76/24/07/1074762407.db2.gz QMVTVURIJAGUNU-UHFFFAOYSA-N 1 2 417.510 1.714 20 0 HDADLO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219478 1074762704 /nfs/dbraw/zinc/76/27/04/1074762704.db2.gz CBPFZQFBIZPLJK-SJORKVTESA-N 1 2 422.323 1.735 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000675252284 1074778399 /nfs/dbraw/zinc/77/83/99/1074778399.db2.gz XYUVFLPISYKDPV-IFXJQAMLSA-N 1 2 401.486 1.998 20 0 HDADLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000675252284 1074778409 /nfs/dbraw/zinc/77/84/09/1074778409.db2.gz XYUVFLPISYKDPV-IFXJQAMLSA-N 1 2 401.486 1.998 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000675252286 1074778555 /nfs/dbraw/zinc/77/85/55/1074778555.db2.gz XYUVFLPISYKDPV-KUHUBIRLSA-N 1 2 401.486 1.998 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000675252286 1074778564 /nfs/dbraw/zinc/77/85/64/1074778564.db2.gz XYUVFLPISYKDPV-KUHUBIRLSA-N 1 2 401.486 1.998 20 0 HDADLO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280369 1074785559 /nfs/dbraw/zinc/78/55/59/1074785559.db2.gz CXTPAHINBLJCTP-WIYYLYMNSA-N 1 2 412.534 1.784 20 0 HDADLO O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675281274 1074786163 /nfs/dbraw/zinc/78/61/63/1074786163.db2.gz NMEGHPYTBAMUOC-KRWDZBQOSA-N 1 2 400.504 1.871 20 0 HDADLO C[C@H](C[C@H]1CCOC1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675313175 1074801906 /nfs/dbraw/zinc/80/19/06/1074801906.db2.gz CAHOIOMPTLMGMB-KURKYZTESA-N 1 2 418.542 1.396 20 0 HDADLO C[C@H](C[C@H]1CCOC1)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675313175 1074801913 /nfs/dbraw/zinc/80/19/13/1074801913.db2.gz CAHOIOMPTLMGMB-KURKYZTESA-N 1 2 418.542 1.396 20 0 HDADLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000522828692 1075097699 /nfs/dbraw/zinc/09/76/99/1075097699.db2.gz VYCSINYPKBJFAD-ZWKOTPCHSA-N 1 2 420.558 1.764 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Br)nc2)CC1 ZINC000766161678 1075109434 /nfs/dbraw/zinc/10/94/34/1075109434.db2.gz IAOJQLRYAREGFW-UHFFFAOYSA-N 1 2 405.318 1.475 20 0 HDADLO COC(=O)[C@@H](CC(C)C)[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000509330103 1075116629 /nfs/dbraw/zinc/11/66/29/1075116629.db2.gz DINYUCFFJSKDJU-LJQANCHMSA-N 1 2 411.568 1.479 20 0 HDADLO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@H](NS(C)(=O)=O)C3)ccc2c1 ZINC000041622026 1075117773 /nfs/dbraw/zinc/11/77/73/1075117773.db2.gz GFIVEXJAMPSRSO-IBGZPJMESA-N 1 2 419.547 1.820 20 0 HDADLO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@H](NS(C)(=O)=O)C3)ccc2c1 ZINC000041622026 1075117776 /nfs/dbraw/zinc/11/77/76/1075117776.db2.gz GFIVEXJAMPSRSO-IBGZPJMESA-N 1 2 419.547 1.820 20 0 HDADLO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000675397758 1075124200 /nfs/dbraw/zinc/12/42/00/1075124200.db2.gz RCDHKTQZGPTGIT-HKUYNNGSSA-N 1 2 411.506 1.754 20 0 HDADLO O=C(Nc1cc(F)ccc1OC(F)F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675396807 1075125960 /nfs/dbraw/zinc/12/59/60/1075125960.db2.gz HRCKSMQLHVFCLQ-CYBMUJFWSA-N 1 2 401.385 1.689 20 0 HDADLO O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675403629 1075128982 /nfs/dbraw/zinc/12/89/82/1075128982.db2.gz SFCGHRVXIMWJGR-OAHLLOKOSA-N 1 2 407.833 1.104 20 0 HDADLO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000578794912 1075150081 /nfs/dbraw/zinc/15/00/81/1075150081.db2.gz HGVNFNQKQALHHP-UHFFFAOYSA-N 1 2 415.251 1.812 20 0 HDADLO CS(=O)(=O)C1CCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000675479416 1075170702 /nfs/dbraw/zinc/17/07/02/1075170702.db2.gz DOVROZGOMZRULQ-UHFFFAOYSA-N 1 2 422.551 1.308 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443933946 1075187803 /nfs/dbraw/zinc/18/78/03/1075187803.db2.gz BFBGGPYWUOKXAC-INIZCTEOSA-N 1 2 419.913 2.554 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000554474506 1075188974 /nfs/dbraw/zinc/18/89/74/1075188974.db2.gz CYLACKZKDAUXIT-QGZVFWFLSA-N 1 2 407.902 2.114 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(COc2ccccc2F)on1 ZINC000466431976 1075190795 /nfs/dbraw/zinc/19/07/95/1075190795.db2.gz STVSIHOVORHJSL-UHFFFAOYSA-N 1 2 415.425 2.174 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000596042006 1075192177 /nfs/dbraw/zinc/19/21/77/1075192177.db2.gz OUBMVQRLHQLASM-UHFFFAOYSA-N 1 2 406.490 2.142 20 0 HDADLO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000446687229 1075194526 /nfs/dbraw/zinc/19/45/26/1075194526.db2.gz HCGYVWSCLHJNJZ-UHFFFAOYSA-N 1 2 401.430 2.284 20 0 HDADLO CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605281 1075221521 /nfs/dbraw/zinc/22/15/21/1075221521.db2.gz LOIBARCPZPWUBS-INIZCTEOSA-N 1 2 401.486 1.958 20 0 HDADLO CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605281 1075221529 /nfs/dbraw/zinc/22/15/29/1075221529.db2.gz LOIBARCPZPWUBS-INIZCTEOSA-N 1 2 401.486 1.958 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675593680 1075232224 /nfs/dbraw/zinc/23/22/24/1075232224.db2.gz SECSCWMBIXCMHL-YLJYHZDGSA-N 1 2 411.506 1.734 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675593680 1075232228 /nfs/dbraw/zinc/23/22/28/1075232228.db2.gz SECSCWMBIXCMHL-YLJYHZDGSA-N 1 2 411.506 1.734 20 0 HDADLO CCNc1nc(N2CCC(C(=O)Nc3cc(C)on3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000561146082 1075238631 /nfs/dbraw/zinc/23/86/31/1075238631.db2.gz PZYQZZLWHHUKDX-UHFFFAOYSA-N 1 2 402.503 2.087 20 0 HDADLO CCN1CCc2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)cc21 ZINC000675702191 1075256858 /nfs/dbraw/zinc/25/68/58/1075256858.db2.gz XSFOEOVRBXSMEM-RBUKOAKNSA-N 1 2 400.523 1.767 20 0 HDADLO COCCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675701872 1075257172 /nfs/dbraw/zinc/25/71/72/1075257172.db2.gz GHMNKHQEGNSNIW-SJLPKXTDSA-N 1 2 405.495 1.410 20 0 HDADLO COc1ccc2oc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2c1 ZINC000509366665 1075266710 /nfs/dbraw/zinc/26/67/10/1075266710.db2.gz PCYACAWRPAGLKQ-UHFFFAOYSA-N 1 2 408.524 1.051 20 0 HDADLO Cc1ccnc(NC(=O)CN(C)C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000675777533 1075269793 /nfs/dbraw/zinc/26/97/93/1075269793.db2.gz XOFCQKURMXILJF-UHFFFAOYSA-N 1 2 424.505 1.311 20 0 HDADLO O=C(CCC(=O)N1CCOC[C@@H]1C(F)(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000675803509 1075273089 /nfs/dbraw/zinc/27/30/89/1075273089.db2.gz DCISFEUNWCEFAY-CQSZACIVSA-N 1 2 400.401 1.300 20 0 HDADLO O=C(CCC(=O)N1CCO[C@H](C(F)(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000675804286 1075273792 /nfs/dbraw/zinc/27/37/92/1075273792.db2.gz UBFKUBGOYPHKSR-AWEZNQCLSA-N 1 2 400.401 1.300 20 0 HDADLO O=C(CN1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1)N1CCOCC1 ZINC000466704954 1075283805 /nfs/dbraw/zinc/28/38/05/1075283805.db2.gz FHQCSBXNFKACQB-UHFFFAOYSA-N 1 2 417.428 1.440 20 0 HDADLO CC(C)(C)O[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H]1n1cccn1 ZINC001129088975 1075284796 /nfs/dbraw/zinc/28/47/96/1075284796.db2.gz KHSYWVVJKMAARV-FQBWVUSXSA-N 1 2 406.527 1.376 20 0 HDADLO Cc1ccc(Cc2nnc(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)s2)cc1 ZINC000435115698 1075285150 /nfs/dbraw/zinc/28/51/50/1075285150.db2.gz ITHJQGWJPMZGHB-MRXNPFEDSA-N 1 2 405.524 1.594 20 0 HDADLO COc1cc(CCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc(OC)c1OC ZINC000521790766 1075297095 /nfs/dbraw/zinc/29/70/95/1075297095.db2.gz YTAXJITVRRYZQE-UHFFFAOYSA-N 1 2 418.494 1.812 20 0 HDADLO C[C@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000479119162 1075302215 /nfs/dbraw/zinc/30/22/15/1075302215.db2.gz OGGYQNHBJQNULU-GUYCJALGSA-N 1 2 414.333 1.831 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000731337410 1075309024 /nfs/dbraw/zinc/30/90/24/1075309024.db2.gz ZXVSQPZSZJTZAQ-LJQANCHMSA-N 1 2 423.517 1.696 20 0 HDADLO Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000465257090 1075321579 /nfs/dbraw/zinc/32/15/79/1075321579.db2.gz SNZNCICRRPRVDX-UHFFFAOYSA-N 1 2 409.437 2.447 20 0 HDADLO COc1cc(OC)c(OC)cc1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000470404483 1075331507 /nfs/dbraw/zinc/33/15/07/1075331507.db2.gz QEFNAEFVYVGDCH-UHFFFAOYSA-N 1 2 405.455 1.885 20 0 HDADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccc(OC(C)C)nn2)c(C)c1 ZINC000567098046 1075335182 /nfs/dbraw/zinc/33/51/82/1075335182.db2.gz DSNXSOWBZQGVDD-SFHVURJKSA-N 1 2 422.489 2.573 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000804076337 1075336984 /nfs/dbraw/zinc/33/69/84/1075336984.db2.gz TYGGXQDZWHKBPK-MSOLQXFVSA-N 1 2 404.417 1.416 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000804076337 1075336990 /nfs/dbraw/zinc/33/69/90/1075336990.db2.gz TYGGXQDZWHKBPK-MSOLQXFVSA-N 1 2 404.417 1.416 20 0 HDADLO Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C(C)C)c1 ZINC000596033243 1075341657 /nfs/dbraw/zinc/34/16/57/1075341657.db2.gz NCXCBJXEBFPEIY-HXUWFJFHSA-N 1 2 413.522 1.917 20 0 HDADLO O=C(Nc1cnn(-c2ccccc2F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676092960 1075377146 /nfs/dbraw/zinc/37/71/46/1075377146.db2.gz NVFWIAOJUCZLIO-INIZCTEOSA-N 1 2 401.442 1.273 20 0 HDADLO C[C@](O)(CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C[NH+]1CCOCC1 ZINC000543657195 1075387258 /nfs/dbraw/zinc/38/72/58/1075387258.db2.gz QYGJBYURNDUTPW-KRWDZBQOSA-N 1 2 411.915 1.485 20 0 HDADLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3)C2)o1 ZINC000676114734 1075387399 /nfs/dbraw/zinc/38/73/99/1075387399.db2.gz UIZRRSFVUICANX-JKSUJKDBSA-N 1 2 406.508 1.383 20 0 HDADLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3)C2)o1 ZINC000676114734 1075387403 /nfs/dbraw/zinc/38/74/03/1075387403.db2.gz UIZRRSFVUICANX-JKSUJKDBSA-N 1 2 406.508 1.383 20 0 HDADLO CN(CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)S(C)(=O)=O ZINC000676143458 1075397454 /nfs/dbraw/zinc/39/74/54/1075397454.db2.gz VZDQCWNXTJAWOH-MSOLQXFVSA-N 1 2 405.524 1.692 20 0 HDADLO CC(C)[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1nnc2ccccn21 ZINC000804100921 1075401587 /nfs/dbraw/zinc/40/15/87/1075401587.db2.gz JEPNETDGAQRJGC-RDJZCZTQSA-N 1 2 409.494 1.682 20 0 HDADLO Cc1ccc(-c2csc(C[NH2+][C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)n2)cc1 ZINC000509388079 1075417262 /nfs/dbraw/zinc/41/72/62/1075417262.db2.gz OPPZVUCOONQFRF-ZWKOTPCHSA-N 1 2 407.561 1.706 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2)CC1 ZINC000731648249 1075427372 /nfs/dbraw/zinc/42/73/72/1075427372.db2.gz IUBPOFOMJSMKGQ-UHFFFAOYSA-N 1 2 410.927 1.765 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000731648856 1075429391 /nfs/dbraw/zinc/42/93/91/1075429391.db2.gz KRVUWODGUYYOCY-UHFFFAOYSA-N 1 2 411.549 1.360 20 0 HDADLO Cc1nc2cc(F)cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2nc1C ZINC000731649503 1075430365 /nfs/dbraw/zinc/43/03/65/1075430365.db2.gz SBTSCELHSTWIHH-UHFFFAOYSA-N 1 2 408.499 1.625 20 0 HDADLO Cc1cc(C)n(-c2ccc(CC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2)n1 ZINC000731650131 1075432747 /nfs/dbraw/zinc/43/27/47/1075432747.db2.gz CGKCCZNRXXXRMG-UHFFFAOYSA-N 1 2 418.563 1.657 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000731649692 1075433144 /nfs/dbraw/zinc/43/31/44/1075433144.db2.gz VLGUFZBTDPTEEF-UHFFFAOYSA-N 1 2 424.954 1.824 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731649694 1075433615 /nfs/dbraw/zinc/43/36/15/1075433615.db2.gz VOILZTDUSJQJRL-MRXNPFEDSA-N 1 2 417.572 1.401 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCOc2ccc(F)cc2Cl)CC1 ZINC000731650902 1075434531 /nfs/dbraw/zinc/43/45/31/1075434531.db2.gz PROLOBMNDZODCY-UHFFFAOYSA-N 1 2 406.907 1.873 20 0 HDADLO Cn1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(-c2ccccc2Cl)n1 ZINC000731650682 1075435332 /nfs/dbraw/zinc/43/53/32/1075435332.db2.gz MUJUENNEWRFKBA-UHFFFAOYSA-N 1 2 424.954 1.979 20 0 HDADLO Cc1nc(COc2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2)no1 ZINC000731650696 1075435734 /nfs/dbraw/zinc/43/57/34/1075435734.db2.gz WASXRHHUDFYFRE-UHFFFAOYSA-N 1 2 422.507 1.196 20 0 HDADLO Cc1cn(-c2ncccc2F)nc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000448336481 1075437036 /nfs/dbraw/zinc/43/70/36/1075437036.db2.gz DSXSJSWUZKWWSK-LJQANCHMSA-N 1 2 420.514 2.044 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000676241568 1075443666 /nfs/dbraw/zinc/44/36/66/1075443666.db2.gz QTNBURSLSHPTEO-BLLLJJGKSA-N 1 2 400.501 1.297 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000676241568 1075443669 /nfs/dbraw/zinc/44/36/69/1075443669.db2.gz QTNBURSLSHPTEO-BLLLJJGKSA-N 1 2 400.501 1.297 20 0 HDADLO Cc1nc(C)c([C@H](C)N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000731686521 1075446066 /nfs/dbraw/zinc/44/60/66/1075446066.db2.gz BTJZQNHZPJBSDT-ZDUSSCGKSA-N 1 2 402.586 1.971 20 0 HDADLO Cc1ccccc1OCCCN(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686517 1075446106 /nfs/dbraw/zinc/44/61/06/1075446106.db2.gz BSHJWEWLJZEVOH-UHFFFAOYSA-N 1 2 411.568 1.914 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000731686406 1075446150 /nfs/dbraw/zinc/44/61/50/1075446150.db2.gz UWMLAJYQGVBXAO-MRXNPFEDSA-N 1 2 415.943 1.972 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000731686270 1075447055 /nfs/dbraw/zinc/44/70/55/1075447055.db2.gz WAOBNRYQFNFSGC-GOSISDBHSA-N 1 2 413.515 1.418 20 0 HDADLO C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676257907 1075452646 /nfs/dbraw/zinc/45/26/46/1075452646.db2.gz NTKGWLYJJMEDLV-HNAYVOBHSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257907 1075452647 /nfs/dbraw/zinc/45/26/47/1075452647.db2.gz NTKGWLYJJMEDLV-HNAYVOBHSA-N 1 2 403.504 1.936 20 0 HDADLO CN(C)C(=O)CN1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000676262995 1075461191 /nfs/dbraw/zinc/46/11/91/1075461191.db2.gz PPZFDSVTKMRJRJ-UHFFFAOYSA-N 1 2 400.483 1.200 20 0 HDADLO CCn1c(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nc2ccccc21 ZINC000731679276 1075461314 /nfs/dbraw/zinc/46/13/14/1075461314.db2.gz FHPMUIWSYLEDIU-UHFFFAOYSA-N 1 2 407.540 1.364 20 0 HDADLO CC(C)OCc1ccccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731680568 1075462913 /nfs/dbraw/zinc/46/29/13/1075462913.db2.gz NSPBNEQOVZADAN-UHFFFAOYSA-N 1 2 411.568 1.920 20 0 HDADLO CCCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000676265429 1075464434 /nfs/dbraw/zinc/46/44/34/1075464434.db2.gz ZTZXHEVIKLKGHP-UHFFFAOYSA-N 1 2 417.510 1.072 20 0 HDADLO CC(C)Oc1ccc(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731681882 1075465110 /nfs/dbraw/zinc/46/51/10/1075465110.db2.gz AWYSZKUIXUCYIN-UHFFFAOYSA-N 1 2 411.568 1.825 20 0 HDADLO CCc1cccc2c1OCC[C@H]2NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683202 1075466003 /nfs/dbraw/zinc/46/60/03/1075466003.db2.gz MMSCHEOCIRRZSH-GOSISDBHSA-N 1 2 409.552 1.881 20 0 HDADLO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000546821003 1075467202 /nfs/dbraw/zinc/46/72/02/1075467202.db2.gz QNCODUGDHONQIP-HNNXBMFYSA-N 1 2 417.535 1.824 20 0 HDADLO COCCCNC(=O)C1CC[NH+]([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000466725684 1075494701 /nfs/dbraw/zinc/49/47/01/1075494701.db2.gz XQHARHVYUKJGKX-MRXNPFEDSA-N 1 2 423.535 1.505 20 0 HDADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000509401487 1075497028 /nfs/dbraw/zinc/49/70/28/1075497028.db2.gz JVLPWZHWDZYVOK-NSHDSACASA-N 1 2 410.323 1.304 20 0 HDADLO COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000509401487 1075497031 /nfs/dbraw/zinc/49/70/31/1075497031.db2.gz JVLPWZHWDZYVOK-NSHDSACASA-N 1 2 410.323 1.304 20 0 HDADLO Cc1cccn2c(CN3CCN(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)CC3)c[nH+]c12 ZINC000509402363 1075497108 /nfs/dbraw/zinc/49/71/08/1075497108.db2.gz MCCFTZUJLYHSHV-CALCHBBNSA-N 1 2 407.540 1.114 20 0 HDADLO O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429421703 1075499356 /nfs/dbraw/zinc/49/93/56/1075499356.db2.gz VQWNNHGERDRCJC-JKSUJKDBSA-N 1 2 404.492 1.972 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000731764702 1075500071 /nfs/dbraw/zinc/50/00/71/1075500071.db2.gz CYKULOYLQSXVST-UHFFFAOYSA-N 1 2 405.879 1.043 20 0 HDADLO CSCc1cccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731765829 1075501303 /nfs/dbraw/zinc/50/13/03/1075501303.db2.gz ZXQQFIGAYICWBS-UHFFFAOYSA-N 1 2 413.565 1.113 20 0 HDADLO COc1cccc(OCCN2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676308104 1075505293 /nfs/dbraw/zinc/50/52/93/1075505293.db2.gz VBIVARBOYIEJKC-PXNSSMCTSA-N 1 2 406.527 1.120 20 0 HDADLO COc1cccc(OCCN2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676308104 1075505296 /nfs/dbraw/zinc/50/52/96/1075505296.db2.gz VBIVARBOYIEJKC-PXNSSMCTSA-N 1 2 406.527 1.120 20 0 HDADLO COc1cc(OC)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1Cl ZINC000731751261 1075507932 /nfs/dbraw/zinc/50/79/32/1075507932.db2.gz HZWGIUJWWQPTLY-UHFFFAOYSA-N 1 2 419.931 1.988 20 0 HDADLO COC(=O)c1cc2cc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)ccc2o1 ZINC000731753534 1075509447 /nfs/dbraw/zinc/50/94/47/1075509447.db2.gz MZERMMMAHRNHTF-UHFFFAOYSA-N 1 2 423.491 1.850 20 0 HDADLO COC(=O)N(C)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731753382 1075509512 /nfs/dbraw/zinc/50/95/12/1075509512.db2.gz WZMTXVCPLLNDES-UHFFFAOYSA-N 1 2 412.512 1.520 20 0 HDADLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731754373 1075510573 /nfs/dbraw/zinc/51/05/73/1075510573.db2.gz UHAVZCWOLQXZEP-OAHLLOKOSA-N 1 2 424.567 1.845 20 0 HDADLO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676341127 1075513552 /nfs/dbraw/zinc/51/35/52/1075513552.db2.gz OHWADURQWKPMJN-SLYNCCJLSA-N 1 2 401.507 1.538 20 0 HDADLO Cc1nnc(SCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)n1Cc1ccccc1 ZINC000676340356 1075513623 /nfs/dbraw/zinc/51/36/23/1075513623.db2.gz CHXGKENXGKIBOH-SFHVURJKSA-N 1 2 401.536 1.660 20 0 HDADLO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676341292 1075514338 /nfs/dbraw/zinc/51/43/38/1075514338.db2.gz KYOFTQQCTGMXPA-YLJYHZDGSA-N 1 2 402.470 1.287 20 0 HDADLO COc1cccc(-n2ccnc2SCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000676341298 1075514345 /nfs/dbraw/zinc/51/43/45/1075514345.db2.gz LDSZHDZKEIHWBR-KRWDZBQOSA-N 1 2 402.520 1.906 20 0 HDADLO COc1cccc(-n2ccnc2SCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000676341300 1075514409 /nfs/dbraw/zinc/51/44/09/1075514409.db2.gz LDSZHDZKEIHWBR-QGZVFWFLSA-N 1 2 402.520 1.906 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000731761021 1075515652 /nfs/dbraw/zinc/51/56/52/1075515652.db2.gz NUFGQPVLOMHUMN-HXUWFJFHSA-N 1 2 423.579 1.886 20 0 HDADLO O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676343264 1075515670 /nfs/dbraw/zinc/51/56/70/1075515670.db2.gz ZTYBKXMEALDUEG-SFHVURJKSA-N 1 2 407.536 1.020 20 0 HDADLO O=C(COc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676342499 1075516480 /nfs/dbraw/zinc/51/64/80/1075516480.db2.gz PZPLRBNXAZPVFU-RBUKOAKNSA-N 1 2 401.507 1.237 20 0 HDADLO CCCOc1cccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731765534 1075518458 /nfs/dbraw/zinc/51/84/58/1075518458.db2.gz WFWHANZROZUBRK-UHFFFAOYSA-N 1 2 411.524 1.039 20 0 HDADLO COc1c[nH+]c(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc1N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000557630618 1075518623 /nfs/dbraw/zinc/51/86/23/1075518623.db2.gz OGLCNAWVOOHVOZ-KGLIPLIRSA-N 1 2 418.542 2.108 20 0 HDADLO CC(C)Oc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731764862 1075519828 /nfs/dbraw/zinc/51/98/28/1075519828.db2.gz HDKZSABLUIRTMR-UHFFFAOYSA-N 1 2 411.524 1.038 20 0 HDADLO Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000559722784 1075522385 /nfs/dbraw/zinc/52/23/85/1075522385.db2.gz YEUDIFXZUKOJQM-HZPDHXFCSA-N 1 2 422.892 2.195 20 0 HDADLO Cc1nc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000559722784 1075522387 /nfs/dbraw/zinc/52/23/87/1075522387.db2.gz YEUDIFXZUKOJQM-HZPDHXFCSA-N 1 2 422.892 2.195 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000676333287 1075523021 /nfs/dbraw/zinc/52/30/21/1075523021.db2.gz ZQDIKPAUAQJSOY-MFKMUULPSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000676333287 1075523025 /nfs/dbraw/zinc/52/30/25/1075523025.db2.gz ZQDIKPAUAQJSOY-MFKMUULPSA-N 1 2 401.364 1.874 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)NC[C@H]3CCC[C@@H]3NS(C)(=O)=O)c2)cc[nH+]1 ZINC000544555142 1075538825 /nfs/dbraw/zinc/53/88/25/1075538825.db2.gz MWTGYMPOQPFPDB-MSOLQXFVSA-N 1 2 417.535 1.845 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000731838523 1075544426 /nfs/dbraw/zinc/54/44/26/1075544426.db2.gz KMFMCSVOOIIIRD-UHFFFAOYSA-N 1 2 416.543 1.548 20 0 HDADLO CN(CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1nc2ccccc2s1 ZINC000731839658 1075545100 /nfs/dbraw/zinc/54/51/00/1075545100.db2.gz XPSZYNLFXLPTJS-UHFFFAOYSA-N 1 2 410.565 1.358 20 0 HDADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccsc1 ZINC000509414140 1075550407 /nfs/dbraw/zinc/55/04/07/1075550407.db2.gz FLMQBHCRIWRIHZ-AWEZNQCLSA-N 1 2 409.537 1.322 20 0 HDADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccsc1 ZINC000509414140 1075550410 /nfs/dbraw/zinc/55/04/10/1075550410.db2.gz FLMQBHCRIWRIHZ-AWEZNQCLSA-N 1 2 409.537 1.322 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000026362455 1075553192 /nfs/dbraw/zinc/55/31/92/1075553192.db2.gz IDDOOTZQSGXVIH-GOSISDBHSA-N 1 2 422.489 1.884 20 0 HDADLO COCCNc1nc(N2CCCOC(C)(C)C2)[nH+]c(N2CCCOC(C)(C)C2)n1 ZINC000676492619 1075564972 /nfs/dbraw/zinc/56/49/72/1075564972.db2.gz OCKCZJALXZBAKH-UHFFFAOYSA-N 1 2 408.547 1.362 20 0 HDADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nc2ccccc2s1 ZINC000804164913 1075568106 /nfs/dbraw/zinc/56/81/06/1075568106.db2.gz OEQVRCMIQWQYBS-LSDHHAIUSA-N 1 2 402.520 1.797 20 0 HDADLO C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000554252230 1075568763 /nfs/dbraw/zinc/56/87/63/1075568763.db2.gz HIEMFZUFMYQUPD-SFHVURJKSA-N 1 2 401.511 2.332 20 0 HDADLO O=C1NC[C@@H](CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCOCC2)O1 ZINC000731939193 1075576252 /nfs/dbraw/zinc/57/62/52/1075576252.db2.gz JKQZTJLJVPBRDE-LBPRGKRZSA-N 1 2 410.521 1.381 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1nnc(-c2ccccc2)o1 ZINC000731986773 1075586496 /nfs/dbraw/zinc/58/64/96/1075586496.db2.gz PQTYWDBEWTUTLC-KRWDZBQOSA-N 1 2 414.462 1.493 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1nc(-c2ccco2)no1 ZINC000731991145 1075587533 /nfs/dbraw/zinc/58/75/33/1075587533.db2.gz LCZCIXVSIZCKQB-HNNXBMFYSA-N 1 2 404.423 1.086 20 0 HDADLO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000676545890 1075591809 /nfs/dbraw/zinc/59/18/09/1075591809.db2.gz MWLNSOMEARZQGD-UHFFFAOYSA-N 1 2 404.474 1.609 20 0 HDADLO O=C(Nc1ccnn1CCc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676547492 1075594172 /nfs/dbraw/zinc/59/41/72/1075594172.db2.gz OJRRSKOUEBPHHJ-LJQANCHMSA-N 1 2 411.506 1.388 20 0 HDADLO Cc1c([C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)nnn1-c1cccc(Cl)c1 ZINC000429448647 1075597970 /nfs/dbraw/zinc/59/79/70/1075597970.db2.gz JJSTVTTWHIMKNG-GFCCVEGCSA-N 1 2 400.936 1.712 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000732063664 1075599351 /nfs/dbraw/zinc/59/93/51/1075599351.db2.gz YYHVCKDJFRTVHE-AATRIKPKSA-N 1 2 424.501 1.482 20 0 HDADLO Cn1ncnc1COc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676560592 1075601473 /nfs/dbraw/zinc/60/14/73/1075601473.db2.gz ZIBQSEOTDXVIOD-OAHLLOKOSA-N 1 2 402.480 1.616 20 0 HDADLO CON(C)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000732127572 1075630601 /nfs/dbraw/zinc/63/06/01/1075630601.db2.gz KZCHIFROGQIUKR-KRWDZBQOSA-N 1 2 411.524 1.195 20 0 HDADLO CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)cc2S1(=O)=O ZINC000732127279 1075631009 /nfs/dbraw/zinc/63/10/09/1075631009.db2.gz GWMNNJXSDGNLIH-INIZCTEOSA-N 1 2 421.519 1.178 20 0 HDADLO COCCCNC(=O)C1CC[NH+](Cc2nc(N)nc(Nc3ccccc3C)n2)CC1 ZINC000505776441 1075631903 /nfs/dbraw/zinc/63/19/03/1075631903.db2.gz JHSDDSJXFCNLFZ-UHFFFAOYSA-N 1 2 413.526 1.292 20 0 HDADLO O=C1CCc2cc(S(=O)(=O)NCCc3cn4c([nH+]3)CCCC4)cc3c2N1CCC3 ZINC000543681024 1075637028 /nfs/dbraw/zinc/63/70/28/1075637028.db2.gz YIFDUALPHHXMET-UHFFFAOYSA-N 1 2 414.531 1.966 20 0 HDADLO Cc1cc(S(N)(=O)=O)sc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000509427515 1075637413 /nfs/dbraw/zinc/63/74/13/1075637413.db2.gz XESISCLWBQZNAI-UHFFFAOYSA-N 1 2 404.517 1.921 20 0 HDADLO Cn1nc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c2ccccc2c1=O ZINC000732165516 1075643625 /nfs/dbraw/zinc/64/36/25/1075643625.db2.gz GTQVPZHGDYLEGO-SFHVURJKSA-N 1 2 406.486 1.607 20 0 HDADLO O=C(CN1c2ccccc2OCCC1=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732166461 1075644593 /nfs/dbraw/zinc/64/45/93/1075644593.db2.gz OKOBKINFASLALD-HXUWFJFHSA-N 1 2 423.513 1.862 20 0 HDADLO NS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3cccs3)CC1)CC2 ZINC000676702189 1075651736 /nfs/dbraw/zinc/65/17/36/1075651736.db2.gz RPXFTQBMLNILFE-UHFFFAOYSA-N 1 2 420.560 1.102 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1C ZINC000676717675 1075654227 /nfs/dbraw/zinc/65/42/27/1075654227.db2.gz ONFFOQFVKFYCLI-QGZVFWFLSA-N 1 2 405.524 1.632 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c1C ZINC000676717675 1075654232 /nfs/dbraw/zinc/65/42/32/1075654232.db2.gz ONFFOQFVKFYCLI-QGZVFWFLSA-N 1 2 405.524 1.632 20 0 HDADLO COc1ccc(-c2nnn(C[N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)n2)cc1OC ZINC000732190922 1075655319 /nfs/dbraw/zinc/65/53/19/1075655319.db2.gz MCOOIANZGSZLBE-INIZCTEOSA-N 1 2 400.483 1.649 20 0 HDADLO COc1ccc(-c2nnn(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)n2)cc1OC ZINC000732190922 1075655323 /nfs/dbraw/zinc/65/53/23/1075655323.db2.gz MCOOIANZGSZLBE-INIZCTEOSA-N 1 2 400.483 1.649 20 0 HDADLO Nc1nsc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000676704873 1075655787 /nfs/dbraw/zinc/65/57/87/1075655787.db2.gz KNDQBWSRSMULHX-JTQLQIEISA-N 1 2 404.323 1.989 20 0 HDADLO C[C@H]1COCCC[N@@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000676713411 1075657725 /nfs/dbraw/zinc/65/77/25/1075657725.db2.gz ORXHKMLDJMLWQI-KRWDZBQOSA-N 1 2 421.563 1.861 20 0 HDADLO C[C@H]1COCCC[N@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000676713411 1075657730 /nfs/dbraw/zinc/65/77/30/1075657730.db2.gz ORXHKMLDJMLWQI-KRWDZBQOSA-N 1 2 421.563 1.861 20 0 HDADLO O=C(Cc1cnn(-c2ccccc2)n1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732167412 1075657760 /nfs/dbraw/zinc/65/77/60/1075657760.db2.gz ZDBKLJZTDYXURS-OAQYLSRUSA-N 1 2 405.502 1.870 20 0 HDADLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1S(=O)(=O)N(C)C ZINC000676716660 1075658666 /nfs/dbraw/zinc/65/86/66/1075658666.db2.gz WPXHTGAIOFSLLT-QGZVFWFLSA-N 1 2 419.551 1.927 20 0 HDADLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1S(=O)(=O)N(C)C ZINC000676716660 1075658668 /nfs/dbraw/zinc/65/86/68/1075658668.db2.gz WPXHTGAIOFSLLT-QGZVFWFLSA-N 1 2 419.551 1.927 20 0 HDADLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000676717119 1075659216 /nfs/dbraw/zinc/65/92/16/1075659216.db2.gz BGEDPAVMWGWYDC-INIZCTEOSA-N 1 2 400.874 1.997 20 0 HDADLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000676717119 1075659220 /nfs/dbraw/zinc/65/92/20/1075659220.db2.gz BGEDPAVMWGWYDC-INIZCTEOSA-N 1 2 400.874 1.997 20 0 HDADLO CC[C@@H]1C[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C[C@@H](C)O1 ZINC000732208151 1075665882 /nfs/dbraw/zinc/66/58/82/1075665882.db2.gz IXMGMOPFOHHCOX-WLBFPACRSA-N 1 2 418.519 1.733 20 0 HDADLO CC[C@@H]1C[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C[C@@H](C)O1 ZINC000732208151 1075665885 /nfs/dbraw/zinc/66/58/85/1075665885.db2.gz IXMGMOPFOHHCOX-WLBFPACRSA-N 1 2 418.519 1.733 20 0 HDADLO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1 ZINC000676722591 1075667602 /nfs/dbraw/zinc/66/76/02/1075667602.db2.gz REERVPSHVAZZPA-UHFFFAOYSA-N 1 2 421.523 1.327 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000676738991 1075671573 /nfs/dbraw/zinc/67/15/73/1075671573.db2.gz KFEFJOHTSIRSMN-CJNGLKHVSA-N 1 2 403.932 1.189 20 0 HDADLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000676738991 1075671574 /nfs/dbraw/zinc/67/15/74/1075671574.db2.gz KFEFJOHTSIRSMN-CJNGLKHVSA-N 1 2 403.932 1.189 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000676740458 1075671980 /nfs/dbraw/zinc/67/19/80/1075671980.db2.gz HUTSNVQIQHTLFR-SJORKVTESA-N 1 2 423.535 1.135 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1 ZINC000676740458 1075671981 /nfs/dbraw/zinc/67/19/81/1075671981.db2.gz HUTSNVQIQHTLFR-SJORKVTESA-N 1 2 423.535 1.135 20 0 HDADLO CC[C@H](c1nnc(SCc2nccc(N)n2)n1CCN1CCOCC1)[NH+](C)C ZINC000532618815 1075675691 /nfs/dbraw/zinc/67/56/91/1075675691.db2.gz DFFDFBMLPXODBI-CQSZACIVSA-N 1 2 406.560 1.288 20 0 HDADLO CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000492350156 1075680824 /nfs/dbraw/zinc/68/08/24/1075680824.db2.gz ILEFVFLNOZHTKA-INIZCTEOSA-N 1 2 407.482 1.437 20 0 HDADLO COCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O ZINC000028958458 1075691062 /nfs/dbraw/zinc/69/10/62/1075691062.db2.gz WMSORTCZEKUCCS-UHFFFAOYSA-N 1 2 414.384 1.099 20 0 HDADLO COCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O ZINC000028958458 1075691065 /nfs/dbraw/zinc/69/10/65/1075691065.db2.gz WMSORTCZEKUCCS-UHFFFAOYSA-N 1 2 414.384 1.099 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000443558022 1075702068 /nfs/dbraw/zinc/70/20/68/1075702068.db2.gz SYPRWNHBTWLFTC-UHFFFAOYSA-N 1 2 404.902 1.805 20 0 HDADLO CN(C)C(=O)Cn1ccc(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000443558022 1075702072 /nfs/dbraw/zinc/70/20/72/1075702072.db2.gz SYPRWNHBTWLFTC-UHFFFAOYSA-N 1 2 404.902 1.805 20 0 HDADLO COc1cccc([C@@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000732343997 1075714723 /nfs/dbraw/zinc/71/47/23/1075714723.db2.gz GCHDYFSUSRGRFB-LJQANCHMSA-N 1 2 404.488 1.678 20 0 HDADLO Nc1nccc([C@H]2CCCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)n1 ZINC000568662119 1075724536 /nfs/dbraw/zinc/72/45/36/1075724536.db2.gz LGXMIQFAMQIPFK-KRWDZBQOSA-N 1 2 423.521 1.289 20 0 HDADLO C[C@H](C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397581 1075727529 /nfs/dbraw/zinc/72/75/29/1075727529.db2.gz SOEGWAHJTFBNCW-YLJYHZDGSA-N 1 2 415.534 1.739 20 0 HDADLO Nc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)NC3CCOCC3)cc2)c[nH+]1 ZINC000558796403 1075740669 /nfs/dbraw/zinc/74/06/69/1075740669.db2.gz IKSFKJJIBDOFLA-UHFFFAOYSA-N 1 2 405.480 1.443 20 0 HDADLO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[NH+]2CCC(C(=O)N(C)C)CC2)C1=O ZINC000732438896 1075744424 /nfs/dbraw/zinc/74/44/24/1075744424.db2.gz WZPSEQBWHSCHKQ-NRFANRHFSA-N 1 2 402.495 1.610 20 0 HDADLO CN(C)[C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)cccc1Cl ZINC000469137822 1075749660 /nfs/dbraw/zinc/74/96/60/1075749660.db2.gz BIBUCFQXJPVZHX-SFHVURJKSA-N 1 2 409.893 2.249 20 0 HDADLO COc1ccccc1[C@H](O)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732476860 1075757343 /nfs/dbraw/zinc/75/73/43/1075757343.db2.gz ZVHINALDDNGOLK-PZJWPPBQSA-N 1 2 413.518 1.971 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCC[C@@H](C2OCCO2)C1 ZINC000732476481 1075757680 /nfs/dbraw/zinc/75/76/80/1075757680.db2.gz LLWRHGVTXKVHKP-WOJBJXKFSA-N 1 2 403.523 1.724 20 0 HDADLO CC(C)(C)n1cnc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000574788720 1075787512 /nfs/dbraw/zinc/78/75/12/1075787512.db2.gz IUABGKJMSJWOKR-UHFFFAOYSA-N 1 2 402.474 1.845 20 0 HDADLO CC(C)(C)n1cnc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000574788720 1075787516 /nfs/dbraw/zinc/78/75/16/1075787516.db2.gz IUABGKJMSJWOKR-UHFFFAOYSA-N 1 2 402.474 1.845 20 0 HDADLO CN1CC[N@H+](C)C[C@H]1CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1 ZINC000433766834 1075791450 /nfs/dbraw/zinc/79/14/50/1075791450.db2.gz QAGCKXIZMMEWDD-CQSZACIVSA-N 1 2 411.478 1.818 20 0 HDADLO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1 ZINC000433766834 1075791456 /nfs/dbraw/zinc/79/14/56/1075791456.db2.gz QAGCKXIZMMEWDD-CQSZACIVSA-N 1 2 411.478 1.818 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000499181525 1075797704 /nfs/dbraw/zinc/79/77/04/1075797704.db2.gz PDPVWWFMTFXXOW-FUHWJXTLSA-N 1 2 403.433 1.998 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000499181525 1075797707 /nfs/dbraw/zinc/79/77/07/1075797707.db2.gz PDPVWWFMTFXXOW-FUHWJXTLSA-N 1 2 403.433 1.998 20 0 HDADLO CC(C)(NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cn(-c2ccccc2)nn1 ZINC000447072982 1075799030 /nfs/dbraw/zinc/79/90/30/1075799030.db2.gz PVBXGAALRJJGCB-UHFFFAOYSA-N 1 2 424.509 1.853 20 0 HDADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000567203434 1075804243 /nfs/dbraw/zinc/80/42/43/1075804243.db2.gz PFNMLCQUKKXEOD-SFHVURJKSA-N 1 2 409.494 1.956 20 0 HDADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000567203434 1075804249 /nfs/dbraw/zinc/80/42/49/1075804249.db2.gz PFNMLCQUKKXEOD-SFHVURJKSA-N 1 2 409.494 1.956 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732656112 1075817546 /nfs/dbraw/zinc/81/75/46/1075817546.db2.gz BZNZFAIUZBCWEJ-GOSISDBHSA-N 1 2 416.432 1.186 20 0 HDADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000611037099 1075817978 /nfs/dbraw/zinc/81/79/78/1075817978.db2.gz BPFRMQGOVCKABS-OKZBNKHCSA-N 1 2 416.584 1.856 20 0 HDADLO CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](CCC(=O)OCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000611037099 1075817985 /nfs/dbraw/zinc/81/79/85/1075817985.db2.gz BPFRMQGOVCKABS-OKZBNKHCSA-N 1 2 416.584 1.856 20 0 HDADLO CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079023938 1075830160 /nfs/dbraw/zinc/83/01/60/1075830160.db2.gz ZMZMUOREWDQWBA-KUJSBWEGSA-N 1 2 400.523 1.616 20 0 HDADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000429293088 1075833036 /nfs/dbraw/zinc/83/30/36/1075833036.db2.gz JHTZQSXBYPUABN-HUUCEWRRSA-N 1 2 424.567 1.594 20 0 HDADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000466653365 1075835027 /nfs/dbraw/zinc/83/50/27/1075835027.db2.gz GKTRWSSIRIEGDV-UHFFFAOYSA-N 1 2 414.506 1.157 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CCO1 ZINC000732702605 1075836454 /nfs/dbraw/zinc/83/64/54/1075836454.db2.gz YHUOBGYNUKAPQL-VQIMIIECSA-N 1 2 410.946 1.421 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CCO1 ZINC000732702605 1075836457 /nfs/dbraw/zinc/83/64/57/1075836457.db2.gz YHUOBGYNUKAPQL-VQIMIIECSA-N 1 2 410.946 1.421 20 0 HDADLO CC(C)Cc1ncnc(NC[C@@H]2C[NH+]3CCN2CC3)c1I ZINC000553173419 1075837405 /nfs/dbraw/zinc/83/74/05/1075837405.db2.gz LDKMKWUYEASWQQ-GFCCVEGCSA-N 1 2 401.296 1.691 20 0 HDADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000732761116 1075846600 /nfs/dbraw/zinc/84/66/00/1075846600.db2.gz YETUVIMCXHGZHX-SFHVURJKSA-N 1 2 412.446 1.232 20 0 HDADLO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)nn1 ZINC000562845915 1075859303 /nfs/dbraw/zinc/85/93/03/1075859303.db2.gz XCGUJADQBSSQFE-HNNXBMFYSA-N 1 2 405.886 2.275 20 0 HDADLO O=C(CN1CCOc2ccc(Cl)cc21)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000469258363 1075870682 /nfs/dbraw/zinc/87/06/82/1075870682.db2.gz PHNNNVRELDURII-UHFFFAOYSA-N 1 2 405.886 1.706 20 0 HDADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000732808930 1075871076 /nfs/dbraw/zinc/87/10/76/1075871076.db2.gz GBWYQZGPPUALHV-SFHVURJKSA-N 1 2 416.522 1.569 20 0 HDADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000732808930 1075871082 /nfs/dbraw/zinc/87/10/82/1075871082.db2.gz GBWYQZGPPUALHV-SFHVURJKSA-N 1 2 416.522 1.569 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000732810164 1075871801 /nfs/dbraw/zinc/87/18/01/1075871801.db2.gz SZXVKJLNHLTAQS-QGZVFWFLSA-N 1 2 422.551 1.352 20 0 HDADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000732810164 1075871802 /nfs/dbraw/zinc/87/18/02/1075871802.db2.gz SZXVKJLNHLTAQS-QGZVFWFLSA-N 1 2 422.551 1.352 20 0 HDADLO CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000611207834 1075874142 /nfs/dbraw/zinc/87/41/42/1075874142.db2.gz BCWIFUJUQBVZBQ-QGZVFWFLSA-N 1 2 421.542 1.067 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814740 1075876018 /nfs/dbraw/zinc/87/60/18/1075876018.db2.gz UJGHHTYJTSZWNW-GJZGRUSLSA-N 1 2 413.444 1.214 20 0 HDADLO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814740 1075876021 /nfs/dbraw/zinc/87/60/21/1075876021.db2.gz UJGHHTYJTSZWNW-GJZGRUSLSA-N 1 2 413.444 1.214 20 0 HDADLO COC(=O)c1ccc(Br)c(S(=O)(=O)NCC[NH+]2CCSCC2)c1 ZINC000732815818 1075877118 /nfs/dbraw/zinc/87/71/18/1075877118.db2.gz WWGCRGXRKOUMHU-UHFFFAOYSA-N 1 2 423.354 1.563 20 0 HDADLO Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000732897443 1075899607 /nfs/dbraw/zinc/89/96/07/1075899607.db2.gz QQWHCXXLLFTNKI-OAQYLSRUSA-N 1 2 410.518 1.531 20 0 HDADLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000502513130 1075912563 /nfs/dbraw/zinc/91/25/63/1075912563.db2.gz CKEJRLMMJPFCBG-IAGOWNOFSA-N 1 2 407.515 1.082 20 0 HDADLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000502513130 1075912567 /nfs/dbraw/zinc/91/25/67/1075912567.db2.gz CKEJRLMMJPFCBG-IAGOWNOFSA-N 1 2 407.515 1.082 20 0 HDADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732967485 1075927958 /nfs/dbraw/zinc/92/79/58/1075927958.db2.gz CGCFZMUBMFVIMJ-APWZRJJASA-N 1 2 407.461 1.809 20 0 HDADLO Cn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1=S ZINC000732979906 1075935413 /nfs/dbraw/zinc/93/54/13/1075935413.db2.gz SLGJHOVSEJRJRQ-OAHLLOKOSA-N 1 2 410.588 1.619 20 0 HDADLO Cn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1=S ZINC000732979906 1075935414 /nfs/dbraw/zinc/93/54/14/1075935414.db2.gz SLGJHOVSEJRJRQ-OAHLLOKOSA-N 1 2 410.588 1.619 20 0 HDADLO NC(=O)COc1ccc(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000732985514 1075938482 /nfs/dbraw/zinc/93/84/82/1075938482.db2.gz RIQGPAKEIXSLGE-OAQYLSRUSA-N 1 2 408.502 1.474 20 0 HDADLO CCOC(=O)C1C(C[N@H+](C)CCN2CCCC2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000732986030 1075939775 /nfs/dbraw/zinc/93/97/75/1075939775.db2.gz YOMADFNTMBLNIK-IBGZPJMESA-N 1 2 400.479 1.412 20 0 HDADLO CCOC(=O)C1C(C[N@@H+](C)CCN2CCCC2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000732986030 1075939777 /nfs/dbraw/zinc/93/97/77/1075939777.db2.gz YOMADFNTMBLNIK-IBGZPJMESA-N 1 2 400.479 1.412 20 0 HDADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)c1C ZINC000733049622 1075955435 /nfs/dbraw/zinc/95/54/35/1075955435.db2.gz VMXTYBKJTZHVTP-UHFFFAOYSA-N 1 2 424.457 1.924 20 0 HDADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611540574 1075956454 /nfs/dbraw/zinc/95/64/54/1075956454.db2.gz DURLYTVKKTVEOJ-CABCVRRESA-N 1 2 402.900 1.346 20 0 HDADLO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000611540673 1075956962 /nfs/dbraw/zinc/95/69/62/1075956962.db2.gz NCVVXOMPQBBMTP-SJORKVTESA-N 1 2 400.472 1.222 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490226231 1075963747 /nfs/dbraw/zinc/96/37/47/1075963747.db2.gz XXWYNJGDKHSIQR-RTBURBONSA-N 1 2 412.481 1.046 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490226231 1075963751 /nfs/dbraw/zinc/96/37/51/1075963751.db2.gz XXWYNJGDKHSIQR-RTBURBONSA-N 1 2 412.481 1.046 20 0 HDADLO COCC[NH+]1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 ZINC000733155931 1075988808 /nfs/dbraw/zinc/98/88/08/1075988808.db2.gz GZDGOCWUZIAAKB-UHFFFAOYSA-N 1 2 422.530 1.254 20 0 HDADLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1)N1CCCC1 ZINC000733157618 1075990188 /nfs/dbraw/zinc/99/01/88/1075990188.db2.gz AQJFIOKGCZSKJM-IBGZPJMESA-N 1 2 402.470 1.475 20 0 HDADLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1)N1CCCC1 ZINC000733157618 1075990191 /nfs/dbraw/zinc/99/01/91/1075990191.db2.gz AQJFIOKGCZSKJM-IBGZPJMESA-N 1 2 402.470 1.475 20 0 HDADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000733159743 1075992892 /nfs/dbraw/zinc/99/28/92/1075992892.db2.gz JAHCRCBPZUHGNU-SFHVURJKSA-N 1 2 410.559 1.692 20 0 HDADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000733159743 1075992895 /nfs/dbraw/zinc/99/28/95/1075992895.db2.gz JAHCRCBPZUHGNU-SFHVURJKSA-N 1 2 410.559 1.692 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O ZINC000733298359 1076032501 /nfs/dbraw/zinc/03/25/01/1076032501.db2.gz UZZOQJQAOYZXLZ-XOBRGWDASA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O ZINC000733298359 1076032508 /nfs/dbraw/zinc/03/25/08/1076032508.db2.gz UZZOQJQAOYZXLZ-XOBRGWDASA-N 1 2 417.441 1.970 20 0 HDADLO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000733319701 1076043950 /nfs/dbraw/zinc/04/39/50/1076043950.db2.gz RMCBQWCXYJUEOD-UHFFFAOYSA-N 1 2 416.565 1.359 20 0 HDADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000733327280 1076044911 /nfs/dbraw/zinc/04/49/11/1076044911.db2.gz CNCDNRKODXRTIJ-LBPRGKRZSA-N 1 2 411.977 1.507 20 0 HDADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000727495766 1076137926 /nfs/dbraw/zinc/13/79/26/1076137926.db2.gz ITMJJOSBCCWHMV-GOSISDBHSA-N 1 2 409.490 1.486 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733649774 1076141719 /nfs/dbraw/zinc/14/17/19/1076141719.db2.gz YOKUOCDDXLGKSF-GOSISDBHSA-N 1 2 403.527 1.539 20 0 HDADLO O=C(CCc1c[nH]c[nH+]1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000525974905 1076170281 /nfs/dbraw/zinc/17/02/81/1076170281.db2.gz SBTILRPPWXFIID-UHFFFAOYSA-N 1 2 416.425 1.894 20 0 HDADLO O=C(CCc1c[nH+]c[nH]1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000525974905 1076170283 /nfs/dbraw/zinc/17/02/83/1076170283.db2.gz SBTILRPPWXFIID-UHFFFAOYSA-N 1 2 416.425 1.894 20 0 HDADLO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cn1 ZINC000727609219 1076179126 /nfs/dbraw/zinc/17/91/26/1076179126.db2.gz WISHQGJSJOKSMC-UHFFFAOYSA-N 1 2 400.439 1.990 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)C1 ZINC000527462323 1076203973 /nfs/dbraw/zinc/20/39/73/1076203973.db2.gz CCHKTDMGGOSKEF-LJQANCHMSA-N 1 2 420.469 1.972 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)C1 ZINC000527462323 1076203980 /nfs/dbraw/zinc/20/39/80/1076203980.db2.gz CCHKTDMGGOSKEF-LJQANCHMSA-N 1 2 420.469 1.972 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](Cc3ccco3)C(C)C)C2=O)c1 ZINC000733793953 1076214523 /nfs/dbraw/zinc/21/45/23/1076214523.db2.gz HTOJINALMVAICM-OAQYLSRUSA-N 1 2 414.462 1.997 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](Cc3ccco3)C(C)C)C2=O)c1 ZINC000733793953 1076214527 /nfs/dbraw/zinc/21/45/27/1076214527.db2.gz HTOJINALMVAICM-OAQYLSRUSA-N 1 2 414.462 1.997 20 0 HDADLO CCSc1cccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000733852631 1076227811 /nfs/dbraw/zinc/22/78/11/1076227811.db2.gz FCCNMGBKLJAIQF-UHFFFAOYSA-N 1 2 413.565 1.362 20 0 HDADLO CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531922926 1076238133 /nfs/dbraw/zinc/23/81/33/1076238133.db2.gz WZFFDDNQKDFDRP-PKOBYXMFSA-N 1 2 402.495 1.652 20 0 HDADLO CN(C)S(=O)(=O)c1cc(C(=O)N2CC(n3cc[nH+]c3)C2)ccc1Br ZINC000733885147 1076239538 /nfs/dbraw/zinc/23/95/38/1076239538.db2.gz QOWSSMXFVOGQBW-UHFFFAOYSA-N 1 2 413.297 1.593 20 0 HDADLO C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000533358315 1076243043 /nfs/dbraw/zinc/24/30/43/1076243043.db2.gz ZABAZRVBXZHVBP-WSTZPKSXSA-N 1 2 415.538 1.324 20 0 HDADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000534480170 1076247543 /nfs/dbraw/zinc/24/75/43/1076247543.db2.gz MNGUFBVOYFHSTQ-QKLQHJQFSA-N 1 2 424.973 1.366 20 0 HDADLO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000534480167 1076247626 /nfs/dbraw/zinc/24/76/26/1076247626.db2.gz MNGUFBVOYFHSTQ-HLIPFELVSA-N 1 2 424.973 1.366 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)CC1 ZINC001299319617 1076248945 /nfs/dbraw/zinc/24/89/45/1076248945.db2.gz WGNFGSKYRDMIDV-JKSUJKDBSA-N 1 2 409.493 1.891 20 0 HDADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534584614 1076249292 /nfs/dbraw/zinc/24/92/92/1076249292.db2.gz OEUPBWWIEXQZIR-KRWDZBQOSA-N 1 2 423.502 1.626 20 0 HDADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534584614 1076249296 /nfs/dbraw/zinc/24/92/96/1076249296.db2.gz OEUPBWWIEXQZIR-KRWDZBQOSA-N 1 2 423.502 1.626 20 0 HDADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000534749699 1076249676 /nfs/dbraw/zinc/24/96/76/1076249676.db2.gz IXGKQDYNWJJDLZ-OAHLLOKOSA-N 1 2 412.512 1.395 20 0 HDADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535278701 1076251811 /nfs/dbraw/zinc/25/18/11/1076251811.db2.gz WUUGLXFAOWICEN-GOSISDBHSA-N 1 2 401.488 1.640 20 0 HDADLO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535278701 1076251814 /nfs/dbraw/zinc/25/18/14/1076251814.db2.gz WUUGLXFAOWICEN-GOSISDBHSA-N 1 2 401.488 1.640 20 0 HDADLO CCC(=CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1)CC ZINC001065697345 1076256766 /nfs/dbraw/zinc/25/67/66/1076256766.db2.gz BKCOYKVRTYHRED-NHHWGVFUSA-N 1 2 401.551 1.901 20 0 HDADLO Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000144378311 1076258572 /nfs/dbraw/zinc/25/85/72/1076258572.db2.gz SDXBZSWWFLIWGE-HNNXBMFYSA-N 1 2 403.508 1.352 20 0 HDADLO O=C(NC1CC1)[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 ZINC000727838031 1076266282 /nfs/dbraw/zinc/26/62/82/1076266282.db2.gz ILTWEVPGMRRDJN-LJQANCHMSA-N 1 2 405.495 1.855 20 0 HDADLO CN(CC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000727894236 1076277782 /nfs/dbraw/zinc/27/77/82/1076277782.db2.gz WMQOLVKYPSQNAF-UHFFFAOYSA-N 1 2 421.494 1.867 20 0 HDADLO O=C(c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CC(n2cc[nH+]c2)C1 ZINC000733982700 1076282238 /nfs/dbraw/zinc/28/22/38/1076282238.db2.gz FQQBWKSKNTWPPN-OAHLLOKOSA-N 1 2 424.910 1.691 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@H+](Cc3cccc4nsnc43)C[C@@H]21 ZINC001083147913 1076304624 /nfs/dbraw/zinc/30/46/24/1076304624.db2.gz KRMZLDIDJWYPBC-CVKUVNKFSA-N 1 2 412.515 1.526 20 0 HDADLO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2C[N@@H+](Cc3cccc4nsnc43)C[C@@H]21 ZINC001083147913 1076304630 /nfs/dbraw/zinc/30/46/30/1076304630.db2.gz KRMZLDIDJWYPBC-CVKUVNKFSA-N 1 2 412.515 1.526 20 0 HDADLO CC(C)(C)n1cc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cn1 ZINC001083149026 1076307890 /nfs/dbraw/zinc/30/78/90/1076307890.db2.gz UVVPKNQDYZJQRJ-BHNCTZQBSA-N 1 2 400.523 1.473 20 0 HDADLO CC(C)(C)n1cc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cn1 ZINC001083149026 1076307892 /nfs/dbraw/zinc/30/78/92/1076307892.db2.gz UVVPKNQDYZJQRJ-BHNCTZQBSA-N 1 2 400.523 1.473 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cnsn3)cc2)CC1 ZINC000728030963 1076312218 /nfs/dbraw/zinc/31/22/18/1076312218.db2.gz XHDJDFSKMASBPU-UHFFFAOYSA-N 1 2 403.508 1.054 20 0 HDADLO C[N@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000728054541 1076321884 /nfs/dbraw/zinc/32/18/84/1076321884.db2.gz HSRLQARJXHTENG-NSHDSACASA-N 1 2 400.722 1.819 20 0 HDADLO C[N@@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000728054541 1076321890 /nfs/dbraw/zinc/32/18/90/1076321890.db2.gz HSRLQARJXHTENG-NSHDSACASA-N 1 2 400.722 1.819 20 0 HDADLO CCN(CCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C(=O)OC(C)(C)C ZINC000804255678 1076345150 /nfs/dbraw/zinc/34/51/50/1076345150.db2.gz FTIUXCJEOOGIAU-OAHLLOKOSA-N 1 2 407.515 1.499 20 0 HDADLO COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)CCc1c[nH]c[nH+]1)CC2 ZINC000497682271 1076352521 /nfs/dbraw/zinc/35/25/21/1076352521.db2.gz UKVUFZKWMSRBJC-UHFFFAOYSA-N 1 2 400.479 1.841 20 0 HDADLO COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)CCc1c[nH+]c[nH]1)CC2 ZINC000497682271 1076352523 /nfs/dbraw/zinc/35/25/23/1076352523.db2.gz UKVUFZKWMSRBJC-UHFFFAOYSA-N 1 2 400.479 1.841 20 0 HDADLO O=C(C[N@@H+]1CCCC[C@@H]1C1OCCO1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000728173771 1076365030 /nfs/dbraw/zinc/36/50/30/1076365030.db2.gz JMGZEWMWVAZAQM-OAHLLOKOSA-N 1 2 405.451 1.723 20 0 HDADLO O=C(C[N@H+]1CCCC[C@@H]1C1OCCO1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000728173771 1076365037 /nfs/dbraw/zinc/36/50/37/1076365037.db2.gz JMGZEWMWVAZAQM-OAHLLOKOSA-N 1 2 405.451 1.723 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@](C)(c4cccc(Cl)c4)C3=O)CC2)cn1 ZINC000729988214 1076408799 /nfs/dbraw/zinc/40/87/99/1076408799.db2.gz DVUPJDCWMUPKJK-HXUWFJFHSA-N 1 2 416.913 1.616 20 0 HDADLO C[C@H](c1ccccc1)N1C(=O)C(=O)N(CN2CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000729989547 1076409479 /nfs/dbraw/zinc/40/94/79/1076409479.db2.gz XRQZGGMIABTZDL-MRXNPFEDSA-N 1 2 410.478 1.047 20 0 HDADLO O=C(COC(=O)CN1Cc2ccccc2C1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000730053031 1076428360 /nfs/dbraw/zinc/42/83/60/1076428360.db2.gz WRTSPSICRPFTGV-UHFFFAOYSA-N 1 2 423.469 1.657 20 0 HDADLO CCN(C)c1ccccc1CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000730135701 1076460611 /nfs/dbraw/zinc/46/06/11/1076460611.db2.gz KJVUHVWGFYYNNF-UHFFFAOYSA-N 1 2 408.510 1.851 20 0 HDADLO COc1ccccc1[C@H](NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)c1nccn1C ZINC000730115589 1076462281 /nfs/dbraw/zinc/46/22/81/1076462281.db2.gz LVJMJGAXYQRGRZ-APWZRJJASA-N 1 2 400.527 1.453 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)N/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000730203972 1076482359 /nfs/dbraw/zinc/48/23/59/1076482359.db2.gz ZVIIEKQIHPQKKP-SWEXZPIWSA-N 1 2 405.502 1.835 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 ZINC000730251477 1076498103 /nfs/dbraw/zinc/49/81/03/1076498103.db2.gz HWEXUJSMFYUSNL-JOCHJYFZSA-N 1 2 414.506 1.496 20 0 HDADLO COc1ccc(C[C@]2(C)NC(=O)N(C[NH+]3CCC(N(C)C(C)=O)CC3)C2=O)cc1 ZINC000730254160 1076499500 /nfs/dbraw/zinc/49/95/00/1076499500.db2.gz WHHDYMJKMSIBOG-NRFANRHFSA-N 1 2 402.495 1.448 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCCc4ccccc4C3)C2=O)cc1 ZINC000730264290 1076506559 /nfs/dbraw/zinc/50/65/59/1076506559.db2.gz GKKLJSFKXOGZNV-QHCPKHFHSA-N 1 2 422.485 1.942 20 0 HDADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCCc4ccccc4C3)C2=O)cc1 ZINC000730264290 1076506566 /nfs/dbraw/zinc/50/65/66/1076506566.db2.gz GKKLJSFKXOGZNV-QHCPKHFHSA-N 1 2 422.485 1.942 20 0 HDADLO COc1cccc(N2CC[NH+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)CC2)c1 ZINC000030964114 1076536352 /nfs/dbraw/zinc/53/63/52/1076536352.db2.gz MATWYKFDIDEIOB-UHFFFAOYSA-N 1 2 414.481 1.865 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000730549817 1076599077 /nfs/dbraw/zinc/59/90/77/1076599077.db2.gz PZSQJLNQNXGEKY-UHFFFAOYSA-N 1 2 414.897 1.753 20 0 HDADLO CCOC(=O)C1=C(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)NC(=O)N[C@@H]1C ZINC000730570848 1076605770 /nfs/dbraw/zinc/60/57/70/1076605770.db2.gz RNIXKSJBNCGRML-CYBMUJFWSA-N 1 2 410.515 1.836 20 0 HDADLO C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730671669 1076634869 /nfs/dbraw/zinc/63/48/69/1076634869.db2.gz MAHBJHCAKRQFEM-HZPDHXFCSA-N 1 2 408.518 1.868 20 0 HDADLO C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730671669 1076634877 /nfs/dbraw/zinc/63/48/77/1076634877.db2.gz MAHBJHCAKRQFEM-HZPDHXFCSA-N 1 2 408.518 1.868 20 0 HDADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@H+](C)C[C@H]2CCCOC2)c1=O ZINC000730804464 1076655654 /nfs/dbraw/zinc/65/56/54/1076655654.db2.gz VUYQCIUSBQBGIU-OAHLLOKOSA-N 1 2 410.540 1.389 20 0 HDADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@@H+](C)C[C@H]2CCCOC2)c1=O ZINC000730804464 1076655659 /nfs/dbraw/zinc/65/56/59/1076655659.db2.gz VUYQCIUSBQBGIU-OAHLLOKOSA-N 1 2 410.540 1.389 20 0 HDADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000730833527 1076674295 /nfs/dbraw/zinc/67/42/95/1076674295.db2.gz MSQNTEOTCZRUDA-VORVDVFJSA-N 1 2 420.469 1.475 20 0 HDADLO CN1CC[NH+](CC2CCN(C(=O)c3sccc3S(=O)(=O)C(F)F)CC2)CC1 ZINC000731058546 1076720394 /nfs/dbraw/zinc/72/03/94/1076720394.db2.gz IVLKEYYXNYVSMV-UHFFFAOYSA-N 1 2 421.535 1.844 20 0 HDADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000685841555 1126106364 /nfs/dbraw/zinc/10/63/64/1126106364.db2.gz UCGWAOCMRCRTMX-DZGCQCFKSA-N 1 2 406.430 1.162 20 0 HDADLO C[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccc(S(C)(=O)=O)cc1 ZINC000032797384 525565968 /nfs/dbraw/zinc/56/59/68/525565968.db2.gz BLRMDKUEGGDEQB-CYBMUJFWSA-N 1 2 411.487 1.836 20 0 HDADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164636829 719268705 /nfs/dbraw/zinc/26/87/05/719268705.db2.gz XNCCGQJCNKBZSI-FPLPWBNLSA-N 1 2 416.522 1.417 20 0 HDADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164636829 719268707 /nfs/dbraw/zinc/26/87/07/719268707.db2.gz XNCCGQJCNKBZSI-FPLPWBNLSA-N 1 2 416.522 1.417 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)C1=O ZINC001164636523 719271668 /nfs/dbraw/zinc/27/16/68/719271668.db2.gz UZEQCBCFIODVST-KRWDZBQOSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)C1=O ZINC001164636523 719271670 /nfs/dbraw/zinc/27/16/70/719271670.db2.gz UZEQCBCFIODVST-KRWDZBQOSA-N 1 2 400.882 1.622 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(N4CCCCCC4)n3)CC2)C1=O ZINC001164644278 719282013 /nfs/dbraw/zinc/28/20/13/719282013.db2.gz GRHJLMLRGXSHQN-UHFFFAOYSA-N 1 2 416.570 1.616 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(N4CCCCCC4)n3)CC2)C1=O ZINC001164644278 719282014 /nfs/dbraw/zinc/28/20/14/719282014.db2.gz GRHJLMLRGXSHQN-UHFFFAOYSA-N 1 2 416.570 1.616 20 0 HDADLO NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164677601 719528492 /nfs/dbraw/zinc/52/84/92/719528492.db2.gz GKMVQHBUAUZLTI-UHFFFAOYSA-N 1 2 421.498 1.135 20 0 HDADLO NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164677601 719528494 /nfs/dbraw/zinc/52/84/94/719528494.db2.gz GKMVQHBUAUZLTI-UHFFFAOYSA-N 1 2 421.498 1.135 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(N2CCCC2)n1 ZINC001164705298 719837272 /nfs/dbraw/zinc/83/72/72/719837272.db2.gz UTAPOHSHUAMPFZ-UTKZUKDTSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(N2CCCC2)n1 ZINC001164705300 719837488 /nfs/dbraw/zinc/83/74/88/719837488.db2.gz UTAPOHSHUAMPFZ-UWJYYQICSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(N2CCCCC2)nn1 ZINC001164700918 719838440 /nfs/dbraw/zinc/83/84/40/719838440.db2.gz LFLMFRMZVXVVRL-LAUBAEHRSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(N2CCCCC2)nn1 ZINC001164700923 719838528 /nfs/dbraw/zinc/83/85/28/719838528.db2.gz LFLMFRMZVXVVRL-UWJYYQICSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2[nH]cc(F)c21 ZINC001164705267 719838763 /nfs/dbraw/zinc/83/87/63/719838763.db2.gz UPKDDEHTJCRBRS-BBATYDOGSA-N 1 2 411.865 1.983 20 0 HDADLO COC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164701420 719841733 /nfs/dbraw/zinc/84/17/33/719841733.db2.gz MEIOXPCWMOYJSS-AUUYWEPGSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1cc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1 ZINC001164701423 719841809 /nfs/dbraw/zinc/84/18/09/719841809.db2.gz MEIOXPCWMOYJSS-IFXJQAMLSA-N 1 2 411.886 1.754 20 0 HDADLO CCOC(=O)Cc1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706055 719843872 /nfs/dbraw/zinc/84/38/72/719843872.db2.gz WDQRXJANJDIYJC-UWJYYQICSA-N 1 2 405.495 1.420 20 0 HDADLO COC(=O)c1cc(OC)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703929 719848762 /nfs/dbraw/zinc/84/87/62/719848762.db2.gz RFYCNCHYVSTOQB-VLIAUNLRSA-N 1 2 407.467 1.110 20 0 HDADLO COC(=O)c1c(C)cc(C)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164699483 719853275 /nfs/dbraw/zinc/85/32/75/719853275.db2.gz FRCAFNDWJRZTFB-HRAATJIYSA-N 1 2 405.495 1.718 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(OC)ccc2n1 ZINC001164704644 719856786 /nfs/dbraw/zinc/85/67/86/719856786.db2.gz SCQIWRLDILJSPD-IIBYNOLFSA-N 1 2 400.479 1.871 20 0 HDADLO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncc1C ZINC001164697759 719856823 /nfs/dbraw/zinc/85/68/23/719856823.db2.gz AGIMZERZJANTIM-HRAATJIYSA-N 1 2 405.495 1.799 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(OC)n1 ZINC001164700624 719858691 /nfs/dbraw/zinc/85/86/91/719858691.db2.gz IHXXDDFWRYAAGF-BTYIYWSLSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(Cl)cnc21 ZINC001164706677 719858815 /nfs/dbraw/zinc/85/88/15/719858815.db2.gz YLJHUZBXKPRIKS-IFXJQAMLSA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2c(OC)n1 ZINC001164700631 719858819 /nfs/dbraw/zinc/85/88/19/719858819.db2.gz IHXXDDFWRYAAGF-YCRPNKLZSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C(=O)N(C)OC ZINC001164702372 719863564 /nfs/dbraw/zinc/86/35/64/719863564.db2.gz IPYGDNGSSGEZFO-IERDGZPVSA-N 1 2 420.510 1.256 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C)no2)ccn1 ZINC001164706223 719870363 /nfs/dbraw/zinc/87/03/63/719870363.db2.gz PDDSNCUVRTZRFI-JXFKEZNVSA-N 1 2 401.467 1.673 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCC[C@H](C)C2)ncn1 ZINC001164702946 719873784 /nfs/dbraw/zinc/87/37/84/719873784.db2.gz JIGKUTDLODBZEM-SVMVAKDDSA-N 1 2 417.554 1.946 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C)CC2 ZINC001164703718 719877271 /nfs/dbraw/zinc/87/72/71/719877271.db2.gz KFYAQICYVKBEQD-VBKZILBWSA-N 1 2 423.945 1.351 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164708408 719908771 /nfs/dbraw/zinc/90/87/71/719908771.db2.gz CPBIDHXCCXVLJM-IBGZPJMESA-N 1 2 422.892 1.546 20 0 HDADLO Cc1nnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c2ccccc12 ZINC001164708792 719922789 /nfs/dbraw/zinc/92/27/89/719922789.db2.gz QOTNXDUIMANUJJ-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(C(C)(C)C)n1 ZINC001164708789 719925730 /nfs/dbraw/zinc/92/57/30/719925730.db2.gz QKEQCUNNIIJIEF-UHFFFAOYSA-N 1 2 411.554 1.766 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164705547 719935567 /nfs/dbraw/zinc/93/55/67/719935567.db2.gz ZZFNODXQYILZGQ-UHFFFAOYSA-N 1 2 414.901 1.247 20 0 HDADLO COc1cc(Cl)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164703798 719936128 /nfs/dbraw/zinc/93/61/28/719936128.db2.gz MWKNUBVJHWZPEC-UHFFFAOYSA-N 1 2 404.902 1.427 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(=O)OC)ccc3Cl)C2)C1 ZINC001164720456 720258244 /nfs/dbraw/zinc/25/82/44/720258244.db2.gz WJXLDRBBGVNEGE-IBGZPJMESA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(=O)OC)ccc3Cl)C2)C1 ZINC001164720456 720258251 /nfs/dbraw/zinc/25/82/51/720258251.db2.gz WJXLDRBBGVNEGE-IBGZPJMESA-N 1 2 410.902 1.186 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)nnc3Cl)C2)C1 ZINC001164721302 720289869 /nfs/dbraw/zinc/28/98/69/720289869.db2.gz JIINBGQOXRFJRX-KRWDZBQOSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)nnc3Cl)C2)C1 ZINC001164721302 720289879 /nfs/dbraw/zinc/28/98/79/720289879.db2.gz JIINBGQOXRFJRX-KRWDZBQOSA-N 1 2 417.888 1.648 20 0 HDADLO Cc1nc2ccoc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822102 720428611 /nfs/dbraw/zinc/42/86/11/720428611.db2.gz BEHOESQAGNNUFJ-INIZCTEOSA-N 1 2 412.494 1.717 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3ncccc31)C2 ZINC001164823405 720436149 /nfs/dbraw/zinc/43/61/49/720436149.db2.gz JFILIIXQIZUIAQ-KRWDZBQOSA-N 1 2 408.506 1.816 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3ncccc31)C2 ZINC001164823406 720436577 /nfs/dbraw/zinc/43/65/77/720436577.db2.gz JFILIIXQIZUIAQ-QGZVFWFLSA-N 1 2 408.506 1.816 20 0 HDADLO COCc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164825773 720444074 /nfs/dbraw/zinc/44/40/74/720444074.db2.gz UWPHOADNNSNROO-GOSISDBHSA-N 1 2 401.511 1.414 20 0 HDADLO Cc1nc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164825317 720452922 /nfs/dbraw/zinc/45/29/22/720452922.db2.gz REUSCNKSQVJUJJ-INIZCTEOSA-N 1 2 420.945 1.933 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3ccccc3nn1)C2 ZINC001164826359 720454127 /nfs/dbraw/zinc/45/41/27/720454127.db2.gz VZSIWLSYHQYCMC-GOSISDBHSA-N 1 2 408.506 1.816 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)c(F)cc1N)C2 ZINC001164833052 720465601 /nfs/dbraw/zinc/46/56/01/720465601.db2.gz XLFJGFVNAYUKKK-ZDUSSCGKSA-N 1 2 424.908 1.642 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1N)C2 ZINC001164833070 720467955 /nfs/dbraw/zinc/46/79/55/720467955.db2.gz XZLWZAOBJPSREF-CQSZACIVSA-N 1 2 406.918 1.503 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cl)c(N)n1)C2 ZINC001164834815 720482804 /nfs/dbraw/zinc/48/28/04/720482804.db2.gz VKABJUGLXBYOPA-AWEZNQCLSA-N 1 2 406.918 1.503 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4S(=O)(=O)CC5)C[C@H]3C2)cn1 ZINC001164768003 721242577 /nfs/dbraw/zinc/24/25/77/721242577.db2.gz XKRBSRZFUJNJQL-ZIAGYGMSSA-N 1 2 422.942 1.152 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4S(=O)(=O)CC5)C[C@H]3C2)cn1 ZINC001164768003 721242580 /nfs/dbraw/zinc/24/25/80/721242580.db2.gz XKRBSRZFUJNJQL-ZIAGYGMSSA-N 1 2 422.942 1.152 20 0 HDADLO COCCN1C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1=O ZINC001164902688 721572883 /nfs/dbraw/zinc/57/28/83/721572883.db2.gz LFGXBMNYHBMOHP-RBUKOAKNSA-N 1 2 407.518 1.576 20 0 HDADLO COCCN1C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1=O ZINC001164902688 721572885 /nfs/dbraw/zinc/57/28/85/721572885.db2.gz LFGXBMNYHBMOHP-RBUKOAKNSA-N 1 2 407.518 1.576 20 0 HDADLO CN1CCN(c2nccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)CC1 ZINC001164802622 721584838 /nfs/dbraw/zinc/58/48/38/721584838.db2.gz HHHACGHNZBVYCQ-RZUBCFFCSA-N 1 2 423.565 1.492 20 0 HDADLO CN1CCN(c2nccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)CC1 ZINC001164802622 721584840 /nfs/dbraw/zinc/58/48/40/721584840.db2.gz HHHACGHNZBVYCQ-RZUBCFFCSA-N 1 2 423.565 1.492 20 0 HDADLO COC(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1C(=O)OC ZINC001165010462 721697051 /nfs/dbraw/zinc/69/70/51/721697051.db2.gz WNUCXFMEPIDHRQ-UHFFFAOYSA-N 1 2 416.482 1.497 20 0 HDADLO COC(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1C(=O)OC ZINC001165010462 721697057 /nfs/dbraw/zinc/69/70/57/721697057.db2.gz WNUCXFMEPIDHRQ-UHFFFAOYSA-N 1 2 416.482 1.497 20 0 HDADLO COC(=O)c1cc(C)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915220 721787373 /nfs/dbraw/zinc/78/73/73/721787373.db2.gz KLGVLMOKBBYFAO-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1cc(C)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915220 721787377 /nfs/dbraw/zinc/78/73/77/721787377.db2.gz KLGVLMOKBBYFAO-JOCHJYFZSA-N 1 2 412.490 1.679 20 0 HDADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cncc(N5CCCCC5)n4)CCO3)C2)c1 ZINC001164915228 721790605 /nfs/dbraw/zinc/79/06/05/721790605.db2.gz KMXQSUNESUOSMJ-HSZRJFAPSA-N 1 2 424.549 1.970 20 0 HDADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cncc(N5CCCCC5)n4)CCO3)C2)c1 ZINC001164915228 721790609 /nfs/dbraw/zinc/79/06/09/721790609.db2.gz KMXQSUNESUOSMJ-HSZRJFAPSA-N 1 2 424.549 1.970 20 0 HDADLO CC(C)n1cnc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164913483 721794534 /nfs/dbraw/zinc/79/45/34/721794534.db2.gz DPUHYGYTMQNALL-QFIPXVFZSA-N 1 2 423.521 1.910 20 0 HDADLO CC(C)n1cnc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164913483 721794541 /nfs/dbraw/zinc/79/45/41/721794541.db2.gz DPUHYGYTMQNALL-QFIPXVFZSA-N 1 2 423.521 1.910 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc3c(n2)N2CCC[C@H]2C(=O)N3C)CC1 ZINC001164917911 721816088 /nfs/dbraw/zinc/81/60/88/721816088.db2.gz QHDQOMUOXOYZQU-INIZCTEOSA-N 1 2 422.537 1.368 20 0 HDADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@H]21 ZINC001164947624 721960769 /nfs/dbraw/zinc/96/07/69/721960769.db2.gz QGHBVJFCTJEUID-QZTJIDSGSA-N 1 2 416.551 1.724 20 0 HDADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164947665 721978431 /nfs/dbraw/zinc/97/84/31/721978431.db2.gz PYAJYBMPIPBTIV-UHFFFAOYSA-N 1 2 407.518 1.802 20 0 HDADLO CCNC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164947665 721978432 /nfs/dbraw/zinc/97/84/32/721978432.db2.gz PYAJYBMPIPBTIV-UHFFFAOYSA-N 1 2 407.518 1.802 20 0 HDADLO CN(C)C(=O)c1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948932 721978683 /nfs/dbraw/zinc/97/86/83/721978683.db2.gz NKCWRFVQVFJQHM-UHFFFAOYSA-N 1 2 408.506 1.149 20 0 HDADLO CN(C)C(=O)c1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948932 721978685 /nfs/dbraw/zinc/97/86/85/721978685.db2.gz NKCWRFVQVFJQHM-UHFFFAOYSA-N 1 2 408.506 1.149 20 0 HDADLO CCS(=O)(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971744 722159183 /nfs/dbraw/zinc/15/91/83/722159183.db2.gz FCOWJZGOTGXBJX-QUCCMNQESA-N 1 2 416.547 1.998 20 0 HDADLO CCS(=O)(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971744 722159185 /nfs/dbraw/zinc/15/91/85/722159185.db2.gz FCOWJZGOTGXBJX-QUCCMNQESA-N 1 2 416.547 1.998 20 0 HDADLO Cc1c(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)nnn1-c1ccccc1Br ZINC001299281182 1073463093 /nfs/dbraw/zinc/46/30/93/1073463093.db2.gz LACHWTCGJGNQSG-LBPRGKRZSA-N 1 2 408.300 1.477 20 0 HDADLO Cc1c(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)nnn1-c1ccccc1Br ZINC001299281182 1073463098 /nfs/dbraw/zinc/46/30/98/1073463098.db2.gz LACHWTCGJGNQSG-LBPRGKRZSA-N 1 2 408.300 1.477 20 0 HDADLO COCCCS(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000429062133 1073497967 /nfs/dbraw/zinc/49/79/67/1073497967.db2.gz SYIAMCODGYXOCD-UHFFFAOYSA-N 1 2 403.932 1.653 20 0 HDADLO COc1ccc(C[N@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 ZINC000021921207 1073509869 /nfs/dbraw/zinc/50/98/69/1073509869.db2.gz YBCJOSWTQQSICN-UHFFFAOYSA-N 1 2 421.519 1.142 20 0 HDADLO COc1ccc(C[N@@H+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 ZINC000021921207 1073509879 /nfs/dbraw/zinc/50/98/79/1073509879.db2.gz YBCJOSWTQQSICN-UHFFFAOYSA-N 1 2 421.519 1.142 20 0 HDADLO C[C@H](c1cccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1)[NH+]1CCOCC1 ZINC000429081377 1073525023 /nfs/dbraw/zinc/52/50/23/1073525023.db2.gz FVSCHRPDXKGJPA-MRXNPFEDSA-N 1 2 412.494 1.694 20 0 HDADLO Cc1cc(C(=O)CN2CC[NH+](CCO)CC2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000096965889 1073536753 /nfs/dbraw/zinc/53/67/53/1073536753.db2.gz INYMQCFLLPFZBW-LJQANCHMSA-N 1 2 413.518 1.738 20 0 HDADLO NS(=O)(=O)c1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)s2)cc1 ZINC000429111545 1073598899 /nfs/dbraw/zinc/59/88/99/1073598899.db2.gz GMYINJVYRFSKEA-MRXNPFEDSA-N 1 2 406.533 1.947 20 0 HDADLO NS(=O)(=O)c1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)s2)cc1 ZINC000429111545 1073598912 /nfs/dbraw/zinc/59/89/12/1073598912.db2.gz GMYINJVYRFSKEA-MRXNPFEDSA-N 1 2 406.533 1.947 20 0 HDADLO COc1cccc(C(=O)NCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000673658173 1073599507 /nfs/dbraw/zinc/59/95/07/1073599507.db2.gz PKGDAMJHKOHTHS-UHFFFAOYSA-N 1 2 411.506 1.996 20 0 HDADLO O=C(N[C@@H](CCCO)c1ccccc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000509122942 1073601911 /nfs/dbraw/zinc/60/19/11/1073601911.db2.gz LHNNNZVPNHDEND-PMACEKPBSA-N 1 2 403.523 1.330 20 0 HDADLO Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000028178101 1073603761 /nfs/dbraw/zinc/60/37/61/1073603761.db2.gz NWAJRXIFHKKXET-KRWDZBQOSA-N 1 2 407.522 1.541 20 0 HDADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)CC2 ZINC000673681078 1073634907 /nfs/dbraw/zinc/63/49/07/1073634907.db2.gz ZMUFQCBIEKREEQ-GOSISDBHSA-N 1 2 400.504 1.543 20 0 HDADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)CC2 ZINC000673681078 1073634915 /nfs/dbraw/zinc/63/49/15/1073634915.db2.gz ZMUFQCBIEKREEQ-GOSISDBHSA-N 1 2 400.504 1.543 20 0 HDADLO Cc1cccn2cc(CCNC(=O)c3ccc(CCNS(C)(=O)=O)cc3)[nH+]c12 ZINC000673726104 1073656995 /nfs/dbraw/zinc/65/69/95/1073656995.db2.gz RTVKJLSWEHOHDY-UHFFFAOYSA-N 1 2 400.504 1.707 20 0 HDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509134894 1073690153 /nfs/dbraw/zinc/69/01/53/1073690153.db2.gz DBLLDJQRRJTAFH-NSHDSACASA-N 1 2 403.867 1.342 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)[nH+]c12 ZINC000673773735 1073706487 /nfs/dbraw/zinc/70/64/87/1073706487.db2.gz VPDXOEHXBVISSJ-QFIPXVFZSA-N 1 2 420.473 1.739 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)[nH+]c12 ZINC000673775210 1073709058 /nfs/dbraw/zinc/70/90/58/1073709058.db2.gz AAJWMXWMGFMFSV-UHFFFAOYSA-N 1 2 412.538 1.525 20 0 HDADLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673782148 1073719868 /nfs/dbraw/zinc/71/98/68/1073719868.db2.gz AEQVFPQSACNWQA-VQIMIIECSA-N 1 2 416.522 1.477 20 0 HDADLO COCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000673783508 1073721100 /nfs/dbraw/zinc/72/11/00/1073721100.db2.gz VHPWRVWFJKMARU-SFHVURJKSA-N 1 2 405.495 1.282 20 0 HDADLO O=C(Nc1ccccc1OCC(F)(F)F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783065 1073722165 /nfs/dbraw/zinc/72/21/65/1073722165.db2.gz FCRWIQNMYIWMJO-AWEZNQCLSA-N 1 2 415.412 1.889 20 0 HDADLO O=C(Nc1ccc(F)cc1OCC1CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785101 1073728845 /nfs/dbraw/zinc/72/88/45/1073728845.db2.gz NUZQZGQFLSSJMI-QGZVFWFLSA-N 1 2 405.470 1.876 20 0 HDADLO O=C(Nc1ccc(OC2CCCC2)nc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785721 1073730595 /nfs/dbraw/zinc/73/05/95/1073730595.db2.gz XYKBBHMVWRBWDD-SFHVURJKSA-N 1 2 402.495 1.665 20 0 HDADLO O=C(Nc1ccc(NC(=O)C2CC2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785807 1073731086 /nfs/dbraw/zinc/73/10/86/1073731086.db2.gz ZZNXMSSWSGQNCN-SFHVURJKSA-N 1 2 400.479 1.297 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)[nH+]c12 ZINC000673786650 1073731137 /nfs/dbraw/zinc/73/11/37/1073731137.db2.gz JBYRXPQNVOHNLW-UHFFFAOYSA-N 1 2 406.446 1.131 20 0 HDADLO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000673786487 1073731251 /nfs/dbraw/zinc/73/12/51/1073731251.db2.gz FTALUIFKPBMAJU-UHFFFAOYSA-N 1 2 409.446 1.308 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)[nH+]c12 ZINC000673786526 1073731265 /nfs/dbraw/zinc/73/12/65/1073731265.db2.gz GKZHNEJUVNVQKK-UHFFFAOYSA-N 1 2 423.473 1.407 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(C)c(-n4cnnn4)c3)[nH+]c12 ZINC000673788587 1073741362 /nfs/dbraw/zinc/74/13/62/1073741362.db2.gz NFRHNEMRJORIOQ-UHFFFAOYSA-N 1 2 404.434 1.224 20 0 HDADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC(OCc2ccccc2)C1 ZINC000673801405 1073749460 /nfs/dbraw/zinc/74/94/60/1073749460.db2.gz XEHMOAKBEYEYOL-IOJLRTSASA-N 1 2 401.507 1.031 20 0 HDADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)s1 ZINC000673825217 1073770705 /nfs/dbraw/zinc/77/07/05/1073770705.db2.gz LCXWOSPZHQKFFE-ZDUSSCGKSA-N 1 2 401.554 1.431 20 0 HDADLO Cc1nnc(CN(C)CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1C ZINC000509155279 1073779210 /nfs/dbraw/zinc/77/92/10/1073779210.db2.gz RWFHUIJQWQQSBN-UHFFFAOYSA-N 1 2 420.945 1.432 20 0 HDADLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000216301320 1073782437 /nfs/dbraw/zinc/78/24/37/1073782437.db2.gz SMVVWUNZJLANIP-MRXNPFEDSA-N 1 2 411.531 1.579 20 0 HDADLO O=C(N[C@H]1CCN(C2CCOCC2)C1=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000673855443 1073822871 /nfs/dbraw/zinc/82/28/71/1073822871.db2.gz SJLADJLNYLRFKV-PMACEKPBSA-N 1 2 401.507 1.081 20 0 HDADLO COCc1ccc(SCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000673891252 1073863820 /nfs/dbraw/zinc/86/38/20/1073863820.db2.gz HPVVGOGOLIZVBZ-UHFFFAOYSA-N 1 2 412.519 1.951 20 0 HDADLO COC(=O)[C@H](CC(C)C)N(C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000429163163 1073888210 /nfs/dbraw/zinc/88/82/10/1073888210.db2.gz ZJTHBYLDZSMVQC-FQEVSTJZSA-N 1 2 417.550 1.785 20 0 HDADLO CCOC(=O)c1oc2ccccc2c1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766042165 1073897982 /nfs/dbraw/zinc/89/79/82/1073897982.db2.gz GMDIBKMWLMJWPH-UHFFFAOYSA-N 1 2 410.492 1.751 20 0 HDADLO CO[C@H](CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccc(F)cc1 ZINC000466563408 1073937447 /nfs/dbraw/zinc/93/74/47/1073937447.db2.gz BFTKVCKWVOSVTB-QGZVFWFLSA-N 1 2 413.457 1.722 20 0 HDADLO CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000429176367 1073951562 /nfs/dbraw/zinc/95/15/62/1073951562.db2.gz WWPXFIFSJLFBNT-QZTJIDSGSA-N 1 2 420.539 1.243 20 0 HDADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000429176130 1073953029 /nfs/dbraw/zinc/95/30/29/1073953029.db2.gz WKQYQUWWKGFLGN-IXDOHACOSA-N 1 2 401.429 1.985 20 0 HDADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000429176130 1073953031 /nfs/dbraw/zinc/95/30/31/1073953031.db2.gz WKQYQUWWKGFLGN-IXDOHACOSA-N 1 2 401.429 1.985 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429180738 1073972892 /nfs/dbraw/zinc/97/28/92/1073972892.db2.gz KNYIFFVTVSKGEO-VWPQPMDRSA-N 1 2 423.529 1.234 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000014731109 1074025030 /nfs/dbraw/zinc/02/50/30/1074025030.db2.gz KWEVQOLQNQPQDZ-UHFFFAOYSA-N 1 2 405.462 1.453 20 0 HDADLO CC(C)N(c1ccc(N2CCOCC2)cc1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766048348 1074036569 /nfs/dbraw/zinc/03/65/69/1074036569.db2.gz HDBSRQRJJMEXJS-UHFFFAOYSA-N 1 2 411.568 1.790 20 0 HDADLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2CN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000429191964 1074041969 /nfs/dbraw/zinc/04/19/69/1074041969.db2.gz GAZAKIKXKAWVRK-GJZGRUSLSA-N 1 2 410.540 1.309 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCc1ccc(Br)cc1F ZINC000766047927 1074046982 /nfs/dbraw/zinc/04/69/82/1074046982.db2.gz CGPXPHKHPFAPCG-UHFFFAOYSA-N 1 2 409.321 1.772 20 0 HDADLO O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429197297 1074049131 /nfs/dbraw/zinc/04/91/31/1074049131.db2.gz OFUCBCHNEGQIQP-KRWDZBQOSA-N 1 2 403.446 1.877 20 0 HDADLO O=C(Cc1cc2ccccc2c(=O)[nH]1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001626094254 1074080876 /nfs/dbraw/zinc/08/08/76/1074080876.db2.gz XGOPIZHNJASHKQ-UHFFFAOYSA-N 1 2 419.485 1.733 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000674025281 1074086101 /nfs/dbraw/zinc/08/61/01/1074086101.db2.gz VDCHHCNZSIBRGJ-ZDUSSCGKSA-N 1 2 410.508 1.484 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCCC3CC[NH+](C)CC3)s[nH]2)c1 ZINC000543555842 1074091911 /nfs/dbraw/zinc/09/19/11/1074091911.db2.gz ZAUWMLQQLQFOHE-UHFFFAOYSA-N 1 2 403.508 1.422 20 0 HDADLO NC(=O)C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCOCC1 ZINC000466622579 1074141679 /nfs/dbraw/zinc/14/16/79/1074141679.db2.gz FHKTYUUNPBXRCX-GOSISDBHSA-N 1 2 413.478 1.312 20 0 HDADLO CC[C@H](C)[C@H](NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)C(=O)OC ZINC000032489572 1074169105 /nfs/dbraw/zinc/16/91/05/1074169105.db2.gz NRHDQGOPTBQMHR-KKSFZXQISA-N 1 2 419.522 1.279 20 0 HDADLO O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202590 1074218041 /nfs/dbraw/zinc/21/80/41/1074218041.db2.gz TXZAVGXVQUVXID-ZWKOTPCHSA-N 1 2 411.462 1.803 20 0 HDADLO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202886 1074218056 /nfs/dbraw/zinc/21/80/56/1074218056.db2.gz XNNQPMHETCWCDX-QGZVFWFLSA-N 1 2 406.450 1.674 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000674203725 1074219001 /nfs/dbraw/zinc/21/90/01/1074219001.db2.gz PVAKLDGJHMUMCC-MRXNPFEDSA-N 1 2 419.507 1.755 20 0 HDADLO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674203482 1074219383 /nfs/dbraw/zinc/21/93/83/1074219383.db2.gz NDEICYRDPUPBKN-QGZVFWFLSA-N 1 2 419.507 1.837 20 0 HDADLO C[C@H](c1ccccc1)[C@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000674215437 1074228874 /nfs/dbraw/zinc/22/88/74/1074228874.db2.gz HQCQNPXWHLGDPM-GCJKJVERSA-N 1 2 424.545 1.653 20 0 HDADLO COCCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000674275516 1074254375 /nfs/dbraw/zinc/25/43/75/1074254375.db2.gz LHUNBVCTDBKAJS-AWEZNQCLSA-N 1 2 420.337 1.113 20 0 HDADLO COc1ccc(S(=O)(=O)CCC(=O)NCC[NH+]2CCC(OC)CC2)cc1OC ZINC000674323970 1074272816 /nfs/dbraw/zinc/27/28/16/1074272816.db2.gz JZGFQKRUGWAUFI-UHFFFAOYSA-N 1 2 414.524 1.095 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCOc2cccc(C(N)=O)c2)CC1 ZINC000674354895 1074294997 /nfs/dbraw/zinc/29/49/97/1074294997.db2.gz ODIZLQMHHAPPOI-UHFFFAOYSA-N 1 2 410.474 1.581 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000674369102 1074297982 /nfs/dbraw/zinc/29/79/82/1074297982.db2.gz XZPVVLUCZSONSC-FQEVSTJZSA-N 1 2 422.529 1.779 20 0 HDADLO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674368528 1074298453 /nfs/dbraw/zinc/29/84/53/1074298453.db2.gz PKTAHIMPGHCKLP-APWZRJJASA-N 1 2 405.539 1.254 20 0 HDADLO Cc1cc(Br)ccc1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674397728 1074310684 /nfs/dbraw/zinc/31/06/84/1074310684.db2.gz MLOMZCZWFDOAKI-INIZCTEOSA-N 1 2 400.317 1.592 20 0 HDADLO Cn1nccc1[C@H]1[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC(=O)N1C ZINC000509225255 1074332889 /nfs/dbraw/zinc/33/28/89/1074332889.db2.gz HDWCBQNHNLCYPR-YLJYHZDGSA-N 1 2 410.522 1.879 20 0 HDADLO CC(C)(CNC(=O)CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000674463652 1074355646 /nfs/dbraw/zinc/35/56/46/1074355646.db2.gz RFILDTOFTFSLIY-RYUDHWBXSA-N 1 2 405.383 1.886 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000674501353 1074394398 /nfs/dbraw/zinc/39/43/98/1074394398.db2.gz KFTQXMRUBIWLJQ-AWEZNQCLSA-N 1 2 416.375 1.429 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000674501353 1074394408 /nfs/dbraw/zinc/39/44/08/1074394408.db2.gz KFTQXMRUBIWLJQ-AWEZNQCLSA-N 1 2 416.375 1.429 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCc3ccc(COC(C)C)cc3)CCN2C1=O ZINC000674500648 1074395011 /nfs/dbraw/zinc/39/50/11/1074395011.db2.gz CYXCPCHDWFDAAD-SFHVURJKSA-N 1 2 402.495 1.196 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCc3ccc(COC(C)C)cc3)CCN2C1=O ZINC000674500648 1074395017 /nfs/dbraw/zinc/39/50/17/1074395017.db2.gz CYXCPCHDWFDAAD-SFHVURJKSA-N 1 2 402.495 1.196 20 0 HDADLO C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1noc(-c2ccccc2)n1 ZINC000674614364 1074484313 /nfs/dbraw/zinc/48/43/13/1074484313.db2.gz YMVUPLLGGNLQFW-RDJZCZTQSA-N 1 2 413.478 1.237 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000674713825 1074533368 /nfs/dbraw/zinc/53/33/68/1074533368.db2.gz ADTMLRMJSVXGEB-OAHLLOKOSA-N 1 2 413.540 1.511 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000674713825 1074533373 /nfs/dbraw/zinc/53/33/73/1074533373.db2.gz ADTMLRMJSVXGEB-OAHLLOKOSA-N 1 2 413.540 1.511 20 0 HDADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000674720121 1074539301 /nfs/dbraw/zinc/53/93/01/1074539301.db2.gz XWXZGPUTHBLLRF-DZGCQCFKSA-N 1 2 401.554 1.288 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)c3cc(C)n(-c4nccs4)c3C)CCN2C1=O ZINC000674754421 1074548117 /nfs/dbraw/zinc/54/81/17/1074548117.db2.gz NWWZGKPHGLVOIW-HNNXBMFYSA-N 1 2 401.492 1.702 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)c3cc(C)n(-c4nccs4)c3C)CCN2C1=O ZINC000674754421 1074548127 /nfs/dbraw/zinc/54/81/27/1074548127.db2.gz NWWZGKPHGLVOIW-HNNXBMFYSA-N 1 2 401.492 1.702 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN([C@H](C)C(=O)N4CCCC4)CC3)[nH+]c12 ZINC000674780222 1074554260 /nfs/dbraw/zinc/55/42/60/1074554260.db2.gz JLFHPKCZGGSWSE-GOSISDBHSA-N 1 2 412.538 1.523 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)c4ccc(Br)cc4C3=O)CC2)cn1 ZINC000766069373 1074566080 /nfs/dbraw/zinc/56/60/80/1074566080.db2.gz NCSAZTWTSSIVNY-UHFFFAOYSA-N 1 2 418.295 1.554 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000674975734 1074649456 /nfs/dbraw/zinc/64/94/56/1074649456.db2.gz NUROGRKFWATEKQ-MOPGFXCFSA-N 1 2 402.495 1.486 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000429310164 1074672453 /nfs/dbraw/zinc/67/24/53/1074672453.db2.gz OKDNIFXGMRNGIL-SOUVJXGZSA-N 1 2 410.540 1.593 20 0 HDADLO Cc1cc(N2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)nc(C(C)C)[nH+]1 ZINC000498171582 1074674981 /nfs/dbraw/zinc/67/49/81/1074674981.db2.gz DSOCMRAJTUDRNQ-UHFFFAOYSA-N 1 2 411.510 1.729 20 0 HDADLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000766089340 1074696917 /nfs/dbraw/zinc/69/69/17/1074696917.db2.gz QCAWETDJUUYNDC-QGZVFWFLSA-N 1 2 423.579 1.923 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001034324239 1074698701 /nfs/dbraw/zinc/69/87/01/1074698701.db2.gz NWKXMRVJVHRGRM-UWGWQUPMSA-N 1 2 401.511 1.359 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001034324239 1074698709 /nfs/dbraw/zinc/69/87/09/1074698709.db2.gz NWKXMRVJVHRGRM-UWGWQUPMSA-N 1 2 401.511 1.359 20 0 HDADLO Cc1noc([C@H]2CCCN2C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC000509306598 1074703110 /nfs/dbraw/zinc/70/31/10/1074703110.db2.gz SMZWDCWKMPNUBQ-GOSISDBHSA-N 1 2 412.494 1.428 20 0 HDADLO Cc1cc(F)c(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1F ZINC000675096207 1074708496 /nfs/dbraw/zinc/70/84/96/1074708496.db2.gz VKPSNCGNZLNIMF-UHFFFAOYSA-N 1 2 403.433 1.862 20 0 HDADLO Cc1cc(F)c(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1F ZINC000675096207 1074708506 /nfs/dbraw/zinc/70/85/06/1074708506.db2.gz VKPSNCGNZLNIMF-UHFFFAOYSA-N 1 2 403.433 1.862 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)ccn2)CC1 ZINC000543614498 1074723980 /nfs/dbraw/zinc/72/39/80/1074723980.db2.gz DTIWWSIIMQYFJW-FUHWJXTLSA-N 1 2 403.527 1.730 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000559866497 1074729506 /nfs/dbraw/zinc/72/95/06/1074729506.db2.gz XPIZSKDDCQDGGJ-UHFFFAOYSA-N 1 2 424.427 2.148 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000559866497 1074729516 /nfs/dbraw/zinc/72/95/16/1074729516.db2.gz XPIZSKDDCQDGGJ-UHFFFAOYSA-N 1 2 424.427 2.148 20 0 HDADLO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615974 1074749060 /nfs/dbraw/zinc/74/90/60/1074749060.db2.gz ZIYRQFTZRJDQQX-SFHVURJKSA-N 1 2 416.526 1.334 20 0 HDADLO COC(=O)Cn1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000499894217 1074753709 /nfs/dbraw/zinc/75/37/09/1074753709.db2.gz FGMSMPLGZUVBGG-MAUKXSAKSA-N 1 2 421.885 1.903 20 0 HDADLO COC(=O)Cn1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000499894217 1074753715 /nfs/dbraw/zinc/75/37/15/1074753715.db2.gz FGMSMPLGZUVBGG-MAUKXSAKSA-N 1 2 421.885 1.903 20 0 HDADLO O=C(c1ccc(Cl)cc1)N1CSC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218604 1074761009 /nfs/dbraw/zinc/76/10/09/1074761009.db2.gz POSWBYWFSZIRKM-IRXDYDNUSA-N 1 2 409.939 1.788 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219198 1074761595 /nfs/dbraw/zinc/76/15/95/1074761595.db2.gz GGWMSLZNJQVZIW-SFHVURJKSA-N 1 2 421.563 1.716 20 0 HDADLO O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219471 1074762309 /nfs/dbraw/zinc/76/23/09/1074762309.db2.gz BZILKCASKVUOEV-QZTJIDSGSA-N 1 2 407.536 1.020 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000675219433 1074762338 /nfs/dbraw/zinc/76/23/38/1074762338.db2.gz VHBQXLKZOJHZAY-HKUYNNGSSA-N 1 2 407.536 1.081 20 0 HDADLO O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219473 1074762795 /nfs/dbraw/zinc/76/27/95/1074762795.db2.gz BZILKCASKVUOEV-ZWKOTPCHSA-N 1 2 407.536 1.020 20 0 HDADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1[C@@H](C)C1CC1 ZINC000542346114 1074768878 /nfs/dbraw/zinc/76/88/78/1074768878.db2.gz PVVAAMNBKOZGPS-JQHSSLGASA-N 1 2 403.527 1.861 20 0 HDADLO CO[C@@]1(C)C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1(C)C ZINC000466669211 1074783007 /nfs/dbraw/zinc/78/30/07/1074783007.db2.gz FYSXSNHMXCYHTC-KKSFZXQISA-N 1 2 418.542 1.348 20 0 HDADLO CO[C@@]1(C)C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1(C)C ZINC000466669211 1074783018 /nfs/dbraw/zinc/78/30/18/1074783018.db2.gz FYSXSNHMXCYHTC-KKSFZXQISA-N 1 2 418.542 1.348 20 0 HDADLO CO[C@@]1(C)C[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1(C)C ZINC000466669209 1074783213 /nfs/dbraw/zinc/78/32/13/1074783213.db2.gz FYSXSNHMXCYHTC-IERDGZPVSA-N 1 2 418.542 1.348 20 0 HDADLO CO[C@@]1(C)C[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1(C)C ZINC000466669209 1074783226 /nfs/dbraw/zinc/78/32/26/1074783226.db2.gz FYSXSNHMXCYHTC-IERDGZPVSA-N 1 2 418.542 1.348 20 0 HDADLO CCOc1ccccc1C(=O)N[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000675281185 1074785069 /nfs/dbraw/zinc/78/50/69/1074785069.db2.gz PFEHZOCHDXQPGI-PXNSSMCTSA-N 1 2 403.523 1.773 20 0 HDADLO O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675291513 1074788113 /nfs/dbraw/zinc/78/81/13/1074788113.db2.gz AIDXVGJOGHCAEO-ROUUACIJSA-N 1 2 413.453 1.103 20 0 HDADLO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000675296967 1074790713 /nfs/dbraw/zinc/79/07/13/1074790713.db2.gz PGWIDJLZYDKTMG-SWLSCSKDSA-N 1 2 417.416 1.316 20 0 HDADLO COc1ccccc1C(=O)NCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000016103276 1074796201 /nfs/dbraw/zinc/79/62/01/1074796201.db2.gz IXYHZYKTXLYHRT-UHFFFAOYSA-N 1 2 411.506 1.996 20 0 HDADLO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2cnc3n2CCC3)C1 ZINC000509240955 1074802413 /nfs/dbraw/zinc/80/24/13/1074802413.db2.gz OQJZYMDGMNJLBT-OAHLLOKOSA-N 1 2 403.508 1.327 20 0 HDADLO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2cnc3n2CCC3)C1 ZINC000509240955 1074802418 /nfs/dbraw/zinc/80/24/18/1074802418.db2.gz OQJZYMDGMNJLBT-OAHLLOKOSA-N 1 2 403.508 1.327 20 0 HDADLO CCCCCNC(=O)C1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438340280 1074818580 /nfs/dbraw/zinc/81/85/80/1074818580.db2.gz WCUPQAHBOQGPCQ-UHFFFAOYSA-N 1 2 420.558 1.766 20 0 HDADLO Cc1cc(NC(=O)CN2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)no1 ZINC000469031892 1075117335 /nfs/dbraw/zinc/11/73/35/1075117335.db2.gz RCMUZMXZWFLBDD-UHFFFAOYSA-N 1 2 400.348 1.753 20 0 HDADLO O=C(Nc1ccccc1O[C@H]1CCOC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675397088 1075125606 /nfs/dbraw/zinc/12/56/06/1075125606.db2.gz KJRBRDODRJTUOA-IRXDYDNUSA-N 1 2 403.479 1.116 20 0 HDADLO CCCc1c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[nH]c(C)c1C(=O)OC ZINC000520928508 1075163206 /nfs/dbraw/zinc/16/32/06/1075163206.db2.gz AUWBEFNRVXFITE-UHFFFAOYSA-N 1 2 403.483 1.843 20 0 HDADLO Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000509249828 1075172949 /nfs/dbraw/zinc/17/29/49/1075172949.db2.gz RVYCLKPULPKGNZ-INIZCTEOSA-N 1 2 405.524 1.535 20 0 HDADLO Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000509249828 1075172953 /nfs/dbraw/zinc/17/29/53/1075172953.db2.gz RVYCLKPULPKGNZ-INIZCTEOSA-N 1 2 405.524 1.535 20 0 HDADLO NC(=O)C[N@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CCCC1 ZINC000675489301 1075174298 /nfs/dbraw/zinc/17/42/98/1075174298.db2.gz LQXSGAFSROALKD-UHFFFAOYSA-N 1 2 401.446 1.347 20 0 HDADLO NC(=O)C[N@@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CCCC1 ZINC000675489301 1075174299 /nfs/dbraw/zinc/17/42/99/1075174299.db2.gz LQXSGAFSROALKD-UHFFFAOYSA-N 1 2 401.446 1.347 20 0 HDADLO COC[C@@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000675488836 1075174667 /nfs/dbraw/zinc/17/46/67/1075174667.db2.gz FNEZYVRLNYRVNC-QGZVFWFLSA-N 1 2 402.882 1.888 20 0 HDADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000517478525 1075183862 /nfs/dbraw/zinc/18/38/62/1075183862.db2.gz BOQZIQCPPAEYCE-UHFFFAOYSA-N 1 2 409.494 1.963 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000488490579 1075186881 /nfs/dbraw/zinc/18/68/81/1075186881.db2.gz QWTJDRFEZAYQJI-INIZCTEOSA-N 1 2 418.473 1.825 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000522828747 1075187440 /nfs/dbraw/zinc/18/74/40/1075187440.db2.gz ZVKYHNHFUAXNQM-UHFFFAOYSA-N 1 2 402.474 1.709 20 0 HDADLO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3Cl)CC2)NC(=O)N[C@H]1C ZINC000766165494 1075196444 /nfs/dbraw/zinc/19/64/44/1075196444.db2.gz TZUMIAKSOYETHM-AWEZNQCLSA-N 1 2 406.914 1.976 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000448301423 1075196461 /nfs/dbraw/zinc/19/64/61/1075196461.db2.gz IDCOEWHUGWVGQX-UHFFFAOYSA-N 1 2 404.437 1.853 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000448301423 1075196466 /nfs/dbraw/zinc/19/64/66/1075196466.db2.gz IDCOEWHUGWVGQX-UHFFFAOYSA-N 1 2 404.437 1.853 20 0 HDADLO O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000675528119 1075200155 /nfs/dbraw/zinc/20/01/55/1075200155.db2.gz OAJSYOLFEAULFR-ZDUSSCGKSA-N 1 2 419.432 1.474 20 0 HDADLO CC1CC[NH+](CC(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CC1 ZINC000675563610 1075204889 /nfs/dbraw/zinc/20/48/89/1075204889.db2.gz ZFGNJWWEABRTHS-UHFFFAOYSA-N 1 2 401.555 1.567 20 0 HDADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CC[C@@H](CS(C)(=O)=O)C3)n2)CC1 ZINC000429360125 1075210985 /nfs/dbraw/zinc/21/09/85/1075210985.db2.gz FMKLGQWZUDXQDA-OAHLLOKOSA-N 1 2 414.597 1.680 20 0 HDADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675585795 1075215686 /nfs/dbraw/zinc/21/56/86/1075215686.db2.gz CSNULMMKFXQOKZ-LJQANCHMSA-N 1 2 408.462 1.562 20 0 HDADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000426958148 1075227720 /nfs/dbraw/zinc/22/77/20/1075227720.db2.gz WVKZNEAPHXSTTO-IEBWSBKVSA-N 1 2 424.505 2.400 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3cc4n(n3)CCCC4)cc2)CC1 ZINC000508779024 1075232870 /nfs/dbraw/zinc/23/28/70/1075232870.db2.gz OGHZWHRHZBEYNF-UHFFFAOYSA-N 1 2 410.522 1.934 20 0 HDADLO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556033204 1075236579 /nfs/dbraw/zinc/23/65/79/1075236579.db2.gz UYKCQINEBCPQGS-HUUCEWRRSA-N 1 2 408.865 1.806 20 0 HDADLO CC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2nc(C)n(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556033204 1075236583 /nfs/dbraw/zinc/23/65/83/1075236583.db2.gz UYKCQINEBCPQGS-HUUCEWRRSA-N 1 2 408.865 1.806 20 0 HDADLO COC1CC[NH+](CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000675621900 1075242052 /nfs/dbraw/zinc/24/20/52/1075242052.db2.gz FFSVIJBURMCFGW-UHFFFAOYSA-N 1 2 424.548 1.785 20 0 HDADLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000675643824 1075246368 /nfs/dbraw/zinc/24/63/68/1075246368.db2.gz NCDGTVKJYFQGLC-SIKLNZKXSA-N 1 2 419.591 1.573 20 0 HDADLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000675643824 1075246373 /nfs/dbraw/zinc/24/63/73/1075246373.db2.gz NCDGTVKJYFQGLC-SIKLNZKXSA-N 1 2 419.591 1.573 20 0 HDADLO Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675701879 1075257213 /nfs/dbraw/zinc/25/72/13/1075257213.db2.gz GKKNWZYNQXPHDK-RTBURBONSA-N 1 2 411.506 1.879 20 0 HDADLO Cc1nc([C@H]2CCCCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000675802402 1075273145 /nfs/dbraw/zinc/27/31/45/1075273145.db2.gz NICHJZLAAAKBRB-QGZVFWFLSA-N 1 2 412.494 1.956 20 0 HDADLO Cc1ccc(C)c([C@@H](C)N(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000446769525 1075273954 /nfs/dbraw/zinc/27/39/54/1075273954.db2.gz QHHSVJDQSBJELQ-GOSISDBHSA-N 1 2 413.522 1.990 20 0 HDADLO CCOc1cccc(CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000675839287 1075281042 /nfs/dbraw/zinc/28/10/42/1075281042.db2.gz GNTNXWCRTGKEFX-UHFFFAOYSA-N 1 2 411.506 1.663 20 0 HDADLO COCC[N@@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000479097297 1075296337 /nfs/dbraw/zinc/29/63/37/1075296337.db2.gz KMFBMVZNSZCDSL-ZDUSSCGKSA-N 1 2 402.322 1.831 20 0 HDADLO COCC[N@H+]1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000479097297 1075296346 /nfs/dbraw/zinc/29/63/46/1075296346.db2.gz KMFBMVZNSZCDSL-ZDUSSCGKSA-N 1 2 402.322 1.831 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCCN(C(=O)CCCn3cc[nH+]c3)CC2)cc1 ZINC000675941934 1075302490 /nfs/dbraw/zinc/30/24/90/1075302490.db2.gz XYWFPAQUFFFSOY-UHFFFAOYSA-N 1 2 406.508 1.595 20 0 HDADLO CC(C)(C)OC(=O)NC1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000731352651 1075316246 /nfs/dbraw/zinc/31/62/46/1075316246.db2.gz BURSQHQBVHSVIF-UHFFFAOYSA-N 1 2 407.515 1.991 20 0 HDADLO Cc1cc(C)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c(C)c1NS(C)(=O)=O ZINC000676033837 1075330469 /nfs/dbraw/zinc/33/04/69/1075330469.db2.gz LABSHESBVQDUFN-UHFFFAOYSA-N 1 2 414.553 1.891 20 0 HDADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccc(OC(C)C)nn2)c(C)c1 ZINC000567098045 1075331441 /nfs/dbraw/zinc/33/14/41/1075331441.db2.gz DSNXSOWBZQGVDD-GOSISDBHSA-N 1 2 422.489 2.573 20 0 HDADLO Cc1ccc([C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C2CC2)cc1 ZINC000533007634 1075335151 /nfs/dbraw/zinc/33/51/51/1075335151.db2.gz WVUGXHLGZCHHNG-FQEVSTJZSA-N 1 2 411.506 1.730 20 0 HDADLO Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CCC2 ZINC000511735041 1075337456 /nfs/dbraw/zinc/33/74/56/1075337456.db2.gz QJFQVGQPEPNEMK-IBGZPJMESA-N 1 2 411.506 1.656 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000731445859 1075342482 /nfs/dbraw/zinc/34/24/82/1075342482.db2.gz GIRFKWVSQNWEFQ-CYBMUJFWSA-N 1 2 409.487 1.382 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000731445859 1075342486 /nfs/dbraw/zinc/34/24/86/1075342486.db2.gz GIRFKWVSQNWEFQ-CYBMUJFWSA-N 1 2 409.487 1.382 20 0 HDADLO COC(=O)[C@@H]1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)[C@@H](C(=O)OC)C1 ZINC000509381828 1075352589 /nfs/dbraw/zinc/35/25/89/1075352589.db2.gz AHFGZZYDVBJVIL-GDBMZVCRSA-N 1 2 419.503 1.829 20 0 HDADLO CCn1c(N)c(C(=O)C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O ZINC000731484004 1075366281 /nfs/dbraw/zinc/36/62/81/1075366281.db2.gz LBGCQLDCTRDZPR-KRWDZBQOSA-N 1 2 420.897 1.833 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000429394972 1075370525 /nfs/dbraw/zinc/37/05/25/1075370525.db2.gz AGPRWSPPVJNURH-UHFFFAOYSA-N 1 2 421.519 1.357 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000429394972 1075370530 /nfs/dbraw/zinc/37/05/30/1075370530.db2.gz AGPRWSPPVJNURH-UHFFFAOYSA-N 1 2 421.519 1.357 20 0 HDADLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000731480597 1075371955 /nfs/dbraw/zinc/37/19/55/1075371955.db2.gz ABDALQJPMVLFHN-HZPDHXFCSA-N 1 2 417.572 1.259 20 0 HDADLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000731480597 1075371960 /nfs/dbraw/zinc/37/19/60/1075371960.db2.gz ABDALQJPMVLFHN-HZPDHXFCSA-N 1 2 417.572 1.259 20 0 HDADLO COc1cc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc(Cl)c1OCC(N)=O ZINC000470211925 1075372647 /nfs/dbraw/zinc/37/26/47/1075372647.db2.gz OBPSJVRRIDAMJS-UHFFFAOYSA-N 1 2 413.902 1.396 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000426923246 1075397124 /nfs/dbraw/zinc/39/71/24/1075397124.db2.gz AOOZAEWVZFPSEW-MRXNPFEDSA-N 1 2 408.462 1.628 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000426933039 1075397519 /nfs/dbraw/zinc/39/75/19/1075397519.db2.gz JQZYCLHBEORUBY-QFBILLFUSA-N 1 2 422.489 2.185 20 0 HDADLO CC(C)(CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)NS(C)(=O)=O ZINC000676152569 1075402664 /nfs/dbraw/zinc/40/26/64/1075402664.db2.gz GXNBIQXBUOIFFF-IRXDYDNUSA-N 1 2 405.524 1.739 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)n2)cc1 ZINC000578288053 1075412989 /nfs/dbraw/zinc/41/29/89/1075412989.db2.gz IRXTXMDGYBZXQX-LJQANCHMSA-N 1 2 424.505 2.375 20 0 HDADLO COc1ccc(Cn2ccc(NC(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)n2)cc1 ZINC000578288053 1075412995 /nfs/dbraw/zinc/41/29/95/1075412995.db2.gz IRXTXMDGYBZXQX-LJQANCHMSA-N 1 2 424.505 2.375 20 0 HDADLO O=Cc1ccc(OCCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000731622324 1075416958 /nfs/dbraw/zinc/41/69/58/1075416958.db2.gz OCOPYBSVVFEVOV-UHFFFAOYSA-N 1 2 410.474 1.518 20 0 HDADLO CCCNC(=O)Nc1ccc(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731648429 1075426231 /nfs/dbraw/zinc/42/62/31/1075426231.db2.gz DZNBAVQSGPRXEC-UHFFFAOYSA-N 1 2 424.567 1.386 20 0 HDADLO COc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Br)c1 ZINC000731648365 1075426994 /nfs/dbraw/zinc/42/69/94/1075426994.db2.gz MIQWEYPMPIAGPD-UHFFFAOYSA-N 1 2 419.341 1.697 20 0 HDADLO C[C@H]1Sc2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2NC1=O ZINC000731648225 1075427331 /nfs/dbraw/zinc/42/73/31/1075427331.db2.gz IHWLIWIWPBIRDQ-GFCCVEGCSA-N 1 2 411.549 1.358 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 ZINC000731649399 1075428654 /nfs/dbraw/zinc/42/86/54/1075428654.db2.gz OOGURKKZCSHHGN-INIZCTEOSA-N 1 2 407.536 1.203 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(F)c(Br)c2)CC1 ZINC000731649372 1075428674 /nfs/dbraw/zinc/42/86/74/1075428674.db2.gz MNIMWDYIIYCFJF-UHFFFAOYSA-N 1 2 421.332 1.756 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCc2nc(-c3ccsc3)no2)CC1 ZINC000731649113 1075429471 /nfs/dbraw/zinc/42/94/71/1075429471.db2.gz ZIBWRNIZGWBVIH-UHFFFAOYSA-N 1 2 412.537 1.356 20 0 HDADLO Cc1ccc(-c2nc(CC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cs2)o1 ZINC000731648813 1075429988 /nfs/dbraw/zinc/42/99/88/1075429988.db2.gz URMANDKNRIGSKW-UHFFFAOYSA-N 1 2 411.549 1.879 20 0 HDADLO COc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1Br ZINC000731648620 1075430427 /nfs/dbraw/zinc/43/04/27/1075430427.db2.gz PJIZFSAOWDRDFW-UHFFFAOYSA-N 1 2 419.341 1.697 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000731650342 1075431280 /nfs/dbraw/zinc/43/12/80/1075431280.db2.gz DPKMPKFRMCEQRG-UHFFFAOYSA-N 1 2 412.527 1.499 20 0 HDADLO CC(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731649710 1075433585 /nfs/dbraw/zinc/43/35/85/1075433585.db2.gz XBADXBZGSFCPGZ-UHFFFAOYSA-N 1 2 416.565 1.108 20 0 HDADLO COCCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[C@H](C)c1ccccc1 ZINC000731686511 1075445776 /nfs/dbraw/zinc/44/57/76/1075445776.db2.gz BPQKKWBUBVWUSZ-QGZVFWFLSA-N 1 2 411.568 1.915 20 0 HDADLO COc1ccccc1C[C@@H]1CCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731687096 1075449343 /nfs/dbraw/zinc/44/93/43/1075449343.db2.gz XANBOHDMCKGAPG-IBGZPJMESA-N 1 2 423.579 1.921 20 0 HDADLO COc1ccccc1OCCN(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686720 1075450179 /nfs/dbraw/zinc/45/01/79/1075450179.db2.gz MABZRPGHCQIAQM-UHFFFAOYSA-N 1 2 413.540 1.224 20 0 HDADLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429409453 1075453558 /nfs/dbraw/zinc/45/35/58/1075453558.db2.gz ORQHUMKSJSOKOA-SFHVURJKSA-N 1 2 411.568 1.648 20 0 HDADLO CC(C)(COCc1ccccc1)NC(=O)NCC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429409453 1075453566 /nfs/dbraw/zinc/45/35/66/1075453566.db2.gz ORQHUMKSJSOKOA-SFHVURJKSA-N 1 2 411.568 1.648 20 0 HDADLO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nnn1-c1cccc(Br)c1 ZINC000676260336 1075459284 /nfs/dbraw/zinc/45/92/84/1075459284.db2.gz IZJAIUGBBKKKQC-XHDPSFHLSA-N 1 2 408.300 1.787 20 0 HDADLO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nnn1-c1cccc(Br)c1 ZINC000676260336 1075459287 /nfs/dbraw/zinc/45/92/87/1075459287.db2.gz IZJAIUGBBKKKQC-XHDPSFHLSA-N 1 2 408.300 1.787 20 0 HDADLO C[C@@H](c1cccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)c1)[NH+]1CCOCC1 ZINC000676262175 1075459352 /nfs/dbraw/zinc/45/93/52/1075459352.db2.gz ABUIRBLTAHMQLP-KRWDZBQOSA-N 1 2 403.527 1.318 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(N3CCOC3=O)c2)CC1 ZINC000731679682 1075462769 /nfs/dbraw/zinc/46/27/69/1075462769.db2.gz KWIZUKTZYPSSLI-UHFFFAOYSA-N 1 2 410.496 1.274 20 0 HDADLO COCCOc1ccccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731681243 1075464105 /nfs/dbraw/zinc/46/41/05/1075464105.db2.gz ORONJQTYLOJEFH-UHFFFAOYSA-N 1 2 413.540 1.020 20 0 HDADLO CCc1nc(CN(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cs1 ZINC000676266701 1075464419 /nfs/dbraw/zinc/46/44/19/1075464419.db2.gz UVFODMYJOSNXLX-UHFFFAOYSA-N 1 2 403.508 1.843 20 0 HDADLO CC(=O)Nc1cccc([C@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731680790 1075464688 /nfs/dbraw/zinc/46/46/88/1075464688.db2.gz XHEZBNUBLROAKY-AWEZNQCLSA-N 1 2 410.540 1.514 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000731683860 1075468376 /nfs/dbraw/zinc/46/83/76/1075468376.db2.gz KGEHQCGKGMIXJT-UYAOXDASSA-N 1 2 423.579 1.963 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000676271283 1075473828 /nfs/dbraw/zinc/47/38/28/1075473828.db2.gz OMGKOVNNVXWAIK-INIZCTEOSA-N 1 2 400.435 1.358 20 0 HDADLO COc1cccc([C@H]2CN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CCO2)c1 ZINC000483169632 1075495431 /nfs/dbraw/zinc/49/54/31/1075495431.db2.gz PALCNOGZFDTJFP-LJQANCHMSA-N 1 2 415.494 1.829 20 0 HDADLO COc1ccccc1C(=O)N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000642326364 1075502766 /nfs/dbraw/zinc/50/27/66/1075502766.db2.gz OMKHNKGUSZLXMB-UHFFFAOYSA-N 1 2 407.474 2.005 20 0 HDADLO CCC(=O)Nc1ccc(C)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731752379 1075508487 /nfs/dbraw/zinc/50/84/87/1075508487.db2.gz BSAXNQJCLCWKBK-UHFFFAOYSA-N 1 2 410.540 1.974 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000731751690 1075509034 /nfs/dbraw/zinc/50/90/34/1075509034.db2.gz AFYLZTUIQZGLEC-UHFFFAOYSA-N 1 2 408.524 1.444 20 0 HDADLO Cc1nc(-c2cccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2)n[nH]1 ZINC000731754300 1075510491 /nfs/dbraw/zinc/51/04/91/1075510491.db2.gz BQPCQIMETHKJHD-UHFFFAOYSA-N 1 2 406.512 1.411 20 0 HDADLO CNC(=O)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1Cl ZINC000731754252 1075510931 /nfs/dbraw/zinc/51/09/31/1075510931.db2.gz SHQBSCIRDNEDOP-UHFFFAOYSA-N 1 2 416.931 1.330 20 0 HDADLO O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340442 1075514350 /nfs/dbraw/zinc/51/43/50/1075514350.db2.gz FQDPIDOTNBYYQK-MRXNPFEDSA-N 1 2 416.503 1.577 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1C ZINC000731761481 1075514877 /nfs/dbraw/zinc/51/48/77/1075514877.db2.gz NPIRNAKFSYLVLK-UHFFFAOYSA-N 1 2 412.556 1.357 20 0 HDADLO COc1c(C)cnc(CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1C ZINC000731761481 1075514885 /nfs/dbraw/zinc/51/48/85/1075514885.db2.gz NPIRNAKFSYLVLK-UHFFFAOYSA-N 1 2 412.556 1.357 20 0 HDADLO Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000676341510 1075515568 /nfs/dbraw/zinc/51/55/68/1075515568.db2.gz STVUJGFKSHEQDB-DOTOQJQBSA-N 1 2 401.536 1.902 20 0 HDADLO CN(CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)c1ccc(Br)o1 ZINC000676342924 1075516031 /nfs/dbraw/zinc/51/60/31/1075516031.db2.gz SOSRLNLKEAVSBX-GFCCVEGCSA-N 1 2 400.273 1.047 20 0 HDADLO O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731827855 1075525979 /nfs/dbraw/zinc/52/59/79/1075525979.db2.gz CJLDIQDIYSGMGR-RTWAWAEBSA-N 1 2 411.502 1.170 20 0 HDADLO C[C@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676401892 1075544173 /nfs/dbraw/zinc/54/41/73/1075544173.db2.gz GOIBELCBELINNU-WFASDCNBSA-N 1 2 403.870 1.831 20 0 HDADLO C[C@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676401892 1075544182 /nfs/dbraw/zinc/54/41/82/1075544182.db2.gz GOIBELCBELINNU-WFASDCNBSA-N 1 2 403.870 1.831 20 0 HDADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000731873288 1075548601 /nfs/dbraw/zinc/54/86/01/1075548601.db2.gz NEVXGBVQRUEQPW-INIZCTEOSA-N 1 2 417.579 1.608 20 0 HDADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000731873288 1075548609 /nfs/dbraw/zinc/54/86/09/1075548609.db2.gz NEVXGBVQRUEQPW-INIZCTEOSA-N 1 2 417.579 1.608 20 0 HDADLO CCc1ccc([C@@H](O)CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000804154139 1075559305 /nfs/dbraw/zinc/55/93/05/1075559305.db2.gz DULFGYQGSDNCRD-FQEVSTJZSA-N 1 2 410.518 1.923 20 0 HDADLO CCc1ccc([C@H](O)CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000804154140 1075559611 /nfs/dbraw/zinc/55/96/11/1075559611.db2.gz DULFGYQGSDNCRD-HXUWFJFHSA-N 1 2 410.518 1.923 20 0 HDADLO COc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1S(=O)(=O)NC1CC1 ZINC000429439853 1075563666 /nfs/dbraw/zinc/56/36/66/1075563666.db2.gz GEDKTAGOOGLHEW-AWEZNQCLSA-N 1 2 405.480 1.469 20 0 HDADLO Cc1nc([C@@H](C)[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)s1 ZINC000676491231 1075564650 /nfs/dbraw/zinc/56/46/50/1075564650.db2.gz YFVYUNSWMCLCKR-CQSZACIVSA-N 1 2 409.581 1.958 20 0 HDADLO Cc1cccc2ncc(CNc3ccc(N4CCN(S(C)(=O)=O)CC4)[nH+]c3)n21 ZINC000676495272 1075565303 /nfs/dbraw/zinc/56/53/03/1075565303.db2.gz LMTTXUUPVOONIU-UHFFFAOYSA-N 1 2 400.508 1.731 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(N2C(=O)N[C@@H](Cc3cccc(Cl)c3)C2=O)CC1 ZINC000804162775 1075566979 /nfs/dbraw/zinc/56/69/79/1075566979.db2.gz SGWURIUVQIAQOS-INIZCTEOSA-N 1 2 413.927 1.312 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)c2nc3ccccc3s2)[C@H](C)C1 ZINC000804162340 1075567330 /nfs/dbraw/zinc/56/73/30/1075567330.db2.gz HMERXTYLKZPLHE-ZIAGYGMSSA-N 1 2 418.519 1.569 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)c2nc3ccccc3s2)[C@H](C)C1 ZINC000804162340 1075567333 /nfs/dbraw/zinc/56/73/33/1075567333.db2.gz HMERXTYLKZPLHE-ZIAGYGMSSA-N 1 2 418.519 1.569 20 0 HDADLO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000676496747 1075569098 /nfs/dbraw/zinc/56/90/98/1075569098.db2.gz XJANLBVAZPPCLT-JTDSTZFVSA-N 1 2 419.522 1.593 20 0 HDADLO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000676496747 1075569103 /nfs/dbraw/zinc/56/91/03/1075569103.db2.gz XJANLBVAZPPCLT-JTDSTZFVSA-N 1 2 419.522 1.593 20 0 HDADLO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CCO2 ZINC000676504837 1075571544 /nfs/dbraw/zinc/57/15/44/1075571544.db2.gz BVMNGSNHNNKRCL-MJGOQNOKSA-N 1 2 417.506 1.348 20 0 HDADLO COc1ccc(OC)c(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000731963319 1075577323 /nfs/dbraw/zinc/57/73/23/1075577323.db2.gz LAJZDBFSLUMOJA-IBGZPJMESA-N 1 2 406.479 1.460 20 0 HDADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490414433 1075580085 /nfs/dbraw/zinc/58/00/85/1075580085.db2.gz XSJCQCLSSZYTFY-NSHDSACASA-N 1 2 407.356 1.626 20 0 HDADLO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000676547426 1075592698 /nfs/dbraw/zinc/59/26/98/1075592698.db2.gz KHJMEHWXVBMCFV-MRXNPFEDSA-N 1 2 417.535 1.563 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CC1 ZINC000732121147 1075629625 /nfs/dbraw/zinc/62/96/25/1075629625.db2.gz DGLVSVVRWJDRCG-UHFFFAOYSA-N 1 2 417.478 1.200 20 0 HDADLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000071855847 1075636646 /nfs/dbraw/zinc/63/66/46/1075636646.db2.gz JCAWQBCYJJJAMK-UHFFFAOYSA-N 1 2 420.498 1.900 20 0 HDADLO CS(=O)(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732165980 1075643731 /nfs/dbraw/zinc/64/37/31/1075643731.db2.gz RVVYNIWFZFIUJG-FQEVSTJZSA-N 1 2 417.531 1.731 20 0 HDADLO O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732166258 1075644854 /nfs/dbraw/zinc/64/48/54/1075644854.db2.gz WKBLGBLYNZAPJF-QGZVFWFLSA-N 1 2 423.435 1.927 20 0 HDADLO Cn1cc(/C=C\C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(=O)n(C)c1=O ZINC000732138896 1075646737 /nfs/dbraw/zinc/64/67/37/1075646737.db2.gz RKLRWEGLTMRFDB-WHLNPGIBSA-N 1 2 418.444 1.156 20 0 HDADLO Cn1cc(/C=C\C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(=O)n(C)c1=O ZINC000732138896 1075646744 /nfs/dbraw/zinc/64/67/44/1075646744.db2.gz RKLRWEGLTMRFDB-WHLNPGIBSA-N 1 2 418.444 1.156 20 0 HDADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000732149178 1075650331 /nfs/dbraw/zinc/65/03/31/1075650331.db2.gz MZNHGRWKEUIXEP-MXKPZRPRSA-N 1 2 415.534 1.544 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000676696959 1075650454 /nfs/dbraw/zinc/65/04/54/1075650454.db2.gz APQNPIGBTMALKI-GFCCVEGCSA-N 1 2 412.416 1.701 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c1C ZINC000676717674 1075654275 /nfs/dbraw/zinc/65/42/75/1075654275.db2.gz ONFFOQFVKFYCLI-KRWDZBQOSA-N 1 2 405.524 1.632 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)c1C ZINC000676717674 1075654279 /nfs/dbraw/zinc/65/42/79/1075654279.db2.gz ONFFOQFVKFYCLI-KRWDZBQOSA-N 1 2 405.524 1.632 20 0 HDADLO CCn1c(C[N@@H+]2CCCOC[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000676710437 1075656995 /nfs/dbraw/zinc/65/69/95/1075656995.db2.gz DOSYHMSERPJSEF-INIZCTEOSA-N 1 2 422.551 1.688 20 0 HDADLO CCn1c(C[N@H+]2CCCOC[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000676710437 1075656998 /nfs/dbraw/zinc/65/69/98/1075656998.db2.gz DOSYHMSERPJSEF-INIZCTEOSA-N 1 2 422.551 1.688 20 0 HDADLO C[C@@H](O)C1CC[NH+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 ZINC000732210600 1075667345 /nfs/dbraw/zinc/66/73/45/1075667345.db2.gz MIXYZYHTAYIIGN-VFNWGFHPSA-N 1 2 402.495 1.054 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1C ZINC000732211582 1075667999 /nfs/dbraw/zinc/66/79/99/1075667999.db2.gz WSKDHBFOCNRJTJ-INIZCTEOSA-N 1 2 422.551 1.366 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1C ZINC000732211582 1075668005 /nfs/dbraw/zinc/66/80/05/1075668005.db2.gz WSKDHBFOCNRJTJ-INIZCTEOSA-N 1 2 422.551 1.366 20 0 HDADLO CCCCNc1cc(N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)nc(N)[nH+]1 ZINC000576759975 1075692251 /nfs/dbraw/zinc/69/22/51/1075692251.db2.gz NIDWXRGKRUWBMN-INIZCTEOSA-N 1 2 414.510 1.923 20 0 HDADLO CCCCNc1cc(N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)[nH+]c(N)n1 ZINC000576759975 1075692254 /nfs/dbraw/zinc/69/22/54/1075692254.db2.gz NIDWXRGKRUWBMN-INIZCTEOSA-N 1 2 414.510 1.923 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000732302553 1075694057 /nfs/dbraw/zinc/69/40/57/1075694057.db2.gz JLYHCZAHZXDFHU-BRWVUGGUSA-N 1 2 413.440 1.503 20 0 HDADLO CCCc1noc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084995804 1075695046 /nfs/dbraw/zinc/69/50/46/1075695046.db2.gz CJCUBZUHPZCYKY-ZPFYTHJMSA-N 1 2 404.511 1.496 20 0 HDADLO CCCc1noc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084995804 1075695048 /nfs/dbraw/zinc/69/50/48/1075695048.db2.gz CJCUBZUHPZCYKY-ZPFYTHJMSA-N 1 2 404.511 1.496 20 0 HDADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550704503 1075699760 /nfs/dbraw/zinc/69/97/60/1075699760.db2.gz YRJKWLORXDMTTP-GFCCVEGCSA-N 1 2 406.284 1.736 20 0 HDADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550704503 1075699762 /nfs/dbraw/zinc/69/97/62/1075699762.db2.gz YRJKWLORXDMTTP-GFCCVEGCSA-N 1 2 406.284 1.736 20 0 HDADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000429467712 1075708547 /nfs/dbraw/zinc/70/85/47/1075708547.db2.gz HFLIEOQPBHVSNW-UHFFFAOYSA-N 1 2 413.478 1.715 20 0 HDADLO O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000732341050 1075710373 /nfs/dbraw/zinc/71/03/73/1075710373.db2.gz QSENZNAIBKQRKG-UHFFFAOYSA-N 1 2 423.425 1.198 20 0 HDADLO Nc1nccc([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000558740733 1075719764 /nfs/dbraw/zinc/71/97/64/1075719764.db2.gz CZERPNCCOPYBDN-GOWZHPGHSA-N 1 2 412.538 2.033 20 0 HDADLO Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000558740733 1075719768 /nfs/dbraw/zinc/71/97/68/1075719768.db2.gz CZERPNCCOPYBDN-GOWZHPGHSA-N 1 2 412.538 2.033 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1 ZINC000505839994 1075721113 /nfs/dbraw/zinc/72/11/13/1075721113.db2.gz VWUVHXGLAFRHCS-OAHLLOKOSA-N 1 2 405.510 1.845 20 0 HDADLO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1 ZINC000505839994 1075721122 /nfs/dbraw/zinc/72/11/22/1075721122.db2.gz VWUVHXGLAFRHCS-OAHLLOKOSA-N 1 2 405.510 1.845 20 0 HDADLO C[C@@H]1Sc2ccc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)cc2NC1=O ZINC000596043288 1075731336 /nfs/dbraw/zinc/73/13/36/1075731336.db2.gz OBBNEWLSUWNAAS-ZDUSSCGKSA-N 1 2 401.492 1.900 20 0 HDADLO CC(=O)N1CCN(C(=O)COC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000732397187 1075732529 /nfs/dbraw/zinc/73/25/29/1075732529.db2.gz OBFYWDSNKJSZEB-GOSISDBHSA-N 1 2 415.534 1.564 20 0 HDADLO Nc1nnc(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)n1C1CC1 ZINC000642122335 1075747979 /nfs/dbraw/zinc/74/79/79/1075747979.db2.gz LNQBARNIAITWGZ-UHFFFAOYSA-N 1 2 402.524 1.436 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2cc(-c3ccccc3)on2)CC1 ZINC000443911855 1075748974 /nfs/dbraw/zinc/74/89/74/1075748974.db2.gz ZHCHDXAEXHZPTL-UHFFFAOYSA-N 1 2 404.434 2.372 20 0 HDADLO CC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCOC[C@H]3C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543688205 1075753997 /nfs/dbraw/zinc/75/39/97/1075753997.db2.gz SXORGJLJUOZJQS-DKSSEZFCSA-N 1 2 412.456 1.965 20 0 HDADLO CC[N@H+]1CC[C@H](NC(=O)N2CCN3CCOC[C@H]3C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543688205 1075753998 /nfs/dbraw/zinc/75/39/98/1075753998.db2.gz SXORGJLJUOZJQS-DKSSEZFCSA-N 1 2 412.456 1.965 20 0 HDADLO COc1cccc([C@@H](O)CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732476349 1075757000 /nfs/dbraw/zinc/75/70/00/1075757000.db2.gz GEROVBHYBLIZEX-IRLDBZIGSA-N 1 2 413.518 1.971 20 0 HDADLO CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438763047 1075765916 /nfs/dbraw/zinc/76/59/16/1075765916.db2.gz FJTQWFGMHKGOMK-UHFFFAOYSA-N 1 2 415.494 1.970 20 0 HDADLO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000016443737 1075787749 /nfs/dbraw/zinc/78/77/49/1075787749.db2.gz GABPMEBPUAPZIX-NSHDSACASA-N 1 2 400.401 1.101 20 0 HDADLO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000016443737 1075787750 /nfs/dbraw/zinc/78/77/50/1075787750.db2.gz GABPMEBPUAPZIX-NSHDSACASA-N 1 2 400.401 1.101 20 0 HDADLO CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000439153909 1075790101 /nfs/dbraw/zinc/79/01/01/1075790101.db2.gz GNBTZACXJAUQRZ-IRXDYDNUSA-N 1 2 407.478 2.213 20 0 HDADLO C[NH+]1CCN(CCNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)CC1 ZINC000426600958 1075791832 /nfs/dbraw/zinc/79/18/32/1075791832.db2.gz OGTPLLLTHPTSRG-UHFFFAOYSA-N 1 2 411.478 1.820 20 0 HDADLO Cc1nc(N(C)C)nc(NCC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH+]1 ZINC001063859139 1075803209 /nfs/dbraw/zinc/80/32/09/1075803209.db2.gz JFSLAWMLZDPINN-RFSXOUPVSA-N 1 2 400.527 1.853 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000732656825 1075818597 /nfs/dbraw/zinc/81/85/97/1075818597.db2.gz CHTOBMHSDRBCCX-GOSISDBHSA-N 1 2 405.405 1.625 20 0 HDADLO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000030514702 1075821970 /nfs/dbraw/zinc/82/19/70/1075821970.db2.gz ZBPXZVHBPRWLIH-KRWDZBQOSA-N 1 2 415.943 1.287 20 0 HDADLO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000611076812 1075828840 /nfs/dbraw/zinc/82/88/40/1075828840.db2.gz HWXZBIMRPLBHBZ-HSALFYBXSA-N 1 2 407.603 1.691 20 0 HDADLO O=C(/C=C\C1CCOCC1)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000732695455 1075833536 /nfs/dbraw/zinc/83/35/36/1075833536.db2.gz WVPQMNBOJMFFSL-WAYWQWQTSA-N 1 2 402.491 1.661 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CCO1 ZINC000732702604 1075836426 /nfs/dbraw/zinc/83/64/26/1075836426.db2.gz YHUOBGYNUKAPQL-QFBILLFUSA-N 1 2 410.946 1.421 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CCO1 ZINC000732702604 1075836430 /nfs/dbraw/zinc/83/64/30/1075836430.db2.gz YHUOBGYNUKAPQL-QFBILLFUSA-N 1 2 410.946 1.421 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000732703010 1075836979 /nfs/dbraw/zinc/83/69/79/1075836979.db2.gz JEMKMWXKBBRJIC-CQSZACIVSA-N 1 2 423.461 1.791 20 0 HDADLO O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000543606733 1075856866 /nfs/dbraw/zinc/85/68/66/1075856866.db2.gz JOFGZHVYHGQLCF-RLLQIKCJSA-N 1 2 419.497 1.343 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1C ZINC000732807157 1075863343 /nfs/dbraw/zinc/86/33/43/1075863343.db2.gz HHTHZDHEKGXWFA-MRXNPFEDSA-N 1 2 422.551 1.366 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1C ZINC000732807157 1075863349 /nfs/dbraw/zinc/86/33/49/1075863349.db2.gz HHTHZDHEKGXWFA-MRXNPFEDSA-N 1 2 422.551 1.366 20 0 HDADLO O=C(CCNC(=O)N1CCCCC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000489126515 1075868517 /nfs/dbraw/zinc/86/85/17/1075868517.db2.gz CENBSVQIHFCVPV-SFHVURJKSA-N 1 2 403.527 1.457 20 0 HDADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809500 1075870253 /nfs/dbraw/zinc/87/02/53/1075870253.db2.gz FHYNAAUTMCTCSL-MCIONIFRSA-N 1 2 415.412 1.426 20 0 HDADLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809500 1075870257 /nfs/dbraw/zinc/87/02/57/1075870257.db2.gz FHYNAAUTMCTCSL-MCIONIFRSA-N 1 2 415.412 1.426 20 0 HDADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732813843 1075875853 /nfs/dbraw/zinc/87/58/53/1075875853.db2.gz PDMIPEVGWKPWOS-TZMCWYRMSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732813843 1075875855 /nfs/dbraw/zinc/87/58/55/1075875855.db2.gz PDMIPEVGWKPWOS-TZMCWYRMSA-N 1 2 407.433 1.272 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000732824492 1075880036 /nfs/dbraw/zinc/88/00/36/1075880036.db2.gz HWTPHWMACVISNX-FXAWDEMLSA-N 1 2 410.584 1.381 20 0 HDADLO Cc1ncc(/C=C/C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000732915334 1075911835 /nfs/dbraw/zinc/91/18/35/1075911835.db2.gz FCHRVPLVFUVKEV-APHBUQMISA-N 1 2 414.535 1.877 20 0 HDADLO Cc1ncc(/C=C/C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000732915334 1075911837 /nfs/dbraw/zinc/91/18/37/1075911837.db2.gz FCHRVPLVFUVKEV-APHBUQMISA-N 1 2 414.535 1.877 20 0 HDADLO CC1=C(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C(=O)OC1(C)C ZINC000732915269 1075911917 /nfs/dbraw/zinc/91/19/17/1075911917.db2.gz CUKFDPJVDFKINW-OAHLLOKOSA-N 1 2 415.494 1.050 20 0 HDADLO CC1=C(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C(=O)OC1(C)C ZINC000732915269 1075911919 /nfs/dbraw/zinc/91/19/19/1075911919.db2.gz CUKFDPJVDFKINW-OAHLLOKOSA-N 1 2 415.494 1.050 20 0 HDADLO Cc1cc(C)n(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000732916749 1075912599 /nfs/dbraw/zinc/91/25/99/1075912599.db2.gz UGWQZXBIBCTBOF-GOSISDBHSA-N 1 2 413.526 1.302 20 0 HDADLO Cc1cc(C)n(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000732916749 1075912602 /nfs/dbraw/zinc/91/26/02/1075912602.db2.gz UGWQZXBIBCTBOF-GOSISDBHSA-N 1 2 413.526 1.302 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cccc(Cl)n1 ZINC000732916421 1075912887 /nfs/dbraw/zinc/91/28/87/1075912887.db2.gz QTRCFEHASCGMRM-AWEZNQCLSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(Cl)n1 ZINC000732916421 1075912890 /nfs/dbraw/zinc/91/28/90/1075912890.db2.gz QTRCFEHASCGMRM-AWEZNQCLSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1cccc(Cl)n1 ZINC000732916422 1075912956 /nfs/dbraw/zinc/91/29/56/1075912956.db2.gz QTRCFEHASCGMRM-CQSZACIVSA-N 1 2 402.886 1.760 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(Cl)n1 ZINC000732916422 1075912961 /nfs/dbraw/zinc/91/29/61/1075912961.db2.gz QTRCFEHASCGMRM-CQSZACIVSA-N 1 2 402.886 1.760 20 0 HDADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732967492 1075927974 /nfs/dbraw/zinc/92/79/74/1075927974.db2.gz CGCFZMUBMFVIMJ-VQIMIIECSA-N 1 2 407.461 1.809 20 0 HDADLO O=S(=O)(C(F)F)N1CCC(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000732983584 1075937403 /nfs/dbraw/zinc/93/74/03/1075937403.db2.gz GQDOUWIUVMSJSN-CQSZACIVSA-N 1 2 419.498 1.362 20 0 HDADLO O=S(=O)(C(F)F)N1CCC(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000732983584 1075937406 /nfs/dbraw/zinc/93/74/06/1075937406.db2.gz GQDOUWIUVMSJSN-CQSZACIVSA-N 1 2 419.498 1.362 20 0 HDADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1N1C(=O)CCC1=O ZINC000733046151 1075953164 /nfs/dbraw/zinc/95/31/64/1075953164.db2.gz IKVCXTGNLQYKNT-UHFFFAOYSA-N 1 2 421.457 1.331 20 0 HDADLO Cc1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)ccc1N1C(=O)CCC1=O ZINC000733046189 1075953191 /nfs/dbraw/zinc/95/31/91/1075953191.db2.gz JUYMPOPFQTZWBL-UHFFFAOYSA-N 1 2 409.446 1.600 20 0 HDADLO COC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000611540816 1075955508 /nfs/dbraw/zinc/95/55/08/1075955508.db2.gz ZSPNSXUJPFCOPI-JKSUJKDBSA-N 1 2 402.900 1.346 20 0 HDADLO Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079139273 1075964801 /nfs/dbraw/zinc/96/48/01/1075964801.db2.gz KEAPZLYNMFMRHL-VYKPCIFISA-N 1 2 423.513 1.980 20 0 HDADLO Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079139273 1075964804 /nfs/dbraw/zinc/96/48/04/1075964804.db2.gz KEAPZLYNMFMRHL-VYKPCIFISA-N 1 2 423.513 1.980 20 0 HDADLO COC(=O)Nc1ccccc1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000733142413 1075974684 /nfs/dbraw/zinc/97/46/84/1075974684.db2.gz DXNLYLHLHRPMPL-UHFFFAOYSA-N 1 2 411.462 1.729 20 0 HDADLO CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001080176736 1075984771 /nfs/dbraw/zinc/98/47/71/1075984771.db2.gz IHELKZSROJSPLA-XUFBONQXSA-N 1 2 400.523 1.953 20 0 HDADLO C[C@H]1C[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000508975556 1075986335 /nfs/dbraw/zinc/98/63/35/1075986335.db2.gz GTZFJECBBODUEI-PXNSSMCTSA-N 1 2 411.506 1.764 20 0 HDADLO COc1cc(C=O)ccc1OCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000733159730 1075992871 /nfs/dbraw/zinc/99/28/71/1075992871.db2.gz ISEAYEIJKLHNCK-UHFFFAOYSA-N 1 2 403.479 1.043 20 0 HDADLO COc1cc(C=O)ccc1OCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000733159730 1075992875 /nfs/dbraw/zinc/99/28/75/1075992875.db2.gz ISEAYEIJKLHNCK-UHFFFAOYSA-N 1 2 403.479 1.043 20 0 HDADLO O=C(NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001080940182 1075997908 /nfs/dbraw/zinc/99/79/08/1075997908.db2.gz BMEDMDMOMXUIER-QXDIGNSFSA-N 1 2 400.523 1.809 20 0 HDADLO O=C(NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001080940182 1075997912 /nfs/dbraw/zinc/99/79/12/1075997912.db2.gz BMEDMDMOMXUIER-QXDIGNSFSA-N 1 2 400.523 1.809 20 0 HDADLO CON(C)S(=O)(=O)c1cc(C(=O)NCCCCn2cc[nH+]c2)ccc1Cl ZINC000733167078 1075998484 /nfs/dbraw/zinc/99/84/84/1075998484.db2.gz SPKYYSWJQHGXGT-UHFFFAOYSA-N 1 2 400.888 1.929 20 0 HDADLO COC[C@@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)C1 ZINC000733183425 1076011691 /nfs/dbraw/zinc/01/16/91/1076011691.db2.gz KUTHXQNKIUIKDS-IAGOWNOFSA-N 1 2 411.572 1.746 20 0 HDADLO COC[C@@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)C1 ZINC000733183425 1076011695 /nfs/dbraw/zinc/01/16/95/1076011695.db2.gz KUTHXQNKIUIKDS-IAGOWNOFSA-N 1 2 411.572 1.746 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 ZINC000727034474 1076029444 /nfs/dbraw/zinc/02/94/44/1076029444.db2.gz NJAJIYHKUGTGKH-APWZRJJASA-N 1 2 410.946 1.733 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 ZINC000727034474 1076029449 /nfs/dbraw/zinc/02/94/49/1076029449.db2.gz NJAJIYHKUGTGKH-APWZRJJASA-N 1 2 410.946 1.733 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O ZINC000733298357 1076032597 /nfs/dbraw/zinc/03/25/97/1076032597.db2.gz UZZOQJQAOYZXLZ-VLIAUNLRSA-N 1 2 417.441 1.970 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)C1=O ZINC000733298357 1076032603 /nfs/dbraw/zinc/03/26/03/1076032603.db2.gz UZZOQJQAOYZXLZ-VLIAUNLRSA-N 1 2 417.441 1.970 20 0 HDADLO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000733318885 1076039273 /nfs/dbraw/zinc/03/92/73/1076039273.db2.gz FMDWKFVXHNWBSX-FPLPWBNLSA-N 1 2 424.519 1.749 20 0 HDADLO O=C1C[C@H](c2ccccn2)CN1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000733291398 1076040147 /nfs/dbraw/zinc/04/01/47/1076040147.db2.gz KWAWXUPJNJBLFE-IBGZPJMESA-N 1 2 408.502 1.944 20 0 HDADLO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000727146348 1076053109 /nfs/dbraw/zinc/05/31/09/1076053109.db2.gz LUYMHUSQGDSELO-RDTXWAMCSA-N 1 2 417.597 1.621 20 0 HDADLO Cc1sc2nc(CN3CC[NH+](CC(=O)N4CCC(C)CC4)CC3)[nH]c(=O)c2c1C ZINC000022247087 1076123588 /nfs/dbraw/zinc/12/35/88/1076123588.db2.gz LQLRLTGJSNZLLG-UHFFFAOYSA-N 1 2 417.579 1.978 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000727603154 1076177188 /nfs/dbraw/zinc/17/71/88/1076177188.db2.gz FNGLPTLKWWNXOU-GOEBONIOSA-N 1 2 419.444 1.807 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000727603154 1076177194 /nfs/dbraw/zinc/17/71/94/1076177194.db2.gz FNGLPTLKWWNXOU-GOEBONIOSA-N 1 2 419.444 1.807 20 0 HDADLO COC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1F ZINC000727610406 1076180419 /nfs/dbraw/zinc/18/04/19/1076180419.db2.gz HRQMJPDIIWSWMJ-INIZCTEOSA-N 1 2 410.446 1.416 20 0 HDADLO COC(=O)Nc1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000727613014 1076182224 /nfs/dbraw/zinc/18/22/24/1076182224.db2.gz VOLCKDQVTFTTMX-UHFFFAOYSA-N 1 2 401.398 1.686 20 0 HDADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)ccc2[nH]1 ZINC000526922416 1076192228 /nfs/dbraw/zinc/19/22/28/1076192228.db2.gz QGYQSZQVSVNLQL-LJQANCHMSA-N 1 2 405.458 1.769 20 0 HDADLO CNC(=O)c1cc2cc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)ccc2[nH]1 ZINC000526922416 1076192231 /nfs/dbraw/zinc/19/22/31/1076192231.db2.gz QGYQSZQVSVNLQL-LJQANCHMSA-N 1 2 405.458 1.769 20 0 HDADLO S=C(NCCc1cccnc1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000727699400 1076209842 /nfs/dbraw/zinc/20/98/42/1076209842.db2.gz ZDOZXZFIIHQIQJ-UHFFFAOYSA-N 1 2 400.548 1.999 20 0 HDADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000727736196 1076214349 /nfs/dbraw/zinc/21/43/49/1076214349.db2.gz JGSDGZBNXATACP-AXVPCFCXSA-N 1 2 421.501 1.919 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000733848132 1076218391 /nfs/dbraw/zinc/21/83/91/1076218391.db2.gz UEMCJTSYRJSGJM-XJKSGUPXSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000733848132 1076218396 /nfs/dbraw/zinc/21/83/96/1076218396.db2.gz UEMCJTSYRJSGJM-XJKSGUPXSA-N 1 2 414.428 1.831 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(C)c1 ZINC000531668067 1076237827 /nfs/dbraw/zinc/23/78/27/1076237827.db2.gz CXZMCWDGNAMNNN-OALUTQOASA-N 1 2 416.522 1.443 20 0 HDADLO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533826919 1076244574 /nfs/dbraw/zinc/24/45/74/1076244574.db2.gz KNGICFIKBVLJTL-LJQANCHMSA-N 1 2 415.515 1.781 20 0 HDADLO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533826919 1076244582 /nfs/dbraw/zinc/24/45/82/1076244582.db2.gz KNGICFIKBVLJTL-LJQANCHMSA-N 1 2 415.515 1.781 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)CC1 ZINC001299319395 1076248603 /nfs/dbraw/zinc/24/86/03/1076248603.db2.gz SISUILSHLOZELL-IERDGZPVSA-N 1 2 411.543 1.582 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000534583502 1076249235 /nfs/dbraw/zinc/24/92/35/1076249235.db2.gz ADQIFWVUJKRHIM-LJQANCHMSA-N 1 2 407.474 1.848 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000534583502 1076249240 /nfs/dbraw/zinc/24/92/40/1076249240.db2.gz ADQIFWVUJKRHIM-LJQANCHMSA-N 1 2 407.474 1.848 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000535264056 1076250528 /nfs/dbraw/zinc/25/05/28/1076250528.db2.gz CMRXPWGEXFELNW-QGZVFWFLSA-N 1 2 413.496 1.662 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000535264056 1076250531 /nfs/dbraw/zinc/25/05/31/1076250531.db2.gz CMRXPWGEXFELNW-QGZVFWFLSA-N 1 2 413.496 1.662 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535275757 1076251308 /nfs/dbraw/zinc/25/13/08/1076251308.db2.gz GKQAHBLSBCMZCQ-SFHVURJKSA-N 1 2 416.503 1.690 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535275757 1076251314 /nfs/dbraw/zinc/25/13/14/1076251314.db2.gz GKQAHBLSBCMZCQ-SFHVURJKSA-N 1 2 416.503 1.690 20 0 HDADLO CC(C)(C)/C=C\C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065700994 1076257148 /nfs/dbraw/zinc/25/71/48/1076257148.db2.gz WJAOLRIPFRUIAR-BXAAVMDLSA-N 1 2 401.551 1.757 20 0 HDADLO CS(=O)(=O)CCNC(=S)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903568 1076261296 /nfs/dbraw/zinc/26/12/96/1076261296.db2.gz GRBLPZJTCDMQNP-CQSZACIVSA-N 1 2 409.499 1.788 20 0 HDADLO CS(=O)(=O)CCNC(=S)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903568 1076261301 /nfs/dbraw/zinc/26/13/01/1076261301.db2.gz GRBLPZJTCDMQNP-CQSZACIVSA-N 1 2 409.499 1.788 20 0 HDADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1F ZINC000727835939 1076265831 /nfs/dbraw/zinc/26/58/31/1076265831.db2.gz CRKIFWZSGOCQHJ-AWEZNQCLSA-N 1 2 404.529 1.868 20 0 HDADLO COCCCNC(=O)C1CC[NH+](CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)CC1 ZINC000727819258 1076267117 /nfs/dbraw/zinc/26/71/17/1076267117.db2.gz YXTHEPGIOSQXJI-UHFFFAOYSA-N 1 2 422.570 1.945 20 0 HDADLO O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CC(n2cc[nH+]c2)C1 ZINC000733983766 1076282876 /nfs/dbraw/zinc/28/28/76/1076282876.db2.gz QJZZOYIDMOLPFH-MDWZMJQESA-N 1 2 400.504 1.979 20 0 HDADLO CN(C)c1[nH+]cc(CNC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)n1C ZINC000733970078 1076287664 /nfs/dbraw/zinc/28/76/64/1076287664.db2.gz INEOUCBQRMVMAK-UHFFFAOYSA-N 1 2 413.450 1.135 20 0 HDADLO CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000727937345 1076290356 /nfs/dbraw/zinc/29/03/56/1076290356.db2.gz LQANSFLONXZCCF-GOSISDBHSA-N 1 2 423.583 1.060 20 0 HDADLO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000728053067 1076321185 /nfs/dbraw/zinc/32/11/85/1076321185.db2.gz GUOVZGBCWNIBTI-WMZOPIPTSA-N 1 2 414.568 1.420 20 0 HDADLO O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000728053067 1076321189 /nfs/dbraw/zinc/32/11/89/1076321189.db2.gz GUOVZGBCWNIBTI-WMZOPIPTSA-N 1 2 414.568 1.420 20 0 HDADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1 ZINC000027366232 1076359608 /nfs/dbraw/zinc/35/96/08/1076359608.db2.gz GTYMIOZTFMJTMM-HNNXBMFYSA-N 1 2 414.462 1.491 20 0 HDADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1 ZINC000027366232 1076359614 /nfs/dbraw/zinc/35/96/14/1076359614.db2.gz GTYMIOZTFMJTMM-HNNXBMFYSA-N 1 2 414.462 1.491 20 0 HDADLO Cc1onc2c1c(-c1ccccc1)nn(CN1CC[NH+](Cc3cnn(C)c3)CC1)c2=O ZINC000729989429 1076408825 /nfs/dbraw/zinc/40/88/25/1076408825.db2.gz VSQFEAWTFBMSDI-UHFFFAOYSA-N 1 2 419.489 1.869 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)CC2)cn1 ZINC000729988159 1076408840 /nfs/dbraw/zinc/40/88/40/1076408840.db2.gz BKGQXKYXPKDPKZ-QHCPKHFHSA-N 1 2 422.533 1.451 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@](C)(c4ccc(Cl)s4)C3=O)CC2)cn1 ZINC000729989160 1076409447 /nfs/dbraw/zinc/40/94/47/1076409447.db2.gz RYNNAVDGQSIVOA-GOSISDBHSA-N 1 2 422.942 1.677 20 0 HDADLO COc1ccccc1[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1nccn1C ZINC000730115891 1076462290 /nfs/dbraw/zinc/46/22/90/1076462290.db2.gz LVJMJGAXYQRGRZ-QFBILLFUSA-N 1 2 400.527 1.453 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730263817 1076504879 /nfs/dbraw/zinc/50/48/79/1076504879.db2.gz ZSHFJWGNNVXOPR-HNNXBMFYSA-N 1 2 424.567 1.812 20 0 HDADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730263817 1076504884 /nfs/dbraw/zinc/50/48/84/1076504884.db2.gz ZSHFJWGNNVXOPR-HNNXBMFYSA-N 1 2 424.567 1.812 20 0 HDADLO C[C@@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C)C(N)=O ZINC000730520772 1076587574 /nfs/dbraw/zinc/58/75/74/1076587574.db2.gz NKWKMIUNGBXULJ-PBHICJAKSA-N 1 2 415.494 1.357 20 0 HDADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000730571905 1076606478 /nfs/dbraw/zinc/60/64/78/1076606478.db2.gz XSYOEDAKZYPJJJ-LLVKDONJSA-N 1 2 408.496 1.445 20 0 HDADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000730571905 1076606481 /nfs/dbraw/zinc/60/64/81/1076606481.db2.gz XSYOEDAKZYPJJJ-LLVKDONJSA-N 1 2 408.496 1.445 20 0 HDADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)CCN(C)c2ccccc2)C1=O ZINC000730808656 1076665355 /nfs/dbraw/zinc/66/53/55/1076665355.db2.gz QXXDZHXSKGYTJU-QHCPKHFHSA-N 1 2 423.517 1.943 20 0 HDADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)CCN(C)c2ccccc2)C1=O ZINC000730808656 1076665359 /nfs/dbraw/zinc/66/53/59/1076665359.db2.gz QXXDZHXSKGYTJU-QHCPKHFHSA-N 1 2 423.517 1.943 20 0 HDADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(Cl)cc2)CC3)CC1 ZINC000328608108 569419276 /nfs/dbraw/zinc/41/92/76/569419276.db2.gz XZHDAPQNLGEXTR-OAHLLOKOSA-N 1 2 415.925 1.917 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3CCCC4)CC2)C1=O ZINC001164635550 719269724 /nfs/dbraw/zinc/26/97/24/719269724.db2.gz RZVWZBDKTQIAIM-UHFFFAOYSA-N 1 2 407.946 1.768 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3CCCC4)CC2)C1=O ZINC001164635550 719269728 /nfs/dbraw/zinc/26/97/28/719269728.db2.gz RZVWZBDKTQIAIM-UHFFFAOYSA-N 1 2 407.946 1.768 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2[nH]cc(F)c21 ZINC001164705268 719839050 /nfs/dbraw/zinc/83/90/50/719839050.db2.gz UPKDDEHTJCRBRS-VOJFVSQTSA-N 1 2 411.865 1.983 20 0 HDADLO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164696903 719839271 /nfs/dbraw/zinc/83/92/71/719839271.db2.gz BFASIEKAHKHYBK-BFUOFWGJSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1C(N)=O ZINC001164698647 719840973 /nfs/dbraw/zinc/84/09/73/719840973.db2.gz GMBBTDAYGPRMEJ-BFUOFWGJSA-N 1 2 410.902 1.375 20 0 HDADLO COC(=O)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncc1Cl ZINC001164701613 719841988 /nfs/dbraw/zinc/84/19/88/719841988.db2.gz MNIRYAVPMXASIJ-DJJJIMSYSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1OC ZINC001164704611 719843384 /nfs/dbraw/zinc/84/33/84/719843384.db2.gz SBYFVQMBJANOQY-XOBRGWDASA-N 1 2 407.467 1.110 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C ZINC001164704746 719852267 /nfs/dbraw/zinc/85/22/67/719852267.db2.gz SOWMLVQGIBEYFR-MGPUTAFESA-N 1 2 406.483 1.194 20 0 HDADLO CCOC(=O)Cc1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164705154 719855085 /nfs/dbraw/zinc/85/50/85/719855085.db2.gz TXZXUUASLAXOJL-LAUBAEHRSA-N 1 2 405.495 1.420 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2ccc(OC)cc2n1 ZINC001164699465 719855145 /nfs/dbraw/zinc/85/51/45/719855145.db2.gz FLWOPLDGJQLIMW-VFNWGFHPSA-N 1 2 400.479 1.871 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ncsc21 ZINC001164706515 719855487 /nfs/dbraw/zinc/85/54/87/719855487.db2.gz YAGXRURGLRZHOV-APPDUMDISA-N 1 2 411.915 1.972 20 0 HDADLO COC(=O)c1nc(Cl)cnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164700607 719856000 /nfs/dbraw/zinc/85/60/00/719856000.db2.gz IELYKJOLLSFDSP-XIKOKIGWSA-N 1 2 412.874 1.149 20 0 HDADLO COC(=O)c1ccc(Cl)c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164700061 719857218 /nfs/dbraw/zinc/85/72/18/719857218.db2.gz GAQHTCXLZIAIQC-ORAYPTAESA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(C(=O)OC(C)(C)C)n1 ZINC001164704117 719858516 /nfs/dbraw/zinc/85/85/16/719858516.db2.gz RMZZFWUNDKUKFU-YCRPNKLZSA-N 1 2 420.510 1.665 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(N2CCCCC2)n1 ZINC001164707411 719866929 /nfs/dbraw/zinc/86/69/29/719866929.db2.gz SEIXBCQRCJQYGC-DYESRHJHSA-N 1 2 403.527 1.700 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2ncn(C(C)C)c2n1 ZINC001164702828 719868828 /nfs/dbraw/zinc/86/88/28/719868828.db2.gz IZKWCANBMHETSV-FOIQADDNSA-N 1 2 402.499 1.640 20 0 HDADLO CCOC(=O)c1cnc(CC)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701711 719875822 /nfs/dbraw/zinc/87/58/22/719875822.db2.gz GXJYOJWNARENRA-QVKFZJNVSA-N 1 2 420.510 1.448 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(ccn2C)c(OC)n1 ZINC001164707243 719877787 /nfs/dbraw/zinc/87/77/87/719877787.db2.gz RTMRTJYQDQUIKT-VLIAUNLRSA-N 1 2 403.483 1.210 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164709559 719908781 /nfs/dbraw/zinc/90/87/81/719908781.db2.gz YJOLGHKDXYMLAC-LJQANCHMSA-N 1 2 422.892 1.546 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164709557 719909096 /nfs/dbraw/zinc/90/90/96/719909096.db2.gz YJOLGHKDXYMLAC-IBGZPJMESA-N 1 2 422.892 1.546 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(F)nc(F)nc1Cl)CC2 ZINC001164708953 719922014 /nfs/dbraw/zinc/92/20/14/719922014.db2.gz VMUXGPRZLMEOGS-UHFFFAOYSA-N 1 2 411.844 1.092 20 0 HDADLO COc1cccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c21 ZINC001164708580 719924101 /nfs/dbraw/zinc/92/41/01/719924101.db2.gz LSSGJMVQORVYIJ-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO Cc1cc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2cc1C ZINC001164708596 719935220 /nfs/dbraw/zinc/93/52/20/719935220.db2.gz MHWORMJQBLRGLK-UHFFFAOYSA-N 1 2 419.533 1.930 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164705420 720047676 /nfs/dbraw/zinc/04/76/76/720047676.db2.gz YMZYMKYTVHGCDG-UHFFFAOYSA-N 1 2 414.941 1.908 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccccc4)n3)C2)C1 ZINC001164716295 720228662 /nfs/dbraw/zinc/22/86/62/720228662.db2.gz BNIVJXYWJCNXRH-JOCHJYFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccccc4)n3)C2)C1 ZINC001164716295 720228685 /nfs/dbraw/zinc/22/86/85/720228685.db2.gz BNIVJXYWJCNXRH-JOCHJYFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)n3)C2)C1 ZINC001164719831 720235765 /nfs/dbraw/zinc/23/57/65/720235765.db2.gz PKUJWSFKDDBCAH-QGZVFWFLSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)n3)C2)C1 ZINC001164719831 720235776 /nfs/dbraw/zinc/23/57/76/720235776.db2.gz PKUJWSFKDDBCAH-QGZVFWFLSA-N 1 2 417.888 1.648 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164720690 720236343 /nfs/dbraw/zinc/23/63/43/720236343.db2.gz ZQRZMGCFIFKKEX-FQEVSTJZSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164720690 720236365 /nfs/dbraw/zinc/23/63/65/720236365.db2.gz ZQRZMGCFIFKKEX-FQEVSTJZSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4ncn(C(C)C)c4n3)C2)C1 ZINC001164723288 720287894 /nfs/dbraw/zinc/28/78/94/720287894.db2.gz VZXYPYMSRKTLIN-FQEVSTJZSA-N 1 2 401.515 1.072 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4ncn(C(C)C)c4n3)C2)C1 ZINC001164723288 720287903 /nfs/dbraw/zinc/28/79/03/720287903.db2.gz VZXYPYMSRKTLIN-FQEVSTJZSA-N 1 2 401.515 1.072 20 0 HDADLO COc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826813 720360547 /nfs/dbraw/zinc/36/05/47/720360547.db2.gz ZLXFOZAZUHYPQA-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO COc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826813 720360555 /nfs/dbraw/zinc/36/05/55/720360555.db2.gz ZLXFOZAZUHYPQA-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO COc1cncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824785 720365115 /nfs/dbraw/zinc/36/51/15/720365115.db2.gz LBYVFSZTKIEREF-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO COc1cncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824785 720365122 /nfs/dbraw/zinc/36/51/22/720365122.db2.gz LBYVFSZTKIEREF-UHFFFAOYSA-N 1 2 402.524 1.563 20 0 HDADLO CCOc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164819228 720378899 /nfs/dbraw/zinc/37/88/99/720378899.db2.gz AFINKQWXWCFLFT-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO CCOc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164819228 720378905 /nfs/dbraw/zinc/37/89/05/720378905.db2.gz AFINKQWXWCFLFT-UHFFFAOYSA-N 1 2 416.551 1.953 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ncc[nH]3)ccn1)C2 ZINC001164828866 720463732 /nfs/dbraw/zinc/46/37/32/720463732.db2.gz BLHFTHMDFKAVKU-SFHVURJKSA-N 1 2 423.521 1.658 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ncc[nH]3)ccn1)C2 ZINC001164828864 720463950 /nfs/dbraw/zinc/46/39/50/720463950.db2.gz BLHFTHMDFKAVKU-GOSISDBHSA-N 1 2 423.521 1.658 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(C)(C)C)nn1)C2 ZINC001164829257 720472616 /nfs/dbraw/zinc/47/26/16/720472616.db2.gz DYTHRWXXRUACSW-KRWDZBQOSA-N 1 2 414.554 1.960 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc3ccccc3n1)C2 ZINC001164832674 720473997 /nfs/dbraw/zinc/47/39/97/720473997.db2.gz VKQWSBIPBRMVDP-MRXNPFEDSA-N 1 2 409.494 1.211 20 0 HDADLO Cc1cnc2c(ccnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164835492 720476447 /nfs/dbraw/zinc/47/64/47/720476447.db2.gz YQNPCLJBTYIPOR-QGZVFWFLSA-N 1 2 423.521 1.519 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C3CCC3)ncn1)C2 ZINC001164832580 720477684 /nfs/dbraw/zinc/47/76/84/720477684.db2.gz JRYMYJWPZMGAMR-SFHVURJKSA-N 1 2 412.538 1.930 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164855273 720894897 /nfs/dbraw/zinc/89/48/97/720894897.db2.gz AWPGQQKXNYUMHA-UHFFFAOYSA-N 1 2 407.812 1.887 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4S(=O)(=O)CC5)C[C@@H]3C2)cn1 ZINC001164767991 721242203 /nfs/dbraw/zinc/24/22/03/721242203.db2.gz XKRBSRZFUJNJQL-KBPBESRZSA-N 1 2 422.942 1.152 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4S(=O)(=O)CC5)C[C@@H]3C2)cn1 ZINC001164767991 721242210 /nfs/dbraw/zinc/24/22/10/721242210.db2.gz XKRBSRZFUJNJQL-KBPBESRZSA-N 1 2 422.942 1.152 20 0 HDADLO COCCOC(=O)c1ccnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165011699 721719614 /nfs/dbraw/zinc/71/96/14/721719614.db2.gz SFAOEVQMEQRLLI-UHFFFAOYSA-N 1 2 402.499 1.727 20 0 HDADLO COCCOC(=O)c1ccnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165011699 721719619 /nfs/dbraw/zinc/71/96/19/721719619.db2.gz SFAOEVQMEQRLLI-UHFFFAOYSA-N 1 2 402.499 1.727 20 0 HDADLO CCOC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164912897 721776798 /nfs/dbraw/zinc/77/67/98/721776798.db2.gz RNAAGHBUNMQHPQ-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164912897 721776801 /nfs/dbraw/zinc/77/68/01/721776801.db2.gz RNAAGHBUNMQHPQ-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1nccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914105 721782576 /nfs/dbraw/zinc/78/25/76/721782576.db2.gz BUJBNINAGATTJV-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO CCOC(=O)c1nccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914105 721782579 /nfs/dbraw/zinc/78/25/79/721782579.db2.gz BUJBNINAGATTJV-OAQYLSRUSA-N 1 2 413.478 1.156 20 0 HDADLO C=C(OCC)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164917034 721782777 /nfs/dbraw/zinc/78/27/77/721782777.db2.gz WCGXQOGUAPXADC-JOCHJYFZSA-N 1 2 411.506 1.987 20 0 HDADLO C=C(OCC)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164917034 721782781 /nfs/dbraw/zinc/78/27/81/721782781.db2.gz WCGXQOGUAPXADC-JOCHJYFZSA-N 1 2 411.506 1.987 20 0 HDADLO Cn1c(=O)ccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164916068 721784282 /nfs/dbraw/zinc/78/42/82/721784282.db2.gz OTGZJULLYMCJFP-HSZRJFAPSA-N 1 2 421.501 1.436 20 0 HDADLO Cn1c(=O)ccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164916068 721784285 /nfs/dbraw/zinc/78/42/85/721784285.db2.gz OTGZJULLYMCJFP-HSZRJFAPSA-N 1 2 421.501 1.436 20 0 HDADLO COCOc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914108 721784448 /nfs/dbraw/zinc/78/44/48/721784448.db2.gz BVIMOCNHNBJDPG-NRFANRHFSA-N 1 2 400.479 1.567 20 0 HDADLO COCOc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914108 721784452 /nfs/dbraw/zinc/78/44/52/721784452.db2.gz BVIMOCNHNBJDPG-NRFANRHFSA-N 1 2 400.479 1.567 20 0 HDADLO Cc1noc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)n1 ZINC001164913767 721795417 /nfs/dbraw/zinc/79/54/17/721795417.db2.gz GZIWJZHNAZPHEI-QFIPXVFZSA-N 1 2 422.489 1.943 20 0 HDADLO Cc1noc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)n1 ZINC001164913767 721795420 /nfs/dbraw/zinc/79/54/20/721795420.db2.gz GZIWJZHNAZPHEI-QFIPXVFZSA-N 1 2 422.489 1.943 20 0 HDADLO NC(=O)c1ccnc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913171 721800060 /nfs/dbraw/zinc/80/00/60/721800060.db2.gz AGTRMIVSABNSHD-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1ccnc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913171 721800061 /nfs/dbraw/zinc/80/00/61/721800061.db2.gz AGTRMIVSABNSHD-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164916853 721814267 /nfs/dbraw/zinc/81/42/67/721814267.db2.gz ISZUGFWVMXFHSN-UHFFFAOYSA-N 1 2 417.539 1.716 20 0 HDADLO NC(=O)c1ccnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947502 721981038 /nfs/dbraw/zinc/98/10/38/721981038.db2.gz HLYIPJMMOJVBJG-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO NC(=O)c1ccnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947502 721981041 /nfs/dbraw/zinc/98/10/41/721981041.db2.gz HLYIPJMMOJVBJG-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC000509072316 1073461703 /nfs/dbraw/zinc/46/17/03/1073461703.db2.gz SVVHGEHNCRDPFZ-YJBOKZPZSA-N 1 2 409.552 1.891 20 0 HDADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC000509072316 1073461706 /nfs/dbraw/zinc/46/17/06/1073461706.db2.gz SVVHGEHNCRDPFZ-YJBOKZPZSA-N 1 2 409.552 1.891 20 0 HDADLO COc1cc(C[NH+]2CCN(Cc3nnnn3CC(F)(F)F)CC2)cc(OC)c1 ZINC000429049165 1073469163 /nfs/dbraw/zinc/46/91/63/1073469163.db2.gz OSGVTBSSYNWIOZ-UHFFFAOYSA-N 1 2 400.405 1.570 20 0 HDADLO O=C(NC1CCN(c2ccccc2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671399434 1073505637 /nfs/dbraw/zinc/50/56/37/1073505637.db2.gz DDXIXNXQDCSVOD-FQEVSTJZSA-N 1 2 400.523 1.095 20 0 HDADLO NS(=O)(=O)Cc1cccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000673656695 1073594985 /nfs/dbraw/zinc/59/49/85/1073594985.db2.gz OJFDFPSHKGLFGI-UHFFFAOYSA-N 1 2 403.504 1.237 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CCn3cccc3)cc2)CC1 ZINC000673657982 1073600648 /nfs/dbraw/zinc/60/06/48/1073600648.db2.gz IKZYJHCOUHKZFT-UHFFFAOYSA-N 1 2 412.534 1.780 20 0 HDADLO NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000673668223 1073620932 /nfs/dbraw/zinc/62/09/32/1073620932.db2.gz INAQORQVQCHUEE-SFHVURJKSA-N 1 2 408.502 1.626 20 0 HDADLO NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000673673778 1073630084 /nfs/dbraw/zinc/63/00/84/1073630084.db2.gz ZNYDVBPRIXCGJN-UHFFFAOYSA-N 1 2 407.467 1.235 20 0 HDADLO CNC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001299284830 1073639042 /nfs/dbraw/zinc/63/90/42/1073639042.db2.gz JFIPLHMOTIDRCY-QGZVFWFLSA-N 1 2 419.574 1.193 20 0 HDADLO CNC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001299284830 1073639046 /nfs/dbraw/zinc/63/90/46/1073639046.db2.gz JFIPLHMOTIDRCY-QGZVFWFLSA-N 1 2 419.574 1.193 20 0 HDADLO CCc1noc2ncc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc12 ZINC000302971190 1073647575 /nfs/dbraw/zinc/64/75/75/1073647575.db2.gz BGKWXRZXGSPZQS-UHFFFAOYSA-N 1 2 408.462 1.649 20 0 HDADLO COCCOCC(=O)NC1CCC(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673724938 1073657064 /nfs/dbraw/zinc/65/70/64/1073657064.db2.gz KVDNLKUYGRWXNF-UHFFFAOYSA-N 1 2 416.522 1.639 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CCNS(=O)(=O)c3ccccc3F)[nH+]c12 ZINC000673746672 1073680687 /nfs/dbraw/zinc/68/06/87/1073680687.db2.gz BAUMTEGBGUFIGH-UHFFFAOYSA-N 1 2 404.467 1.809 20 0 HDADLO COc1cccc([C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)c2nccn2C)c1 ZINC000766026572 1073683729 /nfs/dbraw/zinc/68/37/29/1073683729.db2.gz HQPWMGPBQSQEQA-SFHVURJKSA-N 1 2 408.524 1.160 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)[nH+]c12 ZINC000673768095 1073712684 /nfs/dbraw/zinc/71/26/84/1073712684.db2.gz ASCLERUNDDPHCK-CQSZACIVSA-N 1 2 401.492 1.893 20 0 HDADLO O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781607 1073715772 /nfs/dbraw/zinc/71/57/72/1073715772.db2.gz BPANGYIMEAFSIE-INIZCTEOSA-N 1 2 415.412 1.889 20 0 HDADLO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000673781715 1073717203 /nfs/dbraw/zinc/71/72/03/1073717203.db2.gz FQAYZZVGVSOWNC-QGZVFWFLSA-N 1 2 402.495 1.524 20 0 HDADLO CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673781845 1073720451 /nfs/dbraw/zinc/72/04/51/1073720451.db2.gz JEFGXJDONGHWAC-HNNXBMFYSA-N 1 2 408.886 1.560 20 0 HDADLO CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OCC ZINC000673783349 1073721669 /nfs/dbraw/zinc/72/16/69/1073721669.db2.gz SXQGKUYZMOPEBI-KRWDZBQOSA-N 1 2 405.495 1.746 20 0 HDADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000673782982 1073722766 /nfs/dbraw/zinc/72/27/66/1073722766.db2.gz DMUJAUQKGDGRBJ-CQSZACIVSA-N 1 2 415.412 1.976 20 0 HDADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783711 1073723094 /nfs/dbraw/zinc/72/30/94/1073723094.db2.gz GWPCOPHUPOUAHL-IBGZPJMESA-N 1 2 411.506 1.751 20 0 HDADLO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784393 1073724245 /nfs/dbraw/zinc/72/42/45/1073724245.db2.gz JSDPZVQOMSKRKW-GOSISDBHSA-N 1 2 414.506 1.149 20 0 HDADLO O=C(Nc1cccc(Cl)c1-n1cncn1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785502 1073727518 /nfs/dbraw/zinc/72/75/18/1073727518.db2.gz RVKHFDHLAIHAIZ-AWEZNQCLSA-N 1 2 418.885 1.182 20 0 HDADLO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673785489 1073727655 /nfs/dbraw/zinc/72/76/55/1073727655.db2.gz RMOCLTHBGSWYTG-SFHVURJKSA-N 1 2 416.522 1.851 20 0 HDADLO CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673785777 1073730566 /nfs/dbraw/zinc/73/05/66/1073730566.db2.gz ZGLYSCBSCZDTHG-LJQANCHMSA-N 1 2 416.522 1.933 20 0 HDADLO CCO[C@@H](CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000673786787 1073732882 /nfs/dbraw/zinc/73/28/82/1073732882.db2.gz RNWGVSLRCNAWJD-IBGZPJMESA-N 1 2 418.538 1.580 20 0 HDADLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000766029065 1073739464 /nfs/dbraw/zinc/73/94/64/1073739464.db2.gz GYMNSUYMZUMZAT-QGZVFWFLSA-N 1 2 401.463 1.989 20 0 HDADLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000766029065 1073739467 /nfs/dbraw/zinc/73/94/67/1073739467.db2.gz GYMNSUYMZUMZAT-QGZVFWFLSA-N 1 2 401.463 1.989 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)[nH+]c12 ZINC000673789357 1073743578 /nfs/dbraw/zinc/74/35/78/1073743578.db2.gz UACLLIUVSRGSSQ-UHFFFAOYSA-N 1 2 407.409 1.660 20 0 HDADLO COc1ccc(C(=O)N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c(OC)c1OC ZINC000673828191 1073786809 /nfs/dbraw/zinc/78/68/09/1073786809.db2.gz PGPVGNNBCOKIHB-UHFFFAOYSA-N 1 2 416.478 1.674 20 0 HDADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cn2)C[C@H](C)O1 ZINC000673873054 1073840086 /nfs/dbraw/zinc/84/00/86/1073840086.db2.gz CXKLPCXXPULEDK-JZXOWHBKSA-N 1 2 415.498 1.584 20 0 HDADLO C[C@@H](c1cccc(NC(=O)C(=O)NCc2csc(N(C)C)n2)c1)[NH+]1CCOCC1 ZINC000673887628 1073847046 /nfs/dbraw/zinc/84/70/46/1073847046.db2.gz ICZKZGBREJWBJW-AWEZNQCLSA-N 1 2 417.535 1.857 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)c1 ZINC000502926327 1073867141 /nfs/dbraw/zinc/86/71/41/1073867141.db2.gz SKIPGLJQPFXMHP-UHFFFAOYSA-N 1 2 409.490 1.995 20 0 HDADLO C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000543500552 1073868565 /nfs/dbraw/zinc/86/85/65/1073868565.db2.gz PQBHIELDUSRQSG-HOTGVXAUSA-N 1 2 422.489 1.832 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000673916289 1073887808 /nfs/dbraw/zinc/88/78/08/1073887808.db2.gz WZWYWKPZJBTOSM-QGZVFWFLSA-N 1 2 400.401 1.605 20 0 HDADLO CC(C)(C)OC(=O)N1CCC[C@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000766044039 1073943502 /nfs/dbraw/zinc/94/35/02/1073943502.db2.gz YOEUPXFBOFAFKO-MRXNPFEDSA-N 1 2 405.561 1.275 20 0 HDADLO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000543517562 1073970466 /nfs/dbraw/zinc/97/04/66/1073970466.db2.gz VDMINLLMHCTMLB-KDOFPFPSSA-N 1 2 420.473 1.762 20 0 HDADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000030965548 1073987680 /nfs/dbraw/zinc/98/76/80/1073987680.db2.gz CEEDCACVUDQQMI-KRWDZBQOSA-N 1 2 415.563 1.666 20 0 HDADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000030965548 1073987684 /nfs/dbraw/zinc/98/76/84/1073987684.db2.gz CEEDCACVUDQQMI-KRWDZBQOSA-N 1 2 415.563 1.666 20 0 HDADLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000543529036 1074009287 /nfs/dbraw/zinc/00/92/87/1074009287.db2.gz USIWRTDUYOEQHN-QGZVFWFLSA-N 1 2 407.474 1.083 20 0 HDADLO COc1ccc(Sc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc2)cc1 ZINC000543527757 1074016062 /nfs/dbraw/zinc/01/60/62/1074016062.db2.gz PZNITAXEKYKBBF-UHFFFAOYSA-N 1 2 415.515 1.921 20 0 HDADLO O=C(CCNC(=O)c1cccc2cc(=O)[nH]cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC001626092840 1074049082 /nfs/dbraw/zinc/04/90/82/1074049082.db2.gz FBGYZTPWXTUADQ-UHFFFAOYSA-N 1 2 405.458 1.804 20 0 HDADLO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cn(-c2ccccc2)nn1 ZINC000543542891 1074051229 /nfs/dbraw/zinc/05/12/29/1074051229.db2.gz IVFDJUHMRRZCKQ-CYBMUJFWSA-N 1 2 400.464 1.204 20 0 HDADLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N3CCN(C(C)=O)CC3)n2)c1 ZINC000543544482 1074056575 /nfs/dbraw/zinc/05/65/75/1074056575.db2.gz PZYUXNYXNKAOQP-KGLIPLIRSA-N 1 2 401.467 1.475 20 0 HDADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CNS(=O)(=O)c3ccccc3N)n2)C1 ZINC000670453322 1074060631 /nfs/dbraw/zinc/06/06/31/1074060631.db2.gz SEXBSDWFCOZULI-CYBMUJFWSA-N 1 2 423.564 1.874 20 0 HDADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CNS(=O)(=O)c3ccccc3N)n2)C1 ZINC000670453322 1074060634 /nfs/dbraw/zinc/06/06/34/1074060634.db2.gz SEXBSDWFCOZULI-CYBMUJFWSA-N 1 2 423.564 1.874 20 0 HDADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000543548223 1074063681 /nfs/dbraw/zinc/06/36/81/1074063681.db2.gz YJUCDNKFSMKRBJ-ZDUSSCGKSA-N 1 2 421.440 1.980 20 0 HDADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC001033281881 1074067552 /nfs/dbraw/zinc/06/75/52/1074067552.db2.gz NOPGRPUVPAIYDC-CNRFMZSYSA-N 1 2 400.504 1.212 20 0 HDADLO CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC001033281881 1074067556 /nfs/dbraw/zinc/06/75/56/1074067556.db2.gz NOPGRPUVPAIYDC-CNRFMZSYSA-N 1 2 400.504 1.212 20 0 HDADLO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000543552243 1074077185 /nfs/dbraw/zinc/07/71/85/1074077185.db2.gz PQMNOJVVSJGAOI-UHFFFAOYSA-N 1 2 417.491 1.195 20 0 HDADLO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000543552243 1074077193 /nfs/dbraw/zinc/07/71/93/1074077193.db2.gz PQMNOJVVSJGAOI-UHFFFAOYSA-N 1 2 417.491 1.195 20 0 HDADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000543553068 1074079163 /nfs/dbraw/zinc/07/91/63/1074079163.db2.gz JOZDPDVVZRXEAK-SFHVURJKSA-N 1 2 401.507 1.360 20 0 HDADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000543553068 1074079167 /nfs/dbraw/zinc/07/91/67/1074079167.db2.gz JOZDPDVVZRXEAK-SFHVURJKSA-N 1 2 401.507 1.360 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C ZINC000674023588 1074081640 /nfs/dbraw/zinc/08/16/40/1074081640.db2.gz KSCZASVXGWIVBV-QGZVFWFLSA-N 1 2 402.582 1.823 20 0 HDADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000674023294 1074082162 /nfs/dbraw/zinc/08/21/62/1074082162.db2.gz IFZXSWJPXDHGST-INIZCTEOSA-N 1 2 416.565 1.141 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000674193300 1074207878 /nfs/dbraw/zinc/20/78/78/1074207878.db2.gz XCGJIHSJKWZYTF-UHFFFAOYSA-N 1 2 416.503 1.519 20 0 HDADLO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202007 1074216992 /nfs/dbraw/zinc/21/69/92/1074216992.db2.gz JQWFCGYMPOTANJ-SFHVURJKSA-N 1 2 411.462 1.158 20 0 HDADLO CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)C1=O ZINC000674202521 1074218073 /nfs/dbraw/zinc/21/80/73/1074218073.db2.gz BMKQWSJVFBFZDH-MRXNPFEDSA-N 1 2 410.434 1.084 20 0 HDADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674203818 1074218985 /nfs/dbraw/zinc/21/89/85/1074218985.db2.gz SFKJKYQPKMGGGQ-INIZCTEOSA-N 1 2 420.491 1.105 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000674298609 1074263263 /nfs/dbraw/zinc/26/32/63/1074263263.db2.gz TUJKBQIURADMRN-QXAKKESOSA-N 1 2 400.523 1.840 20 0 HDADLO CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cc1 ZINC000674333955 1074283529 /nfs/dbraw/zinc/28/35/29/1074283529.db2.gz VHXQOCCWYQGDDJ-UHFFFAOYSA-N 1 2 419.551 1.938 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1=O ZINC000674421401 1074323918 /nfs/dbraw/zinc/32/39/18/1074323918.db2.gz WRJVPORYSSFWBE-DJJJIMSYSA-N 1 2 420.539 1.971 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000674424110 1074325889 /nfs/dbraw/zinc/32/58/89/1074325889.db2.gz GRXVSUYCLXTZCI-QRWLVFNGSA-N 1 2 400.483 1.202 20 0 HDADLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000429229894 1074385180 /nfs/dbraw/zinc/38/51/80/1074385180.db2.gz WSHPLJBERSZQCZ-OAHLLOKOSA-N 1 2 406.342 1.945 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674502288 1074396534 /nfs/dbraw/zinc/39/65/34/1074396534.db2.gz SBYKSPJBIANVPN-RHSMWYFYSA-N 1 2 413.478 1.109 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674502288 1074396544 /nfs/dbraw/zinc/39/65/44/1074396544.db2.gz SBYKSPJBIANVPN-RHSMWYFYSA-N 1 2 413.478 1.109 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)CCN2CCCS2(=O)=O)cc1F ZINC000674495898 1074406554 /nfs/dbraw/zinc/40/65/54/1074406554.db2.gz LSWOFLMRJSVRTN-AWEZNQCLSA-N 1 2 401.504 1.149 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)cc1F ZINC000674495898 1074406558 /nfs/dbraw/zinc/40/65/58/1074406558.db2.gz LSWOFLMRJSVRTN-AWEZNQCLSA-N 1 2 401.504 1.149 20 0 HDADLO C[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000674659290 1074505280 /nfs/dbraw/zinc/50/52/80/1074505280.db2.gz SBDAYZRRUVOINY-HNNXBMFYSA-N 1 2 406.508 1.361 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000509233921 1074509917 /nfs/dbraw/zinc/50/99/17/1074509917.db2.gz LMVYGUIIXNRTEE-SFHVURJKSA-N 1 2 417.597 1.678 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000509233921 1074509923 /nfs/dbraw/zinc/50/99/23/1074509923.db2.gz LMVYGUIIXNRTEE-SFHVURJKSA-N 1 2 417.597 1.678 20 0 HDADLO C[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674666360 1074510005 /nfs/dbraw/zinc/51/00/05/1074510005.db2.gz SWICIUGJMBBUAT-HNAYVOBHSA-N 1 2 412.577 1.518 20 0 HDADLO COc1ccc([C@@H](CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)[NH+]2CCCCC2)cc1 ZINC000674682533 1074521843 /nfs/dbraw/zinc/52/18/43/1074521843.db2.gz NDWKZYRSFQNZOT-AZUAARDMSA-N 1 2 423.579 1.457 20 0 HDADLO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000766067782 1074549600 /nfs/dbraw/zinc/54/96/00/1074549600.db2.gz XFYTXRAJMIOATP-QAPCUYQASA-N 1 2 405.474 1.988 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000674764281 1074558056 /nfs/dbraw/zinc/55/80/56/1074558056.db2.gz UVFHXNGYIUPIQJ-QGZVFWFLSA-N 1 2 410.478 1.692 20 0 HDADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)ccc1-n1cnnn1 ZINC001128898330 1074647896 /nfs/dbraw/zinc/64/78/96/1074647896.db2.gz GFQZGGSUWPNJIJ-GXTWGEPZSA-N 1 2 421.299 1.360 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674981690 1074657022 /nfs/dbraw/zinc/65/70/22/1074657022.db2.gz WWHOMXPYXWSBJG-HKBOAZHASA-N 1 2 403.523 1.519 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674981693 1074657655 /nfs/dbraw/zinc/65/76/55/1074657655.db2.gz WWHOMXPYXWSBJG-QHAWAJNXSA-N 1 2 403.523 1.519 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000429310160 1074672471 /nfs/dbraw/zinc/67/24/71/1074672471.db2.gz OKDNIFXGMRNGIL-KKUMJFAQSA-N 1 2 410.540 1.593 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@@H](Oc4ccccn4)C3)ccn2)CC1 ZINC000543614172 1074715934 /nfs/dbraw/zinc/71/59/34/1074715934.db2.gz XVZFLLUCRUYBQN-QGZVFWFLSA-N 1 2 410.478 1.549 20 0 HDADLO Cc1nn(C)cc1S(=O)(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000675102516 1074719350 /nfs/dbraw/zinc/71/93/50/1074719350.db2.gz YIYLLCJBUXCIFD-UHFFFAOYSA-N 1 2 403.508 1.816 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CCN2C1=O ZINC000675105010 1074720197 /nfs/dbraw/zinc/72/01/97/1074720197.db2.gz VHQFPGARLJXTNW-AWEZNQCLSA-N 1 2 406.512 1.629 20 0 HDADLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490275705 1074739118 /nfs/dbraw/zinc/73/91/18/1074739118.db2.gz VFBCBNJHXXVGCW-UHFFFAOYSA-N 1 2 407.356 1.628 20 0 HDADLO CC(C)C(=O)N[C@H]1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000543616134 1074747760 /nfs/dbraw/zinc/74/77/60/1074747760.db2.gz FHNWAGWDICEZNP-KRWDZBQOSA-N 1 2 416.526 1.238 20 0 HDADLO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000675189471 1074752077 /nfs/dbraw/zinc/75/20/77/1074752077.db2.gz FKIPEKNDMNYSRV-OALUTQOASA-N 1 2 409.490 1.272 20 0 HDADLO CN1C(=O)COc2ccc(NC(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)cc21 ZINC000543616635 1074758188 /nfs/dbraw/zinc/75/81/88/1074758188.db2.gz LVHGXWDIXILVGA-UHFFFAOYSA-N 1 2 424.461 1.468 20 0 HDADLO CN(CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)CC(F)(F)F ZINC000543617547 1074759393 /nfs/dbraw/zinc/75/93/93/1074759393.db2.gz YBONLYQWMZZUGR-UHFFFAOYSA-N 1 2 402.421 1.085 20 0 HDADLO O=C(NCc1ccccc1)NC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000675218908 1074760253 /nfs/dbraw/zinc/76/02/53/1074760253.db2.gz KHOAGWOBXFZAGN-LJQANCHMSA-N 1 2 400.523 1.732 20 0 HDADLO CC1(c2cc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)no2)CCCC1 ZINC000555833429 1074760360 /nfs/dbraw/zinc/76/03/60/1074760360.db2.gz BNEUJRMISNWHPT-JKSUJKDBSA-N 1 2 404.511 2.204 20 0 HDADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218635 1074760925 /nfs/dbraw/zinc/76/09/25/1074760925.db2.gz RQJPMVJSGJFYSM-NWDGAFQWSA-N 1 2 416.341 1.562 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219197 1074761342 /nfs/dbraw/zinc/76/13/42/1074761342.db2.gz GGWMSLZNJQVZIW-GOSISDBHSA-N 1 2 421.563 1.716 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCNC(=O)CC3CCCC3)ccn2)CC1 ZINC000543617023 1074762983 /nfs/dbraw/zinc/76/29/83/1074762983.db2.gz SKKYJEFUEVGANL-UHFFFAOYSA-N 1 2 416.526 1.287 20 0 HDADLO C[C@H](CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccncc1 ZINC000675214610 1074765678 /nfs/dbraw/zinc/76/56/78/1074765678.db2.gz JAFPTIFWLKQWIY-QGZVFWFLSA-N 1 2 417.535 1.238 20 0 HDADLO CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1F ZINC000675260551 1074772592 /nfs/dbraw/zinc/77/25/92/1074772592.db2.gz FKRQMQOOAQLHGO-UHFFFAOYSA-N 1 2 419.478 1.441 20 0 HDADLO O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280558 1074785612 /nfs/dbraw/zinc/78/56/12/1074785612.db2.gz IKQKIQDCZYACRZ-MRXNPFEDSA-N 1 2 409.442 1.623 20 0 HDADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000766102083 1074801083 /nfs/dbraw/zinc/80/10/83/1074801083.db2.gz BLUPCOYSRAEOKL-UXHICEINSA-N 1 2 402.491 1.458 20 0 HDADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000766102083 1074801088 /nfs/dbraw/zinc/80/10/88/1074801088.db2.gz BLUPCOYSRAEOKL-UXHICEINSA-N 1 2 402.491 1.458 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)[nH+]c12 ZINC000675334122 1074804674 /nfs/dbraw/zinc/80/46/74/1074804674.db2.gz LISUWOZOJPZENC-UHFFFAOYSA-N 1 2 414.487 1.310 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCCC1 ZINC001487090309 1075113902 /nfs/dbraw/zinc/11/39/02/1075113902.db2.gz MVAOAPLAKUTQLF-UTNZCHACSA-N 1 2 412.534 1.882 20 0 HDADLO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc(C(=O)OC(C)C)cc3)CC2)no1 ZINC000441159984 1075117474 /nfs/dbraw/zinc/11/74/74/1075117474.db2.gz VDRHYWNTYUUOPT-UHFFFAOYSA-N 1 2 400.479 2.305 20 0 HDADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1)[NH+]1CCOCC1 ZINC000675396701 1075125988 /nfs/dbraw/zinc/12/59/88/1075125988.db2.gz JQAWYRCPHVMUBQ-PKOBYXMFSA-N 1 2 413.522 1.904 20 0 HDADLO CCCOCc1ccccc1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438319196 1075132527 /nfs/dbraw/zinc/13/25/27/1075132527.db2.gz IBWGPSDRSCZHBV-UHFFFAOYSA-N 1 2 401.511 2.464 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H]3CCOC3)cc2)CC1 ZINC000675409903 1075135296 /nfs/dbraw/zinc/13/52/96/1075135296.db2.gz QHRCJBRYJWHNSM-HKUYNNGSSA-N 1 2 402.539 1.694 20 0 HDADLO O=C(C[NH+]1CCC(OCCCO)CC1)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000675501716 1075185857 /nfs/dbraw/zinc/18/58/57/1075185857.db2.gz GJNPIYUGMKFDCE-UHFFFAOYSA-N 1 2 418.473 1.481 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000438332602 1075187414 /nfs/dbraw/zinc/18/74/14/1075187414.db2.gz RCMSWRMBKVTNOY-SFHVURJKSA-N 1 2 401.486 2.451 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000438328558 1075188970 /nfs/dbraw/zinc/18/89/70/1075188970.db2.gz SVYJXPXCMXSZGM-KRWDZBQOSA-N 1 2 403.458 2.390 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000426992957 1075190509 /nfs/dbraw/zinc/19/05/09/1075190509.db2.gz VDAKAKIROHTAEB-MRXNPFEDSA-N 1 2 412.412 1.776 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000463746840 1075190781 /nfs/dbraw/zinc/19/07/81/1075190781.db2.gz HJZXIZDDZSCLMZ-UHFFFAOYSA-N 1 2 418.885 1.651 20 0 HDADLO O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000675536771 1075194561 /nfs/dbraw/zinc/19/45/61/1075194561.db2.gz HNMYADLVDDARKB-QGZVFWFLSA-N 1 2 415.490 1.013 20 0 HDADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CC2)c1 ZINC000675587219 1075216385 /nfs/dbraw/zinc/21/63/85/1075216385.db2.gz ZPBCIOKJCRRORO-FQEVSTJZSA-N 1 2 411.506 1.653 20 0 HDADLO C[C@@H](CS(C)(=O)=O)N(C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000675567136 1075217573 /nfs/dbraw/zinc/21/75/73/1075217573.db2.gz SNQXWAFLGGCTQG-HNNXBMFYSA-N 1 2 422.551 1.504 20 0 HDADLO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000675607212 1075223648 /nfs/dbraw/zinc/22/36/48/1075223648.db2.gz CGZLBVRVWKHSAD-ZDUSSCGKSA-N 1 2 400.460 1.520 20 0 HDADLO COc1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000509358026 1075242500 /nfs/dbraw/zinc/24/25/00/1075242500.db2.gz NKSUJRRKRGUUPU-UHFFFAOYSA-N 1 2 418.563 1.458 20 0 HDADLO C[C@H](c1nc(-c2nc[nH]n2)no1)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000675610917 1075244997 /nfs/dbraw/zinc/24/49/97/1075244997.db2.gz VDYYMRGSQVXQLZ-OCCSQVGLSA-N 1 2 408.426 1.024 20 0 HDADLO C[C@H](c1nc(-c2nc[nH]n2)no1)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000675610917 1075245003 /nfs/dbraw/zinc/24/50/03/1075245003.db2.gz VDYYMRGSQVXQLZ-OCCSQVGLSA-N 1 2 408.426 1.024 20 0 HDADLO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000675697839 1075253262 /nfs/dbraw/zinc/25/32/62/1075253262.db2.gz CPJLWHFZAICAEO-QGZVFWFLSA-N 1 2 412.494 1.146 20 0 HDADLO COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)o1 ZINC000467332048 1075256100 /nfs/dbraw/zinc/25/61/00/1075256100.db2.gz WWEBBJYJJPJYQV-KRWDZBQOSA-N 1 2 403.483 2.324 20 0 HDADLO COCCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675701871 1075257147 /nfs/dbraw/zinc/25/71/47/1075257147.db2.gz GHMNKHQEGNSNIW-FUHWJXTLSA-N 1 2 405.495 1.410 20 0 HDADLO O=S(=O)(CC[C@H]1CCCO1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000675760976 1075266428 /nfs/dbraw/zinc/26/64/28/1075266428.db2.gz QKDAXZVTVWMXRE-GOSISDBHSA-N 1 2 401.960 1.951 20 0 HDADLO Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)n2)cc1 ZINC000675784797 1075271274 /nfs/dbraw/zinc/27/12/74/1075271274.db2.gz BAYAQKJJPYYZJV-SJORKVTESA-N 1 2 401.536 1.930 20 0 HDADLO Cc1cccn2cc(CCNC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)[nH+]c12 ZINC000675816314 1075276076 /nfs/dbraw/zinc/27/60/76/1075276076.db2.gz DEUDZQPKDOSKHF-UHFFFAOYSA-N 1 2 421.505 1.220 20 0 HDADLO O=S(=O)(Cc1c[nH+]cn1Cc1ccccc1)c1nnc(NC[C@@H]2CCCO2)s1 ZINC000445554286 1075276522 /nfs/dbraw/zinc/27/65/22/1075276522.db2.gz PHUNGIKKSAWPSY-INIZCTEOSA-N 1 2 419.532 2.348 20 0 HDADLO CN(C)c1nc2cc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2o1 ZINC000675924555 1075292649 /nfs/dbraw/zinc/29/26/49/1075292649.db2.gz LEGLFXVQNYSBFS-HNNXBMFYSA-N 1 2 401.467 1.156 20 0 HDADLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000429384541 1075300478 /nfs/dbraw/zinc/30/04/78/1075300478.db2.gz LWOVVZCDFJOLTK-INIZCTEOSA-N 1 2 412.494 1.416 20 0 HDADLO CC(C)COC(=O)N1CCC(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000731336162 1075308213 /nfs/dbraw/zinc/30/82/13/1075308213.db2.gz OIIAZLLLLRILAN-UHFFFAOYSA-N 1 2 407.515 1.658 20 0 HDADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC[C@@]1(O)CCCc2ccccc21 ZINC000731360184 1075320650 /nfs/dbraw/zinc/32/06/50/1075320650.db2.gz VVYXTRKZDNJZFN-SFTDATJTSA-N 1 2 405.564 1.718 20 0 HDADLO O=S(=O)(Nc1ccnn1-c1cc[nH+]cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000676028081 1075329708 /nfs/dbraw/zinc/32/97/08/1075329708.db2.gz COYYLKSZSPGCDN-UHFFFAOYSA-N 1 2 419.488 1.608 20 0 HDADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc2c(c1)C(=O)NCC2 ZINC000676051037 1075332457 /nfs/dbraw/zinc/33/24/57/1075332457.db2.gz HXHKMZHGEQJVPO-UHFFFAOYSA-N 1 2 407.474 1.435 20 0 HDADLO O=C(NCCOc1cccnc1)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000804076024 1075334703 /nfs/dbraw/zinc/33/47/03/1075334703.db2.gz BTCRMQOJCOMNRV-UHFFFAOYSA-N 1 2 416.909 1.965 20 0 HDADLO O=C(NCCOc1cccnc1)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000804076024 1075334709 /nfs/dbraw/zinc/33/47/09/1075334709.db2.gz BTCRMQOJCOMNRV-UHFFFAOYSA-N 1 2 416.909 1.965 20 0 HDADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCCOc3cccnc3)CC2)cc1 ZINC000804075130 1075335479 /nfs/dbraw/zinc/33/54/79/1075335479.db2.gz SWMMMMLFLGTBNY-UHFFFAOYSA-N 1 2 411.506 1.428 20 0 HDADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)CC2 ZINC000676041093 1075338817 /nfs/dbraw/zinc/33/88/17/1075338817.db2.gz ZXWNESUSNRYQBQ-UHFFFAOYSA-N 1 2 407.478 1.662 20 0 HDADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)CC2 ZINC000676041093 1075338820 /nfs/dbraw/zinc/33/88/20/1075338820.db2.gz ZXWNESUSNRYQBQ-UHFFFAOYSA-N 1 2 407.478 1.662 20 0 HDADLO COC(=O)[C@H]1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)[C@H](C(=O)OC)C1 ZINC000509381830 1075352510 /nfs/dbraw/zinc/35/25/10/1075352510.db2.gz AHFGZZYDVBJVIL-HOCLYGCPSA-N 1 2 419.503 1.829 20 0 HDADLO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000546815949 1075382651 /nfs/dbraw/zinc/38/26/51/1075382651.db2.gz IPUGGLKADCQSFW-UHFFFAOYSA-N 1 2 415.519 1.596 20 0 HDADLO CCOc1ccnc(N2CCCN(c3nc(NCCO)c4ccccc4[nH+]3)CC2)n1 ZINC000531750054 1075385076 /nfs/dbraw/zinc/38/50/76/1075385076.db2.gz CUJJYJOBERWJGL-UHFFFAOYSA-N 1 2 409.494 1.939 20 0 HDADLO CCc1cccc(OCC[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451003 1075387352 /nfs/dbraw/zinc/38/73/52/1075387352.db2.gz AAAKRJPEKZPCGH-NALHQMNBSA-N 1 2 400.519 1.868 20 0 HDADLO CCc1cccc(OCC[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451003 1075387356 /nfs/dbraw/zinc/38/73/56/1075387356.db2.gz AAAKRJPEKZPCGH-NALHQMNBSA-N 1 2 400.519 1.868 20 0 HDADLO COc1ccc(OC)c(NC(=S)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731570257 1075390835 /nfs/dbraw/zinc/39/08/35/1075390835.db2.gz SBNSBQZIVJLBLE-UHFFFAOYSA-N 1 2 401.554 1.499 20 0 HDADLO CN(CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)S(C)(=O)=O ZINC000676143461 1075397357 /nfs/dbraw/zinc/39/73/57/1075397357.db2.gz VZDQCWNXTJAWOH-QZTJIDSGSA-N 1 2 405.524 1.692 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCCc2ccn(-c3ccccc3)n2)C1 ZINC000804106272 1075408379 /nfs/dbraw/zinc/40/83/79/1075408379.db2.gz ISOWVIJNUYXMRO-QGZVFWFLSA-N 1 2 406.490 1.671 20 0 HDADLO Cc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000543662078 1075412522 /nfs/dbraw/zinc/41/25/22/1075412522.db2.gz JYEXAGIIQRVHSJ-HUUCEWRRSA-N 1 2 410.540 1.666 20 0 HDADLO CCc1ccccc1N1C[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000731650489 1075430961 /nfs/dbraw/zinc/43/09/61/1075430961.db2.gz ONCGHXOMGVTLAZ-QGZVFWFLSA-N 1 2 421.563 1.227 20 0 HDADLO CCN(CC)C(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731650161 1075431436 /nfs/dbraw/zinc/43/14/36/1075431436.db2.gz GJGLRVKCYOBLSL-UHFFFAOYSA-N 1 2 409.552 1.407 20 0 HDADLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731651215 1075433540 /nfs/dbraw/zinc/43/35/40/1075433540.db2.gz YUDOHXGFJOGBPD-RDTXWAMCSA-N 1 2 407.536 1.520 20 0 HDADLO COc1ccc2nc(C)c(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2c1 ZINC000731651067 1075433971 /nfs/dbraw/zinc/43/39/71/1075433971.db2.gz VBXDAVMEQRPCKG-UHFFFAOYSA-N 1 2 405.520 1.791 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2cccc(NC(=O)C3CC3)c2)CC1 ZINC000731650867 1075435313 /nfs/dbraw/zinc/43/53/13/1075435313.db2.gz NNERUWRWVBCCMU-UHFFFAOYSA-N 1 2 423.535 1.039 20 0 HDADLO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650608 1075435362 /nfs/dbraw/zinc/43/53/62/1075435362.db2.gz IHAHEVYGLMMKKV-UHFFFAOYSA-N 1 2 418.563 1.787 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000731650710 1075435812 /nfs/dbraw/zinc/43/58/12/1075435812.db2.gz XGQKUMNYYFVPHU-GOSISDBHSA-N 1 2 423.535 1.195 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000731686389 1075446202 /nfs/dbraw/zinc/44/62/02/1075446202.db2.gz UBZWLEGCSIRFLT-LJQANCHMSA-N 1 2 409.552 1.669 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000731686015 1075448085 /nfs/dbraw/zinc/44/80/85/1075448085.db2.gz IMGRMMZZJWLVQI-CQSZACIVSA-N 1 2 415.478 1.248 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000731685889 1075448519 /nfs/dbraw/zinc/44/85/19/1075448519.db2.gz FDWSLSQDYJGSQM-UHFFFAOYSA-N 1 2 414.597 1.084 20 0 HDADLO CCN1CC[NH+](C[C@H](C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731687536 1075449250 /nfs/dbraw/zinc/44/92/50/1075449250.db2.gz VXSXCYBSENWGCL-MRXNPFEDSA-N 1 2 401.486 1.375 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCCOc2ccc(F)cc2)CC1 ZINC000731680410 1075461644 /nfs/dbraw/zinc/46/16/44/1075461644.db2.gz KJSHNKVJCDCTQE-UHFFFAOYSA-N 1 2 415.531 1.793 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000731679863 1075462752 /nfs/dbraw/zinc/46/27/52/1075462752.db2.gz YDXNYROCYIJXPD-UHFFFAOYSA-N 1 2 422.551 1.122 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCCC3)nc2)CC1 ZINC000731681270 1075463280 /nfs/dbraw/zinc/46/32/80/1075463280.db2.gz QBNPUVFUXZXTRL-UHFFFAOYSA-N 1 2 423.583 1.380 20 0 HDADLO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)s3)CC2)CC1 ZINC000509399488 1075487789 /nfs/dbraw/zinc/48/77/89/1075487789.db2.gz CNAXKQWMWRLZAL-UHFFFAOYSA-N 1 2 400.614 1.655 20 0 HDADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676289647 1075494396 /nfs/dbraw/zinc/49/43/96/1075494396.db2.gz HIDMNIZJUACGRW-KBPBESRZSA-N 1 2 401.554 1.372 20 0 HDADLO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676289647 1075494398 /nfs/dbraw/zinc/49/43/98/1075494398.db2.gz HIDMNIZJUACGRW-KBPBESRZSA-N 1 2 401.554 1.372 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000429417114 1075495414 /nfs/dbraw/zinc/49/54/14/1075495414.db2.gz MOIVEWZNGFLAQG-UHFFFAOYSA-N 1 2 417.535 1.547 20 0 HDADLO CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(F)cc1F ZINC000533463421 1075499306 /nfs/dbraw/zinc/49/93/06/1075499306.db2.gz PWDSOVXHCQXSKW-KRWDZBQOSA-N 1 2 421.448 1.700 20 0 HDADLO C[C@@H](c1cccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000509403933 1075503826 /nfs/dbraw/zinc/50/38/26/1075503826.db2.gz DPUDDALLRYXOCZ-UWJYYQICSA-N 1 2 411.502 1.738 20 0 HDADLO CC[C@H]1c2ccsc2CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448505656 1075507040 /nfs/dbraw/zinc/50/70/40/1075507040.db2.gz XWCYKQINFTWPNH-INIZCTEOSA-N 1 2 417.535 1.751 20 0 HDADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731750873 1075508364 /nfs/dbraw/zinc/50/83/64/1075508364.db2.gz SJYNEMROKWGBBY-DOTOQJQBSA-N 1 2 418.494 1.805 20 0 HDADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000731750873 1075508366 /nfs/dbraw/zinc/50/83/66/1075508366.db2.gz SJYNEMROKWGBBY-DOTOQJQBSA-N 1 2 418.494 1.805 20 0 HDADLO CCN(CC)C(=O)c1ccccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731752520 1075508387 /nfs/dbraw/zinc/50/83/87/1075508387.db2.gz DRBPOSQLYYUYKO-UHFFFAOYSA-N 1 2 424.567 1.799 20 0 HDADLO COc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc(OC)c1OC ZINC000731750711 1075508392 /nfs/dbraw/zinc/50/83/92/1075508392.db2.gz HDFFXUMVFJUBKA-UHFFFAOYSA-N 1 2 415.512 1.343 20 0 HDADLO COC(=O)c1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(F)cc1F ZINC000731752833 1075510140 /nfs/dbraw/zinc/51/01/40/1075510140.db2.gz QXRVJZYFZPGXFH-UHFFFAOYSA-N 1 2 419.450 1.382 20 0 HDADLO CN1c2ccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2CCC1=O ZINC000731755564 1075511533 /nfs/dbraw/zinc/51/15/33/1075511533.db2.gz ALXYEMKTDHAWQL-UHFFFAOYSA-N 1 2 408.524 1.226 20 0 HDADLO CCNS(=O)(=O)CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000731756315 1075511863 /nfs/dbraw/zinc/51/18/63/1075511863.db2.gz HVQACAJJRZUEPK-HNNXBMFYSA-N 1 2 420.938 1.855 20 0 HDADLO O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676339976 1075513312 /nfs/dbraw/zinc/51/33/12/1075513312.db2.gz NDLLTSXFFJCRHH-HOTGVXAUSA-N 1 2 413.565 1.224 20 0 HDADLO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(OC)c1 ZINC000676340820 1075513922 /nfs/dbraw/zinc/51/39/22/1075513922.db2.gz KZNWTEOLQOVQKW-VQIMIIECSA-N 1 2 417.506 1.242 20 0 HDADLO COCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340602 1075514018 /nfs/dbraw/zinc/51/40/18/1075514018.db2.gz JDZDARNUBGHRPK-SFHVURJKSA-N 1 2 400.479 1.444 20 0 HDADLO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676341291 1075514381 /nfs/dbraw/zinc/51/43/81/1075514381.db2.gz KYOFTQQCTGMXPA-XLIONFOSSA-N 1 2 402.470 1.287 20 0 HDADLO COCCN(CCc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731761562 1075514896 /nfs/dbraw/zinc/51/48/96/1075514896.db2.gz RHJOBTYQFQPPQC-UHFFFAOYSA-N 1 2 411.568 1.396 20 0 HDADLO O=C(COc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676342497 1075516432 /nfs/dbraw/zinc/51/64/32/1075516432.db2.gz PZPLRBNXAZPVFU-OALUTQOASA-N 1 2 401.507 1.237 20 0 HDADLO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676342286 1075516486 /nfs/dbraw/zinc/51/64/86/1075516486.db2.gz ZSAIWLGBTNBLQL-SQNIBIBYSA-N 1 2 424.586 1.145 20 0 HDADLO Cc1nc(COc2cccc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c2)no1 ZINC000536185128 1075517991 /nfs/dbraw/zinc/51/79/91/1075517991.db2.gz HADSMLWYNVDBBU-UHFFFAOYSA-N 1 2 412.450 1.738 20 0 HDADLO COc1c[nH+]c(NCc2nnc(C(C)C)n2C)nc1NCc1nnc(C(C)C)n1C ZINC000577132655 1075518649 /nfs/dbraw/zinc/51/86/49/1075518649.db2.gz AXKDBAPEABALRK-UHFFFAOYSA-N 1 2 414.518 2.213 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000731765134 1075519218 /nfs/dbraw/zinc/51/92/18/1075519218.db2.gz PYSYMZWIKBVIGI-UHFFFAOYSA-N 1 2 422.334 1.557 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000731764853 1075519765 /nfs/dbraw/zinc/51/97/65/1075519765.db2.gz GMNRILIBVPQEHD-UHFFFAOYSA-N 1 2 405.879 1.043 20 0 HDADLO C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000676346582 1075519831 /nfs/dbraw/zinc/51/98/31/1075519831.db2.gz AKJGMYTYSOOSBA-SJKOYZFVSA-N 1 2 410.471 1.404 20 0 HDADLO C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000676346582 1075519838 /nfs/dbraw/zinc/51/98/38/1075519838.db2.gz AKJGMYTYSOOSBA-SJKOYZFVSA-N 1 2 410.471 1.404 20 0 HDADLO Cc1nc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)nc(N[C@H]2CC(=O)N(C(C)(C)C)C2)[nH+]1 ZINC000480139989 1075525057 /nfs/dbraw/zinc/52/50/57/1075525057.db2.gz PHWQWMHZWUDOER-OKILXGFUSA-N 1 2 403.531 1.803 20 0 HDADLO Cc1nc(N[C@H]2CC(=O)N(C(C)(C)C)C2)nc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)[nH+]1 ZINC000480139989 1075525061 /nfs/dbraw/zinc/52/50/61/1075525061.db2.gz PHWQWMHZWUDOER-OKILXGFUSA-N 1 2 403.531 1.803 20 0 HDADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000676351978 1075528374 /nfs/dbraw/zinc/52/83/74/1075528374.db2.gz BYVQTLVEUOAHGG-LBPRGKRZSA-N 1 2 402.473 1.420 20 0 HDADLO Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000550912615 1075528404 /nfs/dbraw/zinc/52/84/04/1075528404.db2.gz WSGOGMZZQXULCP-HNNXBMFYSA-N 1 2 405.524 2.127 20 0 HDADLO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000509410382 1075529765 /nfs/dbraw/zinc/52/97/65/1075529765.db2.gz ILBSYIFWYZKMCG-CQSZACIVSA-N 1 2 410.496 1.164 20 0 HDADLO CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000509410381 1075529796 /nfs/dbraw/zinc/52/97/96/1075529796.db2.gz ILBSYIFWYZKMCG-AWEZNQCLSA-N 1 2 410.496 1.164 20 0 HDADLO Cc1[nH+]cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)n1-c1ccccc1 ZINC000463053831 1075533831 /nfs/dbraw/zinc/53/38/31/1075533831.db2.gz MCFNBWSEALAFEK-UHFFFAOYSA-N 1 2 413.503 2.209 20 0 HDADLO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000676391239 1075535391 /nfs/dbraw/zinc/53/53/91/1075535391.db2.gz WYTVTQZOEBLULP-AEFFLSMTSA-N 1 2 404.511 1.198 20 0 HDADLO C[C@@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676401889 1075544329 /nfs/dbraw/zinc/54/43/29/1075544329.db2.gz GOIBELCBELINNU-IUODEOHRSA-N 1 2 403.870 1.831 20 0 HDADLO C[C@@H](NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676401889 1075544331 /nfs/dbraw/zinc/54/43/31/1075544331.db2.gz GOIBELCBELINNU-IUODEOHRSA-N 1 2 403.870 1.831 20 0 HDADLO CNC(=O)COc1cccc(CC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000676423176 1075545712 /nfs/dbraw/zinc/54/57/12/1075545712.db2.gz KFJGONAMNCBMNN-UHFFFAOYSA-N 1 2 424.501 1.380 20 0 HDADLO O=C(CN1CCC[C@H](n2cc[nH+]c2)C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000676478385 1075560292 /nfs/dbraw/zinc/56/02/92/1075560292.db2.gz NIKXOOANVKBLPW-OALUTQOASA-N 1 2 408.568 1.868 20 0 HDADLO CS(=O)(=O)c1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cc1 ZINC000676495098 1075565310 /nfs/dbraw/zinc/56/53/10/1075565310.db2.gz HUGNEFVLDKARJB-UHFFFAOYSA-N 1 2 424.548 1.179 20 0 HDADLO CC[NH+](CC)[C@H](C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000731907061 1075565743 /nfs/dbraw/zinc/56/57/43/1075565743.db2.gz DRZKNESBUWXSON-IBGZPJMESA-N 1 2 419.503 1.899 20 0 HDADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1nc2ccccc2s1 ZINC000804164910 1075568152 /nfs/dbraw/zinc/56/81/52/1075568152.db2.gz OEQVRCMIQWQYBS-CABCVRRESA-N 1 2 402.520 1.797 20 0 HDADLO COc1ccc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)cc1OC ZINC000676495673 1075573692 /nfs/dbraw/zinc/57/36/92/1075573692.db2.gz PFHZLVAOWINZSY-UHFFFAOYSA-N 1 2 406.508 1.793 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1nc(-c2ccco2)no1 ZINC000731991146 1075587474 /nfs/dbraw/zinc/58/74/74/1075587474.db2.gz LCZCIXVSIZCKQB-OAHLLOKOSA-N 1 2 404.423 1.086 20 0 HDADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676545442 1075590545 /nfs/dbraw/zinc/59/05/45/1075590545.db2.gz QTAHEVABTDFIJJ-UHFFFAOYSA-N 1 2 415.457 1.826 20 0 HDADLO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000676547425 1075592736 /nfs/dbraw/zinc/59/27/36/1075592736.db2.gz KHJMEHWXVBMCFV-INIZCTEOSA-N 1 2 417.535 1.563 20 0 HDADLO Cn1c2cccc(F)c2nc1NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478354717 1075596727 /nfs/dbraw/zinc/59/67/27/1075596727.db2.gz HNGJYCVFRPJDHX-UHFFFAOYSA-N 1 2 418.498 1.671 20 0 HDADLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448494601 1075599002 /nfs/dbraw/zinc/59/90/02/1075599002.db2.gz GMXODTHVPYOGNJ-AWEZNQCLSA-N 1 2 421.448 1.652 20 0 HDADLO Cn1cc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(-c2ccccc2)n1 ZINC000543883153 1075602846 /nfs/dbraw/zinc/60/28/46/1075602846.db2.gz ABYNZAGJJGNLNW-UHFFFAOYSA-N 1 2 409.494 1.938 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCOc2ncccc2F)CC1 ZINC000676590851 1075607564 /nfs/dbraw/zinc/60/75/64/1075607564.db2.gz HDKMPCQJSJVEBY-UHFFFAOYSA-N 1 2 401.442 1.809 20 0 HDADLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000676662145 1075643587 /nfs/dbraw/zinc/64/35/87/1075643587.db2.gz DLBVOOFPBJNLAB-HIFRSBDPSA-N 1 2 401.467 1.377 20 0 HDADLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000732187368 1075653986 /nfs/dbraw/zinc/65/39/86/1075653986.db2.gz SBFFJNXNOUOAPF-CVDCTZTESA-N 1 2 410.518 1.987 20 0 HDADLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)C1=O ZINC000732187368 1075653988 /nfs/dbraw/zinc/65/39/88/1075653988.db2.gz SBFFJNXNOUOAPF-CVDCTZTESA-N 1 2 410.518 1.987 20 0 HDADLO O=C([C@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1)N1CCCC1 ZINC000732189220 1075654928 /nfs/dbraw/zinc/65/49/28/1075654928.db2.gz BVIHKJOFLZGGNQ-INIZCTEOSA-N 1 2 420.583 1.877 20 0 HDADLO O=C([C@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1)N1CCCC1 ZINC000732189220 1075654929 /nfs/dbraw/zinc/65/49/29/1075654929.db2.gz BVIHKJOFLZGGNQ-INIZCTEOSA-N 1 2 420.583 1.877 20 0 HDADLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000676706108 1075656093 /nfs/dbraw/zinc/65/60/93/1075656093.db2.gz DYGMESSMMNMCLC-OAHLLOKOSA-N 1 2 406.483 1.508 20 0 HDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676717580 1075658652 /nfs/dbraw/zinc/65/86/52/1075658652.db2.gz WMTKQSBNNNVXJJ-SCLBCKFNSA-N 1 2 417.535 1.355 20 0 HDADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676717580 1075658654 /nfs/dbraw/zinc/65/86/54/1075658654.db2.gz WMTKQSBNNNVXJJ-SCLBCKFNSA-N 1 2 417.535 1.355 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000732206600 1075664555 /nfs/dbraw/zinc/66/45/55/1075664555.db2.gz HAXBMPPPIFEWIQ-GFCCVEGCSA-N 1 2 400.501 1.118 20 0 HDADLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000732206600 1075664559 /nfs/dbraw/zinc/66/45/59/1075664559.db2.gz HAXBMPPPIFEWIQ-GFCCVEGCSA-N 1 2 400.501 1.118 20 0 HDADLO CC[C@@H]1C[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C[C@@H](C)O1 ZINC000732208148 1075665855 /nfs/dbraw/zinc/66/58/55/1075665855.db2.gz IXMGMOPFOHHCOX-JIQCAUBZSA-N 1 2 418.519 1.733 20 0 HDADLO CC[C@@H]1C[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C[C@@H](C)O1 ZINC000732208148 1075665857 /nfs/dbraw/zinc/66/58/57/1075665857.db2.gz IXMGMOPFOHHCOX-JIQCAUBZSA-N 1 2 418.519 1.733 20 0 HDADLO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000732210914 1075666712 /nfs/dbraw/zinc/66/67/12/1075666712.db2.gz NFIAWOQSJREQKX-HNNXBMFYSA-N 1 2 404.536 1.679 20 0 HDADLO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000732210914 1075666714 /nfs/dbraw/zinc/66/67/14/1075666714.db2.gz NFIAWOQSJREQKX-HNNXBMFYSA-N 1 2 404.536 1.679 20 0 HDADLO O=C(CNC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccc(F)c(F)c1 ZINC000732213527 1075669278 /nfs/dbraw/zinc/66/92/78/1075669278.db2.gz WZANLNKMFQHDBK-OAHLLOKOSA-N 1 2 408.449 1.496 20 0 HDADLO O=C(CNC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccc(F)c(F)c1 ZINC000732213527 1075669282 /nfs/dbraw/zinc/66/92/82/1075669282.db2.gz WZANLNKMFQHDBK-OAHLLOKOSA-N 1 2 408.449 1.496 20 0 HDADLO O[C@@H](C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000732204427 1075676169 /nfs/dbraw/zinc/67/61/69/1075676169.db2.gz LDLBHTIQNKNJKD-IBGZPJMESA-N 1 2 400.433 1.792 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@@H](c4ccco4)C3)C2=O)c1 ZINC000732206005 1075676610 /nfs/dbraw/zinc/67/66/10/1075676610.db2.gz PUJQGSRHAIRSQK-SPLOXXLWSA-N 1 2 412.446 1.576 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@@H](c4ccco4)C3)C2=O)c1 ZINC000732206005 1075676614 /nfs/dbraw/zinc/67/66/14/1075676614.db2.gz PUJQGSRHAIRSQK-SPLOXXLWSA-N 1 2 412.446 1.576 20 0 HDADLO CCCCCC[N@H+](C)CC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000732273428 1075686190 /nfs/dbraw/zinc/68/61/90/1075686190.db2.gz WCVCNWSENRXNBR-UHFFFAOYSA-N 1 2 406.552 1.792 20 0 HDADLO CCCCCC[N@@H+](C)CC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000732273428 1075686192 /nfs/dbraw/zinc/68/61/92/1075686192.db2.gz WCVCNWSENRXNBR-UHFFFAOYSA-N 1 2 406.552 1.792 20 0 HDADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N2CCN3CCOC[C@H]3C2)c2ccc(Cl)cc2)C1 ZINC000543684909 1075706609 /nfs/dbraw/zinc/70/66/09/1075706609.db2.gz AVYUWCIFVDPPDX-QYZOEREBSA-N 1 2 408.930 1.438 20 0 HDADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N2CCN3CCOC[C@H]3C2)c2ccc(Cl)cc2)C1 ZINC000543684909 1075706614 /nfs/dbraw/zinc/70/66/14/1075706614.db2.gz AVYUWCIFVDPPDX-QYZOEREBSA-N 1 2 408.930 1.438 20 0 HDADLO Nc1nccc([C@@H]2CCCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)n1 ZINC000568662120 1075713837 /nfs/dbraw/zinc/71/38/37/1075713837.db2.gz LGXMIQFAMQIPFK-QGZVFWFLSA-N 1 2 423.521 1.289 20 0 HDADLO Cn1ccnc1[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000608313107 1075714894 /nfs/dbraw/zinc/71/48/94/1075714894.db2.gz JXDLUTAJRSSLQA-IBGZPJMESA-N 1 2 409.494 1.860 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCCC[C@H]1C1OCCO1 ZINC000732456099 1075743081 /nfs/dbraw/zinc/74/30/81/1075743081.db2.gz MSDWRIARNHXXOX-FQEVSTJZSA-N 1 2 419.522 1.835 20 0 HDADLO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)c1ccccc1Cl ZINC000448530397 1075748154 /nfs/dbraw/zinc/74/81/54/1075748154.db2.gz VWSYGXBRZJNRNP-ZDUSSCGKSA-N 1 2 417.819 2.456 20 0 HDADLO CC(C)(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc2c(c1)OCCO2 ZINC000520929145 1075750796 /nfs/dbraw/zinc/75/07/96/1075750796.db2.gz PEBGDRUTBJKAHO-UHFFFAOYSA-N 1 2 400.479 1.903 20 0 HDADLO COc1ccc([C@H](O)CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000732476529 1075757362 /nfs/dbraw/zinc/75/73/62/1075757362.db2.gz MZZPNKHNRCROAX-RBBKRZOGSA-N 1 2 413.518 1.971 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000732491028 1075764445 /nfs/dbraw/zinc/76/44/45/1075764445.db2.gz PUFSEWCNTIBQOV-MRXNPFEDSA-N 1 2 405.462 1.334 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000732491028 1075764451 /nfs/dbraw/zinc/76/44/51/1075764451.db2.gz PUFSEWCNTIBQOV-MRXNPFEDSA-N 1 2 405.462 1.334 20 0 HDADLO COCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000732491469 1075765035 /nfs/dbraw/zinc/76/50/35/1075765035.db2.gz RVBPNGNVUOONRV-QGZVFWFLSA-N 1 2 424.501 1.943 20 0 HDADLO COCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000732491469 1075765038 /nfs/dbraw/zinc/76/50/38/1075765038.db2.gz RVBPNGNVUOONRV-QGZVFWFLSA-N 1 2 424.501 1.943 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000547327196 1075766958 /nfs/dbraw/zinc/76/69/58/1075766958.db2.gz CYRXEVISDQUJLT-JKSUJKDBSA-N 1 2 403.342 1.947 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](C)C1 ZINC000466645582 1075783173 /nfs/dbraw/zinc/78/31/73/1075783173.db2.gz WNYCQOQPIDZEFY-HNNXBMFYSA-N 1 2 415.490 1.630 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](C)C1 ZINC000466645582 1075783177 /nfs/dbraw/zinc/78/31/77/1075783177.db2.gz WNYCQOQPIDZEFY-HNNXBMFYSA-N 1 2 415.490 1.630 20 0 HDADLO C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc2cc(Cl)ccc2[nH]1 ZINC000732559244 1075785126 /nfs/dbraw/zinc/78/51/26/1075785126.db2.gz JLTHIAQWEZHELR-KBPBESRZSA-N 1 2 419.913 1.574 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000499181530 1075797840 /nfs/dbraw/zinc/79/78/40/1075797840.db2.gz PDPVWWFMTFXXOW-WMZOPIPTSA-N 1 2 403.433 1.998 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc3n(n2)CCCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000499181530 1075797844 /nfs/dbraw/zinc/79/78/44/1075797844.db2.gz PDPVWWFMTFXXOW-WMZOPIPTSA-N 1 2 403.433 1.998 20 0 HDADLO CN(CCCn1ccnc1)C(=O)c1cccc(C(=O)N(C)CCCn2cc[nH+]c2)n1 ZINC000488285887 1075807480 /nfs/dbraw/zinc/80/74/80/1075807480.db2.gz ONRUGTGYDNWFRI-UHFFFAOYSA-N 1 2 409.494 1.799 20 0 HDADLO CCCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](CCC(=O)OCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000611037098 1075817822 /nfs/dbraw/zinc/81/78/22/1075817822.db2.gz BPFRMQGOVCKABS-KSZLIROESA-N 1 2 416.584 1.856 20 0 HDADLO CCCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](CCC(=O)OCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000611037098 1075817828 /nfs/dbraw/zinc/81/78/28/1075817828.db2.gz BPFRMQGOVCKABS-KSZLIROESA-N 1 2 416.584 1.856 20 0 HDADLO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000611038360 1075818750 /nfs/dbraw/zinc/81/87/50/1075818750.db2.gz QKTRWKVFOIPEJL-IKGGRYGDSA-N 1 2 402.557 1.466 20 0 HDADLO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000611038360 1075818754 /nfs/dbraw/zinc/81/87/54/1075818754.db2.gz QKTRWKVFOIPEJL-IKGGRYGDSA-N 1 2 402.557 1.466 20 0 HDADLO CNC(=O)Cn1nc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000471927987 1075823679 /nfs/dbraw/zinc/82/36/79/1075823679.db2.gz PVXATQNCSSBBRP-QAPCUYQASA-N 1 2 406.437 1.783 20 0 HDADLO CNC(=O)Cn1nc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1C ZINC000471927987 1075823685 /nfs/dbraw/zinc/82/36/85/1075823685.db2.gz PVXATQNCSSBBRP-QAPCUYQASA-N 1 2 406.437 1.783 20 0 HDADLO COCCN(CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)Cc1cccnc1 ZINC000429288510 1075827878 /nfs/dbraw/zinc/82/78/78/1075827878.db2.gz WHLDAVXLTUNDDC-UHFFFAOYSA-N 1 2 412.534 1.883 20 0 HDADLO Cc1c(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cccc1N1CCNC1=O ZINC000489912261 1075845362 /nfs/dbraw/zinc/84/53/62/1075845362.db2.gz KJEGLPFOQRNBQN-UHFFFAOYSA-N 1 2 413.482 1.697 20 0 HDADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000611170272 1075866535 /nfs/dbraw/zinc/86/65/35/1075866535.db2.gz ZYKIRUWCZBDCRW-PBHICJAKSA-N 1 2 411.520 1.991 20 0 HDADLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000611170272 1075866540 /nfs/dbraw/zinc/86/65/40/1075866540.db2.gz ZYKIRUWCZBDCRW-PBHICJAKSA-N 1 2 411.520 1.991 20 0 HDADLO O=C(CCNC(=O)N1CCCCC[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000489126512 1075868566 /nfs/dbraw/zinc/86/85/66/1075868566.db2.gz CENBSVQIHFCVPV-GOSISDBHSA-N 1 2 403.527 1.457 20 0 HDADLO NC(=O)CCN(C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)c1ccc(F)cc1 ZINC000732809514 1075870316 /nfs/dbraw/zinc/87/03/16/1075870316.db2.gz WBQVEZWJGWBFMR-SFHVURJKSA-N 1 2 404.486 1.511 20 0 HDADLO NC(=O)CCN(C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)c1ccc(F)cc1 ZINC000732809514 1075870323 /nfs/dbraw/zinc/87/03/23/1075870323.db2.gz WBQVEZWJGWBFMR-SFHVURJKSA-N 1 2 404.486 1.511 20 0 HDADLO CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809158 1075870730 /nfs/dbraw/zinc/87/07/30/1075870730.db2.gz BAUJHZVXEJPANO-OAHLLOKOSA-N 1 2 418.485 1.487 20 0 HDADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810022 1075871791 /nfs/dbraw/zinc/87/17/91/1075871791.db2.gz IWENSUBGIVJTTP-MFKMUULPSA-N 1 2 404.364 1.957 20 0 HDADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810022 1075871795 /nfs/dbraw/zinc/87/17/95/1075871795.db2.gz IWENSUBGIVJTTP-MFKMUULPSA-N 1 2 404.364 1.957 20 0 HDADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732810667 1075872232 /nfs/dbraw/zinc/87/22/32/1075872232.db2.gz NVLMDBJIQJBXFX-HOCLYGCPSA-N 1 2 401.429 1.974 20 0 HDADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732810667 1075872239 /nfs/dbraw/zinc/87/22/39/1075872239.db2.gz NVLMDBJIQJBXFX-HOCLYGCPSA-N 1 2 401.429 1.974 20 0 HDADLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732812354 1075873145 /nfs/dbraw/zinc/87/31/45/1075873145.db2.gz CJSTZAGLFOIXTF-DOMZBBRYSA-N 1 2 415.412 1.573 20 0 HDADLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732812354 1075873148 /nfs/dbraw/zinc/87/31/48/1075873148.db2.gz CJSTZAGLFOIXTF-DOMZBBRYSA-N 1 2 415.412 1.573 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000732813209 1075874241 /nfs/dbraw/zinc/87/42/41/1075874241.db2.gz IXRFJUARDJUXDD-BFHYXJOUSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000732813209 1075874244 /nfs/dbraw/zinc/87/42/44/1075874244.db2.gz IXRFJUARDJUXDD-BFHYXJOUSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000732813213 1075874276 /nfs/dbraw/zinc/87/42/76/1075874276.db2.gz IXRFJUARDJUXDD-MGPQQGTHSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000732813213 1075874280 /nfs/dbraw/zinc/87/42/80/1075874280.db2.gz IXRFJUARDJUXDD-MGPQQGTHSA-N 1 2 407.433 1.272 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814741 1075876100 /nfs/dbraw/zinc/87/61/00/1075876100.db2.gz UJGHHTYJTSZWNW-HUUCEWRRSA-N 1 2 413.444 1.214 20 0 HDADLO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814741 1075876105 /nfs/dbraw/zinc/87/61/05/1075876105.db2.gz UJGHHTYJTSZWNW-HUUCEWRRSA-N 1 2 413.444 1.214 20 0 HDADLO CCn1cc(NC(=S)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000732913007 1075910340 /nfs/dbraw/zinc/91/03/40/1075910340.db2.gz PESRMJNDXKCWTH-OAHLLOKOSA-N 1 2 416.555 1.485 20 0 HDADLO CCn1cc(NC(=S)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000732913007 1075910342 /nfs/dbraw/zinc/91/03/42/1075910342.db2.gz PESRMJNDXKCWTH-OAHLLOKOSA-N 1 2 416.555 1.485 20 0 HDADLO S=C(NCc1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732913385 1075910462 /nfs/dbraw/zinc/91/04/62/1075910462.db2.gz TXJLIAULZWKNQR-GOSISDBHSA-N 1 2 412.563 1.946 20 0 HDADLO S=C(NCc1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732913385 1075910467 /nfs/dbraw/zinc/91/04/67/1075910467.db2.gz TXJLIAULZWKNQR-GOSISDBHSA-N 1 2 412.563 1.946 20 0 HDADLO CCN(CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccccc1 ZINC000732915510 1075911542 /nfs/dbraw/zinc/91/15/42/1075911542.db2.gz KKPYKFSOCCZQEC-LJQANCHMSA-N 1 2 424.549 1.925 20 0 HDADLO CCN(CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000732915510 1075911547 /nfs/dbraw/zinc/91/15/47/1075911547.db2.gz KKPYKFSOCCZQEC-LJQANCHMSA-N 1 2 424.549 1.925 20 0 HDADLO O=C(NOCc1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915238 1075912226 /nfs/dbraw/zinc/91/22/26/1075912226.db2.gz ZTMDOGMYEXUHRI-GOSISDBHSA-N 1 2 412.494 1.713 20 0 HDADLO O=C(NOCc1ccccc1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915238 1075912232 /nfs/dbraw/zinc/91/22/32/1075912232.db2.gz ZTMDOGMYEXUHRI-GOSISDBHSA-N 1 2 412.494 1.713 20 0 HDADLO CCCCCCNC(=O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000732984243 1075938136 /nfs/dbraw/zinc/93/81/36/1075938136.db2.gz DBSFWXXHDGRDOZ-UHFFFAOYSA-N 1 2 401.495 1.971 20 0 HDADLO COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000611540805 1075955178 /nfs/dbraw/zinc/95/51/78/1075955178.db2.gz ZIPOMCJYJFGDQW-HZPDHXFCSA-N 1 2 402.900 1.346 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490226228 1075963321 /nfs/dbraw/zinc/96/33/21/1075963321.db2.gz XXWYNJGDKHSIQR-MOPGFXCFSA-N 1 2 412.481 1.046 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490226228 1075963326 /nfs/dbraw/zinc/96/33/26/1075963326.db2.gz XXWYNJGDKHSIQR-MOPGFXCFSA-N 1 2 412.481 1.046 20 0 HDADLO C[N@@H+]1CC[C@H](NC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490226229 1075963423 /nfs/dbraw/zinc/96/34/23/1075963423.db2.gz XXWYNJGDKHSIQR-OALUTQOASA-N 1 2 412.481 1.046 20 0 HDADLO C[N@H+]1CC[C@H](NC(=O)N(CCO)CCN2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490226229 1075963426 /nfs/dbraw/zinc/96/34/26/1075963426.db2.gz XXWYNJGDKHSIQR-OALUTQOASA-N 1 2 412.481 1.046 20 0 HDADLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC2(CC[NH+](Cc3cnon3)CC2)[C@H]2COC[C@H]21 ZINC001079252364 1075967289 /nfs/dbraw/zinc/96/72/89/1075967289.db2.gz HUDSZFVNSPHGID-GPFWEFOESA-N 1 2 402.495 1.324 20 0 HDADLO CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)ccc21 ZINC000105154043 1075969529 /nfs/dbraw/zinc/96/95/29/1075969529.db2.gz ZHGGFNWFRHXQQQ-SFHVURJKSA-N 1 2 409.552 1.621 20 0 HDADLO CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)ccc21 ZINC000105154043 1075969536 /nfs/dbraw/zinc/96/95/36/1075969536.db2.gz ZHGGFNWFRHXQQQ-SFHVURJKSA-N 1 2 409.552 1.621 20 0 HDADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1noc(-c2ccccc2)n1 ZINC000733105590 1075969781 /nfs/dbraw/zinc/96/97/81/1075969781.db2.gz JQTZQCHIKRASLY-KRWDZBQOSA-N 1 2 414.462 1.493 20 0 HDADLO C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001080154746 1075983238 /nfs/dbraw/zinc/98/32/38/1075983238.db2.gz IWUZQLCMKGHVOX-JAPAREKCSA-N 1 2 402.520 1.508 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001080154746 1075983239 /nfs/dbraw/zinc/98/32/39/1075983239.db2.gz IWUZQLCMKGHVOX-JAPAREKCSA-N 1 2 402.520 1.508 20 0 HDADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)c(=O)[nH]c1=O ZINC000050274143 1075992295 /nfs/dbraw/zinc/99/22/95/1075992295.db2.gz DHQMUYDNHOAPFG-AWEZNQCLSA-N 1 2 402.451 1.176 20 0 HDADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)c(=O)[nH]c1=O ZINC000050274143 1075992298 /nfs/dbraw/zinc/99/22/98/1075992298.db2.gz DHQMUYDNHOAPFG-AWEZNQCLSA-N 1 2 402.451 1.176 20 0 HDADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000095350589 1075998364 /nfs/dbraw/zinc/99/83/64/1075998364.db2.gz UWDYCRMEXGYJDB-MVGZEHJDSA-N 1 2 400.454 1.142 20 0 HDADLO C[C@]1(c2cccc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)c2)NC(=O)NC1=O ZINC000495077945 1076004500 /nfs/dbraw/zinc/00/45/00/1076004500.db2.gz GXPQRSCTLJXNDV-JOCHJYFZSA-N 1 2 408.458 1.826 20 0 HDADLO CCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000097137012 1076032412 /nfs/dbraw/zinc/03/24/12/1076032412.db2.gz IZIPTCNTKDXJCT-TWGQIWQCSA-N 1 2 405.564 1.906 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)C1=O ZINC000733294618 1076041312 /nfs/dbraw/zinc/04/13/12/1076041312.db2.gz LBUJUCJVFAQNKZ-NRFANRHFSA-N 1 2 400.479 1.202 20 0 HDADLO COC[C@@]1(C)NC(=O)N(CN(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC000733297985 1076042030 /nfs/dbraw/zinc/04/20/30/1076042030.db2.gz FQYSVAWOGQNMKQ-LAUBAEHRSA-N 1 2 404.511 1.124 20 0 HDADLO COC[C@@]1(C)NC(=O)N(CN(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC000733297982 1076042073 /nfs/dbraw/zinc/04/20/73/1076042073.db2.gz FQYSVAWOGQNMKQ-DYESRHJHSA-N 1 2 404.511 1.124 20 0 HDADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000727173689 1076069419 /nfs/dbraw/zinc/06/94/19/1076069419.db2.gz QWWAUGZJIXLZNO-UHFFFAOYSA-N 1 2 419.551 1.813 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000727158250 1076071445 /nfs/dbraw/zinc/07/14/45/1076071445.db2.gz JWGAIBIMOMAMAB-FOIQADDNSA-N 1 2 414.506 1.835 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](CCC(N)=O)C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000727158250 1076071447 /nfs/dbraw/zinc/07/14/47/1076071447.db2.gz JWGAIBIMOMAMAB-FOIQADDNSA-N 1 2 414.506 1.835 20 0 HDADLO O=C(OCc1cn(CCc2ccccn2)nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001273266358 1076081683 /nfs/dbraw/zinc/08/16/83/1076081683.db2.gz PTBZKUQGGCTHBC-OAQYLSRUSA-N 1 2 407.474 1.860 20 0 HDADLO O=C(OCc1cn(CCc2ccccn2)nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001273266358 1076081692 /nfs/dbraw/zinc/08/16/92/1076081692.db2.gz PTBZKUQGGCTHBC-OAQYLSRUSA-N 1 2 407.474 1.860 20 0 HDADLO CCC[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000727227003 1076084994 /nfs/dbraw/zinc/08/49/94/1076084994.db2.gz KWDMYRGICWYNRU-RDJZCZTQSA-N 1 2 408.568 1.821 20 0 HDADLO CCC[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(=O)N1CCc2sccc2C1 ZINC000727227003 1076084999 /nfs/dbraw/zinc/08/49/99/1076084999.db2.gz KWDMYRGICWYNRU-RDJZCZTQSA-N 1 2 408.568 1.821 20 0 HDADLO C[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCCO1 ZINC000727438166 1076120855 /nfs/dbraw/zinc/12/08/55/1076120855.db2.gz YKHUORORWRQSFU-INIZCTEOSA-N 1 2 422.551 1.987 20 0 HDADLO C[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CCCO1 ZINC000727438166 1076120861 /nfs/dbraw/zinc/12/08/61/1076120861.db2.gz YKHUORORWRQSFU-INIZCTEOSA-N 1 2 422.551 1.987 20 0 HDADLO Cc1occc1C(=O)NC1CC[NH+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000727427117 1076127776 /nfs/dbraw/zinc/12/77/76/1076127776.db2.gz GCRXELKYCFJSHD-IBGZPJMESA-N 1 2 410.474 1.903 20 0 HDADLO NC(=O)CCNC(=O)c1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000733631560 1076134410 /nfs/dbraw/zinc/13/44/10/1076134410.db2.gz JLCPBHPWPLERBH-UHFFFAOYSA-N 1 2 406.446 1.799 20 0 HDADLO CO[C@H](CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(F)(F)F ZINC000733673909 1076157023 /nfs/dbraw/zinc/15/70/23/1076157023.db2.gz KOQPWUOSBQQBCC-IUODEOHRSA-N 1 2 403.401 1.712 20 0 HDADLO COC(=O)[C@@H]1CC12CC[NH+](Cn1nc3n(c1=S)c1ccccc1c(=O)n3C)CC2 ZINC000733791421 1076208217 /nfs/dbraw/zinc/20/82/17/1076208217.db2.gz MSVAXFRHWOTZKP-AWEZNQCLSA-N 1 2 413.503 1.950 20 0 HDADLO Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000534327526 1076247149 /nfs/dbraw/zinc/24/71/49/1076247149.db2.gz FNLVPPNHPMMMDP-MOPGFXCFSA-N 1 2 411.506 1.879 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1C ZINC000534539410 1076247808 /nfs/dbraw/zinc/24/78/08/1076247808.db2.gz KOAXEJJIUUVIBO-SFHVURJKSA-N 1 2 416.503 1.192 20 0 HDADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1C ZINC000534539410 1076247809 /nfs/dbraw/zinc/24/78/09/1076247809.db2.gz KOAXEJJIUUVIBO-SFHVURJKSA-N 1 2 416.503 1.192 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000534531743 1076247882 /nfs/dbraw/zinc/24/78/82/1076247882.db2.gz YCRPRZIIPAPSEH-LJQANCHMSA-N 1 2 421.544 1.692 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000534531743 1076247887 /nfs/dbraw/zinc/24/78/87/1076247887.db2.gz YCRPRZIIPAPSEH-LJQANCHMSA-N 1 2 421.544 1.692 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000535266610 1076250540 /nfs/dbraw/zinc/25/05/40/1076250540.db2.gz VEZWGYSOBXEAFE-IBGZPJMESA-N 1 2 421.544 1.592 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000535266610 1076250542 /nfs/dbraw/zinc/25/05/42/1076250542.db2.gz VEZWGYSOBXEAFE-IBGZPJMESA-N 1 2 421.544 1.592 20 0 HDADLO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535276680 1076251447 /nfs/dbraw/zinc/25/14/47/1076251447.db2.gz KNDKNMIKTRZVLP-LJQANCHMSA-N 1 2 410.474 1.395 20 0 HDADLO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535276680 1076251451 /nfs/dbraw/zinc/25/14/51/1076251451.db2.gz KNDKNMIKTRZVLP-LJQANCHMSA-N 1 2 410.474 1.395 20 0 HDADLO COc1cc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc(NS(C)(=O)=O)c1OC ZINC000536030711 1076253696 /nfs/dbraw/zinc/25/36/96/1076253696.db2.gz HQTSBSLHAAIYLB-QGZVFWFLSA-N 1 2 419.503 1.992 20 0 HDADLO COc1cc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc(NS(C)(=O)=O)c1OC ZINC000536030711 1076253703 /nfs/dbraw/zinc/25/37/03/1076253703.db2.gz HQTSBSLHAAIYLB-QGZVFWFLSA-N 1 2 419.503 1.992 20 0 HDADLO COc1cc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc(NS(C)(=O)=O)c1OC ZINC000536030710 1076253867 /nfs/dbraw/zinc/25/38/67/1076253867.db2.gz HQTSBSLHAAIYLB-KRWDZBQOSA-N 1 2 419.503 1.992 20 0 HDADLO COc1cc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc(NS(C)(=O)=O)c1OC ZINC000536030710 1076253870 /nfs/dbraw/zinc/25/38/70/1076253870.db2.gz HQTSBSLHAAIYLB-KRWDZBQOSA-N 1 2 419.503 1.992 20 0 HDADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)cc21 ZINC000536031900 1076254052 /nfs/dbraw/zinc/25/40/52/1076254052.db2.gz LVMHQSSYXRBDCF-IBGZPJMESA-N 1 2 419.485 1.629 20 0 HDADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)cc21 ZINC000536031900 1076254059 /nfs/dbraw/zinc/25/40/59/1076254059.db2.gz LVMHQSSYXRBDCF-IBGZPJMESA-N 1 2 419.485 1.629 20 0 HDADLO CC(C)(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065709408 1076257640 /nfs/dbraw/zinc/25/76/40/1076257640.db2.gz VJXDPFYRYUQATJ-SIFVSHMBSA-N 1 2 403.567 1.981 20 0 HDADLO O=C(NCCOc1cccnc1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000734009442 1076289263 /nfs/dbraw/zinc/28/92/63/1076289263.db2.gz PPWJMSBXDSSXPW-UHFFFAOYSA-N 1 2 400.479 1.671 20 0 HDADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000727940603 1076291538 /nfs/dbraw/zinc/29/15/38/1076291538.db2.gz LOFVZPQJUQUERQ-OAHLLOKOSA-N 1 2 420.514 1.378 20 0 HDADLO CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000727941144 1076292136 /nfs/dbraw/zinc/29/21/36/1076292136.db2.gz MHVSVMHUCDLIIH-MRXNPFEDSA-N 1 2 406.531 1.851 20 0 HDADLO CN(CCS(C)(=O)=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000734072259 1076301831 /nfs/dbraw/zinc/30/18/31/1076301831.db2.gz XXDGTMCLUVCUAA-HNNXBMFYSA-N 1 2 407.458 1.966 20 0 HDADLO CN(CCS(C)(=O)=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000734072259 1076301835 /nfs/dbraw/zinc/30/18/35/1076301835.db2.gz XXDGTMCLUVCUAA-HNNXBMFYSA-N 1 2 407.458 1.966 20 0 HDADLO Cc1ccccc1[C@@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)C1=O ZINC000728041052 1076317494 /nfs/dbraw/zinc/31/74/94/1076317494.db2.gz BASWOPALQLFOLH-JOCHJYFZSA-N 1 2 414.506 1.290 20 0 HDADLO CO[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 ZINC000728049272 1076319368 /nfs/dbraw/zinc/31/93/68/1076319368.db2.gz FDMNEISQENFEDC-JXFKEZNVSA-N 1 2 402.451 1.479 20 0 HDADLO CO[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 ZINC000728049272 1076319377 /nfs/dbraw/zinc/31/93/77/1076319377.db2.gz FDMNEISQENFEDC-JXFKEZNVSA-N 1 2 402.451 1.479 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3ccc(C)s3)C2=O)cc1 ZINC000728055980 1076323170 /nfs/dbraw/zinc/32/31/70/1076323170.db2.gz VFGAXHSXUSGRNG-HXUWFJFHSA-N 1 2 416.503 1.995 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3ccc(C)s3)C2=O)cc1 ZINC000728055980 1076323173 /nfs/dbraw/zinc/32/31/73/1076323173.db2.gz VFGAXHSXUSGRNG-HXUWFJFHSA-N 1 2 416.503 1.995 20 0 HDADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000028028534 1076361090 /nfs/dbraw/zinc/36/10/90/1076361090.db2.gz OSWKRNMOCCPRMO-UHFFFAOYSA-N 1 2 422.485 1.351 20 0 HDADLO CS(=O)(=O)[C@H]1CCN(c2[nH+]cnc3c2ccn3S(=O)(=O)c2ccccc2)C1 ZINC001166711424 1076367893 /nfs/dbraw/zinc/36/78/93/1076367893.db2.gz GJAOJHWUNYIUQH-AWEZNQCLSA-N 1 2 406.489 1.292 20 0 HDADLO CC(=O)N(c1nn(CN2CC[NH+](Cc3cnn(C)c3)CC2)c(=S)s1)C1CC1 ZINC000729988248 1076408422 /nfs/dbraw/zinc/40/84/22/1076408422.db2.gz FWFFBKWOTCQJSI-UHFFFAOYSA-N 1 2 407.569 1.698 20 0 HDADLO O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730087677 1076441384 /nfs/dbraw/zinc/44/13/84/1076441384.db2.gz XEBXJJWOXOBRLS-IRXDYDNUSA-N 1 2 402.520 1.133 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000730228427 1076486236 /nfs/dbraw/zinc/48/62/36/1076486236.db2.gz UHHURFAACPRCIT-AZUAARDMSA-N 1 2 402.539 1.930 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000730228358 1076486278 /nfs/dbraw/zinc/48/62/78/1076486278.db2.gz SIKUAZYESNKGNT-CQSZACIVSA-N 1 2 421.592 1.680 20 0 HDADLO COc1ccc(C[C@@]2(C)NC(=O)N(C[NH+]3CCC(C(=O)N(C)C)CC3)C2=O)cc1 ZINC000730253153 1076499056 /nfs/dbraw/zinc/49/90/56/1076499056.db2.gz RZXSBEVQFIEAKP-OAQYLSRUSA-N 1 2 402.495 1.306 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCCc4ccccc4C3)C2=O)c1 ZINC000730265570 1076507068 /nfs/dbraw/zinc/50/70/68/1076507068.db2.gz WVLHMSUZJRXDCP-HSZRJFAPSA-N 1 2 422.485 1.942 20 0 HDADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCCc4ccccc4C3)C2=O)c1 ZINC000730265570 1076507079 /nfs/dbraw/zinc/50/70/79/1076507079.db2.gz WVLHMSUZJRXDCP-HSZRJFAPSA-N 1 2 422.485 1.942 20 0 HDADLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC000730285204 1076513738 /nfs/dbraw/zinc/51/37/38/1076513738.db2.gz XAYAAGWYQGTGPI-UHFFFAOYSA-N 1 2 423.517 1.774 20 0 HDADLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000730532364 1076591600 /nfs/dbraw/zinc/59/16/00/1076591600.db2.gz DTPNCPXACFKMIB-UHFFFAOYSA-N 1 2 422.411 1.680 20 0 HDADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730570321 1076604990 /nfs/dbraw/zinc/60/49/90/1076604990.db2.gz HTUQGBWWAUSQJH-INIZCTEOSA-N 1 2 411.959 1.898 20 0 HDADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730570321 1076604997 /nfs/dbraw/zinc/60/49/97/1076604997.db2.gz HTUQGBWWAUSQJH-INIZCTEOSA-N 1 2 411.959 1.898 20 0 HDADLO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000730937059 1076697519 /nfs/dbraw/zinc/69/75/19/1076697519.db2.gz PRUXYARBPUEUIB-CQSZACIVSA-N 1 2 404.536 1.793 20 0 HDADLO CC[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000730937059 1076697521 /nfs/dbraw/zinc/69/75/21/1076697521.db2.gz PRUXYARBPUEUIB-CQSZACIVSA-N 1 2 404.536 1.793 20 0 HDADLO COCCN1CCN(C)C2(CCN(c3nc(NCC4CC4)c(C)c[nH+]3)CC2)C1=O ZINC001164636795 719266637 /nfs/dbraw/zinc/26/66/37/719266637.db2.gz KCSHZKIGEMCIPQ-UHFFFAOYSA-N 1 2 402.543 1.366 20 0 HDADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164636824 719268716 /nfs/dbraw/zinc/26/87/16/719268716.db2.gz XNCCGQJCNKBZSI-BQYQJAHWSA-N 1 2 416.522 1.417 20 0 HDADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164636824 719268717 /nfs/dbraw/zinc/26/87/17/719268717.db2.gz XNCCGQJCNKBZSI-BQYQJAHWSA-N 1 2 416.522 1.417 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164637974 719278208 /nfs/dbraw/zinc/27/82/08/719278208.db2.gz BUPHGFJHQYBUAC-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164637974 719278211 /nfs/dbraw/zinc/27/82/11/719278211.db2.gz BUPHGFJHQYBUAC-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN([C@@H](F)Oc3ccc(Cl)nn3)CC2)C1=O ZINC001164644536 719284823 /nfs/dbraw/zinc/28/48/23/719284823.db2.gz NLRVXFRKRJBHKQ-MRXNPFEDSA-N 1 2 401.870 1.017 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN([C@@H](F)Oc3ccc(Cl)nn3)CC2)C1=O ZINC001164644536 719284826 /nfs/dbraw/zinc/28/48/26/719284826.db2.gz NLRVXFRKRJBHKQ-MRXNPFEDSA-N 1 2 401.870 1.017 20 0 HDADLO NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671166 719504812 /nfs/dbraw/zinc/50/48/12/719504812.db2.gz BVNCJDKCOIZACU-UHFFFAOYSA-N 1 2 420.510 1.740 20 0 HDADLO NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671166 719504815 /nfs/dbraw/zinc/50/48/15/719504815.db2.gz BVNCJDKCOIZACU-UHFFFAOYSA-N 1 2 420.510 1.740 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(N2CCCC2)n1 ZINC001164705294 719837481 /nfs/dbraw/zinc/83/74/81/719837481.db2.gz UTAPOHSHUAMPFZ-DYESRHJHSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)c1cc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164698690 719840088 /nfs/dbraw/zinc/84/00/88/719840088.db2.gz HAWRKNNCPUDPTF-XIKOKIGWSA-N 1 2 412.874 1.149 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCC2)nc(C)n1 ZINC001164705281 719842012 /nfs/dbraw/zinc/84/20/12/719842012.db2.gz USJHSYWSOJGZCQ-LAUBAEHRSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2[nH]c(C)nc21 ZINC001164706746 719848698 /nfs/dbraw/zinc/84/86/98/719848698.db2.gz YJSHULWCSVCAOK-KPZWWZAWSA-N 1 2 408.890 1.547 20 0 HDADLO CCOC(=O)c1c(C)ncnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706759 719855763 /nfs/dbraw/zinc/85/57/63/719855763.db2.gz YRXRJSUGYGSESD-YWZLYKJASA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(Cl)cnc21 ZINC001164706678 719858597 /nfs/dbraw/zinc/85/85/97/719858597.db2.gz YLJHUZBXKPRIKS-KUHUBIRLSA-N 1 2 405.886 1.911 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NC(C)(C)C)ccn1 ZINC001164707027 719862520 /nfs/dbraw/zinc/86/25/20/719862520.db2.gz ZXFFSDPZSOXQJS-JTSKRJEESA-N 1 2 418.538 1.843 20 0 HDADLO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707781 719863366 /nfs/dbraw/zinc/86/33/66/719863366.db2.gz VILQFQXYXBUTGW-WHBFPRCOSA-N 1 2 417.506 1.809 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)cnc21 ZINC001164701709 719864402 /nfs/dbraw/zinc/86/44/02/719864402.db2.gz GWXVQAOIKVRGTN-XOBRGWDASA-N 1 2 401.467 1.266 20 0 HDADLO CCOCc1cnc(Cl)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164699257 719864584 /nfs/dbraw/zinc/86/45/84/719864584.db2.gz BJLBTBVEOOSDPP-DNVCBOLYSA-N 1 2 412.918 1.899 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(C)no2)ccn1 ZINC001164706225 719870182 /nfs/dbraw/zinc/87/01/82/719870182.db2.gz PDDSNCUVRTZRFI-OXJNMPFZSA-N 1 2 401.467 1.673 20 0 HDADLO CCOC(=O)c1cnc(CC)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701712 719875750 /nfs/dbraw/zinc/87/57/50/719875750.db2.gz GXJYOJWNARENRA-VFNWGFHPSA-N 1 2 420.510 1.448 20 0 HDADLO Cc1nc2cc(F)ccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164702306 720047392 /nfs/dbraw/zinc/04/73/92/720047392.db2.gz FABVMJFVAVASHP-UHFFFAOYSA-N 1 2 423.496 1.761 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718678 720232924 /nfs/dbraw/zinc/23/29/24/720232924.db2.gz GTTZBDXPAFPNSD-KRWDZBQOSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718678 720232935 /nfs/dbraw/zinc/23/29/35/720232935.db2.gz GTTZBDXPAFPNSD-KRWDZBQOSA-N 1 2 418.872 1.825 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718661 720247870 /nfs/dbraw/zinc/24/78/70/720247870.db2.gz GJIAZKJHJIEIRB-MSOLQXFVSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718661 720247882 /nfs/dbraw/zinc/24/78/82/720247882.db2.gz GJIAZKJHJIEIRB-MSOLQXFVSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718666 720251625 /nfs/dbraw/zinc/25/16/25/720251625.db2.gz GJIAZKJHJIEIRB-ZWKOTPCHSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164718666 720251640 /nfs/dbraw/zinc/25/16/40/720251640.db2.gz GJIAZKJHJIEIRB-ZWKOTPCHSA-N 1 2 400.882 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nccnc3Cl)C2)C1 ZINC001164721595 720278303 /nfs/dbraw/zinc/27/83/03/720278303.db2.gz LOWGHCPLSDZVMM-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nccnc3Cl)C2)C1 ZINC001164721595 720278312 /nfs/dbraw/zinc/27/83/12/720278312.db2.gz LOWGHCPLSDZVMM-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO COc1cc(Cl)ncc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164827075 720444173 /nfs/dbraw/zinc/44/41/73/720444173.db2.gz YVTNOPSWKZGQDZ-OAHLLOKOSA-N 1 2 421.929 1.930 20 0 HDADLO COc1cc(OC)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164824145 720451398 /nfs/dbraw/zinc/45/13/98/720451398.db2.gz MTHVYDOZJDZFKA-INIZCTEOSA-N 1 2 417.510 1.285 20 0 HDADLO COc1cnnc(Cl)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164823401 720451582 /nfs/dbraw/zinc/45/15/82/720451582.db2.gz JDMGZCKDWJVJOC-AWEZNQCLSA-N 1 2 422.917 1.325 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)cc1F)C2 ZINC001164822811 720452862 /nfs/dbraw/zinc/45/28/62/720452862.db2.gz IIPNYBZJVOLCPH-ZDUSSCGKSA-N 1 2 410.881 1.455 20 0 HDADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)cc1F)C2 ZINC001164822810 720453205 /nfs/dbraw/zinc/45/32/05/720453205.db2.gz IIPNYBZJVOLCPH-CYBMUJFWSA-N 1 2 410.881 1.455 20 0 HDADLO Cc1cc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2[nH]1 ZINC001164829930 720458820 /nfs/dbraw/zinc/45/88/20/720458820.db2.gz IAVCIIKBWVJVLD-MRXNPFEDSA-N 1 2 411.510 1.452 20 0 HDADLO CSc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164828915 720471134 /nfs/dbraw/zinc/47/11/34/720471134.db2.gz CINYCMFWGXGQKY-INIZCTEOSA-N 1 2 403.552 1.990 20 0 HDADLO CC(C)Oc1cncc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829254 720472887 /nfs/dbraw/zinc/47/28/87/720472887.db2.gz DVEXPERRFPGZOD-KRWDZBQOSA-N 1 2 416.526 1.450 20 0 HDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870433 721041953 /nfs/dbraw/zinc/04/19/53/721041953.db2.gz VSLDREQCNRHMAK-LSDHHAIUSA-N 1 2 423.926 1.408 20 0 HDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870433 721041958 /nfs/dbraw/zinc/04/19/58/721041958.db2.gz VSLDREQCNRHMAK-LSDHHAIUSA-N 1 2 423.926 1.408 20 0 HDADLO COCCN1C[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1=O ZINC001164902686 721572869 /nfs/dbraw/zinc/57/28/69/721572869.db2.gz LFGXBMNYHBMOHP-MOPGFXCFSA-N 1 2 407.518 1.576 20 0 HDADLO COCCN1C[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1=O ZINC001164902686 721572871 /nfs/dbraw/zinc/57/28/71/721572871.db2.gz LFGXBMNYHBMOHP-MOPGFXCFSA-N 1 2 407.518 1.576 20 0 HDADLO COC(=O)c1nc2cnccc2c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165008547 721707503 /nfs/dbraw/zinc/70/75/03/721707503.db2.gz GTZUSHJPWMRTLF-UHFFFAOYSA-N 1 2 410.482 1.653 20 0 HDADLO COC(=O)c1nc2cnccc2c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165008547 721707512 /nfs/dbraw/zinc/70/75/12/721707512.db2.gz GTZUSHJPWMRTLF-UHFFFAOYSA-N 1 2 410.482 1.653 20 0 HDADLO COC(=O)c1cc(F)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913589 721769904 /nfs/dbraw/zinc/76/99/04/721769904.db2.gz XZXWVCTWLITAFR-OAQYLSRUSA-N 1 2 416.453 1.510 20 0 HDADLO COC(=O)c1cc(F)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913589 721769905 /nfs/dbraw/zinc/76/99/05/721769905.db2.gz XZXWVCTWLITAFR-OAQYLSRUSA-N 1 2 416.453 1.510 20 0 HDADLO NC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913655 721771013 /nfs/dbraw/zinc/77/10/13/721771013.db2.gz ZPQZSUNXFJYENC-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913655 721771019 /nfs/dbraw/zinc/77/10/19/721771019.db2.gz ZPQZSUNXFJYENC-HXUWFJFHSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911266 721771294 /nfs/dbraw/zinc/77/12/94/721771294.db2.gz GAQWANOHVKJDKU-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO NC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1Cl ZINC001164911266 721771295 /nfs/dbraw/zinc/77/12/95/721771295.db2.gz GAQWANOHVKJDKU-FQEVSTJZSA-N 1 2 417.897 1.337 20 0 HDADLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164912926 721776144 /nfs/dbraw/zinc/77/61/44/721776144.db2.gz RZNMSRJMPDOZJO-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO COC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164912926 721776146 /nfs/dbraw/zinc/77/61/46/721776146.db2.gz RZNMSRJMPDOZJO-QFIPXVFZSA-N 1 2 412.490 1.679 20 0 HDADLO CN(C)C(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164911116 721778732 /nfs/dbraw/zinc/77/87/32/721778732.db2.gz FHJRWVFLYTXZMR-JOCHJYFZSA-N 1 2 411.506 1.286 20 0 HDADLO CN(C)C(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164911116 721778735 /nfs/dbraw/zinc/77/87/35/721778735.db2.gz FHJRWVFLYTXZMR-JOCHJYFZSA-N 1 2 411.506 1.286 20 0 HDADLO COc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(SC)n1 ZINC001164915177 721782444 /nfs/dbraw/zinc/78/24/44/721782444.db2.gz JKUJCWGHZBMLKH-HXUWFJFHSA-N 1 2 417.535 1.710 20 0 HDADLO COc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(SC)n1 ZINC001164915177 721782445 /nfs/dbraw/zinc/78/24/45/721782445.db2.gz JKUJCWGHZBMLKH-HXUWFJFHSA-N 1 2 417.535 1.710 20 0 HDADLO C=C(OCC)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164917036 721782974 /nfs/dbraw/zinc/78/29/74/721782974.db2.gz WCGXQOGUAPXADC-QFIPXVFZSA-N 1 2 411.506 1.987 20 0 HDADLO C=C(OCC)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164917036 721782976 /nfs/dbraw/zinc/78/29/76/721782976.db2.gz WCGXQOGUAPXADC-QFIPXVFZSA-N 1 2 411.506 1.987 20 0 HDADLO NC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945755 721969718 /nfs/dbraw/zinc/96/97/18/721969718.db2.gz RPEANXDBSRKVBT-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO NC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945755 721969722 /nfs/dbraw/zinc/96/97/22/721969722.db2.gz RPEANXDBSRKVBT-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946833 721971906 /nfs/dbraw/zinc/97/19/06/721971906.db2.gz WQLFRNMIIMWLEO-UHFFFAOYSA-N 1 2 424.501 1.848 20 0 HDADLO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946833 721971908 /nfs/dbraw/zinc/97/19/08/721971908.db2.gz WQLFRNMIIMWLEO-UHFFFAOYSA-N 1 2 424.501 1.848 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974056 722108725 /nfs/dbraw/zinc/10/87/25/722108725.db2.gz IJUHATLHRQVVAU-MSOLQXFVSA-N 1 2 402.520 1.607 20 0 HDADLO CS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974056 722108726 /nfs/dbraw/zinc/10/87/26/722108726.db2.gz IJUHATLHRQVVAU-MSOLQXFVSA-N 1 2 402.520 1.607 20 0 HDADLO CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429040545 1073459027 /nfs/dbraw/zinc/45/90/27/1073459027.db2.gz INVXKQJNIUYWHM-MOPGFXCFSA-N 1 2 409.552 1.496 20 0 HDADLO CCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429040545 1073459039 /nfs/dbraw/zinc/45/90/39/1073459039.db2.gz INVXKQJNIUYWHM-MOPGFXCFSA-N 1 2 409.552 1.496 20 0 HDADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000509072215 1073461640 /nfs/dbraw/zinc/46/16/40/1073461640.db2.gz SLZVPPUNJAFZCF-UHFFFAOYSA-N 1 2 403.450 1.238 20 0 HDADLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(I)c(F)cc1F ZINC001299281957 1073511637 /nfs/dbraw/zinc/51/16/37/1073511637.db2.gz VEDONJIQSAYXHC-SECBINFHSA-N 1 2 410.202 1.708 20 0 HDADLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(I)c(F)cc1F ZINC001299281957 1073511642 /nfs/dbraw/zinc/51/16/42/1073511642.db2.gz VEDONJIQSAYXHC-SECBINFHSA-N 1 2 410.202 1.708 20 0 HDADLO CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000429088403 1073539411 /nfs/dbraw/zinc/53/94/11/1073539411.db2.gz SLQDESCXXIJXGI-BEFAXECRSA-N 1 2 408.572 1.744 20 0 HDADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccncc1OCc1ccccc1 ZINC000509109328 1073549767 /nfs/dbraw/zinc/54/97/67/1073549767.db2.gz JMMHGRRERBKQBP-UHFFFAOYSA-N 1 2 405.520 1.802 20 0 HDADLO C[C@@H](C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001128519231 1073569318 /nfs/dbraw/zinc/56/93/18/1073569318.db2.gz NXBCOHYDJMFECD-DOTOQJQBSA-N 1 2 418.494 1.529 20 0 HDADLO O=C(NCCOCC(F)(F)C(F)F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000429105598 1073591546 /nfs/dbraw/zinc/59/15/46/1073591546.db2.gz SBUWUNOSTWSGAG-AWEZNQCLSA-N 1 2 403.442 1.411 20 0 HDADLO COC(=O)C[C@](C)([NH2+]CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)c1ccccn1 ZINC000509120220 1073595073 /nfs/dbraw/zinc/59/50/73/1073595073.db2.gz DKVDQPWWRCDUMI-QFIPXVFZSA-N 1 2 412.490 1.855 20 0 HDADLO O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673659009 1073611283 /nfs/dbraw/zinc/61/12/83/1073611283.db2.gz GJSQUGVADJYWIO-APWZRJJASA-N 1 2 422.489 1.596 20 0 HDADLO Cc1noc(C(F)F)c1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000673668753 1073623267 /nfs/dbraw/zinc/62/32/67/1073623267.db2.gz IVKCPNPWZSXUQZ-CYBMUJFWSA-N 1 2 422.436 1.946 20 0 HDADLO Cc1noc(C(F)F)c1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000673668753 1073623270 /nfs/dbraw/zinc/62/32/70/1073623270.db2.gz IVKCPNPWZSXUQZ-CYBMUJFWSA-N 1 2 422.436 1.946 20 0 HDADLO Cc1[nH]nc(C(F)(F)F)c1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000673737109 1073669132 /nfs/dbraw/zinc/66/91/32/1073669132.db2.gz JXYCUOYXVKDOJZ-UHFFFAOYSA-N 1 2 410.400 1.601 20 0 HDADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CS(=O)(=O)CCO2)c(C)c1 ZINC000509129530 1073679364 /nfs/dbraw/zinc/67/93/64/1073679364.db2.gz XJGALVLJZUJLCY-FUHWJXTLSA-N 1 2 406.508 1.354 20 0 HDADLO CNC(=O)CC1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000673759818 1073700223 /nfs/dbraw/zinc/70/02/23/1073700223.db2.gz NFHYKWHXJPWWNH-UHFFFAOYSA-N 1 2 401.511 1.454 20 0 HDADLO CCCCn1c(C[N@@H+]2C[C@H](C)[C@H](O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000509139805 1073705189 /nfs/dbraw/zinc/70/51/89/1073705189.db2.gz RAFXVEKHVLBCJJ-DOTOQJQBSA-N 1 2 411.506 1.960 20 0 HDADLO CCCCn1c(C[N@H+]2C[C@H](C)[C@H](O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000509139805 1073705198 /nfs/dbraw/zinc/70/51/98/1073705198.db2.gz RAFXVEKHVLBCJJ-DOTOQJQBSA-N 1 2 411.506 1.960 20 0 HDADLO CCCCn1c(C[N@H+]2C[C@H](O)[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000509139810 1073705726 /nfs/dbraw/zinc/70/57/26/1073705726.db2.gz RAFXVEKHVLBCJJ-RDJZCZTQSA-N 1 2 411.506 1.960 20 0 HDADLO CCCCn1c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000509139810 1073705737 /nfs/dbraw/zinc/70/57/37/1073705737.db2.gz RAFXVEKHVLBCJJ-RDJZCZTQSA-N 1 2 411.506 1.960 20 0 HDADLO O=C(Nc1ccc(F)c(Br)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673782356 1073718401 /nfs/dbraw/zinc/71/84/01/1073718401.db2.gz BOYJVKPLAQRVCQ-ZDUSSCGKSA-N 1 2 414.275 1.850 20 0 HDADLO COCCOc1cc(C)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673782163 1073718795 /nfs/dbraw/zinc/71/87/95/1073718795.db2.gz OGBLONGWRCKSIZ-QGZVFWFLSA-N 1 2 405.495 1.282 20 0 HDADLO O=C(Nc1ccc(OCC(F)(F)F)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783333 1073721661 /nfs/dbraw/zinc/72/16/61/1073721661.db2.gz SUVBBFJZJKMZCT-MRXNPFEDSA-N 1 2 415.412 1.889 20 0 HDADLO O=C(Nc1cccc(Cl)c1-n1cccn1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783574 1073721731 /nfs/dbraw/zinc/72/17/31/1073721731.db2.gz FXNGILWOASYWTI-OAHLLOKOSA-N 1 2 417.897 1.787 20 0 HDADLO CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673784085 1073724766 /nfs/dbraw/zinc/72/47/66/1073724766.db2.gz WGOLBUQNAGMSKZ-GOSISDBHSA-N 1 2 402.495 1.087 20 0 HDADLO O=C(Nc1ccc(-n2cccn2)c(F)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673784279 1073724943 /nfs/dbraw/zinc/72/49/43/1073724943.db2.gz YQSRJACWKSBONX-INIZCTEOSA-N 1 2 401.442 1.273 20 0 HDADLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785068 1073730009 /nfs/dbraw/zinc/73/00/09/1073730009.db2.gz NKGJCKLZDOMGQN-GOSISDBHSA-N 1 2 414.506 1.605 20 0 HDADLO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785782 1073730653 /nfs/dbraw/zinc/73/06/53/1073730653.db2.gz ZJNLBTCQNHOWIA-GFCCVEGCSA-N 1 2 402.373 1.068 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000509148977 1073748986 /nfs/dbraw/zinc/74/89/86/1073748986.db2.gz CGEJOMFHTFECNP-UHFFFAOYSA-N 1 2 406.508 1.963 20 0 HDADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCCN1c1ncccn1 ZINC000673816374 1073760681 /nfs/dbraw/zinc/76/06/81/1073760681.db2.gz CITHUFMLBCXDSQ-HXUWFJFHSA-N 1 2 411.506 1.473 20 0 HDADLO CC(C)(C)CC(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000673872663 1073837344 /nfs/dbraw/zinc/83/73/44/1073837344.db2.gz SXBJXGLYQVPFNB-UHFFFAOYSA-N 1 2 406.531 1.328 20 0 HDADLO C[C@](CO)(CNC(=O)N=c1ccn(CC[NH+]2CCOCC2)[nH]1)Cc1ccccc1 ZINC000483766509 1073844625 /nfs/dbraw/zinc/84/46/25/1073844625.db2.gz ZRAUHCHIPZFNCH-OAQYLSRUSA-N 1 2 401.511 1.000 20 0 HDADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 ZINC000673881089 1073853354 /nfs/dbraw/zinc/85/33/54/1073853354.db2.gz XHZJBTFCFDMOPU-RBUKOAKNSA-N 1 2 411.506 1.783 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766040909 1073873516 /nfs/dbraw/zinc/87/35/16/1073873516.db2.gz XERKQTVXYMZRSM-INIZCTEOSA-N 1 2 405.561 1.418 20 0 HDADLO COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)c1 ZINC000673913424 1073880911 /nfs/dbraw/zinc/88/09/11/1073880911.db2.gz JZLVEQFWRXUGQD-RTWAWAEBSA-N 1 2 424.501 1.985 20 0 HDADLO COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2=O)c1 ZINC000673913424 1073880925 /nfs/dbraw/zinc/88/09/25/1073880925.db2.gz JZLVEQFWRXUGQD-RTWAWAEBSA-N 1 2 424.501 1.985 20 0 HDADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3n[nH]cc31)C2 ZINC001004858927 1073896718 /nfs/dbraw/zinc/89/67/18/1073896718.db2.gz SGWRGZHBUSKXCI-RVTLPWGWSA-N 1 2 404.474 1.962 20 0 HDADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCC(=O)N1C1CC1 ZINC000509184855 1073972764 /nfs/dbraw/zinc/97/27/64/1073972764.db2.gz NCPVAKDUBSVABG-CRAIPNDOSA-N 1 2 406.450 1.681 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)s[nH]2)c1 ZINC000543523596 1073997863 /nfs/dbraw/zinc/99/78/63/1073997863.db2.gz HFYYQXXMUASTDN-CQSZACIVSA-N 1 2 401.492 1.271 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1C ZINC000543526123 1074006215 /nfs/dbraw/zinc/00/62/15/1074006215.db2.gz LQLJHHLEASETGO-UHFFFAOYSA-N 1 2 405.476 1.708 20 0 HDADLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000543542162 1074049706 /nfs/dbraw/zinc/04/97/06/1074049706.db2.gz DMQAPBVXUBWRQB-CQSZACIVSA-N 1 2 424.548 1.762 20 0 HDADLO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N3CCN(C(C)=O)CC3)n2)c1 ZINC000543544480 1074056603 /nfs/dbraw/zinc/05/66/03/1074056603.db2.gz PZYUXNYXNKAOQP-KBPBESRZSA-N 1 2 401.467 1.475 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000509198480 1074066396 /nfs/dbraw/zinc/06/63/96/1074066396.db2.gz SZTAPIKHCQSUFF-GJZGRUSLSA-N 1 2 403.570 1.430 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000509198480 1074066406 /nfs/dbraw/zinc/06/64/06/1074066406.db2.gz SZTAPIKHCQSUFF-GJZGRUSLSA-N 1 2 403.570 1.430 20 0 HDADLO CCOc1nc2cc(C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2[nH]1 ZINC001626094219 1074080807 /nfs/dbraw/zinc/08/08/07/1074080807.db2.gz VTRPNHZUZGDSIJ-UHFFFAOYSA-N 1 2 422.489 1.825 20 0 HDADLO CN(CCCNC(=O)C[NH+]1CCC(c2ncccc2Cl)CC1)S(C)(=O)=O ZINC000429207962 1074116271 /nfs/dbraw/zinc/11/62/71/1074116271.db2.gz KENRSDHOAINFGZ-UHFFFAOYSA-N 1 2 402.948 1.312 20 0 HDADLO COCCN1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214384 1074156680 /nfs/dbraw/zinc/15/66/80/1074156680.db2.gz ZSXSYQOSEYLIKC-WMZOPIPTSA-N 1 2 412.893 1.725 20 0 HDADLO COCCN1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214384 1074156684 /nfs/dbraw/zinc/15/66/84/1074156684.db2.gz ZSXSYQOSEYLIKC-WMZOPIPTSA-N 1 2 412.893 1.725 20 0 HDADLO COc1ccc(-c2cc(C(=O)N(C)[C@H](C)C[NH+]3CCOCC3)nn2C)cc1OC ZINC001128643443 1074201068 /nfs/dbraw/zinc/20/10/68/1074201068.db2.gz WCGHGPORMDDEAT-OAHLLOKOSA-N 1 2 402.495 1.897 20 0 HDADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000674193859 1074207587 /nfs/dbraw/zinc/20/75/87/1074207587.db2.gz GFFBXGKMJCGASN-UHFFFAOYSA-N 1 2 418.461 1.614 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1 ZINC000674196496 1074211573 /nfs/dbraw/zinc/21/15/73/1074211573.db2.gz ZLWPEMKFTVGGJF-UHFFFAOYSA-N 1 2 406.502 1.935 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000674201731 1074217163 /nfs/dbraw/zinc/21/71/63/1074217163.db2.gz CSHFYIWJNQJITQ-CYBMUJFWSA-N 1 2 423.470 1.075 20 0 HDADLO COc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1N1CCCC1=O ZINC000674202787 1074217635 /nfs/dbraw/zinc/21/76/35/1074217635.db2.gz FOGVDTUJTURVME-MRXNPFEDSA-N 1 2 411.462 1.821 20 0 HDADLO COc1cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1N1CCCC1=O ZINC000674202786 1074218092 /nfs/dbraw/zinc/21/80/92/1074218092.db2.gz FOGVDTUJTURVME-INIZCTEOSA-N 1 2 411.462 1.821 20 0 HDADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000674202480 1074218550 /nfs/dbraw/zinc/21/85/50/1074218550.db2.gz VQTLACOEAUCLNX-LLVKDONJSA-N 1 2 409.355 1.804 20 0 HDADLO COCCOc1cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000674202267 1074218595 /nfs/dbraw/zinc/21/85/95/1074218595.db2.gz QHNSIOQOTUMMOI-INIZCTEOSA-N 1 2 402.451 1.719 20 0 HDADLO O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674204852 1074219240 /nfs/dbraw/zinc/21/92/40/1074219240.db2.gz VPZOOPYXJFSAAH-OAHLLOKOSA-N 1 2 423.395 1.977 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCc3c2cccc3O)CC1 ZINC000674203329 1074219487 /nfs/dbraw/zinc/21/94/87/1074219487.db2.gz JPTVLRLKLBTLCB-LJQANCHMSA-N 1 2 422.485 1.522 20 0 HDADLO CSc1ccncc1NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000674266441 1074248467 /nfs/dbraw/zinc/24/84/67/1074248467.db2.gz FWNUZWLPWVHCPQ-MRXNPFEDSA-N 1 2 400.504 1.759 20 0 HDADLO CSc1ccncc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000674266441 1074248473 /nfs/dbraw/zinc/24/84/73/1074248473.db2.gz FWNUZWLPWVHCPQ-MRXNPFEDSA-N 1 2 400.504 1.759 20 0 HDADLO COCCNC(=O)CN1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000674275486 1074254778 /nfs/dbraw/zinc/25/47/78/1074254778.db2.gz KDZZJTILNULDSM-AWEZNQCLSA-N 1 2 420.337 1.113 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000674367863 1074297118 /nfs/dbraw/zinc/29/71/18/1074297118.db2.gz AVBZBHHUZSLEHQ-DLBZAZTESA-N 1 2 418.563 1.664 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000674367864 1074297129 /nfs/dbraw/zinc/29/71/29/1074297129.db2.gz AVBZBHHUZSLEHQ-IAGOWNOFSA-N 1 2 418.563 1.664 20 0 HDADLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)c(Br)c1 ZINC000674396757 1074310275 /nfs/dbraw/zinc/31/02/75/1074310275.db2.gz BDQLODPTVJOHEQ-TZMCWYRMSA-N 1 2 418.307 1.984 20 0 HDADLO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1=O ZINC000674421395 1074324006 /nfs/dbraw/zinc/32/40/06/1074324006.db2.gz WRJVPORYSSFWBE-BFUOFWGJSA-N 1 2 420.539 1.971 20 0 HDADLO CC(C)(CNC(=O)CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000674463654 1074355819 /nfs/dbraw/zinc/35/58/19/1074355819.db2.gz RFILDTOFTFSLIY-VXGBXAGGSA-N 1 2 405.383 1.886 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CCN2C1=O ZINC000674469192 1074367413 /nfs/dbraw/zinc/36/74/13/1074367413.db2.gz XKAPKXUKLGRUSX-LJQANCHMSA-N 1 2 410.474 1.777 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CCN2C1=O ZINC000674469192 1074367419 /nfs/dbraw/zinc/36/74/19/1074367419.db2.gz XKAPKXUKLGRUSX-LJQANCHMSA-N 1 2 410.474 1.777 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CCN2C1=O ZINC000674470155 1074367951 /nfs/dbraw/zinc/36/79/51/1074367951.db2.gz PXRSARDTEYEJMK-BLLLJJGKSA-N 1 2 410.877 1.794 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CCN2C1=O ZINC000674470155 1074367960 /nfs/dbraw/zinc/36/79/60/1074367960.db2.gz PXRSARDTEYEJMK-BLLLJJGKSA-N 1 2 410.877 1.794 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000674470440 1074369422 /nfs/dbraw/zinc/36/94/22/1074369422.db2.gz WRIGHMVCANYFAH-OAHLLOKOSA-N 1 2 410.421 1.215 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000674470440 1074369428 /nfs/dbraw/zinc/36/94/28/1074369428.db2.gz WRIGHMVCANYFAH-OAHLLOKOSA-N 1 2 410.421 1.215 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000674470439 1074369624 /nfs/dbraw/zinc/36/96/24/1074369624.db2.gz WRIGHMVCANYFAH-HNNXBMFYSA-N 1 2 410.421 1.215 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CCN2C1=O ZINC000674470439 1074369631 /nfs/dbraw/zinc/36/96/31/1074369631.db2.gz WRIGHMVCANYFAH-HNNXBMFYSA-N 1 2 410.421 1.215 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3(CO)CCCCC3)cc2)CC1 ZINC000674484779 1074389393 /nfs/dbraw/zinc/38/93/93/1074389393.db2.gz MXVHMEFMOQBPDC-UHFFFAOYSA-N 1 2 416.566 1.822 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674500780 1074394962 /nfs/dbraw/zinc/39/49/62/1074394962.db2.gz GBFMFQMVLIBKME-FZMZJTMJSA-N 1 2 409.284 1.744 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000674500780 1074394974 /nfs/dbraw/zinc/39/49/74/1074394974.db2.gz GBFMFQMVLIBKME-FZMZJTMJSA-N 1 2 409.284 1.744 20 0 HDADLO O=C(CCNS(=O)(=O)c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000039496401 1074452091 /nfs/dbraw/zinc/45/20/91/1074452091.db2.gz ODQONYFVENQGDO-UHFFFAOYSA-N 1 2 417.531 1.578 20 0 HDADLO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000674690294 1074530046 /nfs/dbraw/zinc/53/00/46/1074530046.db2.gz QLFTYXOCMNDIJG-ROUUACIJSA-N 1 2 406.552 1.162 20 0 HDADLO CCOc1ccc(C[NH+]2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)nc1 ZINC000674864276 1074595642 /nfs/dbraw/zinc/59/56/42/1074595642.db2.gz CRMZNWHPQUJZCH-UHFFFAOYSA-N 1 2 418.563 1.885 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCO[C@@H]([C@@H]4CCCO4)C3)CC2)cc1 ZINC000674911491 1074616715 /nfs/dbraw/zinc/61/67/15/1074616715.db2.gz GHOTVAPRWMBCRQ-LEWJYISDSA-N 1 2 403.523 1.219 20 0 HDADLO Cc1c[nH+]c(N2CCO[C@H]([C@@H]3CCCO3)C2)nc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674935337 1074637311 /nfs/dbraw/zinc/63/73/11/1074637311.db2.gz PPELYAOCRRIHIN-OKYOBFRVSA-N 1 2 404.511 1.553 20 0 HDADLO CC(C)c1nnc2c(N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)nccn21 ZINC000489559499 1074695402 /nfs/dbraw/zinc/69/54/02/1074695402.db2.gz KUWVSSFEYIQADY-MRXNPFEDSA-N 1 2 423.525 1.955 20 0 HDADLO CC(C)c1nnc2c(N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)nccn21 ZINC000489559499 1074695409 /nfs/dbraw/zinc/69/54/09/1074695409.db2.gz KUWVSSFEYIQADY-MRXNPFEDSA-N 1 2 423.525 1.955 20 0 HDADLO CC(C)n1cc(S(=O)(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000509238644 1074698258 /nfs/dbraw/zinc/69/82/58/1074698258.db2.gz XFWRQWBGTSMMFX-MRXNPFEDSA-N 1 2 405.524 1.962 20 0 HDADLO CC(C)n1cc(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000509238644 1074698261 /nfs/dbraw/zinc/69/82/61/1074698261.db2.gz XFWRQWBGTSMMFX-MRXNPFEDSA-N 1 2 405.524 1.962 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CC(OCc3ccccc3)C2)CC1 ZINC000766088906 1074700418 /nfs/dbraw/zinc/70/04/18/1074700418.db2.gz LXGOQYXPSHFPSU-UHFFFAOYSA-N 1 2 409.552 1.542 20 0 HDADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1=O ZINC000675126452 1074732091 /nfs/dbraw/zinc/73/20/91/1074732091.db2.gz IKSGLTWYUDPSDC-MSOLQXFVSA-N 1 2 422.485 1.220 20 0 HDADLO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1=O ZINC000675126452 1074732097 /nfs/dbraw/zinc/73/20/97/1074732097.db2.gz IKSGLTWYUDPSDC-MSOLQXFVSA-N 1 2 422.485 1.220 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3nnc(C(C)(C)C)s3)ccn2)CC1 ZINC000543616023 1074749124 /nfs/dbraw/zinc/74/91/24/1074749124.db2.gz BSPKCWCMEBDKBJ-UHFFFAOYSA-N 1 2 417.539 1.940 20 0 HDADLO COC(=O)Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000499894218 1074752988 /nfs/dbraw/zinc/75/29/88/1074752988.db2.gz FGMSMPLGZUVBGG-QAPCUYQASA-N 1 2 421.885 1.903 20 0 HDADLO COC(=O)Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000499894218 1074752997 /nfs/dbraw/zinc/75/29/97/1074752997.db2.gz FGMSMPLGZUVBGG-QAPCUYQASA-N 1 2 421.885 1.903 20 0 HDADLO COc1ccc(-n2cnnc2SCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675218961 1074760218 /nfs/dbraw/zinc/76/02/18/1074760218.db2.gz OLAXHULCHLUKST-MRXNPFEDSA-N 1 2 403.508 1.301 20 0 HDADLO CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219405 1074762197 /nfs/dbraw/zinc/76/21/97/1074762197.db2.gz UIGMANZXPAXSGH-YJBOKZPZSA-N 1 2 413.515 1.062 20 0 HDADLO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219475 1074762634 /nfs/dbraw/zinc/76/26/34/1074762634.db2.gz CBPFZQFBIZPLJK-DLBZAZTESA-N 1 2 422.323 1.735 20 0 HDADLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C1CCN(CC(F)(F)F)CC1 ZINC000509239274 1074767827 /nfs/dbraw/zinc/76/78/27/1074767827.db2.gz YSWFJVPQGAHNPN-AWEZNQCLSA-N 1 2 401.495 1.291 20 0 HDADLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1-c1ccccc1 ZINC000536754051 1074768923 /nfs/dbraw/zinc/76/89/23/1074768923.db2.gz FTDXUBVTUKRYQM-MOPGFXCFSA-N 1 2 411.506 1.879 20 0 HDADLO COC(=O)[C@@H]1CCO[C@H]1C1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000564024639 1074774928 /nfs/dbraw/zinc/77/49/28/1074774928.db2.gz TVSPVVFRHRPVFV-AEFFLSMTSA-N 1 2 400.479 1.829 20 0 HDADLO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc21 ZINC000675267619 1074776991 /nfs/dbraw/zinc/77/69/91/1074776991.db2.gz WBIVNURHGFIXSI-DNVCBOLYSA-N 1 2 410.478 1.927 20 0 HDADLO CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000522830707 1074780923 /nfs/dbraw/zinc/78/09/23/1074780923.db2.gz RSNKDJIPZHYIIB-UHFFFAOYSA-N 1 2 420.558 1.764 20 0 HDADLO O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280894 1074785246 /nfs/dbraw/zinc/78/52/46/1074785246.db2.gz MWYRCUNNZBDCCQ-QGZVFWFLSA-N 1 2 419.503 1.305 20 0 HDADLO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000675281461 1074786406 /nfs/dbraw/zinc/78/64/06/1074786406.db2.gz RLZSGCCAHMRSAV-UYAOXDASSA-N 1 2 403.498 1.540 20 0 HDADLO O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675291514 1074788020 /nfs/dbraw/zinc/78/80/20/1074788020.db2.gz AIDXVGJOGHCAEO-ZWKOTPCHSA-N 1 2 413.453 1.103 20 0 HDADLO O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675291510 1074788139 /nfs/dbraw/zinc/78/81/39/1074788139.db2.gz AIDXVGJOGHCAEO-MSOLQXFVSA-N 1 2 413.453 1.103 20 0 HDADLO O=C(NCc1ccc2c(c1)OCCCO2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438345585 1074809956 /nfs/dbraw/zinc/80/99/56/1074809956.db2.gz IHKZLBDOBQZHLM-UHFFFAOYSA-N 1 2 401.467 1.698 20 0 HDADLO O=C(NCc1ccccc1Cn1cccn1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000524034168 1074815971 /nfs/dbraw/zinc/81/59/71/1074815971.db2.gz LXXWCGAMVGNFGY-UHFFFAOYSA-N 1 2 409.494 1.782 20 0 HDADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000523049137 1074819049 /nfs/dbraw/zinc/81/90/49/1074819049.db2.gz OYIVLEJNCSUVNZ-UHFFFAOYSA-N 1 2 419.489 1.967 20 0 HDADLO O=C(Nc1ccccc1O[C@@H]1CCOC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675397087 1075125591 /nfs/dbraw/zinc/12/55/91/1075125591.db2.gz KJRBRDODRJTUOA-IAGOWNOFSA-N 1 2 403.479 1.116 20 0 HDADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cccc(O)c3)cc2)CC1 ZINC000509333476 1075140948 /nfs/dbraw/zinc/14/09/48/1075140948.db2.gz FQCCIWZEUYZLAA-UHFFFAOYSA-N 1 2 411.502 1.908 20 0 HDADLO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000429345032 1075145799 /nfs/dbraw/zinc/14/57/99/1075145799.db2.gz BFTPLQFUJGHVNM-JSGCOSHPSA-N 1 2 417.441 1.840 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000483700191 1075148329 /nfs/dbraw/zinc/14/83/29/1075148329.db2.gz OWVCACCSEGAIDX-SJLPKXTDSA-N 1 2 421.448 1.698 20 0 HDADLO COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000483700191 1075148333 /nfs/dbraw/zinc/14/83/33/1075148333.db2.gz OWVCACCSEGAIDX-SJLPKXTDSA-N 1 2 421.448 1.698 20 0 HDADLO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000550743424 1075149350 /nfs/dbraw/zinc/14/93/50/1075149350.db2.gz QQFRQEDYIAIHCZ-UHFFFAOYSA-N 1 2 418.295 1.880 20 0 HDADLO COC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675466344 1075161093 /nfs/dbraw/zinc/16/10/93/1075161093.db2.gz ODVKPEPGEZOPKW-MSOLQXFVSA-N 1 2 409.914 1.467 20 0 HDADLO C[C@H](F)CC[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000509249141 1075163726 /nfs/dbraw/zinc/16/37/26/1075163726.db2.gz STJHHZVTMIFWQR-NSHDSACASA-N 1 2 405.879 1.725 20 0 HDADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000509344713 1075179041 /nfs/dbraw/zinc/17/90/41/1075179041.db2.gz OUWGPNNLVJLBEG-MRXNPFEDSA-N 1 2 401.454 1.457 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000547995533 1075187298 /nfs/dbraw/zinc/18/72/98/1075187298.db2.gz JLEACUWOLYLDQT-GOSISDBHSA-N 1 2 421.448 2.099 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000558765332 1075187789 /nfs/dbraw/zinc/18/77/89/1075187789.db2.gz PGAUZOGOPWJFMD-FQEVSTJZSA-N 1 2 405.449 2.457 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000483552001 1075187797 /nfs/dbraw/zinc/18/77/97/1075187797.db2.gz AJPGBCWZZISNRP-UHFFFAOYSA-N 1 2 421.505 1.991 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000443599839 1075188991 /nfs/dbraw/zinc/18/89/91/1075188991.db2.gz BTMOKXKPVADINS-GOSISDBHSA-N 1 2 418.542 1.661 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000467474231 1075189073 /nfs/dbraw/zinc/18/90/73/1075189073.db2.gz AMRJVLXQAIEPID-HNNXBMFYSA-N 1 2 419.917 1.664 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000429359805 1075200428 /nfs/dbraw/zinc/20/04/28/1075200428.db2.gz FBBZSLJQPLWCGQ-HXUWFJFHSA-N 1 2 413.474 1.531 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000429359805 1075200432 /nfs/dbraw/zinc/20/04/32/1075200432.db2.gz FBBZSLJQPLWCGQ-HXUWFJFHSA-N 1 2 413.474 1.531 20 0 HDADLO COCCn1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000441804787 1075207956 /nfs/dbraw/zinc/20/79/56/1075207956.db2.gz UNGFYOFTRSQKNS-GOSISDBHSA-N 1 2 410.478 1.839 20 0 HDADLO Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000675575786 1075210097 /nfs/dbraw/zinc/21/00/97/1075210097.db2.gz YRMVDRYVAGBOAY-IBGZPJMESA-N 1 2 403.446 1.673 20 0 HDADLO CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000522831073 1075217591 /nfs/dbraw/zinc/21/75/91/1075217591.db2.gz HCMHOJNTPLOZSQ-UHFFFAOYSA-N 1 2 401.467 1.998 20 0 HDADLO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509353408 1075230041 /nfs/dbraw/zinc/23/00/41/1075230041.db2.gz CNDWJJZUCMDAOG-GFCCVEGCSA-N 1 2 424.748 1.721 20 0 HDADLO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509353408 1075230044 /nfs/dbraw/zinc/23/00/44/1075230044.db2.gz CNDWJJZUCMDAOG-GFCCVEGCSA-N 1 2 424.748 1.721 20 0 HDADLO COC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC000466690427 1075231431 /nfs/dbraw/zinc/23/14/31/1075231431.db2.gz KKNISXNDPXJOTB-UHFFFAOYSA-N 1 2 424.501 1.476 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1cnn(CC(F)F)c1)c1ccccc1 ZINC000675594961 1075233067 /nfs/dbraw/zinc/23/30/67/1075233067.db2.gz BWUUSXDHNCATCP-HNNXBMFYSA-N 1 2 402.405 1.920 20 0 HDADLO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)n1 ZINC000426958147 1075247252 /nfs/dbraw/zinc/24/72/52/1075247252.db2.gz WVKZNEAPHXSTTO-HKUYNNGSSA-N 1 2 424.505 2.400 20 0 HDADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509361316 1075251739 /nfs/dbraw/zinc/25/17/39/1075251739.db2.gz UQERXWWSGTXKGE-MJBXVCDLSA-N 1 2 401.554 1.418 20 0 HDADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509361316 1075251742 /nfs/dbraw/zinc/25/17/42/1075251742.db2.gz UQERXWWSGTXKGE-MJBXVCDLSA-N 1 2 401.554 1.418 20 0 HDADLO O=C(Nc1cccc(Cn2cccn2)c1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675702112 1075256553 /nfs/dbraw/zinc/25/65/53/1075256553.db2.gz RRMIWZRIFDJABL-VQTJNVASSA-N 1 2 411.506 1.630 20 0 HDADLO O=C(Nc1cccc(Cn2cccn2)c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675702113 1075256602 /nfs/dbraw/zinc/25/66/02/1075256602.db2.gz RRMIWZRIFDJABL-WOJBJXKFSA-N 1 2 411.506 1.630 20 0 HDADLO Cc1nn(C)c2ncc(NC(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc12 ZINC000675733904 1075261064 /nfs/dbraw/zinc/26/10/64/1075261064.db2.gz ONVKCPYXVBWDQR-UHFFFAOYSA-N 1 2 407.478 1.739 20 0 HDADLO C[C@H]1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000675815113 1075276042 /nfs/dbraw/zinc/27/60/42/1075276042.db2.gz NVQZOJNFAITTBF-GJZGRUSLSA-N 1 2 414.428 1.689 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccn(CCN3CCOCC3)n2)c1C ZINC000605429589 1075277289 /nfs/dbraw/zinc/27/72/89/1075277289.db2.gz YSNKGAJZMDOIGB-UHFFFAOYSA-N 1 2 402.499 1.900 20 0 HDADLO Cn1cc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(-c2ccccn2)n1 ZINC000675838324 1075280805 /nfs/dbraw/zinc/28/08/05/1075280805.db2.gz GOKNGAUXDFWMRI-UHFFFAOYSA-N 1 2 419.489 1.945 20 0 HDADLO CC(C)(C)OC(=O)NCc1cccnc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001129096750 1075286577 /nfs/dbraw/zinc/28/65/77/1075286577.db2.gz SUFWRVKNTWEPIP-SJORKVTESA-N 1 2 420.510 1.925 20 0 HDADLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000429382297 1075286594 /nfs/dbraw/zinc/28/65/94/1075286594.db2.gz SKFHVDMUKGPBRX-UHFFFAOYSA-N 1 2 409.483 1.692 20 0 HDADLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000429382297 1075286596 /nfs/dbraw/zinc/28/65/96/1075286596.db2.gz SKFHVDMUKGPBRX-UHFFFAOYSA-N 1 2 409.483 1.692 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675893542 1075287510 /nfs/dbraw/zinc/28/75/10/1075287510.db2.gz OGCKMEFDTQCBDL-GOSISDBHSA-N 1 2 404.515 1.270 20 0 HDADLO Cc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1OC(F)F ZINC000440352406 1075295905 /nfs/dbraw/zinc/29/59/05/1075295905.db2.gz GCDQDONKJOFKGT-UHFFFAOYSA-N 1 2 423.420 1.702 20 0 HDADLO C[C@@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000479119160 1075302176 /nfs/dbraw/zinc/30/21/76/1075302176.db2.gz OGGYQNHBJQNULU-CXAGYDPISA-N 1 2 414.333 1.831 20 0 HDADLO C[C@@H]1CN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000479119161 1075302228 /nfs/dbraw/zinc/30/22/28/1075302228.db2.gz OGGYQNHBJQNULU-DYVFJYSZSA-N 1 2 414.333 1.831 20 0 HDADLO COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1C ZINC000731337385 1075308748 /nfs/dbraw/zinc/30/87/48/1075308748.db2.gz ZRBDMRXYSXKQJV-UHFFFAOYSA-N 1 2 419.482 1.216 20 0 HDADLO CN1CCN(S(=O)(=O)N2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000509375898 1075309035 /nfs/dbraw/zinc/30/90/35/1075309035.db2.gz YEFMOOOYXRXPBX-UHFFFAOYSA-N 1 2 422.595 1.618 20 0 HDADLO Cc1ccc2c(CCNC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)cn(C)c2c1 ZINC000444844126 1075336938 /nfs/dbraw/zinc/33/69/38/1075336938.db2.gz BTXGFHFIIVGTSZ-UHFFFAOYSA-N 1 2 410.522 2.380 20 0 HDADLO CCOC1CC(CNc2ccc(C(=O)NC3CCCC3)nn2)([NH+]2CCOCC2)C1 ZINC000443966573 1075339516 /nfs/dbraw/zinc/33/95/16/1075339516.db2.gz WVFBRKUGTTUHEX-UHFFFAOYSA-N 1 2 403.527 1.831 20 0 HDADLO CN(C)C(=O)Sc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000731437319 1075351906 /nfs/dbraw/zinc/35/19/06/1075351906.db2.gz QTOZMOBUOVRKAC-HNNXBMFYSA-N 1 2 420.535 1.580 20 0 HDADLO COCC[N@H+](C)CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000731473836 1075359627 /nfs/dbraw/zinc/35/96/27/1075359627.db2.gz CLNSIJDZIHTEQK-UHFFFAOYSA-N 1 2 416.503 1.635 20 0 HDADLO COCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000731473836 1075359632 /nfs/dbraw/zinc/35/96/32/1075359632.db2.gz CLNSIJDZIHTEQK-UHFFFAOYSA-N 1 2 416.503 1.635 20 0 HDADLO Cc1ccccc1[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)C ZINC000446772351 1075366829 /nfs/dbraw/zinc/36/68/29/1075366829.db2.gz HAYVZWIMGMBNLV-HXUWFJFHSA-N 1 2 413.522 1.976 20 0 HDADLO CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000731476489 1075370616 /nfs/dbraw/zinc/37/06/16/1075370616.db2.gz CDZPIUFKHMMWKU-CQSZACIVSA-N 1 2 422.913 1.209 20 0 HDADLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000731480596 1075371868 /nfs/dbraw/zinc/37/18/68/1075371868.db2.gz ABDALQJPMVLFHN-HOTGVXAUSA-N 1 2 417.572 1.259 20 0 HDADLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000731480596 1075371871 /nfs/dbraw/zinc/37/18/71/1075371871.db2.gz ABDALQJPMVLFHN-HOTGVXAUSA-N 1 2 417.572 1.259 20 0 HDADLO Cc1cccc(C)c1OCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001035452829 1075377944 /nfs/dbraw/zinc/37/79/44/1075377944.db2.gz UFFOPDDBQVGMAL-NHHWGVFUSA-N 1 2 400.519 1.923 20 0 HDADLO Cc1cccc(C)c1OCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001035452829 1075377947 /nfs/dbraw/zinc/37/79/47/1075377947.db2.gz UFFOPDDBQVGMAL-NHHWGVFUSA-N 1 2 400.519 1.923 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804092181 1075391964 /nfs/dbraw/zinc/39/19/64/1075391964.db2.gz SLDIKALJJBORIU-OWCLPIDISA-N 1 2 419.526 1.688 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000804090539 1075396278 /nfs/dbraw/zinc/39/62/78/1075396278.db2.gz KEQWGEHWAAJILA-BBWFWOEESA-N 1 2 419.526 1.999 20 0 HDADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCCc2ccn(-c3ccccc3)n2)C1 ZINC000804106270 1075408427 /nfs/dbraw/zinc/40/84/27/1075408427.db2.gz ISOWVIJNUYXMRO-KRWDZBQOSA-N 1 2 406.490 1.671 20 0 HDADLO CCSc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000440349986 1075409224 /nfs/dbraw/zinc/40/92/24/1075409224.db2.gz NNUNBWNCLFNCLA-UHFFFAOYSA-N 1 2 403.508 1.905 20 0 HDADLO CO[C@H]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000804110981 1075410084 /nfs/dbraw/zinc/41/00/84/1075410084.db2.gz DMRBBSNZAFJWBB-JXFKEZNVSA-N 1 2 402.539 1.769 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000731649088 1075429036 /nfs/dbraw/zinc/42/90/36/1075429036.db2.gz XYWKTVOXJYWSDJ-UHFFFAOYSA-N 1 2 410.927 1.765 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccnc(OCc3ccccc3)c2)CC1 ZINC000731648823 1075429923 /nfs/dbraw/zinc/42/99/23/1075429923.db2.gz JFWFQQOZWOOJGK-UHFFFAOYSA-N 1 2 417.531 1.899 20 0 HDADLO Cc1oc(-c2cccs2)nc1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650308 1075430948 /nfs/dbraw/zinc/43/09/48/1075430948.db2.gz ATVGYIPEFWXBGN-UHFFFAOYSA-N 1 2 411.549 1.879 20 0 HDADLO Cc1cccc(N2C[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2=O)c1C ZINC000731650240 1075431733 /nfs/dbraw/zinc/43/17/33/1075431733.db2.gz LZMNEBSEZWEJEV-QGZVFWFLSA-N 1 2 421.563 1.282 20 0 HDADLO CC(C)(C)OC(=O)NC1(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCC1 ZINC000731649671 1075433167 /nfs/dbraw/zinc/43/31/67/1075433167.db2.gz UFIGIIYLIIVOCV-UHFFFAOYSA-N 1 2 417.572 1.449 20 0 HDADLO COc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1OC(F)F ZINC000731649711 1075433548 /nfs/dbraw/zinc/43/35/48/1075433548.db2.gz XEMMVMZXCRPGAU-UHFFFAOYSA-N 1 2 406.451 1.535 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)NC3CC3)c2)CC1 ZINC000731650659 1075435383 /nfs/dbraw/zinc/43/53/83/1075435383.db2.gz LHJGVZABTFCVJP-UHFFFAOYSA-N 1 2 408.524 1.209 20 0 HDADLO Cc1oc(-c2ccccc2)nc1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650881 1075435440 /nfs/dbraw/zinc/43/54/40/1075435440.db2.gz OCRJZGYTPBRFIC-UHFFFAOYSA-N 1 2 405.520 1.818 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)Cc3occc3C)CC2)cc1 ZINC000429405416 1075436585 /nfs/dbraw/zinc/43/65/85/1075436585.db2.gz NLBAXXUGUXBVDE-UHFFFAOYSA-N 1 2 421.519 1.562 20 0 HDADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)Cc3occc3C)CC2)cc1 ZINC000429405416 1075436591 /nfs/dbraw/zinc/43/65/91/1075436591.db2.gz NLBAXXUGUXBVDE-UHFFFAOYSA-N 1 2 421.519 1.562 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(COc3ccccc3)CC2)CC1 ZINC000731686121 1075447092 /nfs/dbraw/zinc/44/70/92/1075447092.db2.gz RLSXWZUUWNHLRT-UHFFFAOYSA-N 1 2 423.579 1.996 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000731686633 1075449373 /nfs/dbraw/zinc/44/93/73/1075449373.db2.gz HNJAYFBVWKINRT-FQEVSTJZSA-N 1 2 419.547 1.681 20 0 HDADLO C[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000676259011 1075454777 /nfs/dbraw/zinc/45/47/77/1075454777.db2.gz ZEZFIUSLGIVQOL-FZMZJTMJSA-N 1 2 424.350 1.497 20 0 HDADLO C[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000676259011 1075454780 /nfs/dbraw/zinc/45/47/80/1075454780.db2.gz ZEZFIUSLGIVQOL-FZMZJTMJSA-N 1 2 424.350 1.497 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cnc(-c3ccccc3)nc2)CC1 ZINC000731678149 1075461300 /nfs/dbraw/zinc/46/13/00/1075461300.db2.gz HYEUVXPJIDUCEL-UHFFFAOYSA-N 1 2 403.508 1.774 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000731679931 1075462670 /nfs/dbraw/zinc/46/26/70/1075462670.db2.gz ZNKGKLAZQPASSF-UHFFFAOYSA-N 1 2 419.551 1.240 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000731679918 1075462925 /nfs/dbraw/zinc/46/29/25/1075462925.db2.gz YROOKFYCQBCVRX-UHFFFAOYSA-N 1 2 423.457 1.893 20 0 HDADLO COc1ccc(CCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)c1 ZINC000731682253 1075465103 /nfs/dbraw/zinc/46/51/03/1075465103.db2.gz UGILGGMRIROWTK-UHFFFAOYSA-N 1 2 413.540 1.055 20 0 HDADLO Cc1nc(N(C)C)nc(N[C@H](C)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)[nH+]1 ZINC001061894103 1075465365 /nfs/dbraw/zinc/46/53/65/1075465365.db2.gz RJOQXRZSFJFUHI-XTENKEOPSA-N 1 2 400.527 1.708 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000731683035 1075466068 /nfs/dbraw/zinc/46/60/68/1075466068.db2.gz YMVNPOJLPSMTOG-UHFFFAOYSA-N 1 2 419.551 1.240 20 0 HDADLO O=S(=O)(c1cc(Br)ccc1F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429414198 1075473922 /nfs/dbraw/zinc/47/39/22/1075473922.db2.gz DNNNVKIWDSHNDW-GFCCVEGCSA-N 1 2 407.305 1.931 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000676274732 1075475282 /nfs/dbraw/zinc/47/52/82/1075475282.db2.gz BMAXSZDJXLJIFC-SFHVURJKSA-N 1 2 412.494 1.571 20 0 HDADLO COc1cccc(Cn2[nH]c(C)c3c(NC(=O)[C@@H]4CCn5cc[nH+]c5C4)nnc2-3)c1 ZINC000439957803 1075480810 /nfs/dbraw/zinc/48/08/10/1075480810.db2.gz FJLVFTRGEJCHHB-OAHLLOKOSA-N 1 2 405.462 2.474 20 0 HDADLO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429418249 1075488322 /nfs/dbraw/zinc/48/83/22/1075488322.db2.gz PMEOVJCITRYUKE-GFCCVEGCSA-N 1 2 417.413 1.860 20 0 HDADLO Cc1csc2c1ncnc2NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000479943271 1075492667 /nfs/dbraw/zinc/49/26/67/1075492667.db2.gz VLQXWHCNLYHJDA-UHFFFAOYSA-N 1 2 418.548 1.959 20 0 HDADLO Cc1nc(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)sc1S(N)(=O)=O ZINC000558756818 1075494654 /nfs/dbraw/zinc/49/46/54/1075494654.db2.gz OODRCAHRFCTDQB-MRXNPFEDSA-N 1 2 409.581 1.890 20 0 HDADLO Cc1nc(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)sc1S(N)(=O)=O ZINC000558756818 1075494659 /nfs/dbraw/zinc/49/46/59/1075494659.db2.gz OODRCAHRFCTDQB-MRXNPFEDSA-N 1 2 409.581 1.890 20 0 HDADLO CCCCc1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731765647 1075501343 /nfs/dbraw/zinc/50/13/43/1075501343.db2.gz WJPBKNHNVBRUOM-UHFFFAOYSA-N 1 2 409.552 1.593 20 0 HDADLO CC[C@H](c1nnc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)s1)c1ccccc1 ZINC000435133759 1075502164 /nfs/dbraw/zinc/50/21/64/1075502164.db2.gz SQFKKDMPXDJOMI-SJORKVTESA-N 1 2 419.551 2.237 20 0 HDADLO COc1ccc(C(=O)NCC[NH+]2CCN(Cc3cnnn3-c3ccccc3)CC2)cc1 ZINC000676307058 1075503882 /nfs/dbraw/zinc/50/38/82/1075503882.db2.gz NJYBJNHSSGUIGJ-UHFFFAOYSA-N 1 2 420.517 1.824 20 0 HDADLO COc1cc(F)c(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1OC ZINC000731756004 1075512582 /nfs/dbraw/zinc/51/25/82/1075512582.db2.gz IZTBXTDBZRQRHJ-UHFFFAOYSA-N 1 2 403.476 1.473 20 0 HDADLO COc1ccc(CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C2CC2)cc1 ZINC000731761211 1075515699 /nfs/dbraw/zinc/51/56/99/1075515699.db2.gz XQFMEXIKXYPBQF-UHFFFAOYSA-N 1 2 409.552 1.878 20 0 HDADLO O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676343025 1075516001 /nfs/dbraw/zinc/51/60/01/1075516001.db2.gz UPNSBQKJRCMWJI-UXHICEINSA-N 1 2 421.563 1.162 20 0 HDADLO Cc1ccc2cccc(NC(=O)C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2n1 ZINC000731765039 1075519496 /nfs/dbraw/zinc/51/94/96/1075519496.db2.gz KVVPHYHRBBKJBT-UHFFFAOYSA-N 1 2 418.519 1.107 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000676334210 1075523007 /nfs/dbraw/zinc/52/30/07/1075523007.db2.gz SIUYGTKIFOSLOI-ZWNOBZJWSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@@H](NC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000676334210 1075523012 /nfs/dbraw/zinc/52/30/12/1075523012.db2.gz SIUYGTKIFOSLOI-ZWNOBZJWSA-N 1 2 401.364 1.874 20 0 HDADLO C[C@@H](O)C[NH+]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000731826413 1075524816 /nfs/dbraw/zinc/52/48/16/1075524816.db2.gz ALRFWVPVLUONED-MRXNPFEDSA-N 1 2 418.563 1.771 20 0 HDADLO Cc1nc(N[C@@H]2CCO[C@@]3(CCOC3)C2)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)[nH+]1 ZINC000480450613 1075525086 /nfs/dbraw/zinc/52/50/86/1075525086.db2.gz VFBSKYOXSSLHRA-SMOSDQRPSA-N 1 2 405.499 1.680 20 0 HDADLO Cc1nc(N[C@@H]2CCO[C@]3(CCOC3)C2)nc(N[C@@H]2CCO[C@@]3(CCOC3)C2)[nH+]1 ZINC000480450613 1075525087 /nfs/dbraw/zinc/52/50/87/1075525087.db2.gz VFBSKYOXSSLHRA-SMOSDQRPSA-N 1 2 405.499 1.680 20 0 HDADLO Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000511728022 1075525329 /nfs/dbraw/zinc/52/53/29/1075525329.db2.gz FJSXLDFVGFTYLQ-UHFFFAOYSA-N 1 2 410.272 1.639 20 0 HDADLO O=C(c1ccccc1S(=O)(=O)N1CCCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676390066 1075535028 /nfs/dbraw/zinc/53/50/28/1075535028.db2.gz UGIPLUKBVHSBMY-KRWDZBQOSA-N 1 2 407.536 1.408 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2O)CC1 ZINC000731838500 1075544447 /nfs/dbraw/zinc/54/44/47/1075544447.db2.gz JKMOBAUYPCRPMX-UHFFFAOYSA-N 1 2 405.314 1.394 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H](N2CCCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000466731412 1075564312 /nfs/dbraw/zinc/56/43/12/1075564312.db2.gz NKUYUQPXDFYKBP-WBVHZDCISA-N 1 2 407.536 1.827 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000466731412 1075564317 /nfs/dbraw/zinc/56/43/17/1075564317.db2.gz NKUYUQPXDFYKBP-WBVHZDCISA-N 1 2 407.536 1.827 20 0 HDADLO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000466731412 1075564322 /nfs/dbraw/zinc/56/43/22/1075564322.db2.gz NKUYUQPXDFYKBP-WBVHZDCISA-N 1 2 407.536 1.827 20 0 HDADLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1nc2ccccc2s1 ZINC000804164912 1075567967 /nfs/dbraw/zinc/56/79/67/1075567967.db2.gz OEQVRCMIQWQYBS-HUUCEWRRSA-N 1 2 402.520 1.797 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000676488609 1075568407 /nfs/dbraw/zinc/56/84/07/1075568407.db2.gz HIZPGYYEVPGXRH-RLLQIKCJSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000676488609 1075568411 /nfs/dbraw/zinc/56/84/11/1075568411.db2.gz HIZPGYYEVPGXRH-RLLQIKCJSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000676488609 1075568416 /nfs/dbraw/zinc/56/84/16/1075568416.db2.gz HIZPGYYEVPGXRH-RLLQIKCJSA-N 1 2 411.502 1.961 20 0 HDADLO O=C([O-])c1ccc(CN2C(=O)C[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000676488609 1075568420 /nfs/dbraw/zinc/56/84/20/1075568420.db2.gz HIZPGYYEVPGXRH-RLLQIKCJSA-N 1 2 411.502 1.961 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(OCC)cc32)CC1 ZINC000676510658 1075572520 /nfs/dbraw/zinc/57/25/20/1075572520.db2.gz AJXDDOJMYCXMTD-SFHVURJKSA-N 1 2 405.495 1.206 20 0 HDADLO COC(=O)c1cc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)oc1C ZINC000731965677 1075578038 /nfs/dbraw/zinc/57/80/38/1075578038.db2.gz PPOPXWGBMFRKQR-KRWDZBQOSA-N 1 2 408.451 1.131 20 0 HDADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676551406 1075583707 /nfs/dbraw/zinc/58/37/07/1075583707.db2.gz IMDOIMFVUJSJJY-SFHVURJKSA-N 1 2 418.501 1.998 20 0 HDADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676551406 1075583711 /nfs/dbraw/zinc/58/37/11/1075583711.db2.gz IMDOIMFVUJSJJY-SFHVURJKSA-N 1 2 418.501 1.998 20 0 HDADLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518244842 1075591336 /nfs/dbraw/zinc/59/13/36/1075591336.db2.gz HOBKYWDQWJKKQN-CQSZACIVSA-N 1 2 405.886 1.626 20 0 HDADLO CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001078995723 1075600345 /nfs/dbraw/zinc/60/03/45/1075600345.db2.gz XENHKZTUKYMZQR-SIFVSHMBSA-N 1 2 400.523 1.926 20 0 HDADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H](C)c3nc4ccccc4s3)CC2)cc[nH+]1 ZINC000804170192 1075600747 /nfs/dbraw/zinc/60/07/47/1075600747.db2.gz MWOSZWXHCMFFHB-ZDUSSCGKSA-N 1 2 410.503 1.921 20 0 HDADLO CN(CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000804179000 1075604684 /nfs/dbraw/zinc/60/46/84/1075604684.db2.gz TZRCMXLSNQCSRV-UHFFFAOYSA-N 1 2 404.511 1.314 20 0 HDADLO CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000676616208 1075617195 /nfs/dbraw/zinc/61/71/95/1075617195.db2.gz OFVFBUWVGCEAIW-UHFFFAOYSA-N 1 2 415.515 1.344 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000580661062 1075620343 /nfs/dbraw/zinc/62/03/43/1075620343.db2.gz CDDZHFMPIJDMSI-UHFFFAOYSA-N 1 2 420.539 2.082 20 0 HDADLO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000532693428 1075630010 /nfs/dbraw/zinc/63/00/10/1075630010.db2.gz ISXVBDXZLJUZMQ-CYBMUJFWSA-N 1 2 402.478 1.693 20 0 HDADLO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000532693428 1075630012 /nfs/dbraw/zinc/63/00/12/1075630012.db2.gz ISXVBDXZLJUZMQ-CYBMUJFWSA-N 1 2 402.478 1.693 20 0 HDADLO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1F ZINC000548964243 1075635284 /nfs/dbraw/zinc/63/52/84/1075635284.db2.gz MILFILUEQWUWFD-LLVKDONJSA-N 1 2 403.414 1.806 20 0 HDADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000494495442 1075637398 /nfs/dbraw/zinc/63/73/98/1075637398.db2.gz SZCYSRIDOSURBX-UHFFFAOYSA-N 1 2 409.493 1.744 20 0 HDADLO COc1ccccc1Nc1nc(N)nc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000532582370 1075641952 /nfs/dbraw/zinc/64/19/52/1075641952.db2.gz LNBHIQBCRDHSQX-MRXNPFEDSA-N 1 2 420.521 1.902 20 0 HDADLO O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165009 1075642844 /nfs/dbraw/zinc/64/28/44/1075642844.db2.gz FOUIGPWLNVQVKI-NRFANRHFSA-N 1 2 411.502 1.973 20 0 HDADLO O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165011 1075642998 /nfs/dbraw/zinc/64/29/98/1075642998.db2.gz FOUIGPWLNVQVKI-OAQYLSRUSA-N 1 2 411.502 1.973 20 0 HDADLO CS(=O)(=O)Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732165982 1075643744 /nfs/dbraw/zinc/64/37/44/1075643744.db2.gz RVVYNIWFZFIUJG-HXUWFJFHSA-N 1 2 417.531 1.731 20 0 HDADLO O=C(Cc1cnn(-c2ccccc2)n1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732167411 1075657817 /nfs/dbraw/zinc/65/78/17/1075657817.db2.gz ZDBKLJZTDYXURS-NRFANRHFSA-N 1 2 405.502 1.870 20 0 HDADLO C[C@@H]1COCCC[N@@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000676713412 1075657850 /nfs/dbraw/zinc/65/78/50/1075657850.db2.gz ORXHKMLDJMLWQI-QGZVFWFLSA-N 1 2 421.563 1.861 20 0 HDADLO C[C@@H]1COCCC[N@H+]1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000676713412 1075657854 /nfs/dbraw/zinc/65/78/54/1075657854.db2.gz ORXHKMLDJMLWQI-QGZVFWFLSA-N 1 2 421.563 1.861 20 0 HDADLO CCOc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1S(=O)(=O)N1CCCC1 ZINC000560978571 1075658053 /nfs/dbraw/zinc/65/80/53/1075658053.db2.gz FICBRFISVHWURW-UHFFFAOYSA-N 1 2 419.507 2.169 20 0 HDADLO CC(C)CN(C(=O)C[N@@H+]1CCCOC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000676713873 1075658236 /nfs/dbraw/zinc/65/82/36/1075658236.db2.gz MAIZDKYZSRVFND-HNNXBMFYSA-N 1 2 409.531 1.287 20 0 HDADLO CC(C)CN(C(=O)C[N@H+]1CCCOC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000676713873 1075658238 /nfs/dbraw/zinc/65/82/38/1075658238.db2.gz MAIZDKYZSRVFND-HNNXBMFYSA-N 1 2 409.531 1.287 20 0 HDADLO CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000676721909 1075667968 /nfs/dbraw/zinc/66/79/68/1075667968.db2.gz PPVZVEFQCWMMDD-UHFFFAOYSA-N 1 2 416.547 1.937 20 0 HDADLO COc1ncc(-n2[nH]c(=O)nc2C[NH3+])c2ccn(S(=O)(=O)c3ccc(C)cc3)c21 ZINC001168760717 1075670490 /nfs/dbraw/zinc/67/04/90/1075670490.db2.gz DVCCMAQIBWYWLD-UHFFFAOYSA-N 1 2 414.447 1.335 20 0 HDADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000732225639 1075682637 /nfs/dbraw/zinc/68/26/37/1075682637.db2.gz REQBNSRTAPHSBT-OAHLLOKOSA-N 1 2 401.479 1.740 20 0 HDADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000732225639 1075682640 /nfs/dbraw/zinc/68/26/40/1075682640.db2.gz REQBNSRTAPHSBT-OAHLLOKOSA-N 1 2 401.479 1.740 20 0 HDADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000732225638 1075682707 /nfs/dbraw/zinc/68/27/07/1075682707.db2.gz REQBNSRTAPHSBT-HNNXBMFYSA-N 1 2 401.479 1.740 20 0 HDADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000732225638 1075682709 /nfs/dbraw/zinc/68/27/09/1075682709.db2.gz REQBNSRTAPHSBT-HNNXBMFYSA-N 1 2 401.479 1.740 20 0 HDADLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000141560214 1075685518 /nfs/dbraw/zinc/68/55/18/1075685518.db2.gz FYJRSRNLLGSGCY-LBPRGKRZSA-N 1 2 409.430 1.167 20 0 HDADLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000507875031 1075689618 /nfs/dbraw/zinc/68/96/18/1075689618.db2.gz RQLCMBGVCMGVBK-HNNXBMFYSA-N 1 2 408.510 1.749 20 0 HDADLO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001084996092 1075695087 /nfs/dbraw/zinc/69/50/87/1075695087.db2.gz PTYCFWIBSIDBLA-PJHRJCEYSA-N 1 2 402.495 1.421 20 0 HDADLO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001084996092 1075695088 /nfs/dbraw/zinc/69/50/88/1075695088.db2.gz PTYCFWIBSIDBLA-PJHRJCEYSA-N 1 2 402.495 1.421 20 0 HDADLO COc1cccc([C@@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000732349981 1075718801 /nfs/dbraw/zinc/71/88/01/1075718801.db2.gz YKNGXUFNLKLFBQ-LJQANCHMSA-N 1 2 404.488 1.678 20 0 HDADLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000732351276 1075719864 /nfs/dbraw/zinc/71/98/64/1075719864.db2.gz ZLXYSXLOUQDLIT-HXUWFJFHSA-N 1 2 401.507 1.694 20 0 HDADLO COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397282 1075732723 /nfs/dbraw/zinc/73/27/23/1075732723.db2.gz OTFQHNKNKCCQHU-IRXDYDNUSA-N 1 2 419.522 1.734 20 0 HDADLO Nc1nc(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)nc2ccccc12 ZINC000599122674 1075732906 /nfs/dbraw/zinc/73/29/06/1075732906.db2.gz ZNEXVUGYYSESLE-GOSISDBHSA-N 1 2 402.462 1.820 20 0 HDADLO Nc1nc(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)nc2ccccc12 ZINC000599122674 1075732909 /nfs/dbraw/zinc/73/29/09/1075732909.db2.gz ZNEXVUGYYSESLE-GOSISDBHSA-N 1 2 402.462 1.820 20 0 HDADLO CC(=O)Nc1cccc(Nc2nnc(SCC(=O)N3CC[NH+](C)CC3)s2)c1 ZINC000641980650 1075741623 /nfs/dbraw/zinc/74/16/23/1075741623.db2.gz JWZMSZKLKRHLKH-UHFFFAOYSA-N 1 2 406.537 2.106 20 0 HDADLO C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000732453092 1075742539 /nfs/dbraw/zinc/74/25/39/1075742539.db2.gz SGVZVEFFCCHWKL-KXBFYZLASA-N 1 2 416.588 1.749 20 0 HDADLO Nc1ccc2c(ncnc2N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000536389750 1075743969 /nfs/dbraw/zinc/74/39/69/1075743969.db2.gz VUWUCOUMPOPIQC-AWEZNQCLSA-N 1 2 407.482 1.315 20 0 HDADLO Nc1ccc2c(ncnc2N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000536389750 1075743972 /nfs/dbraw/zinc/74/39/72/1075743972.db2.gz VUWUCOUMPOPIQC-AWEZNQCLSA-N 1 2 407.482 1.315 20 0 HDADLO CCn1c(=S)n(CN2CC[NH+](Cc3ccncc3)CC2)nc1N1CCOCC1 ZINC000732470053 1075755905 /nfs/dbraw/zinc/75/59/05/1075755905.db2.gz ZADAHKRUBGVZIW-UHFFFAOYSA-N 1 2 403.556 1.441 20 0 HDADLO CN(CCCOc1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438328261 1075759919 /nfs/dbraw/zinc/75/99/19/1075759919.db2.gz YZILEOQBBTYPJI-UHFFFAOYSA-N 1 2 405.474 2.287 20 0 HDADLO Nc1nc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)nc(Nc2ccc(F)cc2)n1 ZINC000426123546 1075762110 /nfs/dbraw/zinc/76/21/10/1075762110.db2.gz OATRKLXZMJUIAN-JTQLQIEISA-N 1 2 413.379 1.837 20 0 HDADLO Nc1nc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)nc(Nc2ccc(F)cc2)n1 ZINC000426123546 1075762115 /nfs/dbraw/zinc/76/21/15/1075762115.db2.gz OATRKLXZMJUIAN-JTQLQIEISA-N 1 2 413.379 1.837 20 0 HDADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1c(F)cccc1Cl ZINC000532603270 1075764906 /nfs/dbraw/zinc/76/49/06/1075764906.db2.gz CJTPYIFZPPOHBR-ZDUSSCGKSA-N 1 2 423.876 1.824 20 0 HDADLO Nc1nsc(N2CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2)n1 ZINC000484984897 1075769214 /nfs/dbraw/zinc/76/92/14/1075769214.db2.gz GLVBANOCCBOFNS-UHFFFAOYSA-N 1 2 408.557 1.917 20 0 HDADLO COCc1c(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cnn1-c1ccccc1 ZINC000466643160 1075771623 /nfs/dbraw/zinc/77/16/23/1075771623.db2.gz SUZCCRRRIOWBCC-MRXNPFEDSA-N 1 2 400.479 1.728 20 0 HDADLO Nc1nsc(N2CC[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC2)n1 ZINC000539913247 1075771895 /nfs/dbraw/zinc/77/18/95/1075771895.db2.gz KBNPRRSBKJDRNJ-UHFFFAOYSA-N 1 2 402.524 1.348 20 0 HDADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2ncc(S(N)(=O)=O)s2)CC1 ZINC000732568360 1075790182 /nfs/dbraw/zinc/79/01/82/1075790182.db2.gz XPLNBKPMKUOVIN-UHFFFAOYSA-N 1 2 405.546 1.145 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000483587584 1075796354 /nfs/dbraw/zinc/79/63/54/1075796354.db2.gz UJKGVMSSIYYFEL-CZUORRHYSA-N 1 2 413.375 1.927 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000483587584 1075796358 /nfs/dbraw/zinc/79/63/58/1075796358.db2.gz UJKGVMSSIYYFEL-CZUORRHYSA-N 1 2 413.375 1.927 20 0 HDADLO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000017114896 1075807140 /nfs/dbraw/zinc/80/71/40/1075807140.db2.gz AETXPJDCLFUZQT-UHFFFAOYSA-N 1 2 422.576 1.825 20 0 HDADLO Cc1onc2c1c(C)nn(CN1CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC1)c2=O ZINC000732672738 1075828030 /nfs/dbraw/zinc/82/80/30/1075828030.db2.gz LZUAUNVADLPEQI-KRWDZBQOSA-N 1 2 417.897 1.963 20 0 HDADLO CC(C)C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000448485382 1075832451 /nfs/dbraw/zinc/83/24/51/1075832451.db2.gz YZTCQMWWQDODDD-IBGZPJMESA-N 1 2 413.522 2.057 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21 ZINC001085039876 1075834032 /nfs/dbraw/zinc/83/40/32/1075834032.db2.gz VTNCTRPLZYVOKI-DZVNLGKHSA-N 1 2 401.511 1.455 20 0 HDADLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21 ZINC001085039876 1075834038 /nfs/dbraw/zinc/83/40/38/1075834038.db2.gz VTNCTRPLZYVOKI-DZVNLGKHSA-N 1 2 401.511 1.455 20 0 HDADLO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000611098335 1075842971 /nfs/dbraw/zinc/84/29/71/1075842971.db2.gz YWZYUIRRCNJMHC-OAHLLOKOSA-N 1 2 401.467 1.810 20 0 HDADLO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000551447447 1075857843 /nfs/dbraw/zinc/85/78/43/1075857843.db2.gz JHHLFASCHLEBTA-HNNXBMFYSA-N 1 2 412.494 2.141 20 0 HDADLO O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732798233 1075861033 /nfs/dbraw/zinc/86/10/33/1075861033.db2.gz LKHRMMPNAHODHH-CVDCTZTESA-N 1 2 410.518 1.900 20 0 HDADLO O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732798233 1075861038 /nfs/dbraw/zinc/86/10/38/1075861038.db2.gz LKHRMMPNAHODHH-CVDCTZTESA-N 1 2 410.518 1.900 20 0 HDADLO O=C(CCNC(=O)Nc1ccc(C(F)(F)F)nn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000471927150 1075865378 /nfs/dbraw/zinc/86/53/78/1075865378.db2.gz MCWPYYXDTNSKOA-UHFFFAOYSA-N 1 2 423.399 1.751 20 0 HDADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000611170274 1075866647 /nfs/dbraw/zinc/86/66/47/1075866647.db2.gz ZYKIRUWCZBDCRW-WMLDXEAASA-N 1 2 411.520 1.991 20 0 HDADLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000611170274 1075866651 /nfs/dbraw/zinc/86/66/51/1075866651.db2.gz ZYKIRUWCZBDCRW-WMLDXEAASA-N 1 2 411.520 1.991 20 0 HDADLO O=C(CCNS(=O)(=O)c1cccs1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000042051261 1075866875 /nfs/dbraw/zinc/86/68/75/1075866875.db2.gz VSMKEUBMRDMPOU-UHFFFAOYSA-N 1 2 414.578 2.498 20 0 HDADLO COc1c(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)nn1C ZINC000732852230 1075886121 /nfs/dbraw/zinc/88/61/21/1075886121.db2.gz QSKMAJGYLGWYAI-UHFFFAOYSA-N 1 2 416.478 1.043 20 0 HDADLO COC(=O)c1sc(NC(=O)C[N@H+](C)CCc2cnccn2)c(C(=O)OC)c1C ZINC000611303206 1075895441 /nfs/dbraw/zinc/89/54/41/1075895441.db2.gz MPSCMDSBGXTOFR-UHFFFAOYSA-N 1 2 406.464 1.533 20 0 HDADLO COC(=O)c1sc(NC(=O)C[N@@H+](C)CCc2cnccn2)c(C(=O)OC)c1C ZINC000611303206 1075895444 /nfs/dbraw/zinc/89/54/44/1075895444.db2.gz MPSCMDSBGXTOFR-UHFFFAOYSA-N 1 2 406.464 1.533 20 0 HDADLO C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915201 1075912178 /nfs/dbraw/zinc/91/21/78/1075912178.db2.gz YLZYESVJVANFFW-DLBZAZTESA-N 1 2 414.510 1.805 20 0 HDADLO C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915201 1075912183 /nfs/dbraw/zinc/91/21/83/1075912183.db2.gz YLZYESVJVANFFW-DLBZAZTESA-N 1 2 414.510 1.805 20 0 HDADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)no1 ZINC000489681959 1075926068 /nfs/dbraw/zinc/92/60/68/1075926068.db2.gz UOOFLSOHKAAHMO-INIZCTEOSA-N 1 2 409.450 1.476 20 0 HDADLO COC(=O)CC(C)(C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000611422277 1075931886 /nfs/dbraw/zinc/93/18/86/1075931886.db2.gz DRCOGPOAZLYZFA-MRXNPFEDSA-N 1 2 419.526 1.378 20 0 HDADLO COC(=O)CC(C)(C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000611422277 1075931888 /nfs/dbraw/zinc/93/18/88/1075931888.db2.gz DRCOGPOAZLYZFA-MRXNPFEDSA-N 1 2 419.526 1.378 20 0 HDADLO CN(C(=O)C[N@H+](C)CCN1CCCC1=O)c1ccccc1C(=O)NCc1ccco1 ZINC000733032649 1075947572 /nfs/dbraw/zinc/94/75/72/1075947572.db2.gz SKBROVVARCPCAJ-UHFFFAOYSA-N 1 2 412.490 1.727 20 0 HDADLO CN(C(=O)C[N@@H+](C)CCN1CCCC1=O)c1ccccc1C(=O)NCc1ccco1 ZINC000733032649 1075947574 /nfs/dbraw/zinc/94/75/74/1075947574.db2.gz SKBROVVARCPCAJ-UHFFFAOYSA-N 1 2 412.490 1.727 20 0 HDADLO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611540577 1075956483 /nfs/dbraw/zinc/95/64/83/1075956483.db2.gz DURLYTVKKTVEOJ-LSDHHAIUSA-N 1 2 402.900 1.346 20 0 HDADLO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000611540670 1075956940 /nfs/dbraw/zinc/95/69/40/1075956940.db2.gz NCVVXOMPQBBMTP-DLBZAZTESA-N 1 2 400.472 1.222 20 0 HDADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(CCO)CCN2CCOCC2)c(C)c1 ZINC000490996110 1075970999 /nfs/dbraw/zinc/97/09/99/1075970999.db2.gz MJIZVIUDWXPGLI-OAQYLSRUSA-N 1 2 415.538 1.577 20 0 HDADLO Cc1nc(CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000733095508 1075972505 /nfs/dbraw/zinc/97/25/05/1075972505.db2.gz DFICNMICWHDNGK-UHFFFAOYSA-N 1 2 423.564 1.047 20 0 HDADLO CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001079956133 1075979886 /nfs/dbraw/zinc/97/98/86/1075979886.db2.gz VSMSQXJFUFEXDJ-XUFBONQXSA-N 1 2 400.523 1.953 20 0 HDADLO C=CC(=O)NCc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)cc1 ZINC000733156918 1075989190 /nfs/dbraw/zinc/98/91/90/1075989190.db2.gz KEUIOFVVUDNSAX-UHFFFAOYSA-N 1 2 400.523 1.505 20 0 HDADLO C=CC(=O)NCc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)cc1 ZINC000733156918 1075989193 /nfs/dbraw/zinc/98/91/93/1075989193.db2.gz KEUIOFVVUDNSAX-UHFFFAOYSA-N 1 2 400.523 1.505 20 0 HDADLO CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c(C)c1 ZINC000493895094 1075993275 /nfs/dbraw/zinc/99/32/75/1075993275.db2.gz UJJKKEIHBPRFAI-UHFFFAOYSA-N 1 2 404.511 1.252 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000733161719 1075994622 /nfs/dbraw/zinc/99/46/22/1075994622.db2.gz WABDCAZISQAYIQ-SFHVURJKSA-N 1 2 422.570 1.933 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000733161719 1075994625 /nfs/dbraw/zinc/99/46/25/1075994625.db2.gz WABDCAZISQAYIQ-SFHVURJKSA-N 1 2 422.570 1.933 20 0 HDADLO CC(C)C(=O)Nc1cccc(OC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000733172046 1076001401 /nfs/dbraw/zinc/00/14/01/1076001401.db2.gz MLEYVTPIZDWLHZ-INIZCTEOSA-N 1 2 403.479 1.367 20 0 HDADLO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CCn1cc[nH+]c1 ZINC001081103454 1076002173 /nfs/dbraw/zinc/00/21/73/1076002173.db2.gz VREYSTOMQZIASU-IYWGDAJJSA-N 1 2 400.523 1.784 20 0 HDADLO CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)c1 ZINC001081958528 1076019118 /nfs/dbraw/zinc/01/91/18/1076019118.db2.gz RXPHCMDRYPIZDO-CENDIDJXSA-N 1 2 401.507 1.177 20 0 HDADLO CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)c1 ZINC001081958528 1076019122 /nfs/dbraw/zinc/01/91/22/1076019122.db2.gz RXPHCMDRYPIZDO-CENDIDJXSA-N 1 2 401.507 1.177 20 0 HDADLO O=C(CCc1c[nH]c[nH+]1)N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000496032958 1076026573 /nfs/dbraw/zinc/02/65/73/1076026573.db2.gz KHPVNXVHHJNWGU-UHFFFAOYSA-N 1 2 413.503 1.814 20 0 HDADLO O=C(CCc1c[nH+]c[nH]1)N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000496032958 1076026576 /nfs/dbraw/zinc/02/65/76/1076026576.db2.gz KHPVNXVHHJNWGU-UHFFFAOYSA-N 1 2 413.503 1.814 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)C1=O ZINC000733293574 1076040727 /nfs/dbraw/zinc/04/07/27/1076040727.db2.gz PZQZLISYHIBUED-NRFANRHFSA-N 1 2 420.485 1.377 20 0 HDADLO O=C(NCCCn1cc[nH+]c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000053509946 1076057828 /nfs/dbraw/zinc/05/78/28/1076057828.db2.gz GYPUUEATDJSESV-UHFFFAOYSA-N 1 2 411.915 1.643 20 0 HDADLO COc1ccc(CN2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)cc1F ZINC000053531697 1076058467 /nfs/dbraw/zinc/05/84/67/1076058467.db2.gz DNDCQNYQEBDQOX-UHFFFAOYSA-N 1 2 408.518 1.772 20 0 HDADLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(Cn3c(=O)sc4c3CCCC4)CC2)C1 ZINC000727165225 1076067002 /nfs/dbraw/zinc/06/70/02/1076067002.db2.gz AETKMVPTNXFWNA-IAGOWNOFSA-N 1 2 406.596 1.868 20 0 HDADLO CN(CC[NH+]1CCOCC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000727173736 1076069936 /nfs/dbraw/zinc/06/99/36/1076069936.db2.gz TYFDSIVBEQIPTN-QHCPKHFHSA-N 1 2 424.501 1.397 20 0 HDADLO Cc1cc(N2CCN(C(=O)COC(=O)c3cccn(C)c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000733503183 1076085526 /nfs/dbraw/zinc/08/55/26/1076085526.db2.gz ITQOJDNYZJEFCG-UHFFFAOYSA-N 1 2 413.478 1.113 20 0 HDADLO COC(=O)NCCCC(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000733543409 1076091782 /nfs/dbraw/zinc/09/17/82/1076091782.db2.gz YXIZCBPAADPPNF-UHFFFAOYSA-N 1 2 421.498 1.236 20 0 HDADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000727446266 1076124090 /nfs/dbraw/zinc/12/40/90/1076124090.db2.gz KATORCMNZVSMAF-YFHOEESVSA-N 1 2 416.341 1.550 20 0 HDADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)/C=C\c2ccc(Br)cc2)CC1 ZINC000727447094 1076124633 /nfs/dbraw/zinc/12/46/33/1076124633.db2.gz PRNJZLIMZSEUDN-FLIBITNWSA-N 1 2 416.341 1.550 20 0 HDADLO COc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1S(=O)(=O)N(C)C ZINC000727496666 1076138002 /nfs/dbraw/zinc/13/80/02/1076138002.db2.gz PCLYSVXHHNJNSQ-QGZVFWFLSA-N 1 2 408.524 1.987 20 0 HDADLO COCCCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2[nH]c1=S ZINC000727750386 1076224313 /nfs/dbraw/zinc/22/43/13/1076224313.db2.gz ZZIZGBHWBNEOHV-HNNXBMFYSA-N 1 2 404.536 1.888 20 0 HDADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000727752706 1076227044 /nfs/dbraw/zinc/22/70/44/1076227044.db2.gz VTWVYRXJNFUDGD-SFHVURJKSA-N 1 2 402.495 1.411 20 0 HDADLO O=C(C[N@@H+]1CCCN(C(=O)CSc2nc3ccccc3[nH]2)CC1)N1CCCC1 ZINC000532869589 1076240624 /nfs/dbraw/zinc/24/06/24/1076240624.db2.gz DMNZSYONQRJXKI-UHFFFAOYSA-N 1 2 401.536 1.812 20 0 HDADLO O=C(C[N@H+]1CCCN(C(=O)CSc2nc3ccccc3[nH]2)CC1)N1CCCC1 ZINC000532869589 1076240627 /nfs/dbraw/zinc/24/06/27/1076240627.db2.gz DMNZSYONQRJXKI-UHFFFAOYSA-N 1 2 401.536 1.812 20 0 HDADLO Cc1ccc(C(C)(C)CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000533456519 1076243071 /nfs/dbraw/zinc/24/30/71/1076243071.db2.gz DIULGOADXRGNRY-UHFFFAOYSA-N 1 2 413.522 1.556 20 0 HDADLO Cn1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1=O ZINC000533827713 1076245149 /nfs/dbraw/zinc/24/51/49/1076245149.db2.gz ACKNSDQGKQRWHM-OAHLLOKOSA-N 1 2 419.279 1.389 20 0 HDADLO Cn1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1=O ZINC000533827713 1076245154 /nfs/dbraw/zinc/24/51/54/1076245154.db2.gz ACKNSDQGKQRWHM-OAHLLOKOSA-N 1 2 419.279 1.389 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001299318934 1076247675 /nfs/dbraw/zinc/24/76/75/1076247675.db2.gz MLDFKBDQXAJXFE-QZTJIDSGSA-N 1 2 413.559 1.876 20 0 HDADLO CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000534541098 1076248529 /nfs/dbraw/zinc/24/85/29/1076248529.db2.gz NDRUBIIGEUCYNX-HXUWFJFHSA-N 1 2 408.502 1.995 20 0 HDADLO CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000534541098 1076248531 /nfs/dbraw/zinc/24/85/31/1076248531.db2.gz NDRUBIIGEUCYNX-HXUWFJFHSA-N 1 2 408.502 1.995 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)CC1 ZINC001299319198 1076248622 /nfs/dbraw/zinc/24/86/22/1076248622.db2.gz PTCSGJNIWJIWQW-UHFFFAOYSA-N 1 2 417.384 1.971 20 0 HDADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000534749698 1076249524 /nfs/dbraw/zinc/24/95/24/1076249524.db2.gz IXGKQDYNWJJDLZ-HNNXBMFYSA-N 1 2 412.512 1.395 20 0 HDADLO CN1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535267094 1076251084 /nfs/dbraw/zinc/25/10/84/1076251084.db2.gz AUBOPCCJCVZUHW-FQEVSTJZSA-N 1 2 409.538 1.475 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000535278345 1076251758 /nfs/dbraw/zinc/25/17/58/1076251758.db2.gz WMEHNXHNLQTQFF-GOSISDBHSA-N 1 2 401.488 1.473 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000535278345 1076251760 /nfs/dbraw/zinc/25/17/60/1076251760.db2.gz WMEHNXHNLQTQFF-GOSISDBHSA-N 1 2 401.488 1.473 20 0 HDADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)cc21 ZINC000536031901 1076254339 /nfs/dbraw/zinc/25/43/39/1076254339.db2.gz LVMHQSSYXRBDCF-LJQANCHMSA-N 1 2 419.485 1.629 20 0 HDADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)cc21 ZINC000536031901 1076254344 /nfs/dbraw/zinc/25/43/44/1076254344.db2.gz LVMHQSSYXRBDCF-LJQANCHMSA-N 1 2 419.485 1.629 20 0 HDADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000536071100 1076255179 /nfs/dbraw/zinc/25/51/79/1076255179.db2.gz ONAYGNYRJVYLIZ-LJQANCHMSA-N 1 2 410.474 1.443 20 0 HDADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000536071100 1076255182 /nfs/dbraw/zinc/25/51/82/1076255182.db2.gz ONAYGNYRJVYLIZ-LJQANCHMSA-N 1 2 410.474 1.443 20 0 HDADLO CC(C)(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065712499 1076257592 /nfs/dbraw/zinc/25/75/92/1076257592.db2.gz ZKCJXTINRAFTNB-KKEPMVJESA-N 1 2 403.567 1.981 20 0 HDADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000733982784 1076282254 /nfs/dbraw/zinc/28/22/54/1076282254.db2.gz GNFSSNGZZAYLHW-UHFFFAOYSA-N 1 2 410.883 1.255 20 0 HDADLO CC1CCN(C(=O)C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5C=C[C@H]4CC5)[C@H]3C2)CC1 ZINC001083087466 1076287675 /nfs/dbraw/zinc/28/76/75/1076287675.db2.gz LESVTMZJBOSAJL-VIYGXFRKSA-N 1 2 401.551 1.759 20 0 HDADLO CC1CCN(C(=O)C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5C=C[C@H]4CC5)[C@H]3C2)CC1 ZINC001083087466 1076287680 /nfs/dbraw/zinc/28/76/80/1076287680.db2.gz LESVTMZJBOSAJL-VIYGXFRKSA-N 1 2 401.551 1.759 20 0 HDADLO COc1ccccc1C[NH+]1CCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000728055669 1076322455 /nfs/dbraw/zinc/32/24/55/1076322455.db2.gz DEAGPCBHPRMVHN-UHFFFAOYSA-N 1 2 417.531 1.855 20 0 HDADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](OC)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000728056386 1076323366 /nfs/dbraw/zinc/32/33/66/1076323366.db2.gz SNLNVQYJEOOXQF-QFBILLFUSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1C(C[N@H+]2CCC[C@H](OC)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000728056386 1076323371 /nfs/dbraw/zinc/32/33/71/1076323371.db2.gz SNLNVQYJEOOXQF-QFBILLFUSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](OC)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000728056386 1076323375 /nfs/dbraw/zinc/32/33/75/1076323375.db2.gz SNLNVQYJEOOXQF-QFBILLFUSA-N 1 2 403.479 1.977 20 0 HDADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](OC)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000728056386 1076323379 /nfs/dbraw/zinc/32/33/79/1076323379.db2.gz SNLNVQYJEOOXQF-QFBILLFUSA-N 1 2 403.479 1.977 20 0 HDADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[NH+]1CCOCC1 ZINC000728135300 1076340173 /nfs/dbraw/zinc/34/01/73/1076340173.db2.gz OLKXCSYVHVKVGI-LJQANCHMSA-N 1 2 422.501 1.074 20 0 HDADLO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](Cc2ccco2)CC1 ZINC000023467052 1076343532 /nfs/dbraw/zinc/34/35/32/1076343532.db2.gz BZOQDPOROPUKLQ-ZDUSSCGKSA-N 1 2 424.423 1.958 20 0 HDADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=S)NCCN1CCOCC1 ZINC000728178750 1076365843 /nfs/dbraw/zinc/36/58/43/1076365843.db2.gz UJQBWZKJYFHVTD-IBGZPJMESA-N 1 2 406.596 1.416 20 0 HDADLO CC(C)C1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3cnn(C)c3)CC1)C2=O ZINC000729988471 1076408488 /nfs/dbraw/zinc/40/84/88/1076408488.db2.gz JDHARDWWVREQET-UHFFFAOYSA-N 1 2 402.543 1.632 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)CC2)cn1 ZINC000729989449 1076408753 /nfs/dbraw/zinc/40/87/53/1076408753.db2.gz WBBSHXLFSNTCAA-HSZRJFAPSA-N 1 2 422.533 1.669 20 0 HDADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730213451 1076478814 /nfs/dbraw/zinc/47/88/14/1076478814.db2.gz LMFBSTDJOCLXGB-FOIQADDNSA-N 1 2 407.511 1.503 20 0 HDADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000730228671 1076485607 /nfs/dbraw/zinc/48/56/07/1076485607.db2.gz VTLHAHSMXPCHMN-MJGOQNOKSA-N 1 2 404.555 1.875 20 0 HDADLO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000730263485 1076505054 /nfs/dbraw/zinc/50/50/54/1076505054.db2.gz VGZKNOPNNOSTJY-INIZCTEOSA-N 1 2 407.511 1.962 20 0 HDADLO COc1ccc(CCNC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000730263485 1076505068 /nfs/dbraw/zinc/50/50/68/1076505068.db2.gz VGZKNOPNNOSTJY-INIZCTEOSA-N 1 2 407.511 1.962 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCCc4ccccc4C3)C2=O)c1 ZINC000730265573 1076506868 /nfs/dbraw/zinc/50/68/68/1076506868.db2.gz WVLHMSUZJRXDCP-QHCPKHFHSA-N 1 2 422.485 1.942 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCCc4ccccc4C3)C2=O)c1 ZINC000730265573 1076506874 /nfs/dbraw/zinc/50/68/74/1076506874.db2.gz WVLHMSUZJRXDCP-QHCPKHFHSA-N 1 2 422.485 1.942 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000730518219 1076584672 /nfs/dbraw/zinc/58/46/72/1076584672.db2.gz HDRVTNIVGVNLTG-UHFFFAOYSA-N 1 2 400.870 1.505 20 0 HDADLO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000730528290 1076589801 /nfs/dbraw/zinc/58/98/01/1076589801.db2.gz PMIFTNWDDGLVFS-HOTGVXAUSA-N 1 2 408.506 1.866 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571221 1076605787 /nfs/dbraw/zinc/60/57/87/1076605787.db2.gz OUSSWTAGENUHPM-DLBZAZTESA-N 1 2 423.583 1.509 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000730571221 1076605795 /nfs/dbraw/zinc/60/57/95/1076605795.db2.gz OUSSWTAGENUHPM-DLBZAZTESA-N 1 2 423.583 1.509 20 0 HDADLO C[C@@H](NC(=O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(=O)N1CCCCC1 ZINC000730573006 1076607110 /nfs/dbraw/zinc/60/71/10/1076607110.db2.gz UPZUFKSCFNUKOS-MRXNPFEDSA-N 1 2 410.559 1.835 20 0 HDADLO O=S(=O)(c1ccc(NC(=S)NCCNc2cccc[nH+]2)cc1)N1CCOCC1 ZINC000730594040 1076610544 /nfs/dbraw/zinc/61/05/44/1076610544.db2.gz ZIMSVIBYELAJEF-UHFFFAOYSA-N 1 2 421.548 1.501 20 0 HDADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000730833525 1076673944 /nfs/dbraw/zinc/67/39/44/1076673944.db2.gz MSQNTEOTCZRUDA-FKIZTMCRSA-N 1 2 420.469 1.475 20 0 HDADLO NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000730939455 1076698671 /nfs/dbraw/zinc/69/86/71/1076698671.db2.gz INIYSTJGMQBGPM-UHFFFAOYSA-N 1 2 409.458 1.613 20 0 HDADLO CC(=O)NC1(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000731257893 1076772185 /nfs/dbraw/zinc/77/21/85/1076772185.db2.gz BDRPLUICPXDKKK-UHFFFAOYSA-N 1 2 417.506 1.127 20 0 HDADLO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC001308119258 1126164327 /nfs/dbraw/zinc/16/43/27/1126164327.db2.gz ZASLKHOOSACDKD-AWEZNQCLSA-N 1 2 420.354 1.787 20 0 HDADLO CCc1ncc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)s1 ZINC000519837085 569016378 /nfs/dbraw/zinc/01/63/78/569016378.db2.gz SWKAZUUSCDQLHS-CQSZACIVSA-N 1 2 416.551 1.282 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)NC(C)(C)C)cn3)CC2)C1=O ZINC001164637968 719275073 /nfs/dbraw/zinc/27/50/73/719275073.db2.gz BRFDUQARZPVSKI-UHFFFAOYSA-N 1 2 417.554 1.369 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)NC(C)(C)C)cn3)CC2)C1=O ZINC001164637968 719275076 /nfs/dbraw/zinc/27/50/76/719275076.db2.gz BRFDUQARZPVSKI-UHFFFAOYSA-N 1 2 417.554 1.369 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4sc(C)nc43)CC2)C1=O ZINC001164642215 719275743 /nfs/dbraw/zinc/27/57/43/719275743.db2.gz YUMPPPNKXDPOOH-UHFFFAOYSA-N 1 2 424.958 1.808 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4sc(C)nc43)CC2)C1=O ZINC001164642215 719275745 /nfs/dbraw/zinc/27/57/45/719275745.db2.gz YUMPPPNKXDPOOH-UHFFFAOYSA-N 1 2 424.958 1.808 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c(OC)c1 ZINC001164640161 719276588 /nfs/dbraw/zinc/27/65/88/719276588.db2.gz OFSHNHLOLREURD-UHFFFAOYSA-N 1 2 420.510 1.026 20 0 HDADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c(OC)c1 ZINC001164640161 719276592 /nfs/dbraw/zinc/27/65/92/719276592.db2.gz OFSHNHLOLREURD-UHFFFAOYSA-N 1 2 420.510 1.026 20 0 HDADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164642176 719278788 /nfs/dbraw/zinc/27/87/88/719278788.db2.gz XWYOGCNVADJJSU-UHFFFAOYSA-N 1 2 411.934 1.426 20 0 HDADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164642176 719278792 /nfs/dbraw/zinc/27/87/92/719278792.db2.gz XWYOGCNVADJJSU-UHFFFAOYSA-N 1 2 411.934 1.426 20 0 HDADLO COc1cc2[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)ccc2c(OC)c1 ZINC001164684633 719589987 /nfs/dbraw/zinc/58/99/87/719589987.db2.gz IOMHRFPHSNMKIW-UHFFFAOYSA-N 1 2 410.478 1.696 20 0 HDADLO COC(=O)c1ccc(Cl)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164706520 719838819 /nfs/dbraw/zinc/83/88/19/719838819.db2.gz XNKMEKHROQOCFQ-DJJJIMSYSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2c1C(=O)OC2(C)C ZINC001164706763 719850727 /nfs/dbraw/zinc/85/07/27/719850727.db2.gz YWDZLGFWADGWQN-LHSJRXKWSA-N 1 2 403.479 1.720 20 0 HDADLO COCc1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc(SC)n1 ZINC001164700516 719853251 /nfs/dbraw/zinc/85/32/51/719853251.db2.gz HQRBHIHUBJIVTH-KXBFYZLASA-N 1 2 410.540 1.578 20 0 HDADLO COC(=O)c1ccc(Cl)c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164700059 719857221 /nfs/dbraw/zinc/85/72/21/719857221.db2.gz GAQHTCXLZIAIQC-DJJJIMSYSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)nc(N(C)C)n1 ZINC001164702480 719859798 /nfs/dbraw/zinc/85/97/98/719859798.db2.gz NKLCIMRACPYQGU-MGPUTAFESA-N 1 2 406.531 1.294 20 0 HDADLO CCOC(=O)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(OC)c1 ZINC001164702495 719860137 /nfs/dbraw/zinc/86/01/37/719860137.db2.gz NLNFDZGKVRVLHQ-HRAATJIYSA-N 1 2 421.494 1.500 20 0 HDADLO CCOC(=O)/C=C/c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164700979 719860975 /nfs/dbraw/zinc/86/09/75/719860975.db2.gz IZHTVRNUAQAPJC-LFXIQIKPSA-N 1 2 417.506 1.891 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-n2cnc(C)c2)nn1 ZINC001164706366 719862115 /nfs/dbraw/zinc/86/21/15/719862115.db2.gz WPOZMVLJHFFPAI-OXJNMPFZSA-N 1 2 400.483 1.203 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NC(C)(C)C)ccn1 ZINC001164707025 719862645 /nfs/dbraw/zinc/86/26/45/719862645.db2.gz ZXFFSDPZSOXQJS-HTAPYJJXSA-N 1 2 418.538 1.843 20 0 HDADLO COC(=O)CSc1cccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164700583 719864307 /nfs/dbraw/zinc/86/43/07/719864307.db2.gz DYODVMWMLSHIQK-YWZLYKJASA-N 1 2 423.535 1.579 20 0 HDADLO CCCNC(=O)c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164699090 719869309 /nfs/dbraw/zinc/86/93/09/719869309.db2.gz ADEMLVZKBKNQNT-LAUBAEHRSA-N 1 2 404.511 1.454 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164709506 719904901 /nfs/dbraw/zinc/90/49/01/719904901.db2.gz XCXRKFJQGGNOBW-UHFFFAOYSA-N 1 2 414.901 1.295 20 0 HDADLO C=C(OCC)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164709454 719908775 /nfs/dbraw/zinc/90/87/75/719908775.db2.gz VBYYTNCTFVXMTC-UHFFFAOYSA-N 1 2 411.510 1.168 20 0 HDADLO Cc1[nH]c2nc[nH+]c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c2c1C ZINC001164708737 719911102 /nfs/dbraw/zinc/91/11/02/719911102.db2.gz JQZPUSYJEGKJHJ-UHFFFAOYSA-N 1 2 408.510 1.259 20 0 HDADLO Cc1cccc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164709221 719911228 /nfs/dbraw/zinc/91/12/28/719911228.db2.gz QWMODROIMDJNLM-UHFFFAOYSA-N 1 2 405.506 1.622 20 0 HDADLO COc1cccc2cnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc21 ZINC001164709349 719911604 /nfs/dbraw/zinc/91/16/04/719911604.db2.gz UCBWRUSXGHTKLL-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO CSc1nc(Cl)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164703221 719931381 /nfs/dbraw/zinc/93/13/81/719931381.db2.gz JIXUHTYAELOIEC-UHFFFAOYSA-N 1 2 421.958 1.536 20 0 HDADLO COc1nc2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164705548 720047260 /nfs/dbraw/zinc/04/72/60/720047260.db2.gz ZZSYNOSQGFKUJC-UHFFFAOYSA-N 1 2 421.505 1.322 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncn3)C2)C1 ZINC001164719748 720208426 /nfs/dbraw/zinc/20/84/26/720208426.db2.gz TUWUTYQVXQFMFF-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncn3)C2)C1 ZINC001164719748 720208438 /nfs/dbraw/zinc/20/84/38/720208438.db2.gz TUWUTYQVXQFMFF-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)n3)C2)C1 ZINC001164719259 720208715 /nfs/dbraw/zinc/20/87/15/720208715.db2.gz PRHPDXVOGUSBFE-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)n3)C2)C1 ZINC001164719259 720208721 /nfs/dbraw/zinc/20/87/21/720208721.db2.gz PRHPDXVOGUSBFE-MRXNPFEDSA-N 1 2 403.861 1.340 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164718690 720243982 /nfs/dbraw/zinc/24/39/82/720243982.db2.gz HBKMYOPCSPIRBF-JOCHJYFZSA-N 1 2 413.497 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164718690 720243988 /nfs/dbraw/zinc/24/39/88/720243988.db2.gz HBKMYOPCSPIRBF-JOCHJYFZSA-N 1 2 413.497 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(Cl)cccc4n3)C2)C1 ZINC001164718346 720258112 /nfs/dbraw/zinc/25/81/12/720258112.db2.gz FEARJJOKPRPMFB-HXUWFJFHSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(Cl)cccc4n3)C2)C1 ZINC001164718346 720258120 /nfs/dbraw/zinc/25/81/20/720258120.db2.gz FEARJJOKPRPMFB-HXUWFJFHSA-N 1 2 403.914 1.948 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(N)cc(Cl)n3)C2)C1 ZINC001164720129 720259802 /nfs/dbraw/zinc/25/98/02/720259802.db2.gz RRHMNNANJFROCY-KRWDZBQOSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(N)cc(Cl)n3)C2)C1 ZINC001164720129 720259814 /nfs/dbraw/zinc/25/98/14/720259814.db2.gz RRHMNNANJFROCY-KRWDZBQOSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccnc3Oc3ccccc3)C2)C1 ZINC001164722256 720298964 /nfs/dbraw/zinc/29/89/64/720298964.db2.gz OZKKVECIJZASPH-JOCHJYFZSA-N 1 2 411.506 1.934 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccnc3Oc3ccccc3)C2)C1 ZINC001164722256 720298972 /nfs/dbraw/zinc/29/89/72/720298972.db2.gz OZKKVECIJZASPH-JOCHJYFZSA-N 1 2 411.506 1.934 20 0 HDADLO COc1ncc(F)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164825746 720367803 /nfs/dbraw/zinc/36/78/03/720367803.db2.gz UNOKTMCUGUOSGR-UHFFFAOYSA-N 1 2 420.514 1.702 20 0 HDADLO COc1ncc(F)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164825746 720367807 /nfs/dbraw/zinc/36/78/07/720367807.db2.gz UNOKTMCUGUOSGR-UHFFFAOYSA-N 1 2 420.514 1.702 20 0 HDADLO Cc1nc2[nH]ccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824659 720439726 /nfs/dbraw/zinc/43/97/26/720439726.db2.gz OWLPGGDCWBRWCF-INIZCTEOSA-N 1 2 411.510 1.452 20 0 HDADLO CC(C)c1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833049 720461650 /nfs/dbraw/zinc/46/16/50/720461650.db2.gz XIOWXRHIKZGPRA-KRWDZBQOSA-N 1 2 400.527 1.786 20 0 HDADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)c3cc[nH]c31)C2 ZINC001164831303 720465855 /nfs/dbraw/zinc/46/58/55/720465855.db2.gz OLWKZNBEUYTBQL-HNNXBMFYSA-N 1 2 414.485 1.888 20 0 HDADLO COCc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832686 720472865 /nfs/dbraw/zinc/47/28/65/720472865.db2.gz VPZATFFCHHFGCB-SFHVURJKSA-N 1 2 401.511 1.414 20 0 HDADLO Cc1noc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164834149 720476499 /nfs/dbraw/zinc/47/64/99/720476499.db2.gz SEWQUPRRYRSTLE-HNNXBMFYSA-N 1 2 413.482 1.112 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@H](F)Oc1cncc(Cl)n1)C2 ZINC001164858658 720896859 /nfs/dbraw/zinc/89/68/59/720896859.db2.gz NBHRTYVIARXDBP-KRWDZBQOSA-N 1 2 405.821 1.469 20 0 HDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870096 721042593 /nfs/dbraw/zinc/04/25/93/721042593.db2.gz VSLDREQCNRHMAK-GJZGRUSLSA-N 1 2 423.926 1.408 20 0 HDADLO CS(=O)(=O)c1nc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870096 721042597 /nfs/dbraw/zinc/04/25/97/721042597.db2.gz VSLDREQCNRHMAK-GJZGRUSLSA-N 1 2 423.926 1.408 20 0 HDADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4S(=O)(=O)CC5)C[C@@H]3C2)cn1 ZINC001164767995 721242317 /nfs/dbraw/zinc/24/23/17/721242317.db2.gz XKRBSRZFUJNJQL-KGLIPLIRSA-N 1 2 422.942 1.152 20 0 HDADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4S(=O)(=O)CC5)C[C@@H]3C2)cn1 ZINC001164767995 721242321 /nfs/dbraw/zinc/24/23/21/721242321.db2.gz XKRBSRZFUJNJQL-KGLIPLIRSA-N 1 2 422.942 1.152 20 0 HDADLO COC(=O)c1cc2c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH]cnc-2n1 ZINC001164802491 721534765 /nfs/dbraw/zinc/53/47/65/721534765.db2.gz GMNZUAPNLJGDPY-QYZOEREBSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)[nH]cnc-2n1 ZINC001164802491 721534768 /nfs/dbraw/zinc/53/47/68/721534768.db2.gz GMNZUAPNLJGDPY-QYZOEREBSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(ncnc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH]1 ZINC001164802491 721534770 /nfs/dbraw/zinc/53/47/70/721534770.db2.gz GMNZUAPNLJGDPY-QYZOEREBSA-N 1 2 422.489 1.959 20 0 HDADLO COC(=O)c1cc2c(ncnc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH]1 ZINC001164802491 721534774 /nfs/dbraw/zinc/53/47/74/721534774.db2.gz GMNZUAPNLJGDPY-QYZOEREBSA-N 1 2 422.489 1.959 20 0 HDADLO COC(OC)c1c(CO)ccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008621 721710246 /nfs/dbraw/zinc/71/02/46/721710246.db2.gz IWYZHSZHHIBKEZ-UHFFFAOYSA-N 1 2 404.515 1.707 20 0 HDADLO COC(OC)c1c(CO)ccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008621 721710252 /nfs/dbraw/zinc/71/02/52/721710252.db2.gz IWYZHSZHHIBKEZ-UHFFFAOYSA-N 1 2 404.515 1.707 20 0 HDADLO CCNS(=O)(=O)c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008334 721714437 /nfs/dbraw/zinc/71/44/37/721714437.db2.gz FDVPQBCPYHHHSJ-UHFFFAOYSA-N 1 2 407.544 1.222 20 0 HDADLO CCNS(=O)(=O)c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1 ZINC001165008334 721714444 /nfs/dbraw/zinc/71/44/44/721714444.db2.gz FDVPQBCPYHHHSJ-UHFFFAOYSA-N 1 2 407.544 1.222 20 0 HDADLO CC1(C)OC(=O)c2c1ccnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912387 721779294 /nfs/dbraw/zinc/77/92/94/721779294.db2.gz LGGWXTVQKWNUIN-QHCPKHFHSA-N 1 2 424.501 1.990 20 0 HDADLO CC1(C)OC(=O)c2c1ccnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912387 721779299 /nfs/dbraw/zinc/77/92/99/721779299.db2.gz LGGWXTVQKWNUIN-QHCPKHFHSA-N 1 2 424.501 1.990 20 0 HDADLO C[C@H]1CC(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915213 721784029 /nfs/dbraw/zinc/78/40/29/721784029.db2.gz KJXJDICGEBACOD-KSFYIVLOSA-N 1 2 424.505 1.425 20 0 HDADLO C[C@H]1CC(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915213 721784032 /nfs/dbraw/zinc/78/40/32/721784032.db2.gz KJXJDICGEBACOD-KSFYIVLOSA-N 1 2 424.505 1.425 20 0 HDADLO Nc1cc(F)c(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917487 721791046 /nfs/dbraw/zinc/79/10/46/721791046.db2.gz XOXODXIOWXYNHG-LJQANCHMSA-N 1 2 407.877 1.959 20 0 HDADLO Nc1cc(F)c(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917487 721791048 /nfs/dbraw/zinc/79/10/48/721791048.db2.gz XOXODXIOWXYNHG-LJQANCHMSA-N 1 2 407.877 1.959 20 0 HDADLO Cc1noc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2)n1 ZINC001164913763 721795782 /nfs/dbraw/zinc/79/57/82/721795782.db2.gz GZIWJZHNAZPHEI-JOCHJYFZSA-N 1 2 422.489 1.943 20 0 HDADLO Cc1noc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2)n1 ZINC001164913763 721795786 /nfs/dbraw/zinc/79/57/86/721795786.db2.gz GZIWJZHNAZPHEI-JOCHJYFZSA-N 1 2 422.489 1.943 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc3c(n2)N2CCC[C@@H]2C(=O)N3C)CC1 ZINC001164917915 721816128 /nfs/dbraw/zinc/81/61/28/721816128.db2.gz QHDQOMUOXOYZQU-MRXNPFEDSA-N 1 2 422.537 1.368 20 0 HDADLO COC(=O)c1nc2cnccc2c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917215 721816674 /nfs/dbraw/zinc/81/66/74/721816674.db2.gz DQKGSCVHEVNRCT-UHFFFAOYSA-N 1 2 407.478 1.757 20 0 HDADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1 ZINC001164918692 721818850 /nfs/dbraw/zinc/81/88/50/721818850.db2.gz RHRRPGPAFMFETK-UHFFFAOYSA-N 1 2 404.540 1.326 20 0 HDADLO COCCn1ccc2c1nc[nH+]c2N1CCN(Cc2nc(OC)cc(OC)n2)CC1 ZINC001165030884 721848422 /nfs/dbraw/zinc/84/84/22/721848422.db2.gz WWNQDZPZRQYCJT-UHFFFAOYSA-N 1 2 413.482 1.207 20 0 HDADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1OC ZINC001164945974 721970156 /nfs/dbraw/zinc/97/01/56/721970156.db2.gz VHTVMGWIKGNLAZ-UHFFFAOYSA-N 1 2 424.501 1.848 20 0 HDADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1OC ZINC001164945974 721970158 /nfs/dbraw/zinc/97/01/58/721970158.db2.gz VHTVMGWIKGNLAZ-UHFFFAOYSA-N 1 2 424.501 1.848 20 0 HDADLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945725 721971824 /nfs/dbraw/zinc/97/18/24/721971824.db2.gz RGFISQQBBUQQLV-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945725 721971827 /nfs/dbraw/zinc/97/18/27/721971827.db2.gz RGFISQQBBUQQLV-UHFFFAOYSA-N 1 2 423.517 1.933 20 0 HDADLO CCOC(=O)Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164948152 721975004 /nfs/dbraw/zinc/97/50/04/721975004.db2.gz UQNLLPAZNRQPIW-UHFFFAOYSA-N 1 2 423.517 1.553 20 0 HDADLO CCOC(=O)Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164948152 721975006 /nfs/dbraw/zinc/97/50/06/721975006.db2.gz UQNLLPAZNRQPIW-UHFFFAOYSA-N 1 2 423.517 1.553 20 0 HDADLO NC(=S)Nc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164948922 721979992 /nfs/dbraw/zinc/97/99/92/721979992.db2.gz NGXKXQQFVZOODJ-UHFFFAOYSA-N 1 2 410.547 1.708 20 0 HDADLO NC(=S)Nc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164948922 721979994 /nfs/dbraw/zinc/97/99/94/721979994.db2.gz NGXKXQQFVZOODJ-UHFFFAOYSA-N 1 2 410.547 1.708 20 0 HDADLO CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429040546 1073459175 /nfs/dbraw/zinc/45/91/75/1073459175.db2.gz INVXKQJNIUYWHM-OALUTQOASA-N 1 2 409.552 1.496 20 0 HDADLO CCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000429040546 1073459181 /nfs/dbraw/zinc/45/91/81/1073459181.db2.gz INVXKQJNIUYWHM-OALUTQOASA-N 1 2 409.552 1.496 20 0 HDADLO COc1ccc([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cc1 ZINC000624252081 1073466918 /nfs/dbraw/zinc/46/69/18/1073466918.db2.gz DRCNEOWYTYAXIK-MOPGFXCFSA-N 1 2 401.507 1.192 20 0 HDADLO Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001004559676 1073477006 /nfs/dbraw/zinc/47/70/06/1073477006.db2.gz NOVSAWYOKFWESC-HVNMYJMUSA-N 1 2 402.886 1.770 20 0 HDADLO Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001004559676 1073477011 /nfs/dbraw/zinc/47/70/11/1073477011.db2.gz NOVSAWYOKFWESC-HVNMYJMUSA-N 1 2 402.886 1.770 20 0 HDADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000671396505 1073483278 /nfs/dbraw/zinc/48/32/78/1073483278.db2.gz KGABASGODXWHMN-SFHVURJKSA-N 1 2 412.465 1.723 20 0 HDADLO CC(=O)N1CCc2cc(S(=O)(=O)NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)ccc21 ZINC000014098807 1073483365 /nfs/dbraw/zinc/48/33/65/1073483365.db2.gz BFVUFTVSXVGBPP-GJZGRUSLSA-N 1 2 409.552 1.762 20 0 HDADLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(I)c(F)cc1F ZINC001299281958 1073512252 /nfs/dbraw/zinc/51/22/52/1073512252.db2.gz VEDONJIQSAYXHC-VIFPVBQESA-N 1 2 410.202 1.708 20 0 HDADLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(I)c(F)cc1F ZINC001299281958 1073512264 /nfs/dbraw/zinc/51/22/64/1073512264.db2.gz VEDONJIQSAYXHC-VIFPVBQESA-N 1 2 410.202 1.708 20 0 HDADLO CCOC1CC(CNC(=O)NCc2cn(C)nc2C(F)(F)F)([NH+]2CCOCC2)C1 ZINC000429098560 1073571305 /nfs/dbraw/zinc/57/13/05/1073571305.db2.gz ZIGYYZHTFXEGPX-UHFFFAOYSA-N 1 2 419.448 1.508 20 0 HDADLO CCOC1CC(CNC(=O)NCCc2ccc(C(=O)OC)cc2)([NH+]2CCOCC2)C1 ZINC000429107035 1073593763 /nfs/dbraw/zinc/59/37/63/1073593763.db2.gz YOHHERYQTMYQHF-UHFFFAOYSA-N 1 2 419.522 1.585 20 0 HDADLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)Cc3nnc4ccccn43)CC2)cc1 ZINC000673711394 1073650695 /nfs/dbraw/zinc/65/06/95/1073650695.db2.gz BKEUPPIAKULUMT-UHFFFAOYSA-N 1 2 408.506 1.514 20 0 HDADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c(C)c1 ZINC000509129531 1073679504 /nfs/dbraw/zinc/67/95/04/1073679504.db2.gz XJGALVLJZUJLCY-SJLPKXTDSA-N 1 2 406.508 1.354 20 0 HDADLO COc1c(F)cc(CC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1S(N)(=O)=O ZINC000673747140 1073681383 /nfs/dbraw/zinc/68/13/83/1073681383.db2.gz JRTYLYUXKKOGNY-UHFFFAOYSA-N 1 2 420.466 1.339 20 0 HDADLO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673747460 1073681480 /nfs/dbraw/zinc/68/14/80/1073681480.db2.gz ORRVOPYTSGMSED-SFHVURJKSA-N 1 2 404.478 1.590 20 0 HDADLO Cc1cccn2cc(CCNC(=O)c3cc(C4CC4)nc4c3c(=O)[nH]c(=O)n4C)[nH+]c12 ZINC000673746710 1073682341 /nfs/dbraw/zinc/68/23/41/1073682341.db2.gz DHUJGCUUBWOPND-UHFFFAOYSA-N 1 2 418.457 1.840 20 0 HDADLO C[C@H]1C[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)Cc2ccccc2O1 ZINC000429121280 1073689003 /nfs/dbraw/zinc/68/90/03/1073689003.db2.gz FNOKSFVUYJJUHS-INIZCTEOSA-N 1 2 421.505 1.295 20 0 HDADLO C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)Cc2ccccc2O1 ZINC000429121280 1073689008 /nfs/dbraw/zinc/68/90/08/1073689008.db2.gz FNOKSFVUYJJUHS-INIZCTEOSA-N 1 2 421.505 1.295 20 0 HDADLO Cc1cc(N2CCC(NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)n[nH]1 ZINC000429124641 1073695975 /nfs/dbraw/zinc/69/59/75/1073695975.db2.gz WGZMCOSRNIRVIG-LJQANCHMSA-N 1 2 408.572 1.194 20 0 HDADLO CCS(=O)(=O)N(C)C1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673780188 1073715225 /nfs/dbraw/zinc/71/52/25/1073715225.db2.gz TZWGWEJBDWJUNF-UHFFFAOYSA-N 1 2 407.540 1.641 20 0 HDADLO O=C(Nc1cccc(OCC(F)(F)F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781612 1073715683 /nfs/dbraw/zinc/71/56/83/1073715683.db2.gz BPANGYIMEAFSIE-MRXNPFEDSA-N 1 2 415.412 1.889 20 0 HDADLO O=C(Nc1cccc(OC(F)(F)F)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781938 1073719952 /nfs/dbraw/zinc/71/99/52/1073719952.db2.gz KUASPRRHOGEXBI-OAHLLOKOSA-N 1 2 401.385 1.847 20 0 HDADLO COCCCOc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784764 1073726144 /nfs/dbraw/zinc/72/61/44/1073726144.db2.gz KBZCNPIUTDTPFE-QGZVFWFLSA-N 1 2 405.495 1.364 20 0 HDADLO O=C(Nc1ccc(-c2csnn2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785545 1073726889 /nfs/dbraw/zinc/72/68/89/1073726889.db2.gz SRGINUMAGNTAIW-MRXNPFEDSA-N 1 2 401.492 1.467 20 0 HDADLO CCCC(=O)Nc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000673784855 1073729877 /nfs/dbraw/zinc/72/98/77/1073729877.db2.gz LWCWDECDMBRHBD-KRWDZBQOSA-N 1 2 416.522 1.995 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4C)[nH+]c12 ZINC000673786128 1073731877 /nfs/dbraw/zinc/73/18/77/1073731877.db2.gz BUOSTRPCUWVOPR-UHFFFAOYSA-N 1 2 405.458 1.849 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)[nH+]c12 ZINC000673787731 1073741254 /nfs/dbraw/zinc/74/12/54/1073741254.db2.gz WHTOSLKFQPAKBN-UHFFFAOYSA-N 1 2 407.430 1.295 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccccc3CS(C)(=O)=O)[nH+]c12 ZINC000673787864 1073742956 /nfs/dbraw/zinc/74/29/56/1073742956.db2.gz BPRKSDWTTGNSJG-UHFFFAOYSA-N 1 2 414.487 1.485 20 0 HDADLO CS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1Cl ZINC000429137904 1073747191 /nfs/dbraw/zinc/74/71/91/1073747191.db2.gz UMJMJCZELKFBKI-HNNXBMFYSA-N 1 2 415.943 1.750 20 0 HDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429158221 1073868403 /nfs/dbraw/zinc/86/84/03/1073868403.db2.gz XDRRGKQNEDTDCU-HUUCEWRRSA-N 1 2 415.515 1.895 20 0 HDADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429158221 1073868411 /nfs/dbraw/zinc/86/84/11/1073868411.db2.gz XDRRGKQNEDTDCU-HUUCEWRRSA-N 1 2 415.515 1.895 20 0 HDADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cn[nH]c2)cc1S(=O)(=O)N1CCOCC1 ZINC000673928132 1073898568 /nfs/dbraw/zinc/89/85/68/1073898568.db2.gz YOVXXDQFRQNBFT-OAHLLOKOSA-N 1 2 421.523 1.198 20 0 HDADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cn[nH]c2)cc1S(=O)(=O)N1CCOCC1 ZINC000673928132 1073898578 /nfs/dbraw/zinc/89/85/78/1073898578.db2.gz YOVXXDQFRQNBFT-OAHLLOKOSA-N 1 2 421.523 1.198 20 0 HDADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000673933822 1073905810 /nfs/dbraw/zinc/90/58/10/1073905810.db2.gz DKGIVDNROMHIQI-HNNXBMFYSA-N 1 2 421.494 1.757 20 0 HDADLO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000030132729 1073917242 /nfs/dbraw/zinc/91/72/42/1073917242.db2.gz INLIKEYKQRNJBI-CQSZACIVSA-N 1 2 402.561 1.327 20 0 HDADLO C[C@@H](CNC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000429171126 1073932416 /nfs/dbraw/zinc/93/24/16/1073932416.db2.gz ZNIFXYYRPXTJPG-INIZCTEOSA-N 1 2 404.511 1.780 20 0 HDADLO CNC(=O)Cc1nc(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cs1 ZINC000673970915 1073956232 /nfs/dbraw/zinc/95/62/32/1073956232.db2.gz KMETXARQQUQDMQ-INIZCTEOSA-N 1 2 413.507 1.040 20 0 HDADLO CNC(=O)Cc1nc(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cs1 ZINC000673970915 1073956234 /nfs/dbraw/zinc/95/62/34/1073956234.db2.gz KMETXARQQUQDMQ-INIZCTEOSA-N 1 2 413.507 1.040 20 0 HDADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000484379195 1073962834 /nfs/dbraw/zinc/96/28/34/1073962834.db2.gz AZJXVNMKKZVPAX-UHFFFAOYSA-N 1 2 401.511 1.054 20 0 HDADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000484379195 1073962836 /nfs/dbraw/zinc/96/28/36/1073962836.db2.gz AZJXVNMKKZVPAX-UHFFFAOYSA-N 1 2 401.511 1.054 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c(C)nnc2N2CC[C@H](OCCOC)C2)nc[nH+]1 ZINC001299290546 1073974822 /nfs/dbraw/zinc/97/48/22/1073974822.db2.gz LCNSQIMQWUQCOE-SJORKVTESA-N 1 2 416.530 1.329 20 0 HDADLO CNc1cc(N2CCC[C@@H]2Cn2c(C)nnc2N2CC[C@H](OCCOC)C2)[nH+]cn1 ZINC001299290546 1073974824 /nfs/dbraw/zinc/97/48/24/1073974824.db2.gz LCNSQIMQWUQCOE-SJORKVTESA-N 1 2 416.530 1.329 20 0 HDADLO CNS(=O)(=O)c1csc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000673988383 1074003338 /nfs/dbraw/zinc/00/33/38/1074003338.db2.gz ORBFECKILDHOGW-UHFFFAOYSA-N 1 2 422.532 1.296 20 0 HDADLO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543525569 1074005600 /nfs/dbraw/zinc/00/56/00/1074005600.db2.gz JPHJWSDNPKZJBM-KRWDZBQOSA-N 1 2 416.522 1.085 20 0 HDADLO CCc1cc(N2CCC(NC(=O)C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)CC2)ncn1 ZINC000673986396 1074006384 /nfs/dbraw/zinc/00/63/84/1074006384.db2.gz LQAMXKWGJHXSQI-UHFFFAOYSA-N 1 2 411.510 1.253 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)c1C ZINC000543527888 1074015740 /nfs/dbraw/zinc/01/57/40/1074015740.db2.gz TZLNCBSFNBZKJZ-UHFFFAOYSA-N 1 2 410.434 1.279 20 0 HDADLO O=C(CCNC(=O)C1([C@@H]2CCCCO2)CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC001626092701 1074031002 /nfs/dbraw/zinc/03/10/02/1074031002.db2.gz AWWAFLHRXBNKEO-SFHVURJKSA-N 1 2 400.523 1.976 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000509194196 1074043538 /nfs/dbraw/zinc/04/35/38/1074043538.db2.gz FLMBVJRLRDLMEU-CABCVRRESA-N 1 2 403.570 1.430 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000509194196 1074043545 /nfs/dbraw/zinc/04/35/45/1074043545.db2.gz FLMBVJRLRDLMEU-CABCVRRESA-N 1 2 403.570 1.430 20 0 HDADLO O=C(Cc1cc(C(F)(F)F)ccn1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001626092809 1074048334 /nfs/dbraw/zinc/04/83/34/1074048334.db2.gz CXTUKNJDTPDUTJ-UHFFFAOYSA-N 1 2 421.423 1.893 20 0 HDADLO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ncc(C)s2)cc1S(=O)(=O)N(C)C ZINC000543541118 1074054533 /nfs/dbraw/zinc/05/45/33/1074054533.db2.gz CWFQISUGIXWYFD-GFCCVEGCSA-N 1 2 412.537 2.000 20 0 HDADLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N3CCN(C(C)=O)CC3)n2)c1 ZINC000543544484 1074056676 /nfs/dbraw/zinc/05/66/76/1074056676.db2.gz PZYUXNYXNKAOQP-UONOGXRCSA-N 1 2 401.467 1.475 20 0 HDADLO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000543548354 1074063646 /nfs/dbraw/zinc/06/36/46/1074063646.db2.gz JJOHSCVDCJRISC-INIZCTEOSA-N 1 2 422.576 1.776 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000509198482 1074066222 /nfs/dbraw/zinc/06/62/22/1074066222.db2.gz SZTAPIKHCQSUFF-LSDHHAIUSA-N 1 2 403.570 1.430 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000509198482 1074066231 /nfs/dbraw/zinc/06/62/31/1074066231.db2.gz SZTAPIKHCQSUFF-LSDHHAIUSA-N 1 2 403.570 1.430 20 0 HDADLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000543554763 1074085117 /nfs/dbraw/zinc/08/51/17/1074085117.db2.gz YCQHDNFZXHJBJC-XMSQKQJNSA-N 1 2 403.523 1.678 20 0 HDADLO CC(C)[C@@H](NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1)c1ccc2c(c1)OCCCO2 ZINC000543554763 1074085129 /nfs/dbraw/zinc/08/51/29/1074085129.db2.gz YCQHDNFZXHJBJC-XMSQKQJNSA-N 1 2 403.523 1.678 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2)cc[nH+]1 ZINC000543562754 1074114800 /nfs/dbraw/zinc/11/48/00/1074114800.db2.gz VOFGEJPQRLEECZ-LJQANCHMSA-N 1 2 409.490 1.861 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@]2(C)CCCC[C@H]2O)CC1 ZINC000674040202 1074123699 /nfs/dbraw/zinc/12/36/99/1074123699.db2.gz LWHVJPMOZWFQPM-GCJKJVERSA-N 1 2 416.522 1.070 20 0 HDADLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1S(=O)(=O)N(C)C ZINC000674203658 1074219007 /nfs/dbraw/zinc/21/90/07/1074219007.db2.gz NQKQPMFWXQEKSC-MRXNPFEDSA-N 1 2 419.507 1.244 20 0 HDADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCC[C@H](CCO)C3)cc2)CC1 ZINC000674205625 1074220853 /nfs/dbraw/zinc/22/08/53/1074220853.db2.gz IXGBZDCCZYTNBJ-GOSISDBHSA-N 1 2 402.539 1.384 20 0 HDADLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Nc3cnn(CC(=O)NCCO)c3)n2)C1 ZINC000429223851 1074247148 /nfs/dbraw/zinc/24/71/48/1074247148.db2.gz AHCHCDLPAAEBHI-CYBMUJFWSA-N 1 2 421.527 1.324 20 0 HDADLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Nc3cnn(CC(=O)NCCO)c3)n2)C1 ZINC000429223851 1074247154 /nfs/dbraw/zinc/24/71/54/1074247154.db2.gz AHCHCDLPAAEBHI-CYBMUJFWSA-N 1 2 421.527 1.324 20 0 HDADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000674407210 1074316333 /nfs/dbraw/zinc/31/63/33/1074316333.db2.gz UUFQHSUZKMJHMI-UHFFFAOYSA-N 1 2 422.682 1.971 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)CCN2C1=O ZINC000674467221 1074364632 /nfs/dbraw/zinc/36/46/32/1074364632.db2.gz COWKKUKMLINFKR-PKOBYXMFSA-N 1 2 402.495 1.477 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)CCN2C1=O ZINC000674467221 1074364640 /nfs/dbraw/zinc/36/46/40/1074364640.db2.gz COWKKUKMLINFKR-PKOBYXMFSA-N 1 2 402.495 1.477 20 0 HDADLO COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000674477362 1074373774 /nfs/dbraw/zinc/37/37/74/1074373774.db2.gz RVQJUDUKKDHEHS-UHFFFAOYSA-N 1 2 423.473 1.651 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N(C)CCOc3cc(C)cc(C)c3)CCN2C1=O ZINC000674500500 1074395435 /nfs/dbraw/zinc/39/54/35/1074395435.db2.gz ABTOVWBQNVYECT-GOSISDBHSA-N 1 2 402.495 1.109 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N(C)CCOc3cc(C)cc(C)c3)CCN2C1=O ZINC000674500500 1074395444 /nfs/dbraw/zinc/39/54/44/1074395444.db2.gz ABTOVWBQNVYECT-GOSISDBHSA-N 1 2 402.495 1.109 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)CCN2C1=O ZINC000674500518 1074395924 /nfs/dbraw/zinc/39/59/24/1074395924.db2.gz AKBSOUCPCCVRLR-SFHVURJKSA-N 1 2 400.523 1.611 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)CCN2C1=O ZINC000674500518 1074395931 /nfs/dbraw/zinc/39/59/31/1074395931.db2.gz AKBSOUCPCCVRLR-SFHVURJKSA-N 1 2 400.523 1.611 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)CCN2CCCS2(=O)=O)cc1OC ZINC000674497187 1074407152 /nfs/dbraw/zinc/40/71/52/1074407152.db2.gz XWCJVFVMXXCUAK-HNNXBMFYSA-N 1 2 413.540 1.018 20 0 HDADLO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)CCN2CCCS2(=O)=O)cc1OC ZINC000674497187 1074407164 /nfs/dbraw/zinc/40/71/64/1074407164.db2.gz XWCJVFVMXXCUAK-HNNXBMFYSA-N 1 2 413.540 1.018 20 0 HDADLO O=C(NCc1c(F)c(F)cc(F)c1F)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000674544663 1074426739 /nfs/dbraw/zinc/42/67/39/1074426739.db2.gz IXKNPRSKTFFMGI-LLVKDONJSA-N 1 2 403.376 1.040 20 0 HDADLO CCn1nc2c(cc1=O)CN(C(=O)NC[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000674609254 1074477806 /nfs/dbraw/zinc/47/78/06/1074477806.db2.gz SPIBIHZBBGRPBH-LJQANCHMSA-N 1 2 411.506 1.232 20 0 HDADLO CCn1nc2c(cc1=O)CN(C(=O)NC[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000674609254 1074477809 /nfs/dbraw/zinc/47/78/09/1074477809.db2.gz SPIBIHZBBGRPBH-LJQANCHMSA-N 1 2 411.506 1.232 20 0 HDADLO CC[C@@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)C(=O)N1CCOCC1 ZINC000674647238 1074503920 /nfs/dbraw/zinc/50/39/20/1074503920.db2.gz IUVCIZVRRVFSBX-LJQANCHMSA-N 1 2 418.538 1.468 20 0 HDADLO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2cccc3c2OCO3)C1 ZINC000509234091 1074509065 /nfs/dbraw/zinc/50/90/65/1074509065.db2.gz MGKKBRAOCIHPMG-HNNXBMFYSA-N 1 2 417.487 1.913 20 0 HDADLO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NS(=O)(=O)c2cccc3c2OCO3)C1 ZINC000509234091 1074509071 /nfs/dbraw/zinc/50/90/71/1074509071.db2.gz MGKKBRAOCIHPMG-HNNXBMFYSA-N 1 2 417.487 1.913 20 0 HDADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 ZINC001128800317 1074540713 /nfs/dbraw/zinc/54/07/13/1074540713.db2.gz KUHPSOPQTVLWAD-HOTGVXAUSA-N 1 2 422.530 1.128 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)c3cc(C)n(-c4nccs4)c3C)CCN2C1=O ZINC000674754422 1074548495 /nfs/dbraw/zinc/54/84/95/1074548495.db2.gz NWWZGKPHGLVOIW-OAHLLOKOSA-N 1 2 401.492 1.702 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)c3cc(C)n(-c4nccs4)c3C)CCN2C1=O ZINC000674754422 1074548501 /nfs/dbraw/zinc/54/85/01/1074548501.db2.gz NWWZGKPHGLVOIW-OAHLLOKOSA-N 1 2 401.492 1.702 20 0 HDADLO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000674785677 1074564940 /nfs/dbraw/zinc/56/49/40/1074564940.db2.gz HJJLWYWTSRNJOC-SJLPKXTDSA-N 1 2 412.527 1.949 20 0 HDADLO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000674785677 1074564951 /nfs/dbraw/zinc/56/49/51/1074564951.db2.gz HJJLWYWTSRNJOC-SJLPKXTDSA-N 1 2 412.527 1.949 20 0 HDADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH+]3CCC(OCCCO)CC3)nc2c1 ZINC000674914329 1074612333 /nfs/dbraw/zinc/61/23/33/1074612333.db2.gz XEZVCQBMAWAAKH-UHFFFAOYSA-N 1 2 424.567 1.957 20 0 HDADLO O=C(CN1CCO[C@H]([C@H]2CCCO2)C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000674910756 1074615269 /nfs/dbraw/zinc/61/52/69/1074615269.db2.gz WBPNZVJISIVNGF-YADHBBJMSA-N 1 2 415.534 1.146 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674921299 1074622498 /nfs/dbraw/zinc/62/24/98/1074622498.db2.gz CORFCNCEFKZCPQ-RTWAWAEBSA-N 1 2 419.522 1.487 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000674975736 1074649755 /nfs/dbraw/zinc/64/97/55/1074649755.db2.gz NUROGRKFWATEKQ-RBUKOAKNSA-N 1 2 402.495 1.486 20 0 HDADLO CC(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448478592 1074673162 /nfs/dbraw/zinc/67/31/62/1074673162.db2.gz OFQLSXPXPGBNDL-UHFFFAOYSA-N 1 2 413.522 1.936 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H](O)CCc3ccccc3)ccn2)CC1 ZINC000543613912 1074716529 /nfs/dbraw/zinc/71/65/29/1074716529.db2.gz DQFBGSKJCQZUKL-LJQANCHMSA-N 1 2 411.506 1.584 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)ccn2)CC1 ZINC000543614502 1074723884 /nfs/dbraw/zinc/72/38/84/1074723884.db2.gz DTIWWSIIMQYFJW-WMZOPIPTSA-N 1 2 403.527 1.730 20 0 HDADLO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000551217144 1074730640 /nfs/dbraw/zinc/73/06/40/1074730640.db2.gz IPBIYOWKURFDQA-UHFFFAOYSA-N 1 2 420.395 1.983 20 0 HDADLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nn3c(nnc3C(F)(F)F)c(C)c2C)C1 ZINC000562114700 1074732470 /nfs/dbraw/zinc/73/24/70/1074732470.db2.gz IPBLAKLITGKDOE-GFCCVEGCSA-N 1 2 400.405 2.057 20 0 HDADLO COC(=O)C[N@H+]1CCC[C@H](CNc2nn3c(nnc3C(F)(F)F)c(C)c2C)C1 ZINC000562114700 1074732477 /nfs/dbraw/zinc/73/24/77/1074732477.db2.gz IPBLAKLITGKDOE-GFCCVEGCSA-N 1 2 400.405 2.057 20 0 HDADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2nn(C3CCCCC3)cc2C)CC1 ZINC000543222560 1074736888 /nfs/dbraw/zinc/73/68/88/1074736888.db2.gz NIQQRGYBMKZJFP-MRXNPFEDSA-N 1 2 419.526 1.731 20 0 HDADLO COC(=O)c1ccc(C(C)C)c(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000466665494 1074742756 /nfs/dbraw/zinc/74/27/56/1074742756.db2.gz JADQQQSYBUBVAB-HNNXBMFYSA-N 1 2 406.483 1.246 20 0 HDADLO COC(=O)c1ccc(C(C)C)c(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000466665494 1074742762 /nfs/dbraw/zinc/74/27/62/1074742762.db2.gz JADQQQSYBUBVAB-HNNXBMFYSA-N 1 2 406.483 1.246 20 0 HDADLO COC(=O)c1ccc(C(C)C)c(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000466665495 1074742855 /nfs/dbraw/zinc/74/28/55/1074742855.db2.gz JADQQQSYBUBVAB-OAHLLOKOSA-N 1 2 406.483 1.246 20 0 HDADLO COC(=O)c1ccc(C(C)C)c(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000466665495 1074742860 /nfs/dbraw/zinc/74/28/60/1074742860.db2.gz JADQQQSYBUBVAB-OAHLLOKOSA-N 1 2 406.483 1.246 20 0 HDADLO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675218794 1074760459 /nfs/dbraw/zinc/76/04/59/1074760459.db2.gz AYTAUAJYVOOYHC-IEBWSBKVSA-N 1 2 421.563 1.796 20 0 HDADLO CC[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000675218506 1074761139 /nfs/dbraw/zinc/76/11/39/1074761139.db2.gz LCTRQPRCQOSREK-IRXDYDNUSA-N 1 2 404.902 1.878 20 0 HDADLO O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675218602 1074761152 /nfs/dbraw/zinc/76/11/52/1074761152.db2.gz POSWBYWFSZIRKM-DLBZAZTESA-N 1 2 409.939 1.788 20 0 HDADLO O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675220060 1074761312 /nfs/dbraw/zinc/76/13/12/1074761312.db2.gz YKAMXFCXIXSVBV-MJGOQNOKSA-N 1 2 407.536 1.163 20 0 HDADLO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219230 1074761612 /nfs/dbraw/zinc/76/16/12/1074761612.db2.gz IMDQJOCASDZUFO-HNNXBMFYSA-N 1 2 413.565 1.008 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCc3c[nH]c4ncccc34)ccn2)CC1 ZINC000543616956 1074764752 /nfs/dbraw/zinc/76/47/52/1074764752.db2.gz PYJUGEBZALKYEC-UHFFFAOYSA-N 1 2 407.478 1.710 20 0 HDADLO CN(C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000675274606 1074783156 /nfs/dbraw/zinc/78/31/56/1074783156.db2.gz BTKRGMYSGHINLH-GOSISDBHSA-N 1 2 419.551 1.769 20 0 HDADLO O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280841 1074785161 /nfs/dbraw/zinc/78/51/61/1074785161.db2.gz LIRIKRBVUAFFGV-AWEZNQCLSA-N 1 2 422.482 1.501 20 0 HDADLO O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675281220 1074785982 /nfs/dbraw/zinc/78/59/82/1074785982.db2.gz PSDDUXKXDROFNT-CQSZACIVSA-N 1 2 421.295 1.092 20 0 HDADLO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000675295127 1074790026 /nfs/dbraw/zinc/79/00/26/1074790026.db2.gz SIDDGXXDQPHMGK-OAHLLOKOSA-N 1 2 417.416 1.316 20 0 HDADLO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000675295127 1074790031 /nfs/dbraw/zinc/79/00/31/1074790031.db2.gz SIDDGXXDQPHMGK-OAHLLOKOSA-N 1 2 417.416 1.316 20 0 HDADLO Cc1noc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)n1 ZINC000509321754 1074808371 /nfs/dbraw/zinc/80/83/71/1074808371.db2.gz WMZWLCRBHQAFKZ-OAHLLOKOSA-N 1 2 400.439 1.220 20 0 HDADLO CCn1c(=O)[nH]c2cc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)ccc2c1=O ZINC000142955290 1074816602 /nfs/dbraw/zinc/81/66/02/1074816602.db2.gz GCSLUASACRRYOV-UHFFFAOYSA-N 1 2 408.458 1.794 20 0 HDADLO Cc1cc(NC(=O)CN(C)C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)no1 ZINC000498011633 1075102707 /nfs/dbraw/zinc/10/27/07/1075102707.db2.gz KDZOQZUCBTURKQ-UHFFFAOYSA-N 1 2 410.434 1.919 20 0 HDADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC000509329406 1075115222 /nfs/dbraw/zinc/11/52/22/1075115222.db2.gz YODYWKDGSJRRQR-INIZCTEOSA-N 1 2 424.567 1.507 20 0 HDADLO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429250483 1075128197 /nfs/dbraw/zinc/12/81/97/1075128197.db2.gz APIGDFLURQMZNJ-ZDUSSCGKSA-N 1 2 406.512 1.336 20 0 HDADLO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435251654 1075173945 /nfs/dbraw/zinc/17/39/45/1075173945.db2.gz HWKKDJQRBHISFQ-UHFFFAOYSA-N 1 2 424.427 2.323 20 0 HDADLO O=C(Nc1ccn(CC(F)F)n1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435236198 1075179435 /nfs/dbraw/zinc/17/94/35/1075179435.db2.gz QVLKZTYKYNGZOF-UHFFFAOYSA-N 1 2 406.437 2.026 20 0 HDADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000675519073 1075184610 /nfs/dbraw/zinc/18/46/10/1075184610.db2.gz RIWDHQDUIZBBRZ-UHFFFAOYSA-N 1 2 417.506 1.433 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000675519505 1075184841 /nfs/dbraw/zinc/18/48/41/1075184841.db2.gz HNTFSKXPYBSMCQ-SUMDDJOVSA-N 1 2 414.506 1.087 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(Oc2ncccc2F)CC1 ZINC000446311821 1075186577 /nfs/dbraw/zinc/18/65/77/1075186577.db2.gz LXGMUPDMVLZWJR-UHFFFAOYSA-N 1 2 418.473 1.825 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000469670991 1075187785 /nfs/dbraw/zinc/18/77/85/1075187785.db2.gz GYKBCMIKKQIXDO-HNNXBMFYSA-N 1 2 405.449 2.515 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000438303819 1075188514 /nfs/dbraw/zinc/18/85/14/1075188514.db2.gz KMYGCSVHGMNXPB-ICSRJNTNSA-N 1 2 417.485 2.396 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000470607198 1075189515 /nfs/dbraw/zinc/18/95/15/1075189515.db2.gz AGSOPXITQVBYEK-UHFFFAOYSA-N 1 2 402.430 1.883 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000517522063 1075190363 /nfs/dbraw/zinc/19/03/63/1075190363.db2.gz MFAOUFFXBSLJSR-IBGZPJMESA-N 1 2 411.506 1.706 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000540691596 1075191787 /nfs/dbraw/zinc/19/17/87/1075191787.db2.gz FNGKAGIYTGMCCF-UHFFFAOYSA-N 1 2 419.848 1.841 20 0 HDADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 ZINC000588254471 1075196564 /nfs/dbraw/zinc/19/65/64/1075196564.db2.gz SBVILIUURTUBIT-UHFFFAOYSA-N 1 2 413.526 1.734 20 0 HDADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 ZINC000588254471 1075196569 /nfs/dbraw/zinc/19/65/69/1075196569.db2.gz SBVILIUURTUBIT-UHFFFAOYSA-N 1 2 413.526 1.734 20 0 HDADLO O=C(Nc1ccn(Cc2ccncc2)n1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000549750127 1075207086 /nfs/dbraw/zinc/20/70/86/1075207086.db2.gz WIHOKMXJAKWXFD-LJQANCHMSA-N 1 2 421.505 2.296 20 0 HDADLO O=C(Nc1ccn(Cc2ccncc2)n1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000549750127 1075207091 /nfs/dbraw/zinc/20/70/91/1075207091.db2.gz WIHOKMXJAKWXFD-LJQANCHMSA-N 1 2 421.505 2.296 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 ZINC000675583252 1075212893 /nfs/dbraw/zinc/21/28/93/1075212893.db2.gz IEJRGQJHQURAHP-UHFFFAOYSA-N 1 2 400.483 1.524 20 0 HDADLO Cc1ccc2[nH+]cc(CN3CCN(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)CC3)n2c1 ZINC000509354833 1075222893 /nfs/dbraw/zinc/22/28/93/1075222893.db2.gz AKTUWVWAZSAWEW-CALCHBBNSA-N 1 2 407.540 1.114 20 0 HDADLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509353409 1075230124 /nfs/dbraw/zinc/23/01/24/1075230124.db2.gz CNDWJJZUCMDAOG-LBPRGKRZSA-N 1 2 424.748 1.721 20 0 HDADLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509353409 1075230130 /nfs/dbraw/zinc/23/01/30/1075230130.db2.gz CNDWJJZUCMDAOG-LBPRGKRZSA-N 1 2 424.748 1.721 20 0 HDADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccccc1 ZINC000675594929 1075233071 /nfs/dbraw/zinc/23/30/71/1075233071.db2.gz BPSMJWIADYHOPS-MOPGFXCFSA-N 1 2 422.489 1.834 20 0 HDADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675596276 1075233879 /nfs/dbraw/zinc/23/38/79/1075233879.db2.gz SECSCWMBIXCMHL-PXNSSMCTSA-N 1 2 411.506 1.734 20 0 HDADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675596276 1075233883 /nfs/dbraw/zinc/23/38/83/1075233883.db2.gz SECSCWMBIXCMHL-PXNSSMCTSA-N 1 2 411.506 1.734 20 0 HDADLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)[nH+]c12 ZINC000675631240 1075243879 /nfs/dbraw/zinc/24/38/79/1075243879.db2.gz GDHIUKPIPYVGGW-UHFFFAOYSA-N 1 2 405.501 1.494 20 0 HDADLO C[C@H](c1nc(-c2nc[nH]n2)no1)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000675610918 1075245038 /nfs/dbraw/zinc/24/50/38/1075245038.db2.gz VDYYMRGSQVXQLZ-TZMCWYRMSA-N 1 2 408.426 1.024 20 0 HDADLO C[C@H](c1nc(-c2nc[nH]n2)no1)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000675610918 1075245041 /nfs/dbraw/zinc/24/50/41/1075245041.db2.gz VDYYMRGSQVXQLZ-TZMCWYRMSA-N 1 2 408.426 1.024 20 0 HDADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000509361314 1075251447 /nfs/dbraw/zinc/25/14/47/1075251447.db2.gz UQERXWWSGTXKGE-MGPQQGTHSA-N 1 2 401.554 1.418 20 0 HDADLO CO[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000675677436 1075252781 /nfs/dbraw/zinc/25/27/81/1075252781.db2.gz YNLNEEKDMCCVKJ-CRAIPNDOSA-N 1 2 409.914 1.324 20 0 HDADLO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)CC1(O)CCS(=O)(=O)CC1 ZINC000429374391 1075262607 /nfs/dbraw/zinc/26/26/07/1075262607.db2.gz VOAYRLLOYRPEHB-UHFFFAOYSA-N 1 2 416.543 1.764 20 0 HDADLO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)CC1(O)CCS(=O)(=O)CC1 ZINC000429374391 1075262614 /nfs/dbraw/zinc/26/26/14/1075262614.db2.gz VOAYRLLOYRPEHB-UHFFFAOYSA-N 1 2 416.543 1.764 20 0 HDADLO CN(C)c1nc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000675816652 1075276158 /nfs/dbraw/zinc/27/61/58/1075276158.db2.gz DAJLYKLJJIJRNS-UHFFFAOYSA-N 1 2 402.524 1.349 20 0 HDADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@H](C)O1 ZINC000509370372 1075290578 /nfs/dbraw/zinc/29/05/78/1075290578.db2.gz GWBAHBNKHKSUKO-HOTGVXAUSA-N 1 2 420.535 1.412 20 0 HDADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(n3cccn3)CC2)C1=O ZINC000731353952 1075316978 /nfs/dbraw/zinc/31/69/78/1075316978.db2.gz ZKJHRKTXAGAMIU-OAQYLSRUSA-N 1 2 410.478 1.409 20 0 HDADLO CCOC(=O)c1cn(C)nc1NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000574722376 1075318511 /nfs/dbraw/zinc/31/85/11/1075318511.db2.gz RDKXLMYDPRJRBG-HNNXBMFYSA-N 1 2 415.494 2.516 20 0 HDADLO Cc1noc(C)c1C[NH+]1CCN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000509376823 1075325187 /nfs/dbraw/zinc/32/51/87/1075325187.db2.gz AECYYSFTEZJZSL-LJQANCHMSA-N 1 2 407.540 1.339 20 0 HDADLO Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C2CC2)cc1 ZINC000533007635 1075331899 /nfs/dbraw/zinc/33/18/99/1075331899.db2.gz WVUGXHLGZCHHNG-HXUWFJFHSA-N 1 2 411.506 1.730 20 0 HDADLO Cn1ccnc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c1=O ZINC000466708504 1075333120 /nfs/dbraw/zinc/33/31/20/1075333120.db2.gz RUNINROMYDLWAU-UHFFFAOYSA-N 1 2 407.474 1.626 20 0 HDADLO Cn1c(=O)c(C(=O)C[N@H+](C)CCOC(C)(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000676042643 1075338739 /nfs/dbraw/zinc/33/87/39/1075338739.db2.gz ALQNQAODNACSMN-UHFFFAOYSA-N 1 2 402.495 1.107 20 0 HDADLO Cn1c(=O)c(C(=O)C[N@@H+](C)CCOC(C)(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000676042643 1075338745 /nfs/dbraw/zinc/33/87/45/1075338745.db2.gz ALQNQAODNACSMN-UHFFFAOYSA-N 1 2 402.495 1.107 20 0 HDADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)CC2)c1 ZINC000523063394 1075343845 /nfs/dbraw/zinc/34/38/45/1075343845.db2.gz KMHGJPVIKCNWBZ-UHFFFAOYSA-N 1 2 418.501 1.918 20 0 HDADLO CC(C)(CNc1nc(NCC(C)(C)S(C)(=O)=O)c(Cl)c[nH+]1)S(C)(=O)=O ZINC000676079957 1075345207 /nfs/dbraw/zinc/34/52/07/1075345207.db2.gz DJGGFLPXMVGBHG-UHFFFAOYSA-N 1 2 412.965 1.600 20 0 HDADLO Cc1ccc(C)c(OCC[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451401 1075387978 /nfs/dbraw/zinc/38/79/78/1075387978.db2.gz FFFICWDPXLZSEC-RVEDGADZSA-N 1 2 400.519 1.923 20 0 HDADLO Cc1ccc(C)c(OCC[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001035451401 1075387981 /nfs/dbraw/zinc/38/79/81/1075387981.db2.gz FFFICWDPXLZSEC-RVEDGADZSA-N 1 2 400.519 1.923 20 0 HDADLO COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000466714594 1075396052 /nfs/dbraw/zinc/39/60/52/1075396052.db2.gz YEYBLGOYFQLZJS-SJLPKXTDSA-N 1 2 405.495 1.270 20 0 HDADLO Cc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000543662077 1075412573 /nfs/dbraw/zinc/41/25/73/1075412573.db2.gz JYEXAGIIQRVHSJ-GJZGRUSLSA-N 1 2 410.540 1.666 20 0 HDADLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000429403072 1075426475 /nfs/dbraw/zinc/42/64/75/1075426475.db2.gz ONBOZWRFEQKSNN-NUJGCVRESA-N 1 2 416.522 1.832 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000731648310 1075426725 /nfs/dbraw/zinc/42/67/25/1075426725.db2.gz KTOHIHSHKHHDGZ-UHFFFAOYSA-N 1 2 409.335 1.997 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000731648342 1075426873 /nfs/dbraw/zinc/42/68/73/1075426873.db2.gz BAJFKQGSSGBOES-UHFFFAOYSA-N 1 2 416.927 1.279 20 0 HDADLO CC(=O)c1ccc(OCCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731649449 1075428150 /nfs/dbraw/zinc/42/81/50/1075428150.db2.gz QQRRTFKVAHORGJ-UHFFFAOYSA-N 1 2 410.536 1.673 20 0 HDADLO Cc1cccc(N2C[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2=O)c1C ZINC000731650239 1075431745 /nfs/dbraw/zinc/43/17/45/1075431745.db2.gz LZMNEBSEZWEJEV-KRWDZBQOSA-N 1 2 421.563 1.282 20 0 HDADLO CCc1nc2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2nc1CC ZINC000731650153 1075432616 /nfs/dbraw/zinc/43/26/16/1075432616.db2.gz FMKQJDVOTONOOR-UHFFFAOYSA-N 1 2 418.563 1.993 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000731651192 1075433554 /nfs/dbraw/zinc/43/35/54/1075433554.db2.gz XTRWPANXCNZNTN-UHFFFAOYSA-N 1 2 409.335 1.997 20 0 HDADLO CCOc1ccc(SCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731651151 1075434435 /nfs/dbraw/zinc/43/44/35/1075434435.db2.gz UKQWPSRZFAQKGA-UHFFFAOYSA-N 1 2 400.566 1.803 20 0 HDADLO COc1ccc(OC)c(CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438320495 1075443690 /nfs/dbraw/zinc/44/36/90/1075443690.db2.gz JVCIPWCOQILEIW-UHFFFAOYSA-N 1 2 403.483 1.597 20 0 HDADLO COc1ccc([C@H]2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cc1 ZINC000731686219 1075446586 /nfs/dbraw/zinc/44/65/86/1075446586.db2.gz OOMDQVYTQWEZBF-KRWDZBQOSA-N 1 2 409.552 1.703 20 0 HDADLO C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](c2ccccc2)O1 ZINC000731686212 1075447482 /nfs/dbraw/zinc/44/74/82/1075447482.db2.gz OLBVJUDNGAKXPE-APWZRJJASA-N 1 2 409.552 1.667 20 0 HDADLO CC(C)CN1C(=O)C(=O)N(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O ZINC000731661827 1075452259 /nfs/dbraw/zinc/45/22/59/1075452259.db2.gz GAGLEUSJFPNKNN-UHFFFAOYSA-N 1 2 412.288 1.687 20 0 HDADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676257437 1075453227 /nfs/dbraw/zinc/45/32/27/1075453227.db2.gz VAACVLRDLBNELV-HNAYVOBHSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257437 1075453230 /nfs/dbraw/zinc/45/32/30/1075453230.db2.gz VAACVLRDLBNELV-HNAYVOBHSA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000731669345 1075454935 /nfs/dbraw/zinc/45/49/35/1075454935.db2.gz GTBBMEIOUCZIBM-LSDHHAIUSA-N 1 2 403.479 1.585 20 0 HDADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000731669345 1075454940 /nfs/dbraw/zinc/45/49/40/1075454940.db2.gz GTBBMEIOUCZIBM-LSDHHAIUSA-N 1 2 403.479 1.585 20 0 HDADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@H]1C[N@H+](C)CCO1 ZINC000676260701 1075458254 /nfs/dbraw/zinc/45/82/54/1075458254.db2.gz MQDOLCHWVFQIKG-LSDHHAIUSA-N 1 2 415.581 1.618 20 0 HDADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@H]1C[N@@H+](C)CCO1 ZINC000676260701 1075458258 /nfs/dbraw/zinc/45/82/58/1075458258.db2.gz MQDOLCHWVFQIKG-LSDHHAIUSA-N 1 2 415.581 1.618 20 0 HDADLO C[C@H](c1cccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)c1)[NH+]1CCOCC1 ZINC000676262178 1075459295 /nfs/dbraw/zinc/45/92/95/1075459295.db2.gz ABUIRBLTAHMQLP-QGZVFWFLSA-N 1 2 403.527 1.318 20 0 HDADLO Cn1ccnc1[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731680752 1075464684 /nfs/dbraw/zinc/46/46/84/1075464684.db2.gz VFKDSOGPQGQXDF-SFHVURJKSA-N 1 2 419.551 1.318 20 0 HDADLO COc1ccccc1C1(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731683223 1075465996 /nfs/dbraw/zinc/46/59/96/1075465996.db2.gz NTFFKJBQBPZAGP-UHFFFAOYSA-N 1 2 409.552 1.535 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccnc(N3CCCCC3)c2)CC1 ZINC000731682595 1075466976 /nfs/dbraw/zinc/46/69/76/1075466976.db2.gz LESZNUBMOJYBPP-UHFFFAOYSA-N 1 2 423.583 1.380 20 0 HDADLO COc1cccc(N2CC[C@H](NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)c1 ZINC000731683536 1075467077 /nfs/dbraw/zinc/46/70/77/1075467077.db2.gz DKAVNSKXJSQPKE-KRWDZBQOSA-N 1 2 424.567 1.082 20 0 HDADLO O=S(=O)(c1cc(Br)ccc1F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429414202 1075473928 /nfs/dbraw/zinc/47/39/28/1075473928.db2.gz DNNNVKIWDSHNDW-LBPRGKRZSA-N 1 2 407.305 1.931 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000676271288 1075473937 /nfs/dbraw/zinc/47/39/37/1075473937.db2.gz OOUMXIRZMOSGBF-IBGZPJMESA-N 1 2 410.474 1.595 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000676273012 1075474832 /nfs/dbraw/zinc/47/48/32/1075474832.db2.gz SSFRODVBVARGCI-UHFFFAOYSA-N 1 2 404.496 1.004 20 0 HDADLO COc1cccc(Cc2nnc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)s2)c1 ZINC000461840334 1075476293 /nfs/dbraw/zinc/47/62/93/1075476293.db2.gz BYZXQBXJAJQOEY-OAHLLOKOSA-N 1 2 403.508 2.076 20 0 HDADLO COc1cccc(Cc2nnc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)s2)c1 ZINC000461840331 1075476348 /nfs/dbraw/zinc/47/63/48/1075476348.db2.gz BYZXQBXJAJQOEY-HNNXBMFYSA-N 1 2 403.508 2.076 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000509400820 1075490325 /nfs/dbraw/zinc/49/03/25/1075490325.db2.gz MRFVRHUXXBZRMS-UHFFFAOYSA-N 1 2 403.570 1.432 20 0 HDADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676289651 1075494537 /nfs/dbraw/zinc/49/45/37/1075494537.db2.gz HIDMNIZJUACGRW-ZIAGYGMSSA-N 1 2 401.554 1.372 20 0 HDADLO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676289651 1075494541 /nfs/dbraw/zinc/49/45/41/1075494541.db2.gz HIDMNIZJUACGRW-ZIAGYGMSSA-N 1 2 401.554 1.372 20 0 HDADLO COCCOc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1F ZINC000731752575 1075508354 /nfs/dbraw/zinc/50/83/54/1075508354.db2.gz GMRDCSCLWLUSCI-UHFFFAOYSA-N 1 2 417.503 1.481 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000731752313 1075508554 /nfs/dbraw/zinc/50/85/54/1075508554.db2.gz WQBVDWWWHSASBQ-UHFFFAOYSA-N 1 2 412.537 1.361 20 0 HDADLO CC(C)C(=O)Nc1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731751901 1075509056 /nfs/dbraw/zinc/50/90/56/1075509056.db2.gz HRKQSPHLQCHEAD-UHFFFAOYSA-N 1 2 410.540 1.912 20 0 HDADLO COCCn1ncc2ccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc21 ZINC000731753097 1075509726 /nfs/dbraw/zinc/50/97/26/1075509726.db2.gz VUILVYMLSZMDKM-UHFFFAOYSA-N 1 2 423.539 1.313 20 0 HDADLO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731753080 1075510073 /nfs/dbraw/zinc/51/00/73/1075510073.db2.gz WACAFBYOEKVUFL-UHFFFAOYSA-N 1 2 410.540 1.327 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000731758089 1075513582 /nfs/dbraw/zinc/51/35/82/1075513582.db2.gz GPBBZJAHADVODK-RTBURBONSA-N 1 2 409.552 1.715 20 0 HDADLO COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(OC)c1 ZINC000676340817 1075514053 /nfs/dbraw/zinc/51/40/53/1075514053.db2.gz KZNWTEOLQOVQKW-APWZRJJASA-N 1 2 417.506 1.242 20 0 HDADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc2)C1 ZINC000676340601 1075514068 /nfs/dbraw/zinc/51/40/68/1075514068.db2.gz BTIUQMUUSBQICI-PKOBYXMFSA-N 1 2 421.563 1.654 20 0 HDADLO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1cccnc1 ZINC000676340432 1075514302 /nfs/dbraw/zinc/51/43/02/1075514302.db2.gz FHQPVUGUKBVCJS-SFTDATJTSA-N 1 2 408.502 1.356 20 0 HDADLO CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676342283 1075516343 /nfs/dbraw/zinc/51/63/43/1075516343.db2.gz ZSAIWLGBTNBLQL-KURKYZTESA-N 1 2 424.586 1.145 20 0 HDADLO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000676386758 1075534414 /nfs/dbraw/zinc/53/44/14/1075534414.db2.gz BTDVQUPGSUUGOM-BZUAXINKSA-N 1 2 417.506 1.845 20 0 HDADLO CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676387636 1075534814 /nfs/dbraw/zinc/53/48/14/1075534814.db2.gz GFPUYZUCRHHQSO-MOPGFXCFSA-N 1 2 406.502 1.583 20 0 HDADLO CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccn1 ZINC000676391240 1075535402 /nfs/dbraw/zinc/53/54/02/1075535402.db2.gz WYTVTQZOEBLULP-FUHWJXTLSA-N 1 2 404.511 1.198 20 0 HDADLO CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000676391242 1075535829 /nfs/dbraw/zinc/53/58/29/1075535829.db2.gz WYTVTQZOEBLULP-WMZOPIPTSA-N 1 2 404.511 1.198 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)Nc3cc4c(cc3O)n(C)c(=O)n4C)c2)cc[nH+]1 ZINC000461622859 1075541187 /nfs/dbraw/zinc/54/11/87/1075541187.db2.gz GCAIGJROWJIVRQ-UHFFFAOYSA-N 1 2 418.457 2.545 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000731838962 1075545340 /nfs/dbraw/zinc/54/53/40/1075545340.db2.gz QWGUIZWBVOOHQQ-UHFFFAOYSA-N 1 2 400.451 1.739 20 0 HDADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCc3cc(F)ccc3C2)c(=O)[nH]c1=O ZINC000509415156 1075557466 /nfs/dbraw/zinc/55/74/66/1075557466.db2.gz ILHFLAKJYNXAAB-UHFFFAOYSA-N 1 2 417.485 1.882 20 0 HDADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCc3cc(F)ccc3C2)c(=O)[nH]c1=O ZINC000509415156 1075557473 /nfs/dbraw/zinc/55/74/73/1075557473.db2.gz ILHFLAKJYNXAAB-UHFFFAOYSA-N 1 2 417.485 1.882 20 0 HDADLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC001005801053 1075564533 /nfs/dbraw/zinc/56/45/33/1075564533.db2.gz ZMJRRTUGRLNNQW-XEHMUHMDSA-N 1 2 419.485 1.552 20 0 HDADLO CCCn1nc(C)c(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c1C ZINC000676496346 1075565260 /nfs/dbraw/zinc/56/52/60/1075565260.db2.gz XCPDPRXWHPAWDX-UHFFFAOYSA-N 1 2 406.556 1.999 20 0 HDADLO Cn1nc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c2ccccc21 ZINC000676494741 1075565333 /nfs/dbraw/zinc/56/53/33/1075565333.db2.gz DJRHHLDOGYMDKH-UHFFFAOYSA-N 1 2 400.508 1.662 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2nc3ccccc3s2)[C@@H](C)C1 ZINC000804162336 1075567250 /nfs/dbraw/zinc/56/72/50/1075567250.db2.gz HMERXTYLKZPLHE-KBPBESRZSA-N 1 2 418.519 1.569 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)c2nc3ccccc3s2)[C@@H](C)C1 ZINC000804162336 1075567252 /nfs/dbraw/zinc/56/72/52/1075567252.db2.gz HMERXTYLKZPLHE-KBPBESRZSA-N 1 2 418.519 1.569 20 0 HDADLO CS(=O)(=O)N1CCN(c2ccc(NCc3cccc4c3OCCCO4)c[nH+]2)CC1 ZINC000676496381 1075573332 /nfs/dbraw/zinc/57/33/32/1075573332.db2.gz YVCLEFGWUBGJQN-UHFFFAOYSA-N 1 2 418.519 1.937 20 0 HDADLO CC(=O)C(C)(C)CCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000676521831 1075574026 /nfs/dbraw/zinc/57/40/26/1075574026.db2.gz ZQJJTINXHRGLLH-UHFFFAOYSA-N 1 2 410.540 1.045 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000676550826 1075584401 /nfs/dbraw/zinc/58/44/01/1075584401.db2.gz CDJMKQUIJPQJMK-QGZVFWFLSA-N 1 2 401.442 1.267 20 0 HDADLO Cc1cc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)n(C2CCOCC2)n1 ZINC000676551170 1075584454 /nfs/dbraw/zinc/58/44/54/1075584454.db2.gz LOTPTOPWDMMFIJ-UHFFFAOYSA-N 1 2 410.478 1.797 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000676551002 1075584511 /nfs/dbraw/zinc/58/45/11/1075584511.db2.gz GPOWXSTVNJLDML-GOSISDBHSA-N 1 2 401.442 1.267 20 0 HDADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](C)C1CCCCC1 ZINC000532605560 1075585155 /nfs/dbraw/zinc/58/51/55/1075585155.db2.gz NDLGWXHFKFENIV-DLBZAZTESA-N 1 2 405.543 1.875 20 0 HDADLO Cc1ccc(CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(C)c1 ZINC000676545450 1075590690 /nfs/dbraw/zinc/59/06/90/1075590690.db2.gz RBMKAWNCZRYAMW-UHFFFAOYSA-N 1 2 413.522 1.520 20 0 HDADLO CC1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]1c1ccccc1 ZINC000676547500 1075594102 /nfs/dbraw/zinc/59/41/02/1075594102.db2.gz PDXZUPDISJGEOL-IBGZPJMESA-N 1 2 411.506 1.764 20 0 HDADLO CCC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccn1 ZINC000676549144 1075596020 /nfs/dbraw/zinc/59/60/20/1075596020.db2.gz CIWFUBWTAWUAIX-KRWDZBQOSA-N 1 2 400.483 1.206 20 0 HDADLO COc1ncnc(OC)c1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000732058334 1075597010 /nfs/dbraw/zinc/59/70/10/1075597010.db2.gz RTAWFPDXKWWEIT-UHFFFAOYSA-N 1 2 409.487 1.166 20 0 HDADLO CNC(=O)c1cncc(/C=C/C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000732064625 1075599643 /nfs/dbraw/zinc/59/96/43/1075599643.db2.gz WYPPIGSBDFOQDY-VOTSOKGWSA-N 1 2 424.501 1.482 20 0 HDADLO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000596037105 1075600195 /nfs/dbraw/zinc/60/01/95/1075600195.db2.gz XIOJLMMRNQHQEJ-HKUYNNGSSA-N 1 2 411.506 1.764 20 0 HDADLO O=C(C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1)Nc1ccccc1 ZINC000071832208 1075629881 /nfs/dbraw/zinc/62/98/81/1075629881.db2.gz UBDVPBXXXUJJQH-KRWDZBQOSA-N 1 2 424.501 1.847 20 0 HDADLO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000732128333 1075631428 /nfs/dbraw/zinc/63/14/28/1075631428.db2.gz XEOGBAQLLHWLNR-OAHLLOKOSA-N 1 2 413.515 1.403 20 0 HDADLO COc1cc(C=O)ccc1OCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732165042 1075643596 /nfs/dbraw/zinc/64/35/96/1075643596.db2.gz GLIRAPOWYLZAJV-HXUWFJFHSA-N 1 2 412.486 1.946 20 0 HDADLO O=C1NCCN1CCN1CC[N@@H+](CCN2CCNC2=O)C[C@H]1c1ccccc1Cl ZINC000676690493 1075652692 /nfs/dbraw/zinc/65/26/92/1075652692.db2.gz NBMCLMLIWMQLOZ-SFHVURJKSA-N 1 2 420.945 1.049 20 0 HDADLO O=C1NCCN1CCN1CC[N@H+](CCN2CCNC2=O)C[C@H]1c1ccccc1Cl ZINC000676690493 1075652694 /nfs/dbraw/zinc/65/26/94/1075652694.db2.gz NBMCLMLIWMQLOZ-SFHVURJKSA-N 1 2 420.945 1.049 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000676737639 1075670559 /nfs/dbraw/zinc/67/05/59/1075670559.db2.gz CASGRQBVEPSXDC-RTBURBONSA-N 1 2 409.552 1.762 20 0 HDADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000676737639 1075670562 /nfs/dbraw/zinc/67/05/62/1075670562.db2.gz CASGRQBVEPSXDC-RTBURBONSA-N 1 2 409.552 1.762 20 0 HDADLO O[C@H](C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000732204429 1075676189 /nfs/dbraw/zinc/67/61/89/1075676189.db2.gz LDLBHTIQNKNJKD-LJQANCHMSA-N 1 2 400.433 1.792 20 0 HDADLO C[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490243940 1075687467 /nfs/dbraw/zinc/68/74/67/1075687467.db2.gz MZIZSDUHKUGTIS-HUUCEWRRSA-N 1 2 423.493 1.676 20 0 HDADLO C[N@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490243940 1075687470 /nfs/dbraw/zinc/68/74/70/1075687470.db2.gz MZIZSDUHKUGTIS-HUUCEWRRSA-N 1 2 423.493 1.676 20 0 HDADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000533479829 1075687493 /nfs/dbraw/zinc/68/74/93/1075687493.db2.gz NZVYPLBIOFDYOF-ZDUSSCGKSA-N 1 2 403.556 1.713 20 0 HDADLO Cn1ccc(Nc2nnc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2C)n1 ZINC000567652053 1075697624 /nfs/dbraw/zinc/69/76/24/1075697624.db2.gz RNISHQQSPGLARP-UHFFFAOYSA-N 1 2 400.918 2.263 20 0 HDADLO C[C@H](C(=O)NCC1N=NC(=S)N1C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000732287962 1075698956 /nfs/dbraw/zinc/69/89/56/1075698956.db2.gz KALHJXVDRXPBPF-CYBMUJFWSA-N 1 2 404.515 1.868 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000732292697 1075701038 /nfs/dbraw/zinc/70/10/38/1075701038.db2.gz SIYQJRPWBWKRMZ-UHFFFAOYSA-N 1 2 424.548 1.092 20 0 HDADLO O=C(Nc1ccc(-n2nccn2)nc1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732419548 1075733533 /nfs/dbraw/zinc/73/35/33/1075733533.db2.gz HKIBIMWMDPRHAU-LJQANCHMSA-N 1 2 407.478 1.727 20 0 HDADLO CC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543688206 1075754023 /nfs/dbraw/zinc/75/40/23/1075754023.db2.gz SXORGJLJUOZJQS-FNHZYXHNSA-N 1 2 412.456 1.965 20 0 HDADLO CC[N@H+]1CC[C@H](NC(=O)N2CCN3CCOC[C@@H]3C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543688206 1075754029 /nfs/dbraw/zinc/75/40/29/1075754029.db2.gz SXORGJLJUOZJQS-FNHZYXHNSA-N 1 2 412.456 1.965 20 0 HDADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608478230 1075754790 /nfs/dbraw/zinc/75/47/90/1075754790.db2.gz RUXRDSNIYJWXRZ-KRWDZBQOSA-N 1 2 404.478 1.700 20 0 HDADLO CCOC(=O)N[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000732476767 1075757308 /nfs/dbraw/zinc/75/73/08/1075757308.db2.gz VXFHBHPBPUHFGO-PMACEKPBSA-N 1 2 418.538 1.850 20 0 HDADLO CCOC(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732476456 1075757320 /nfs/dbraw/zinc/75/73/20/1075757320.db2.gz KCPQXPFWBLXIGE-LJQANCHMSA-N 1 2 404.511 1.414 20 0 HDADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438302959 1075768401 /nfs/dbraw/zinc/76/84/01/1075768401.db2.gz JDBKTTXRBCGKQS-UHFFFAOYSA-N 1 2 409.437 2.481 20 0 HDADLO CC(=O)N1CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000016444267 1075787730 /nfs/dbraw/zinc/78/77/30/1075787730.db2.gz AXFXHRZXZYXMIZ-UHFFFAOYSA-N 1 2 414.428 1.657 20 0 HDADLO CC(=O)N1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000016444267 1075787734 /nfs/dbraw/zinc/78/77/34/1075787734.db2.gz AXFXHRZXZYXMIZ-UHFFFAOYSA-N 1 2 414.428 1.657 20 0 HDADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCNc2cnccn2)c2ccc(Cl)cc2)C1 ZINC000499097490 1075795225 /nfs/dbraw/zinc/79/52/25/1075795225.db2.gz PQEHZSNJJXISCD-FUHWJXTLSA-N 1 2 404.902 1.913 20 0 HDADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCNc2cnccn2)c2ccc(Cl)cc2)C1 ZINC000499097490 1075795228 /nfs/dbraw/zinc/79/52/28/1075795228.db2.gz PQEHZSNJJXISCD-FUHWJXTLSA-N 1 2 404.902 1.913 20 0 HDADLO CN1CCc2nc3ccccc3c(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c2C1 ZINC000561379344 1075798379 /nfs/dbraw/zinc/79/83/79/1075798379.db2.gz XHDOTJAODQPTOX-UHFFFAOYSA-N 1 2 420.517 2.004 20 0 HDADLO CN(C(=O)CCc1[nH+]ccn1C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079022954 1075799870 /nfs/dbraw/zinc/79/98/70/1075799870.db2.gz BZGQTFARSWBDOL-OQPDCJGNSA-N 1 2 400.523 1.616 20 0 HDADLO COC(=O)c1nscc1S(=O)(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000611024025 1075812713 /nfs/dbraw/zinc/81/27/13/1075812713.db2.gz OBRPCXCVBVTGCS-CYBMUJFWSA-N 1 2 406.489 1.926 20 0 HDADLO CCOC(=O)Cn1cccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1=O ZINC000611096926 1075840872 /nfs/dbraw/zinc/84/08/72/1075840872.db2.gz BNZHUPWMABNDMS-MRXNPFEDSA-N 1 2 413.478 1.717 20 0 HDADLO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000584440857 1075841547 /nfs/dbraw/zinc/84/15/47/1075841547.db2.gz MILNVSHMVQAYKC-UHFFFAOYSA-N 1 2 420.823 2.031 20 0 HDADLO Cc1c(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cccc1-c1ncco1 ZINC000556283658 1075844293 /nfs/dbraw/zinc/84/42/93/1075844293.db2.gz YOUJRLKCUHGJTB-UHFFFAOYSA-N 1 2 424.461 1.756 20 0 HDADLO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nn1 ZINC000560188976 1075860206 /nfs/dbraw/zinc/86/02/06/1075860206.db2.gz QEBSEZMQRLXHGV-CRAIPNDOSA-N 1 2 417.897 2.417 20 0 HDADLO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nn1 ZINC000560188976 1075860210 /nfs/dbraw/zinc/86/02/10/1075860210.db2.gz QEBSEZMQRLXHGV-CRAIPNDOSA-N 1 2 417.897 2.417 20 0 HDADLO COCC1CC[NH+](Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)CC1 ZINC000732798285 1075861016 /nfs/dbraw/zinc/86/10/16/1075861016.db2.gz LVOOKHHBPDQFIJ-QGZVFWFLSA-N 1 2 411.572 1.746 20 0 HDADLO CN(C)C(=O)C[NH+]1CCC(NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000466657633 1075867184 /nfs/dbraw/zinc/86/71/84/1075867184.db2.gz SLQAZOXLRUTHCI-UHFFFAOYSA-N 1 2 414.506 1.203 20 0 HDADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000732808928 1075871022 /nfs/dbraw/zinc/87/10/22/1075871022.db2.gz GBWYQZGPPUALHV-GOSISDBHSA-N 1 2 416.522 1.569 20 0 HDADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000732808928 1075871027 /nfs/dbraw/zinc/87/10/27/1075871027.db2.gz GBWYQZGPPUALHV-GOSISDBHSA-N 1 2 416.522 1.569 20 0 HDADLO O=C(C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000732808758 1075871406 /nfs/dbraw/zinc/87/14/06/1075871406.db2.gz KTLNHFXGFVVJGB-OAHLLOKOSA-N 1 2 402.451 1.540 20 0 HDADLO O=C(C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000732808758 1075871408 /nfs/dbraw/zinc/87/14/08/1075871408.db2.gz KTLNHFXGFVVJGB-OAHLLOKOSA-N 1 2 402.451 1.540 20 0 HDADLO O=C(CNC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc(F)c(F)c1 ZINC000732811230 1075872502 /nfs/dbraw/zinc/87/25/02/1075872502.db2.gz DOFYSEPQDLLYIR-HNNXBMFYSA-N 1 2 408.449 1.496 20 0 HDADLO O=C(CNC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc(F)c(F)c1 ZINC000732811230 1075872507 /nfs/dbraw/zinc/87/25/07/1075872507.db2.gz DOFYSEPQDLLYIR-HNNXBMFYSA-N 1 2 408.449 1.496 20 0 HDADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732811891 1075873774 /nfs/dbraw/zinc/87/37/74/1075873774.db2.gz HXMNYPGYKKHCAE-GDBMZVCRSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732811891 1075873776 /nfs/dbraw/zinc/87/37/76/1075873776.db2.gz HXMNYPGYKKHCAE-GDBMZVCRSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732811893 1075874052 /nfs/dbraw/zinc/87/40/52/1075874052.db2.gz HXMNYPGYKKHCAE-HOCLYGCPSA-N 1 2 408.524 1.138 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000732811893 1075874057 /nfs/dbraw/zinc/87/40/57/1075874057.db2.gz HXMNYPGYKKHCAE-HOCLYGCPSA-N 1 2 408.524 1.138 20 0 HDADLO COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1OC ZINC000611307673 1075896859 /nfs/dbraw/zinc/89/68/59/1075896859.db2.gz IFSBKVYJVBBOQF-ZDUSSCGKSA-N 1 2 409.464 1.713 20 0 HDADLO Cc1cc(C)n(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000732916750 1075912577 /nfs/dbraw/zinc/91/25/77/1075912577.db2.gz UGWQZXBIBCTBOF-SFHVURJKSA-N 1 2 413.526 1.302 20 0 HDADLO Cc1cc(C)n(CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000732916750 1075912582 /nfs/dbraw/zinc/91/25/82/1075912582.db2.gz UGWQZXBIBCTBOF-SFHVURJKSA-N 1 2 413.526 1.302 20 0 HDADLO O=C(/C=C\C1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732917149 1075913271 /nfs/dbraw/zinc/91/32/71/1075913271.db2.gz ZTUOVJOTMZKNFA-DDKKJVIOSA-N 1 2 401.511 1.381 20 0 HDADLO O=C(/C=C\C1CCOCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732917149 1075913277 /nfs/dbraw/zinc/91/32/77/1075913277.db2.gz ZTUOVJOTMZKNFA-DDKKJVIOSA-N 1 2 401.511 1.381 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611436903 1075933815 /nfs/dbraw/zinc/93/38/15/1075933815.db2.gz NKKQNLIIOHKIGZ-SFHVURJKSA-N 1 2 407.511 1.476 20 0 HDADLO COC(=O)c1csc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C ZINC000611449719 1075936980 /nfs/dbraw/zinc/93/69/80/1075936980.db2.gz BQAWHYDDCSBCPD-HNNXBMFYSA-N 1 2 409.508 1.495 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180786 1075985551 /nfs/dbraw/zinc/98/55/51/1075985551.db2.gz WWQGCOZZRDLSSS-QFIDOLFYSA-N 1 2 402.539 1.986 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180786 1075985554 /nfs/dbraw/zinc/98/55/54/1075985554.db2.gz WWQGCOZZRDLSSS-QFIDOLFYSA-N 1 2 402.539 1.986 20 0 HDADLO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001081101557 1076001423 /nfs/dbraw/zinc/00/14/23/1076001423.db2.gz FVUASOFNZQSRIP-ATOXUGOLSA-N 1 2 400.523 1.853 20 0 HDADLO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)Cc1c[nH+]cn1C ZINC001081102026 1076002204 /nfs/dbraw/zinc/00/22/04/1076002204.db2.gz YYGDPAFYECTXDS-IYWGDAJJSA-N 1 2 400.523 1.473 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1=O ZINC000733293971 1076040638 /nfs/dbraw/zinc/04/06/38/1076040638.db2.gz ZCHYWRYKDUMKON-FQEVSTJZSA-N 1 2 406.458 1.068 20 0 HDADLO CO[C@H](CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C(F)(F)F ZINC000733345455 1076042943 /nfs/dbraw/zinc/04/29/43/1076042943.db2.gz MTNHAQBOSQZTKG-MRXNPFEDSA-N 1 2 405.417 1.774 20 0 HDADLO CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000727124859 1076049271 /nfs/dbraw/zinc/04/92/71/1076049271.db2.gz VBGTVTYVCPPPHY-AWEZNQCLSA-N 1 2 403.487 1.315 20 0 HDADLO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000053510096 1076057773 /nfs/dbraw/zinc/05/77/73/1076057773.db2.gz SDZMLVVSZWACOE-UHFFFAOYSA-N 1 2 419.551 1.942 20 0 HDADLO COCCn1nc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1=O ZINC000021965081 1076064737 /nfs/dbraw/zinc/06/47/37/1076064737.db2.gz KEYAEXJZKWJJQZ-UHFFFAOYSA-N 1 2 424.423 1.867 20 0 HDADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000727446265 1076124051 /nfs/dbraw/zinc/12/40/51/1076124051.db2.gz KATORCMNZVSMAF-JXMROGBWSA-N 1 2 416.341 1.550 20 0 HDADLO O=C(COC(=O)c1ccc(-n2cnnc2)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000727517491 1076144484 /nfs/dbraw/zinc/14/44/84/1076144484.db2.gz MWNRDMTZCOUIRA-UHFFFAOYSA-N 1 2 421.457 1.895 20 0 HDADLO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727738086 1076214543 /nfs/dbraw/zinc/21/45/43/1076214543.db2.gz FKDQAVKAOYTASU-IRXDYDNUSA-N 1 2 413.478 1.676 20 0 HDADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533829013 1076245117 /nfs/dbraw/zinc/24/51/17/1076245117.db2.gz PHCJIUZSONLCDF-IBGZPJMESA-N 1 2 410.474 1.443 20 0 HDADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533829013 1076245123 /nfs/dbraw/zinc/24/51/23/1076245123.db2.gz PHCJIUZSONLCDF-IBGZPJMESA-N 1 2 410.474 1.443 20 0 HDADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000534530479 1076247595 /nfs/dbraw/zinc/24/75/95/1076247595.db2.gz DPBGNEVNOLOFRB-SFHVURJKSA-N 1 2 403.504 1.796 20 0 HDADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000534530479 1076247601 /nfs/dbraw/zinc/24/76/01/1076247601.db2.gz DPBGNEVNOLOFRB-SFHVURJKSA-N 1 2 403.504 1.796 20 0 HDADLO CN1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535267127 1076250967 /nfs/dbraw/zinc/25/09/67/1076250967.db2.gz AUBOPCCJCVZUHW-HXUWFJFHSA-N 1 2 409.538 1.475 20 0 HDADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535275906 1076251424 /nfs/dbraw/zinc/25/14/24/1076251424.db2.gz HTWHOVNHIVCNIN-LJQANCHMSA-N 1 2 410.474 1.395 20 0 HDADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535275906 1076251428 /nfs/dbraw/zinc/25/14/28/1076251428.db2.gz HTWHOVNHIVCNIN-LJQANCHMSA-N 1 2 410.474 1.395 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)C1 ZINC000536033239 1076254312 /nfs/dbraw/zinc/25/43/12/1076254312.db2.gz ZGILOZCQGASWLS-SFHVURJKSA-N 1 2 401.488 1.473 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)C1 ZINC000536033239 1076254315 /nfs/dbraw/zinc/25/43/15/1076254315.db2.gz ZGILOZCQGASWLS-SFHVURJKSA-N 1 2 401.488 1.473 20 0 HDADLO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000733895429 1076255867 /nfs/dbraw/zinc/25/58/67/1076255867.db2.gz VBONQQWLHWSMTC-OAHLLOKOSA-N 1 2 422.551 1.298 20 0 HDADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000733895429 1076255869 /nfs/dbraw/zinc/25/58/69/1076255869.db2.gz VBONQQWLHWSMTC-OAHLLOKOSA-N 1 2 422.551 1.298 20 0 HDADLO CCOC(=O)C1C(C[NH2+]C2(C(=O)NC)CCCC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000733896505 1076256415 /nfs/dbraw/zinc/25/64/15/1076256415.db2.gz GFLADWNZSFPLBR-QGZVFWFLSA-N 1 2 400.479 1.506 20 0 HDADLO C[C@]1(c2ccc(Br)s2)NC(=O)N(C[NH+]2CCC(C(N)=O)CC2)C1=O ZINC000727816517 1076261522 /nfs/dbraw/zinc/26/15/22/1076261522.db2.gz XENRRCZMMSLZQD-OAHLLOKOSA-N 1 2 415.313 1.432 20 0 HDADLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC001083147342 1076303691 /nfs/dbraw/zinc/30/36/91/1076303691.db2.gz FKUMIVHFLKRLHI-QBRMMOJRSA-N 1 2 404.482 1.545 20 0 HDADLO O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@@H]21 ZINC001083147342 1076303696 /nfs/dbraw/zinc/30/36/96/1076303696.db2.gz FKUMIVHFLKRLHI-QBRMMOJRSA-N 1 2 404.482 1.545 20 0 HDADLO O=C(N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1)[C@]1(O)CCSC1 ZINC000497894345 1076353140 /nfs/dbraw/zinc/35/31/40/1076353140.db2.gz AKSRIICVMQGLIO-SFHVURJKSA-N 1 2 408.549 1.743 20 0 HDADLO Cc1cc(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C3OCCO3)CC2)nc(C(C)C)n1 ZINC000728172928 1076363940 /nfs/dbraw/zinc/36/39/40/1076363940.db2.gz PHGDXYXQPKNFRR-SFHVURJKSA-N 1 2 417.554 1.784 20 0 HDADLO Cc1cc(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3C3OCCO3)CC2)nc(C(C)C)n1 ZINC000728172928 1076363947 /nfs/dbraw/zinc/36/39/47/1076363947.db2.gz PHGDXYXQPKNFRR-SFHVURJKSA-N 1 2 417.554 1.784 20 0 HDADLO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000729980969 1076406004 /nfs/dbraw/zinc/40/60/04/1076406004.db2.gz SVPYLSIBNCOKLY-CYBMUJFWSA-N 1 2 419.341 1.693 20 0 HDADLO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000729980969 1076406013 /nfs/dbraw/zinc/40/60/13/1076406013.db2.gz SVPYLSIBNCOKLY-CYBMUJFWSA-N 1 2 419.341 1.693 20 0 HDADLO Cn1cc(C[NH+]2CCN(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)CC2)cn1 ZINC000729988158 1076408819 /nfs/dbraw/zinc/40/88/19/1076408819.db2.gz BKGQXKYXPKDPKZ-HSZRJFAPSA-N 1 2 422.533 1.451 20 0 HDADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000730017741 1076416780 /nfs/dbraw/zinc/41/67/80/1076416780.db2.gz LJEUPNZUPJOKOZ-AWEZNQCLSA-N 1 2 414.491 1.292 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000730261755 1076502657 /nfs/dbraw/zinc/50/26/57/1076502657.db2.gz BSRPACKWDFOVSX-CQSZACIVSA-N 1 2 407.467 1.509 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000730261755 1076502663 /nfs/dbraw/zinc/50/26/63/1076502663.db2.gz BSRPACKWDFOVSX-CQSZACIVSA-N 1 2 407.467 1.509 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000730263062 1076503021 /nfs/dbraw/zinc/50/30/21/1076503021.db2.gz CMLNDFICBRHCHR-INIZCTEOSA-N 1 2 408.568 1.991 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000730263062 1076503046 /nfs/dbraw/zinc/50/30/46/1076503046.db2.gz CMLNDFICBRHCHR-INIZCTEOSA-N 1 2 408.568 1.991 20 0 HDADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730264187 1076506511 /nfs/dbraw/zinc/50/65/11/1076506511.db2.gz PMZRJDQOXVTBMC-PMPSAXMXSA-N 1 2 405.495 1.930 20 0 HDADLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730264187 1076506517 /nfs/dbraw/zinc/50/65/17/1076506517.db2.gz PMZRJDQOXVTBMC-PMPSAXMXSA-N 1 2 405.495 1.930 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCCc4ccccc4C3)C2=O)cc1 ZINC000730264289 1076506585 /nfs/dbraw/zinc/50/65/85/1076506585.db2.gz GKKLJSFKXOGZNV-HSZRJFAPSA-N 1 2 422.485 1.942 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCCc4ccccc4C3)C2=O)cc1 ZINC000730264289 1076506592 /nfs/dbraw/zinc/50/65/92/1076506592.db2.gz GKKLJSFKXOGZNV-HSZRJFAPSA-N 1 2 422.485 1.942 20 0 HDADLO CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000730311056 1076525418 /nfs/dbraw/zinc/52/54/18/1076525418.db2.gz PDHYEVFVEAFJHM-HNNXBMFYSA-N 1 2 411.549 1.247 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571233 1076605497 /nfs/dbraw/zinc/60/54/97/1076605497.db2.gz OUSSWTAGENUHPM-IRXDYDNUSA-N 1 2 423.583 1.509 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571233 1076605504 /nfs/dbraw/zinc/60/55/04/1076605504.db2.gz OUSSWTAGENUHPM-IRXDYDNUSA-N 1 2 423.583 1.509 20 0 HDADLO O=C(NCC[NH+]1CCN(Cn2ncn(C3CC3)c2=S)CC1)c1ccccc1F ZINC000731206997 1076755146 /nfs/dbraw/zinc/75/51/46/1076755146.db2.gz JAIFIEUZEORWKP-UHFFFAOYSA-N 1 2 404.515 1.893 20 0 HDADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1C ZINC001164641815 719268051 /nfs/dbraw/zinc/26/80/51/719268051.db2.gz WWNNDEUTTHPMAH-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1C ZINC001164641815 719268055 /nfs/dbraw/zinc/26/80/55/719268055.db2.gz WWNNDEUTTHPMAH-UHFFFAOYSA-N 1 2 404.511 1.326 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(=O)OC)ccc3Cl)CC2)C1=O ZINC001164641951 719276007 /nfs/dbraw/zinc/27/60/07/719276007.db2.gz VHIBHPXCXJOXJB-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(=O)OC)ccc3Cl)CC2)C1=O ZINC001164641951 719276015 /nfs/dbraw/zinc/27/60/15/719276015.db2.gz VHIBHPXCXJOXJB-UHFFFAOYSA-N 1 2 410.902 1.281 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(C(=O)OC(C)(C)C)n3)CC2)C1=O ZINC001164642124 719276671 /nfs/dbraw/zinc/27/66/71/719276671.db2.gz WXUKHHSTUQLGDM-UHFFFAOYSA-N 1 2 419.526 1.191 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(C(=O)OC(C)(C)C)n3)CC2)C1=O ZINC001164642124 719276673 /nfs/dbraw/zinc/27/66/73/719276673.db2.gz WXUKHHSTUQLGDM-UHFFFAOYSA-N 1 2 419.526 1.191 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4ccncc4)nc(C)n3)CC2)C1=O ZINC001164644965 719282135 /nfs/dbraw/zinc/28/21/35/719282135.db2.gz YBZYBQXTIDBVTR-UHFFFAOYSA-N 1 2 410.522 1.606 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4ccncc4)nc(C)n3)CC2)C1=O ZINC001164644965 719282136 /nfs/dbraw/zinc/28/21/36/719282136.db2.gz YBZYBQXTIDBVTR-UHFFFAOYSA-N 1 2 410.522 1.606 20 0 HDADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C(=O)OC(C)C)CC2)C1=O ZINC001164644861 719284313 /nfs/dbraw/zinc/28/43/13/719284313.db2.gz UVSGWCDTIHJEIP-UHFFFAOYSA-N 1 2 404.511 1.406 20 0 HDADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C(=O)OC(C)C)CC2)C1=O ZINC001164644861 719284316 /nfs/dbraw/zinc/28/43/16/719284316.db2.gz UVSGWCDTIHJEIP-UHFFFAOYSA-N 1 2 404.511 1.406 20 0 HDADLO NS(=O)(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164678755 719526775 /nfs/dbraw/zinc/52/67/75/719526775.db2.gz NGKJBTGAVFTJQM-UHFFFAOYSA-N 1 2 420.510 1.740 20 0 HDADLO NS(=O)(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164678755 719526785 /nfs/dbraw/zinc/52/67/85/719526785.db2.gz NGKJBTGAVFTJQM-UHFFFAOYSA-N 1 2 420.510 1.740 20 0 HDADLO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164690257 719743244 /nfs/dbraw/zinc/74/32/44/719743244.db2.gz WXKQAYYFKBLZIM-UHFFFAOYSA-N 1 2 413.860 1.684 20 0 HDADLO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)CC2 ZINC001164690257 719743260 /nfs/dbraw/zinc/74/32/60/719743260.db2.gz WXKQAYYFKBLZIM-UHFFFAOYSA-N 1 2 413.860 1.684 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCC2)nc(C)n1 ZINC001164705283 719841717 /nfs/dbraw/zinc/84/17/17/719841717.db2.gz USJHSYWSOJGZCQ-UTKZUKDTSA-N 1 2 403.527 1.618 20 0 HDADLO COC(=O)c1cc(Cl)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164700438 719845422 /nfs/dbraw/zinc/84/54/22/719845422.db2.gz KPUOUGKUWNYNLC-AUUYWEPGSA-N 1 2 411.886 1.754 20 0 HDADLO COC(=O)c1nc(Cl)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164700598 719855894 /nfs/dbraw/zinc/85/58/94/719855894.db2.gz IELYKJOLLSFDSP-KPZWWZAWSA-N 1 2 412.874 1.149 20 0 HDADLO COC(=O)c1nc(Cl)cnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164700604 719856087 /nfs/dbraw/zinc/85/60/87/719856087.db2.gz IELYKJOLLSFDSP-SGTLLEGYSA-N 1 2 412.874 1.149 20 0 HDADLO CCOC(=O)c1ncnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1C ZINC001164706002 719857694 /nfs/dbraw/zinc/85/76/94/719857694.db2.gz VXXIPZBNVHNPRX-MGPUTAFESA-N 1 2 406.483 1.194 20 0 HDADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C(=O)N(C)OC ZINC001164702371 719863458 /nfs/dbraw/zinc/86/34/58/719863458.db2.gz IPYGDNGSSGEZFO-HRAATJIYSA-N 1 2 420.510 1.256 20 0 HDADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc[nH]c2nc(=S)sc1-2 ZINC001164704445 719866175 /nfs/dbraw/zinc/86/61/75/719866175.db2.gz MBGXBEXIYPIVHW-GTNSWQLSSA-N 1 2 409.537 1.608 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)OC(C)C ZINC001164701204 719876756 /nfs/dbraw/zinc/87/67/56/719876756.db2.gz FXVJYZUPZMALJD-IERDGZPVSA-N 1 2 405.495 1.880 20 0 HDADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C)CC2 ZINC001164703721 719877052 /nfs/dbraw/zinc/87/70/52/719877052.db2.gz KFYAQICYVKBEQD-VLIAUNLRSA-N 1 2 423.945 1.351 20 0 HDADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(C)CC2 ZINC001164703708 719877389 /nfs/dbraw/zinc/87/73/89/719877389.db2.gz KFYAQICYVKBEQD-JLTOFOAXSA-N 1 2 423.945 1.351 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164708870 719909344 /nfs/dbraw/zinc/90/93/44/719909344.db2.gz LGXVZHYMCNSFIT-UHFFFAOYSA-N 1 2 415.929 1.691 20 0 HDADLO CCOc1ccc(Cl)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709235 719912304 /nfs/dbraw/zinc/91/23/04/719912304.db2.gz RESIBDFBEOHLNJ-UHFFFAOYSA-N 1 2 418.929 1.818 20 0 HDADLO COc1ccc2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2c1 ZINC001164709770 719913423 /nfs/dbraw/zinc/91/34/23/719913423.db2.gz ZWMJNLSNPKHDDZ-UHFFFAOYSA-N 1 2 420.517 1.927 20 0 HDADLO Cc1noc(-c2cccnc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708334 719924448 /nfs/dbraw/zinc/92/44/48/719924448.db2.gz JRBXQFOWULWTIX-UHFFFAOYSA-N 1 2 422.493 1.124 20 0 HDADLO Cc1nc2ccsc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164703528 719931257 /nfs/dbraw/zinc/93/12/57/719931257.db2.gz KEDBZHBPHXASSO-UHFFFAOYSA-N 1 2 411.535 1.684 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164705484 719938442 /nfs/dbraw/zinc/93/84/42/719938442.db2.gz YVZHXULEEOSRGJ-UHFFFAOYSA-N 1 2 417.517 1.827 20 0 HDADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164703539 719939342 /nfs/dbraw/zinc/93/93/42/719939342.db2.gz KGOXNNPPDQGGHS-UHFFFAOYSA-N 1 2 413.913 1.900 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164719767 720213334 /nfs/dbraw/zinc/21/33/34/720213334.db2.gz UANCRGMKDFQVJP-KRWDZBQOSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164719767 720213339 /nfs/dbraw/zinc/21/33/39/720213339.db2.gz UANCRGMKDFQVJP-KRWDZBQOSA-N 1 2 402.873 1.945 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3N)C2)C1 ZINC001164720261 720253194 /nfs/dbraw/zinc/25/31/94/720253194.db2.gz SYDFIBCAZKPVLX-KRWDZBQOSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3N)C2)C1 ZINC001164720261 720253202 /nfs/dbraw/zinc/25/32/02/720253202.db2.gz SYDFIBCAZKPVLX-KRWDZBQOSA-N 1 2 417.888 1.527 20 0 HDADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(-c4cccc(F)c4)n3)C2)C1 ZINC001164721301 720292303 /nfs/dbraw/zinc/29/23/03/720292303.db2.gz JGTXFINGAWXPHY-OAQYLSRUSA-N 1 2 414.485 1.343 20 0 HDADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(-c4cccc(F)c4)n3)C2)C1 ZINC001164721301 720292311 /nfs/dbraw/zinc/29/23/11/720292311.db2.gz JGTXFINGAWXPHY-OAQYLSRUSA-N 1 2 414.485 1.343 20 0 HDADLO COc1cc(C)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827111 720450559 /nfs/dbraw/zinc/45/05/59/720450559.db2.gz ZDUHTXARGTYYKU-QGZVFWFLSA-N 1 2 401.511 1.585 20 0 HDADLO CSc1cc(C)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164826297 720451379 /nfs/dbraw/zinc/45/13/79/720451379.db2.gz VPIMTVBYCYLUII-INIZCTEOSA-N 1 2 418.567 1.693 20 0 HDADLO CCCc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828921 720464089 /nfs/dbraw/zinc/46/40/89/720464089.db2.gz CJPIWMLSUUONMP-QGZVFWFLSA-N 1 2 400.527 1.615 20 0 HDADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164856958 720896081 /nfs/dbraw/zinc/89/60/81/720896081.db2.gz IQZCEKAYNITLKX-UHFFFAOYSA-N 1 2 407.812 1.887 20 0 HDADLO COCCN1C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1=O ZINC001164902687 721572932 /nfs/dbraw/zinc/57/29/32/721572932.db2.gz LFGXBMNYHBMOHP-OALUTQOASA-N 1 2 407.518 1.576 20 0 HDADLO COCCN1C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1=O ZINC001164902687 721572933 /nfs/dbraw/zinc/57/29/33/721572933.db2.gz LFGXBMNYHBMOHP-OALUTQOASA-N 1 2 407.518 1.576 20 0 HDADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nnc(Cl)c3c1N(C)CCO3)C2 ZINC001165008977 721711698 /nfs/dbraw/zinc/71/16/98/721711698.db2.gz MEVAJBYJMPRJHS-UHFFFAOYSA-N 1 2 406.922 1.801 20 0 HDADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nnc(Cl)c3c1N(C)CCO3)C2 ZINC001165008977 721711704 /nfs/dbraw/zinc/71/17/04/721711704.db2.gz MEVAJBYJMPRJHS-UHFFFAOYSA-N 1 2 406.922 1.801 20 0 HDADLO CN(C)c1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912756 721767843 /nfs/dbraw/zinc/76/78/43/721767843.db2.gz PLQVEOKOTAFFPR-FQEVSTJZSA-N 1 2 418.929 1.699 20 0 HDADLO CN(C)c1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912756 721767850 /nfs/dbraw/zinc/76/78/50/721767850.db2.gz PLQVEOKOTAFFPR-FQEVSTJZSA-N 1 2 418.929 1.699 20 0 HDADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915215 721784494 /nfs/dbraw/zinc/78/44/94/721784494.db2.gz KJXJDICGEBACOD-ZHRRBRCNSA-N 1 2 424.505 1.425 20 0 HDADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915215 721784496 /nfs/dbraw/zinc/78/44/96/721784496.db2.gz KJXJDICGEBACOD-ZHRRBRCNSA-N 1 2 424.505 1.425 20 0 HDADLO CN(C)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915173 721785389 /nfs/dbraw/zinc/78/53/89/721785389.db2.gz JIAUNXKMIGKAPW-HXUWFJFHSA-N 1 2 418.929 1.699 20 0 HDADLO CN(C)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915173 721785395 /nfs/dbraw/zinc/78/53/95/721785395.db2.gz JIAUNXKMIGKAPW-HXUWFJFHSA-N 1 2 418.929 1.699 20 0 HDADLO C[C@H]1C(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915579 721785613 /nfs/dbraw/zinc/78/56/13/721785613.db2.gz LLNQFOBCOXFULD-QVKFZJNVSA-N 1 2 410.478 1.035 20 0 HDADLO C[C@H]1C(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915579 721785618 /nfs/dbraw/zinc/78/56/18/721785618.db2.gz LLNQFOBCOXFULD-QVKFZJNVSA-N 1 2 410.478 1.035 20 0 HDADLO Cc1cn(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cn1 ZINC001164916032 721789184 /nfs/dbraw/zinc/78/91/84/721789184.db2.gz OBFWIIMSENBWSA-JOCHJYFZSA-N 1 2 421.505 1.474 20 0 HDADLO Cc1cn(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cn1 ZINC001164916032 721789192 /nfs/dbraw/zinc/78/91/92/721789192.db2.gz OBFWIIMSENBWSA-JOCHJYFZSA-N 1 2 421.505 1.474 20 0 HDADLO CC(=O)Nc1c(C)ccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916742 721791493 /nfs/dbraw/zinc/79/14/93/721791493.db2.gz SYXVYGKCECTTNP-JOCHJYFZSA-N 1 2 411.506 1.851 20 0 HDADLO CC(=O)Nc1c(C)ccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916742 721791496 /nfs/dbraw/zinc/79/14/96/721791496.db2.gz SYXVYGKCECTTNP-JOCHJYFZSA-N 1 2 411.506 1.851 20 0 HDADLO CC1(C)C(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164915136 721792509 /nfs/dbraw/zinc/79/25/09/721792509.db2.gz IKMNSQFLZPBOLJ-JOCHJYFZSA-N 1 2 424.505 1.209 20 0 HDADLO CC1(C)C(=O)Nc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164915136 721792515 /nfs/dbraw/zinc/79/25/15/721792515.db2.gz IKMNSQFLZPBOLJ-JOCHJYFZSA-N 1 2 424.505 1.209 20 0 HDADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(S(=O)(=O)NC3CC3)cn2)CC1 ZINC001164918770 721819581 /nfs/dbraw/zinc/81/95/81/721819581.db2.gz UVXBZKUSKAXJPZ-UHFFFAOYSA-N 1 2 416.551 1.468 20 0 HDADLO Cc1c[nH+]c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1N1CCCC1 ZINC001164929335 721902435 /nfs/dbraw/zinc/90/24/35/721902435.db2.gz FFCWZWWCDIRVFV-UHFFFAOYSA-N 1 2 411.554 1.990 20 0 HDADLO CCOC(=O)c1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946816 721973183 /nfs/dbraw/zinc/97/31/83/721973183.db2.gz WNHZMIYCEZNZOI-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO CCOC(=O)c1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946816 721973185 /nfs/dbraw/zinc/97/31/85/721973185.db2.gz WNHZMIYCEZNZOI-UHFFFAOYSA-N 1 2 409.490 1.624 20 0 HDADLO NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948456 721974215 /nfs/dbraw/zinc/97/42/15/721974215.db2.gz ZJVZGUPDIBDQRG-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948456 721974218 /nfs/dbraw/zinc/97/42/18/721974218.db2.gz ZJVZGUPDIBDQRG-UHFFFAOYSA-N 1 2 413.909 1.805 20 0 HDADLO CO[C@H](CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)c1ccc(Cl)cc1 ZINC000509075323 1073469992 /nfs/dbraw/zinc/46/99/92/1073469992.db2.gz POTYTCZHZQXOFI-MRXNPFEDSA-N 1 2 409.870 1.541 20 0 HDADLO CCCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429050084 1073473163 /nfs/dbraw/zinc/47/31/63/1073473163.db2.gz CRAQOBAYSCJJFH-WOJBJXKFSA-N 1 2 423.579 1.886 20 0 HDADLO CCCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000429050084 1073473167 /nfs/dbraw/zinc/47/31/67/1073473167.db2.gz CRAQOBAYSCJJFH-WOJBJXKFSA-N 1 2 423.579 1.886 20 0 HDADLO COc1ccccc1OC[C@@H](C)CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671399311 1073504992 /nfs/dbraw/zinc/50/49/92/1073504992.db2.gz XNIQQDQKBXSXIL-KRWDZBQOSA-N 1 2 411.502 1.958 20 0 HDADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)NCCCc2nnc3ccccn32)CCC(=O)N1C1CC1 ZINC000509100072 1073518540 /nfs/dbraw/zinc/51/85/40/1073518540.db2.gz YGGMVGCMDRSURV-IIBYNOLFSA-N 1 2 421.505 1.654 20 0 HDADLO CCOC1CC(CNC(=O)NCCNC(=O)CC2CCCC2)([NH+]2CCOCC2)C1 ZINC000429094008 1073558912 /nfs/dbraw/zinc/55/89/12/1073558912.db2.gz CHJXNSJSOXRBHT-UHFFFAOYSA-N 1 2 410.559 1.252 20 0 HDADLO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001128519186 1073568695 /nfs/dbraw/zinc/56/86/95/1073568695.db2.gz MDXXUMHXQJKRNE-XJKSGUPXSA-N 1 2 407.517 1.663 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccccn1 ZINC000509125490 1073638349 /nfs/dbraw/zinc/63/83/49/1073638349.db2.gz PLNDZKVZLPKOST-OAQYLSRUSA-N 1 2 416.547 1.855 20 0 HDADLO Cc1cccn2cc(CCNC(=O)c3c(C)cc(=O)n(CC(=O)NC(C)C)c3C)[nH+]c12 ZINC000673747492 1073681223 /nfs/dbraw/zinc/68/12/23/1073681223.db2.gz PUCAHPHQGSVRPS-UHFFFAOYSA-N 1 2 423.517 1.918 20 0 HDADLO CCOC(=O)c1sc2ncnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)c2c1C ZINC000028800814 1073693518 /nfs/dbraw/zinc/69/35/18/1073693518.db2.gz OKATWUVJGJUQSM-CYBMUJFWSA-N 1 2 417.535 1.966 20 0 HDADLO COC(=O)C[C@@](C)([NH2+]CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccn1 ZINC000509138256 1073704278 /nfs/dbraw/zinc/70/42/78/1073704278.db2.gz MVDZWBLXWDYHTM-JOCHJYFZSA-N 1 2 418.538 1.555 20 0 HDADLO Cc1cccn2cc(CCNC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)[nH+]c12 ZINC000673769272 1073713102 /nfs/dbraw/zinc/71/31/02/1073713102.db2.gz SFHVGRPVDAWDSU-UHFFFAOYSA-N 1 2 412.494 1.739 20 0 HDADLO O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673784268 1073724372 /nfs/dbraw/zinc/72/43/72/1073724372.db2.gz YQHSKPUJDQGSNR-GOSISDBHSA-N 1 2 424.505 1.611 20 0 HDADLO O=C(Nc1ccc(F)cc1Br)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673785724 1073730641 /nfs/dbraw/zinc/73/06/41/1073730641.db2.gz XZBBYTHAHZNCDM-CYBMUJFWSA-N 1 2 414.275 1.850 20 0 HDADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673787044 1073740686 /nfs/dbraw/zinc/74/06/86/1073740686.db2.gz NWKSLWFUNWKARU-UHFFFAOYSA-N 1 2 414.487 1.734 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(C(=O)NC4CC4)c3)[nH+]c12 ZINC000673787792 1073741404 /nfs/dbraw/zinc/74/14/04/1073741404.db2.gz AWHIVJGHSHKLSG-UHFFFAOYSA-N 1 2 405.458 1.832 20 0 HDADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(-n4cnnn4)c(C)c3)[nH+]c12 ZINC000673789388 1073743624 /nfs/dbraw/zinc/74/36/24/1073743624.db2.gz URRJRKYBZCSEOU-UHFFFAOYSA-N 1 2 404.434 1.224 20 0 HDADLO CCC[C@@H]1CN(S(=O)(=O)c2c(C)[nH]c(C(=O)OCC)c2C)CC[N@@H+]1CCOC ZINC000501158845 1073759547 /nfs/dbraw/zinc/75/95/47/1073759547.db2.gz RXFXEEATSKPACT-MRXNPFEDSA-N 1 2 415.556 1.930 20 0 HDADLO CCC[C@@H]1CN(S(=O)(=O)c2c(C)[nH]c(C(=O)OCC)c2C)CC[N@H+]1CCOC ZINC000501158845 1073759558 /nfs/dbraw/zinc/75/95/58/1073759558.db2.gz RXFXEEATSKPACT-MRXNPFEDSA-N 1 2 415.556 1.930 20 0 HDADLO COc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1C(=O)N(C)C ZINC000673824322 1073768977 /nfs/dbraw/zinc/76/89/77/1073768977.db2.gz JQYFHONZWNNOBM-UHFFFAOYSA-N 1 2 416.503 1.874 20 0 HDADLO COc1ccc(C(=O)N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)c(OC)c1OC ZINC000673857100 1073825457 /nfs/dbraw/zinc/82/54/57/1073825457.db2.gz DIOQYFGAQWAMMB-UHFFFAOYSA-N 1 2 401.463 1.369 20 0 HDADLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000429158836 1073876603 /nfs/dbraw/zinc/87/66/03/1073876603.db2.gz PJNZNTQCAGMASV-UHFFFAOYSA-N 1 2 421.851 1.600 20 0 HDADLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000429158836 1073876618 /nfs/dbraw/zinc/87/66/18/1073876618.db2.gz PJNZNTQCAGMASV-UHFFFAOYSA-N 1 2 421.851 1.600 20 0 HDADLO C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2F)CC1)c1nnnn1-c1ccccc1 ZINC000543501627 1073882520 /nfs/dbraw/zinc/88/25/20/1073882520.db2.gz ZIKVCGNATYJEMI-INIZCTEOSA-N 1 2 409.469 1.801 20 0 HDADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030541132 1073939166 /nfs/dbraw/zinc/93/91/66/1073939166.db2.gz XUFCXXQYWVJNMG-AWEZNQCLSA-N 1 2 411.524 1.898 20 0 HDADLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000543524513 1073998777 /nfs/dbraw/zinc/99/87/77/1073998777.db2.gz MISZXZCOTWDFAZ-LJQANCHMSA-N 1 2 409.490 1.368 20 0 HDADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)c1C ZINC000543529172 1074009472 /nfs/dbraw/zinc/00/94/72/1074009472.db2.gz HESZSXIKPJCARF-UHFFFAOYSA-N 1 2 408.462 1.944 20 0 HDADLO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000509190886 1074011317 /nfs/dbraw/zinc/01/13/17/1074011317.db2.gz XCIGHLCGCKQATO-UHFFFAOYSA-N 1 2 412.537 1.503 20 0 HDADLO O=C(Nc1ccccc1Nc1ccc(F)cc1F)C(=O)N1CC[NH+](CCO)CC1 ZINC000543528922 1074017839 /nfs/dbraw/zinc/01/78/39/1074017839.db2.gz ZMFCAOJITYXMNN-UHFFFAOYSA-N 1 2 404.417 1.783 20 0 HDADLO CCn1cnnc1-c1ccccc1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000543528539 1074018580 /nfs/dbraw/zinc/01/85/80/1074018580.db2.gz LDWPMMNEKWIHJO-HNNXBMFYSA-N 1 2 405.462 1.694 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)s[nH]2)c1 ZINC000543531161 1074022414 /nfs/dbraw/zinc/02/24/14/1074022414.db2.gz JFKGCMOZYMUDMS-CQSZACIVSA-N 1 2 405.524 1.667 20 0 HDADLO Cc1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC[C@H]2CCCO2)c1 ZINC000466601502 1074066207 /nfs/dbraw/zinc/06/62/07/1074066207.db2.gz QWVJSXVDKADARB-VQTJNVASSA-N 1 2 421.538 1.387 20 0 HDADLO COc1cccc(-c2nc(=NC(=O)C(=O)NCC3([NH+](C)C)CCCC3)s[nH]2)c1 ZINC000543548765 1074071774 /nfs/dbraw/zinc/07/17/74/1074071774.db2.gz KRCDVVNRSILBRI-UHFFFAOYSA-N 1 2 403.508 1.565 20 0 HDADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C ZINC000674024237 1074084549 /nfs/dbraw/zinc/08/45/49/1074084549.db2.gz OGPXMHXDPDSVSR-QGZVFWFLSA-N 1 2 402.582 1.823 20 0 HDADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCC(=O)OC(C)(C)C)CC1 ZINC000466606433 1074088549 /nfs/dbraw/zinc/08/85/49/1074088549.db2.gz IAGXSQVAMDPQGU-UHFFFAOYSA-N 1 2 403.487 1.317 20 0 HDADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2-c2nncn2C(C)C)CC1 ZINC000543553878 1074088640 /nfs/dbraw/zinc/08/86/40/1074088640.db2.gz KMYSKNFYOGTCSG-UHFFFAOYSA-N 1 2 400.483 1.255 20 0 HDADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H](CCO)c2ccccc2)CC1 ZINC000674196015 1074209849 /nfs/dbraw/zinc/20/98/49/1074209849.db2.gz CDFRVPTWSJTMSD-LJQANCHMSA-N 1 2 424.501 1.253 20 0 HDADLO O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674202085 1074217150 /nfs/dbraw/zinc/21/71/50/1074217150.db2.gz LNWPMYTUBCXXCB-QGZVFWFLSA-N 1 2 417.491 1.225 20 0 HDADLO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674203100 1074217457 /nfs/dbraw/zinc/21/74/57/1074217457.db2.gz DEIUEBBLGGLNQQ-KRWDZBQOSA-N 1 2 406.446 1.650 20 0 HDADLO O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674202975 1074217605 /nfs/dbraw/zinc/21/76/05/1074217605.db2.gz IDCPYQAIAYCTJX-HNNXBMFYSA-N 1 2 424.440 1.678 20 0 HDADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000674202333 1074218524 /nfs/dbraw/zinc/21/85/24/1074218524.db2.gz RZHLQJYKXJKVKA-HNNXBMFYSA-N 1 2 412.479 1.383 20 0 HDADLO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C ZINC000674203722 1074219014 /nfs/dbraw/zinc/21/90/14/1074219014.db2.gz PVAKLDGJHMUMCC-INIZCTEOSA-N 1 2 419.507 1.755 20 0 HDADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc21 ZINC000674204439 1074219922 /nfs/dbraw/zinc/21/99/22/1074219922.db2.gz UGKYCOVIVFXVSO-KRWDZBQOSA-N 1 2 408.462 1.386 20 0 HDADLO COCCn1ncc2ccc(NC(=O)C(=O)N3CC[NH+](CCOC(C)C)CC3)cc21 ZINC000674219024 1074230389 /nfs/dbraw/zinc/23/03/89/1074230389.db2.gz MHCALCPDSAHGAM-UHFFFAOYSA-N 1 2 417.510 1.190 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000674367866 1074297240 /nfs/dbraw/zinc/29/72/40/1074297240.db2.gz AVBZBHHUZSLEHQ-SJORKVTESA-N 1 2 418.563 1.664 20 0 HDADLO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674368536 1074298493 /nfs/dbraw/zinc/29/84/93/1074298493.db2.gz PKTAHIMPGHCKLP-VQIMIIECSA-N 1 2 405.539 1.254 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC000674368738 1074298505 /nfs/dbraw/zinc/29/85/05/1074298505.db2.gz UFTPUZGZECEYMA-JTQLQIEISA-N 1 2 403.357 1.317 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000674400689 1074308500 /nfs/dbraw/zinc/30/85/00/1074308500.db2.gz MXZCEMZHRXIZJG-OALUTQOASA-N 1 2 401.511 1.038 20 0 HDADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000674396640 1074310579 /nfs/dbraw/zinc/31/05/79/1074310579.db2.gz UPBCWSSLIZFIGK-RDJZCZTQSA-N 1 2 412.481 1.126 20 0 HDADLO COC[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000674399328 1074311165 /nfs/dbraw/zinc/31/11/65/1074311165.db2.gz YXMGIFJUAUDJTA-IRXDYDNUSA-N 1 2 419.444 1.727 20 0 HDADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000674407280 1074316414 /nfs/dbraw/zinc/31/64/14/1074316414.db2.gz XOBOLJJYUMPJOM-VIFPVBQESA-N 1 2 422.682 1.705 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000674428100 1074330796 /nfs/dbraw/zinc/33/07/96/1074330796.db2.gz XFIYMRVHWRRVOC-IERDGZPVSA-N 1 2 414.510 1.592 20 0 HDADLO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000674437558 1074336376 /nfs/dbraw/zinc/33/63/76/1074336376.db2.gz AXMMIVPDSZMFGK-LIRRHRJNSA-N 1 2 405.524 1.296 20 0 HDADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000674466450 1074364512 /nfs/dbraw/zinc/36/45/12/1074364512.db2.gz WIUAKBLXIRQEFH-XWOWGUDISA-N 1 2 424.497 1.932 20 0 HDADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000674466450 1074364523 /nfs/dbraw/zinc/36/45/23/1074364523.db2.gz WIUAKBLXIRQEFH-XWOWGUDISA-N 1 2 424.497 1.932 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CCN2C1=O ZINC000674470168 1074367794 /nfs/dbraw/zinc/36/77/94/1074367794.db2.gz PXRSARDTEYEJMK-WBMJQRKESA-N 1 2 410.877 1.794 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3c(F)cccc3Cl)CCN2C1=O ZINC000674470168 1074367803 /nfs/dbraw/zinc/36/78/03/1074367803.db2.gz PXRSARDTEYEJMK-WBMJQRKESA-N 1 2 410.877 1.794 20 0 HDADLO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 ZINC000674469554 1074368450 /nfs/dbraw/zinc/36/84/50/1074368450.db2.gz GNYIXSYYKBDQAO-FJKMSNPNSA-N 1 2 403.479 1.436 20 0 HDADLO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 ZINC000674469554 1074368454 /nfs/dbraw/zinc/36/84/54/1074368454.db2.gz GNYIXSYYKBDQAO-FJKMSNPNSA-N 1 2 403.479 1.436 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674470572 1074369502 /nfs/dbraw/zinc/36/95/02/1074369502.db2.gz ZCBAZHMOLZEBDT-IEBWSBKVSA-N 1 2 400.479 1.231 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)CCN2C1=O ZINC000674470572 1074369511 /nfs/dbraw/zinc/36/95/11/1074369511.db2.gz ZCBAZHMOLZEBDT-IEBWSBKVSA-N 1 2 400.479 1.231 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000674470406 1074369529 /nfs/dbraw/zinc/36/95/29/1074369529.db2.gz VGAXVDPMSSBGBZ-HNNXBMFYSA-N 1 2 413.305 1.920 20 0 HDADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000674470406 1074369537 /nfs/dbraw/zinc/36/95/37/1074369537.db2.gz VGAXVDPMSSBGBZ-HNNXBMFYSA-N 1 2 413.305 1.920 20 0 HDADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N3CCC(OCc4ccccc4)CC3)CCN2C1=O ZINC000674502724 1074399106 /nfs/dbraw/zinc/39/91/06/1074399106.db2.gz ZUTFLOGHJIPOJX-LJQANCHMSA-N 1 2 414.506 1.163 20 0 HDADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N3CCC(OCc4ccccc4)CC3)CCN2C1=O ZINC000674502724 1074399113 /nfs/dbraw/zinc/39/91/13/1074399113.db2.gz ZUTFLOGHJIPOJX-LJQANCHMSA-N 1 2 414.506 1.163 20 0 HDADLO O=C(C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)N1CCN(c2cnccn2)CC1 ZINC000674498336 1074408493 /nfs/dbraw/zinc/40/84/93/1074408493.db2.gz XJWHWCFDBOJNGI-VXGBXAGGSA-N 1 2 411.350 1.798 20 0 HDADLO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000674568055 1074444500 /nfs/dbraw/zinc/44/45/00/1074444500.db2.gz FYQKFAVJILUUNW-UHFFFAOYSA-N 1 2 408.422 1.991 20 0 HDADLO CC(C)[C@H](C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509232133 1074479816 /nfs/dbraw/zinc/47/98/16/1074479816.db2.gz IXLQGRDNEBCOEV-FUHIMQAGSA-N 1 2 423.579 1.994 20 0 HDADLO CC(C)[C@H](C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509232133 1074479822 /nfs/dbraw/zinc/47/98/22/1074479822.db2.gz IXLQGRDNEBCOEV-FUHIMQAGSA-N 1 2 423.579 1.994 20 0 HDADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674921298 1074622329 /nfs/dbraw/zinc/62/23/29/1074622329.db2.gz CORFCNCEFKZCPQ-NHCUHLMSSA-N 1 2 419.522 1.487 20 0 HDADLO CS(=O)(=O)Nc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cn1 ZINC001128910008 1074664714 /nfs/dbraw/zinc/66/47/14/1074664714.db2.gz PSFVHOQWQXWBSP-UHFFFAOYSA-N 1 2 409.537 1.688 20 0 HDADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1)[NH+]1CCOCC1 ZINC000674996777 1074672599 /nfs/dbraw/zinc/67/25/99/1074672599.db2.gz KLHXNGXPVCKCKO-AHRSYUTCSA-N 1 2 417.506 1.425 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CCN2C1=O ZINC000675086264 1074702078 /nfs/dbraw/zinc/70/20/78/1074702078.db2.gz JBFOJBQLXSHZPW-MRXNPFEDSA-N 1 2 400.483 1.250 20 0 HDADLO CCN1C(=O)[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CCN2C1=O ZINC000675086263 1074702173 /nfs/dbraw/zinc/70/21/73/1074702173.db2.gz JBFOJBQLXSHZPW-INIZCTEOSA-N 1 2 400.483 1.250 20 0 HDADLO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000429317197 1074716843 /nfs/dbraw/zinc/71/68/43/1074716843.db2.gz YDOWOJJSXFDJTH-ZDUSSCGKSA-N 1 2 418.885 1.491 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)CCN2C1=O ZINC000675104809 1074720255 /nfs/dbraw/zinc/72/02/55/1074720255.db2.gz LZOFPBUQSINRKG-DZGCQCFKSA-N 1 2 420.539 1.875 20 0 HDADLO CCN1C(=O)[C@H]2CN(C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)CCN2C1=O ZINC000675104809 1074720263 /nfs/dbraw/zinc/72/02/63/1074720263.db2.gz LZOFPBUQSINRKG-DZGCQCFKSA-N 1 2 420.539 1.875 20 0 HDADLO COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)CC2 ZINC000675106378 1074722163 /nfs/dbraw/zinc/72/21/63/1074722163.db2.gz WBVDSUXQPPEBTI-DLBZAZTESA-N 1 2 409.494 1.756 20 0 HDADLO C[C@@H]1C[N@H+](CCNc2nc3cccnc3nc2NCCN2CCO[C@@H](C)C2)CCO1 ZINC000675151007 1074737439 /nfs/dbraw/zinc/73/74/39/1074737439.db2.gz YHGSTHMBGXSFFK-SJORKVTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H]1C[N@@H+](CCNc2nc3cccnc3nc2NCCN2CCO[C@@H](C)C2)CCO1 ZINC000675151007 1074737447 /nfs/dbraw/zinc/73/74/47/1074737447.db2.gz YHGSTHMBGXSFFK-SJORKVTESA-N 1 2 415.542 1.290 20 0 HDADLO C[C@@H](CN1CCOCC1)Nc1nc2ncccc2nc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000675143050 1074741766 /nfs/dbraw/zinc/74/17/66/1074741766.db2.gz MZKRVYZSUQKWKC-IRXDYDNUSA-N 1 2 415.542 1.290 20 0 HDADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3ccc4c(c3)C(=O)NCC4)ccn2)CC1 ZINC000543614806 1074750355 /nfs/dbraw/zinc/75/03/55/1074750355.db2.gz WECWNQZLWBNTQC-UHFFFAOYSA-N 1 2 422.489 1.077 20 0 HDADLO O=C(c1ccco1)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218985 1074760202 /nfs/dbraw/zinc/76/02/02/1074760202.db2.gz PXZSYNDJZFNTRI-WOJBJXKFSA-N 1 2 409.486 1.780 20 0 HDADLO O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675218755 1074760552 /nfs/dbraw/zinc/76/05/52/1074760552.db2.gz YXPVKCGKUQVTKP-CQSZACIVSA-N 1 2 424.295 1.108 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000675218933 1074760568 /nfs/dbraw/zinc/76/05/68/1074760568.db2.gz MJZMRCMYCWNFDP-IBGZPJMESA-N 1 2 421.563 1.329 20 0 HDADLO COc1ccccc1[C@@H](CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543617165 1074761042 /nfs/dbraw/zinc/76/10/42/1074761042.db2.gz RCDJGSFLIVCOPJ-GOSISDBHSA-N 1 2 413.478 1.333 20 0 HDADLO COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000675219875 1074761897 /nfs/dbraw/zinc/76/18/97/1074761897.db2.gz QYTZQCPRAOKBJM-ZBFHGGJFSA-N 1 2 407.898 1.635 20 0 HDADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[NH+]([C@H]3CCOC3)CC1)C2=O ZINC000675219767 1074762374 /nfs/dbraw/zinc/76/23/74/1074762374.db2.gz MXEDGZFZNZKMKK-XFQAVAEZSA-N 1 2 406.527 1.056 20 0 HDADLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444594448 1074775277 /nfs/dbraw/zinc/77/52/77/1074775277.db2.gz JTEYBNOWJHOISZ-UHFFFAOYSA-N 1 2 402.405 1.690 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000675251363 1074778018 /nfs/dbraw/zinc/77/80/18/1074778018.db2.gz OXDCUKPAFZDQEJ-SFHVURJKSA-N 1 2 405.524 1.754 20 0 HDADLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000675251363 1074778027 /nfs/dbraw/zinc/77/80/27/1074778027.db2.gz OXDCUKPAFZDQEJ-SFHVURJKSA-N 1 2 405.524 1.754 20 0 HDADLO O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280557 1074785545 /nfs/dbraw/zinc/78/55/45/1074785545.db2.gz IKQKIQDCZYACRZ-INIZCTEOSA-N 1 2 409.442 1.623 20 0 HDADLO O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000675281944 1074785927 /nfs/dbraw/zinc/78/59/27/1074785927.db2.gz XLHLGVVZTILSDF-FGZHOGPDSA-N 1 2 407.514 1.961 20 0 HDADLO C[C@H](C[C@H]1CCOC1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000675313176 1074801958 /nfs/dbraw/zinc/80/19/58/1074801958.db2.gz CAHOIOMPTLMGMB-KZNAEPCWSA-N 1 2 418.542 1.396 20 0 HDADLO C[C@H](C[C@H]1CCOC1)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000675313176 1074801962 /nfs/dbraw/zinc/80/19/62/1074801962.db2.gz CAHOIOMPTLMGMB-KZNAEPCWSA-N 1 2 418.542 1.396 20 0 HDADLO O=C(NCc1ccc(OC2CCCC2)nc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438312522 1074807486 /nfs/dbraw/zinc/80/74/86/1074807486.db2.gz BWVKPYLWBJLDHD-UHFFFAOYSA-N 1 2 414.510 2.253 20 0 HDADLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606090440 1074810606 /nfs/dbraw/zinc/81/06/06/1074810606.db2.gz OHBYHCGIKZGIFS-UHFFFAOYSA-N 1 2 401.430 1.767 20 0 HDADLO CCCCC1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448508629 1074816010 /nfs/dbraw/zinc/81/60/10/1074816010.db2.gz VIXOVDVYGWYKLP-UHFFFAOYSA-N 1 2 405.543 2.019 20 0 HDADLO Cc1cccn2c(CNc3cc(C(N)=O)ccc3CN3C(=O)CN(C)C3=O)c[nH+]c12 ZINC000543622361 1074819149 /nfs/dbraw/zinc/81/91/49/1074819149.db2.gz KEUZICOUALFOIV-UHFFFAOYSA-N 1 2 406.446 1.748 20 0 HDADLO CC[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccccc1OCC(=O)N(C)C ZINC000429333163 1075102124 /nfs/dbraw/zinc/10/21/24/1075102124.db2.gz KKYMALDLQCGKIY-ZDUSSCGKSA-N 1 2 400.405 1.943 20 0 HDADLO O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000550574370 1075103562 /nfs/dbraw/zinc/10/35/62/1075103562.db2.gz PDYJYVJBTNMKLW-LBPRGKRZSA-N 1 2 423.926 1.911 20 0 HDADLO Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(C)ccc3-n3cc[nH+]c3)CC2)no1 ZINC000605399810 1075114890 /nfs/dbraw/zinc/11/48/90/1075114890.db2.gz YXKZRWLRPZGPOC-UHFFFAOYSA-N 1 2 408.462 1.874 20 0 HDADLO CCCN(CC1CCCCC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448505268 1075120041 /nfs/dbraw/zinc/12/00/41/1075120041.db2.gz NDTNOTXTTRUFBE-UHFFFAOYSA-N 1 2 405.543 1.973 20 0 HDADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1)[NH+]1CCOCC1 ZINC000675396700 1075125999 /nfs/dbraw/zinc/12/59/99/1075125999.db2.gz JQAWYRCPHVMUBQ-MJGOQNOKSA-N 1 2 413.522 1.904 20 0 HDADLO CCCNC(=O)Nc1ccc(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000517509118 1075127055 /nfs/dbraw/zinc/12/70/55/1075127055.db2.gz ZRJINADQQWTCCK-UHFFFAOYSA-N 1 2 414.510 1.928 20 0 HDADLO CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000596172199 1075139915 /nfs/dbraw/zinc/13/99/15/1075139915.db2.gz RCXUXKSJWGVYDG-UHFFFAOYSA-N 1 2 421.523 1.619 20 0 HDADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000675494505 1075177992 /nfs/dbraw/zinc/17/79/92/1075177992.db2.gz YPBWSRVFRCZNMH-UHFFFAOYSA-N 1 2 409.895 1.732 20 0 HDADLO NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000675494505 1075177996 /nfs/dbraw/zinc/17/79/96/1075177996.db2.gz YPBWSRVFRCZNMH-UHFFFAOYSA-N 1 2 409.895 1.732 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000443895256 1075186097 /nfs/dbraw/zinc/18/60/97/1075186097.db2.gz BYNGTFSPODJXMP-FQEVSTJZSA-N 1 2 413.522 2.119 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000443895260 1075186153 /nfs/dbraw/zinc/18/61/53/1075186153.db2.gz BYNGTFSPODJXMP-HXUWFJFHSA-N 1 2 413.522 2.119 20 0 HDADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCC(S(C)(=O)=O)CC3)n2)CC1 ZINC000675505304 1075186910 /nfs/dbraw/zinc/18/69/10/1075186910.db2.gz FJHXLGBQYUQPFX-UHFFFAOYSA-N 1 2 414.597 1.823 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1(c2noc(C(F)F)n2)CCC1 ZINC000645009176 1075188209 /nfs/dbraw/zinc/18/82/09/1075188209.db2.gz GWRHPQOIJDGNMZ-UHFFFAOYSA-N 1 2 411.413 1.737 20 0 HDADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cnnn1-c1ccccc1Cl ZINC000596042063 1075191767 /nfs/dbraw/zinc/19/17/67/1075191767.db2.gz SRCMJRCNBHWCML-UHFFFAOYSA-N 1 2 401.858 1.702 20 0 HDADLO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)no1 ZINC000518958549 1075203489 /nfs/dbraw/zinc/20/34/89/1075203489.db2.gz UHZAAZICZFMCPB-CVEARBPZSA-N 1 2 410.540 1.757 20 0 HDADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000675583709 1075213409 /nfs/dbraw/zinc/21/34/09/1075213409.db2.gz PQELKBHMKIPJLG-UHFFFAOYSA-N 1 2 418.523 1.399 20 0 HDADLO CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446750616 1075216920 /nfs/dbraw/zinc/21/69/20/1075216920.db2.gz IINPWRHVRQSCEF-UHFFFAOYSA-N 1 2 419.913 1.856 20 0 HDADLO COCCN(C(=O)C[N@H+](C)Cc1occc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000429365259 1075235411 /nfs/dbraw/zinc/23/54/11/1075235411.db2.gz OLQKTMGSKZHYSG-UHFFFAOYSA-N 1 2 421.498 1.200 20 0 HDADLO COCCN(C(=O)C[N@@H+](C)Cc1occc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000429365259 1075235415 /nfs/dbraw/zinc/23/54/15/1075235415.db2.gz OLQKTMGSKZHYSG-UHFFFAOYSA-N 1 2 421.498 1.200 20 0 HDADLO CCNS(=O)(=O)c1ccc(CNC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000675656132 1075250032 /nfs/dbraw/zinc/25/00/32/1075250032.db2.gz XLTLCFNRRLEUBV-UHFFFAOYSA-N 1 2 415.519 1.983 20 0 HDADLO CCOC1CC(CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)([NH+]2CCOCC2)C1 ZINC000429372392 1075255113 /nfs/dbraw/zinc/25/51/13/1075255113.db2.gz NCSJCVSMAJEJCD-BQTBQCLESA-N 1 2 409.531 1.997 20 0 HDADLO COCCOCc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000675702089 1075256621 /nfs/dbraw/zinc/25/66/21/1075256621.db2.gz QXAKMHSRYBNAJH-WOJBJXKFSA-N 1 2 419.522 1.548 20 0 HDADLO CCN1CCc2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc21 ZINC000675702192 1075256811 /nfs/dbraw/zinc/25/68/11/1075256811.db2.gz XSFOEOVRBXSMEM-RTBURBONSA-N 1 2 400.523 1.767 20 0 HDADLO O=C(Nc1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675702117 1075256930 /nfs/dbraw/zinc/25/69/30/1075256930.db2.gz SIDJCLJQWTVEEN-IRXDYDNUSA-N 1 2 403.479 1.546 20 0 HDADLO Cc1cc2nc(C)c(CCC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c(C)n2n1 ZINC000596033256 1075260609 /nfs/dbraw/zinc/26/06/09/1075260609.db2.gz OFOXMOOGOWRVCK-UHFFFAOYSA-N 1 2 411.510 1.755 20 0 HDADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000509369954 1075273974 /nfs/dbraw/zinc/27/39/74/1075273974.db2.gz FEBRBZZKIINDQK-HDICACEKSA-N 1 2 419.551 1.344 20 0 HDADLO O=S(=O)(c1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1)N1CCOCC1 ZINC000522901076 1075283776 /nfs/dbraw/zinc/28/37/76/1075283776.db2.gz UNHYAUBXVCXAHV-UHFFFAOYSA-N 1 2 403.508 1.932 20 0 HDADLO O=S(=O)(c1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1)N1CCOCC1 ZINC000522901076 1075283781 /nfs/dbraw/zinc/28/37/81/1075283781.db2.gz UNHYAUBXVCXAHV-UHFFFAOYSA-N 1 2 403.508 1.932 20 0 HDADLO COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000675935634 1075296716 /nfs/dbraw/zinc/29/67/16/1075296716.db2.gz KXALAIYAPVHRBL-UHFFFAOYSA-N 1 2 424.501 1.646 20 0 HDADLO COc1cc(OC)c(OC)cc1NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000675932307 1075307865 /nfs/dbraw/zinc/30/78/65/1075307865.db2.gz RIVBRJPOUMTMOI-UHFFFAOYSA-N 1 2 412.446 1.966 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000731445741 1075342366 /nfs/dbraw/zinc/34/23/66/1075342366.db2.gz AIJFFENBAUJAAY-AWEZNQCLSA-N 1 2 423.514 1.772 20 0 HDADLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000731445741 1075342371 /nfs/dbraw/zinc/34/23/71/1075342371.db2.gz AIJFFENBAUJAAY-AWEZNQCLSA-N 1 2 423.514 1.772 20 0 HDADLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)Nc1cc(C(C)C)on1)CC2 ZINC000441989626 1075342515 /nfs/dbraw/zinc/34/25/15/1075342515.db2.gz WYMNOQKVEHEIFG-UHFFFAOYSA-N 1 2 416.478 1.928 20 0 HDADLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)Nc1cc(C(C)C)on1)CC2 ZINC000441989626 1075342519 /nfs/dbraw/zinc/34/25/19/1075342519.db2.gz WYMNOQKVEHEIFG-UHFFFAOYSA-N 1 2 416.478 1.928 20 0 HDADLO COc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1-c1ccnn1C ZINC000507421498 1075363113 /nfs/dbraw/zinc/36/31/13/1075363113.db2.gz FFOISLFGDXQPJK-UHFFFAOYSA-N 1 2 410.478 1.877 20 0 HDADLO COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000596033043 1075363379 /nfs/dbraw/zinc/36/33/79/1075363379.db2.gz AUHDDQOGVOMSQM-UHFFFAOYSA-N 1 2 410.478 1.970 20 0 HDADLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000731480598 1075372348 /nfs/dbraw/zinc/37/23/48/1075372348.db2.gz ABDALQJPMVLFHN-JKSUJKDBSA-N 1 2 417.572 1.259 20 0 HDADLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000731480598 1075372351 /nfs/dbraw/zinc/37/23/51/1075372351.db2.gz ABDALQJPMVLFHN-JKSUJKDBSA-N 1 2 417.572 1.259 20 0 HDADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000804087126 1075378760 /nfs/dbraw/zinc/37/87/60/1075378760.db2.gz DANHWKVTLXGDMJ-HZPDHXFCSA-N 1 2 415.494 1.903 20 0 HDADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804092177 1075392124 /nfs/dbraw/zinc/39/21/24/1075392124.db2.gz SLDIKALJJBORIU-BZUAXINKSA-N 1 2 419.526 1.688 20 0 HDADLO CN(CCOC(C)(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000676152172 1075402148 /nfs/dbraw/zinc/40/21/48/1075402148.db2.gz BJHGULZETVFUFA-QGZVFWFLSA-N 1 2 420.558 1.739 20 0 HDADLO CN(CCOC(C)(C)C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000676152172 1075402150 /nfs/dbraw/zinc/40/21/50/1075402150.db2.gz BJHGULZETVFUFA-QGZVFWFLSA-N 1 2 420.558 1.739 20 0 HDADLO Cc1ccc(-c2csc(C[NH2+][C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)n2)cc1 ZINC000509388072 1075417387 /nfs/dbraw/zinc/41/73/87/1075417387.db2.gz OPPZVUCOONQFRF-MSOLQXFVSA-N 1 2 407.561 1.706 20 0 HDADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000543663458 1075420216 /nfs/dbraw/zinc/42/02/16/1075420216.db2.gz ORZVBTDSRCXHDI-GJZGRUSLSA-N 1 2 400.483 1.510 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(OCc3cscn3)c2)CC1 ZINC000731648236 1075427313 /nfs/dbraw/zinc/42/73/13/1075427313.db2.gz ININHVNKSPZEBR-UHFFFAOYSA-N 1 2 423.560 1.961 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000731647933 1075427701 /nfs/dbraw/zinc/42/77/01/1075427701.db2.gz GZXKXLPFFJQMHK-UHFFFAOYSA-N 1 2 409.335 1.997 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000731649390 1075428616 /nfs/dbraw/zinc/42/86/16/1075428616.db2.gz NWCBXYMOOFMLIY-UHFFFAOYSA-N 1 2 410.927 1.765 20 0 HDADLO CCc1ccc(N2C[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2=O)cc1 ZINC000731648858 1075429424 /nfs/dbraw/zinc/42/94/24/1075429424.db2.gz KTTVIEJLVUJSDS-QGZVFWFLSA-N 1 2 421.563 1.227 20 0 HDADLO Cc1nn(C)c2nc(C)c(CC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c(C)c12 ZINC000731648590 1075429937 /nfs/dbraw/zinc/42/99/37/1075429937.db2.gz NSGASSRQZVRCDF-UHFFFAOYSA-N 1 2 421.567 1.061 20 0 HDADLO CCOc1ccc(OC(C)(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731649558 1075430855 /nfs/dbraw/zinc/43/08/55/1075430855.db2.gz UEGLDGIQJHDRAZ-UHFFFAOYSA-N 1 2 412.552 1.868 20 0 HDADLO Cc1nc2c(cnn2C(C)C)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650497 1075430970 /nfs/dbraw/zinc/43/09/70/1075430970.db2.gz PBEIXVUKSWYFHX-UHFFFAOYSA-N 1 2 407.540 1.559 20 0 HDADLO COc1ccc(CCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1Cl ZINC000731649680 1075433108 /nfs/dbraw/zinc/43/31/08/1075433108.db2.gz UYYFCXUQMIEMAA-UHFFFAOYSA-N 1 2 402.944 1.906 20 0 HDADLO CSCc1nc2ccccc2n1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650533 1075435752 /nfs/dbraw/zinc/43/57/52/1075435752.db2.gz RAJLISLFTLTKBK-UHFFFAOYSA-N 1 2 424.592 1.525 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000731686634 1075449437 /nfs/dbraw/zinc/44/94/37/1075449437.db2.gz HNJAYFBVWKINRT-HXUWFJFHSA-N 1 2 419.547 1.681 20 0 HDADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257438 1075453387 /nfs/dbraw/zinc/45/33/87/1075453387.db2.gz VAACVLRDLBNELV-KXBFYZLASA-N 1 2 403.504 1.936 20 0 HDADLO C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257438 1075453388 /nfs/dbraw/zinc/45/33/88/1075453388.db2.gz VAACVLRDLBNELV-KXBFYZLASA-N 1 2 403.504 1.936 20 0 HDADLO C[C@@H](OCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000731680405 1075461864 /nfs/dbraw/zinc/46/18/64/1075461864.db2.gz KCYYIMVYZXKSRQ-QGZVFWFLSA-N 1 2 411.568 1.963 20 0 HDADLO C[C@H](COc1cccc(F)c1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731681472 1075463315 /nfs/dbraw/zinc/46/33/15/1075463315.db2.gz BOXISFKVCDRNLZ-CQSZACIVSA-N 1 2 401.504 1.401 20 0 HDADLO COc1ccccc1OCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683495 1075465557 /nfs/dbraw/zinc/46/55/57/1075465557.db2.gz BLJHAJISMIELOU-UHFFFAOYSA-N 1 2 413.540 1.272 20 0 HDADLO COc1ccc2nc(NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)sc2c1 ZINC000469710253 1075465875 /nfs/dbraw/zinc/46/58/75/1075465875.db2.gz LUGDPYVEKIGXPP-UHFFFAOYSA-N 1 2 402.480 2.478 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ncc(-c3ccccc3)o2)CC1 ZINC000731683014 1075466083 /nfs/dbraw/zinc/46/60/83/1075466083.db2.gz XYQWGKSZPQWDNO-UHFFFAOYSA-N 1 2 406.508 1.650 20 0 HDADLO CCOc1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1OC ZINC000731682953 1075466393 /nfs/dbraw/zinc/46/63/93/1075466393.db2.gz TVZXNNOISKATEP-UHFFFAOYSA-N 1 2 413.540 1.402 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCc2ccn(-c3ccccc3)n2)CC1 ZINC000731682888 1075466422 /nfs/dbraw/zinc/46/64/22/1075466422.db2.gz HLLBUXFIKCDJQY-UHFFFAOYSA-N 1 2 419.551 1.223 20 0 HDADLO COCCOc1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731683133 1075466450 /nfs/dbraw/zinc/46/64/50/1075466450.db2.gz YGNCWWLRVYFYDQ-UHFFFAOYSA-N 1 2 413.540 1.020 20 0 HDADLO COc1ccc(CC[C@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731684055 1075467428 /nfs/dbraw/zinc/46/74/28/1075467428.db2.gz OPIIULQTDBNGOZ-INIZCTEOSA-N 1 2 411.568 1.825 20 0 HDADLO C[C@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676251936 1075468426 /nfs/dbraw/zinc/46/84/26/1075468426.db2.gz SKBBKKJQLYTVCJ-QFBILLFUSA-N 1 2 410.946 1.765 20 0 HDADLO C[C@H](NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676251936 1075468429 /nfs/dbraw/zinc/46/84/29/1075468429.db2.gz SKBBKKJQLYTVCJ-QFBILLFUSA-N 1 2 410.946 1.765 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000676273083 1075474175 /nfs/dbraw/zinc/47/41/75/1075474175.db2.gz WASWMIYOQYGUAD-FZMZJTMJSA-N 1 2 416.400 1.343 20 0 HDADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000676271443 1075474187 /nfs/dbraw/zinc/47/41/87/1075474187.db2.gz HZZXTNGACXATFA-XOBRGWDASA-N 1 2 416.482 1.069 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000731764711 1075500045 /nfs/dbraw/zinc/50/00/45/1075500045.db2.gz DKFCFRRFLVIUIG-UHFFFAOYSA-N 1 2 403.451 1.188 20 0 HDADLO COc1ccc(NC(C)=O)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731751180 1075507847 /nfs/dbraw/zinc/50/78/47/1075507847.db2.gz APFZBZORAGKPCK-UHFFFAOYSA-N 1 2 412.512 1.284 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000731752327 1075508780 /nfs/dbraw/zinc/50/87/80/1075508780.db2.gz XZPQFGFFYBSKJO-UHFFFAOYSA-N 1 2 408.524 1.209 20 0 HDADLO O=C(N[C@@H](Cc1cccnc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000676340030 1075513060 /nfs/dbraw/zinc/51/30/60/1075513060.db2.gz OVERZAQFDZXRRB-RTWAWAEBSA-N 1 2 408.502 1.356 20 0 HDADLO O=C(N[C@@H](Cc1cccnc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000676340031 1075513274 /nfs/dbraw/zinc/51/32/74/1075513274.db2.gz OVERZAQFDZXRRB-SFTDATJTSA-N 1 2 408.502 1.356 20 0 HDADLO O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676341115 1075513569 /nfs/dbraw/zinc/51/35/69/1075513569.db2.gz OBGPAWPYTVEBJC-MJGOQNOKSA-N 1 2 411.506 1.348 20 0 HDADLO COc1ccc(-n2ccnc2SCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000676339703 1075513686 /nfs/dbraw/zinc/51/36/86/1075513686.db2.gz BRVKAQPSYZROGR-QGZVFWFLSA-N 1 2 402.520 1.906 20 0 HDADLO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676341289 1075514418 /nfs/dbraw/zinc/51/44/18/1075514418.db2.gz KYOFTQQCTGMXPA-PXNSSMCTSA-N 1 2 402.470 1.287 20 0 HDADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCN2CCCc3ccccc32)CC1 ZINC000731759898 1075514517 /nfs/dbraw/zinc/51/45/17/1075514517.db2.gz SGPAOAXXIKQYPB-UHFFFAOYSA-N 1 2 408.568 1.247 20 0 HDADLO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000676341922 1075514777 /nfs/dbraw/zinc/51/47/77/1075514777.db2.gz WTODXQCCQGTZEN-OALUTQOASA-N 1 2 421.563 1.329 20 0 HDADLO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676342293 1075516410 /nfs/dbraw/zinc/51/64/10/1075516410.db2.gz ZSTHBZXCXQWTGZ-CABCVRRESA-N 1 2 422.323 1.735 20 0 HDADLO CC(C)CCc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731765500 1075518422 /nfs/dbraw/zinc/51/84/22/1075518422.db2.gz UOUMYHGYZPIDHR-UHFFFAOYSA-N 1 2 423.579 1.839 20 0 HDADLO Cc1nc(N2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)sc1C ZINC000533595934 1075519555 /nfs/dbraw/zinc/51/95/55/1075519555.db2.gz BNWGHJGATVJYSE-UHFFFAOYSA-N 1 2 419.555 1.643 20 0 HDADLO CC(C)CCc1ccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731765053 1075519521 /nfs/dbraw/zinc/51/95/21/1075519521.db2.gz LXONGFKMRYLZHJ-UHFFFAOYSA-N 1 2 423.579 1.839 20 0 HDADLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)s1 ZINC000606567902 1075521912 /nfs/dbraw/zinc/52/19/12/1075521912.db2.gz KTCULQKNKOZBMV-UHFFFAOYSA-N 1 2 404.540 1.945 20 0 HDADLO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000559722783 1075522657 /nfs/dbraw/zinc/52/26/57/1075522657.db2.gz YEUDIFXZUKOJQM-HOTGVXAUSA-N 1 2 422.892 2.195 20 0 HDADLO Cc1nc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)nn1C ZINC000559722783 1075522661 /nfs/dbraw/zinc/52/26/61/1075522661.db2.gz YEUDIFXZUKOJQM-HOTGVXAUSA-N 1 2 422.892 2.195 20 0 HDADLO C[C@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CCN1c1nccn2cnnc12 ZINC000676357396 1075531892 /nfs/dbraw/zinc/53/18/92/1075531892.db2.gz YMHWJKBXDWUPHV-INIZCTEOSA-N 1 2 406.494 1.360 20 0 HDADLO Cc1cccn2cc(CCNC(=O)N3CCN(c4nccn5cnnc45)[C@H](C)C3)[nH+]c12 ZINC000676359105 1075532573 /nfs/dbraw/zinc/53/25/73/1075532573.db2.gz YRXHHKNZZOEIHP-MRXNPFEDSA-N 1 2 419.493 1.543 20 0 HDADLO C[C@@H](Sc1ncccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCC1 ZINC000676389882 1075535170 /nfs/dbraw/zinc/53/51/70/1075535170.db2.gz RQBOHWVXYMJBRO-IAGOWNOFSA-N 1 2 418.563 1.731 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)c2)cc[nH+]1 ZINC000543586888 1075535861 /nfs/dbraw/zinc/53/58/61/1075535861.db2.gz CHPCLJOOAJDODQ-JOCHJYFZSA-N 1 2 422.489 1.847 20 0 HDADLO CSCCc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000439544090 1075552098 /nfs/dbraw/zinc/55/20/98/1075552098.db2.gz FXTZAVMMUSMMBD-UHFFFAOYSA-N 1 2 417.535 1.698 20 0 HDADLO CC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)CC1 ZINC000731882657 1075552704 /nfs/dbraw/zinc/55/27/04/1075552704.db2.gz QVQMDWWMFRPIGY-UHFFFAOYSA-N 1 2 404.536 1.890 20 0 HDADLO CC[N@H+]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)CC1 ZINC000731882657 1075552708 /nfs/dbraw/zinc/55/27/08/1075552708.db2.gz QVQMDWWMFRPIGY-UHFFFAOYSA-N 1 2 404.536 1.890 20 0 HDADLO Cc1nnc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000495283305 1075558189 /nfs/dbraw/zinc/55/81/89/1075558189.db2.gz JTGALBAKELGUMS-CYBMUJFWSA-N 1 2 404.500 1.264 20 0 HDADLO Cc1nnc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000495283305 1075558194 /nfs/dbraw/zinc/55/81/94/1075558194.db2.gz JTGALBAKELGUMS-CYBMUJFWSA-N 1 2 404.500 1.264 20 0 HDADLO CNC(=O)c1cncc(/C=C\C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)c1 ZINC000731970029 1075579658 /nfs/dbraw/zinc/57/96/58/1075579658.db2.gz AVVZGENFHANDNK-NGXITPROSA-N 1 2 408.502 1.953 20 0 HDADLO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000676529008 1075582096 /nfs/dbraw/zinc/58/20/96/1075582096.db2.gz CCWCJGHZLMEARY-SFHVURJKSA-N 1 2 410.474 1.769 20 0 HDADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1COc2c1cccc2Cl ZINC000676555478 1075587391 /nfs/dbraw/zinc/58/73/91/1075587391.db2.gz XCEVDMNDJPKGRJ-MRXNPFEDSA-N 1 2 419.869 1.057 20 0 HDADLO CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000676547861 1075594753 /nfs/dbraw/zinc/59/47/53/1075594753.db2.gz NOPZPWGFVMWGSA-UHFFFAOYSA-N 1 2 417.485 1.732 20 0 HDADLO COC1(CNC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCOCC1 ZINC000676622769 1075622438 /nfs/dbraw/zinc/62/24/38/1075622438.db2.gz HSANXLWLVXDDAA-INIZCTEOSA-N 1 2 405.495 1.330 20 0 HDADLO COc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1S(=O)(=O)N1CCCC1 ZINC000569330699 1075623619 /nfs/dbraw/zinc/62/36/19/1075623619.db2.gz XPMMWXBEUQNQPM-UHFFFAOYSA-N 1 2 405.480 1.779 20 0 HDADLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000582322818 1075627175 /nfs/dbraw/zinc/62/71/75/1075627175.db2.gz ACJSHSATRWPSNW-AWEZNQCLSA-N 1 2 401.540 1.405 20 0 HDADLO CCOCC[NH+]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000732121909 1075629334 /nfs/dbraw/zinc/62/93/34/1075629334.db2.gz QRVNOPAXCRFXOL-UHFFFAOYSA-N 1 2 401.504 1.307 20 0 HDADLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1)Nc1ccccc1 ZINC000071832207 1075629952 /nfs/dbraw/zinc/62/99/52/1075629952.db2.gz UBDVPBXXXUJJQH-QGZVFWFLSA-N 1 2 424.501 1.847 20 0 HDADLO CON(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000732128220 1075631490 /nfs/dbraw/zinc/63/14/90/1075631490.db2.gz UYOUVWJYVHQBKY-KRWDZBQOSA-N 1 2 411.524 1.195 20 0 HDADLO CC(=O)N1C[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)Oc2ccccc21 ZINC000732164775 1075642862 /nfs/dbraw/zinc/64/28/62/1075642862.db2.gz CHLIYOGICJKORJ-NFBKMPQASA-N 1 2 423.513 1.860 20 0 HDADLO Cn1nc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c2ccccc2c1=O ZINC000732165513 1075643783 /nfs/dbraw/zinc/64/37/83/1075643783.db2.gz GTQVPZHGDYLEGO-GOSISDBHSA-N 1 2 406.486 1.607 20 0 HDADLO CC(=O)N[C@H]1Cc2ccccc2N(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000676719235 1075655075 /nfs/dbraw/zinc/65/50/75/1075655075.db2.gz YUZGNZSQLAWOEG-FQEVSTJZSA-N 1 2 412.559 1.960 20 0 HDADLO Cc1ccc(N2C(=O)C(=O)N(C[N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)c(C)c1 ZINC000732192480 1075656216 /nfs/dbraw/zinc/65/62/16/1075656216.db2.gz ZZCPRVWHEPCOGE-QGZVFWFLSA-N 1 2 412.490 1.891 20 0 HDADLO Cc1ccc(N2C(=O)C(=O)N(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)c(C)c1 ZINC000732192480 1075656219 /nfs/dbraw/zinc/65/62/19/1075656219.db2.gz ZZCPRVWHEPCOGE-QGZVFWFLSA-N 1 2 412.490 1.891 20 0 HDADLO CCn1c(C[N@@H+]2CCCOC[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000676710438 1075656960 /nfs/dbraw/zinc/65/69/60/1075656960.db2.gz DOSYHMSERPJSEF-MRXNPFEDSA-N 1 2 422.551 1.688 20 0 HDADLO CCn1c(C[N@H+]2CCCOC[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000676710438 1075656965 /nfs/dbraw/zinc/65/69/65/1075656965.db2.gz DOSYHMSERPJSEF-MRXNPFEDSA-N 1 2 422.551 1.688 20 0 HDADLO C[C@@H](NC(=O)CNC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1 ZINC000676717463 1075658646 /nfs/dbraw/zinc/65/86/46/1075658646.db2.gz KVBLPPNASQWGNX-RDTXWAMCSA-N 1 2 401.486 1.862 20 0 HDADLO C[C@@H](NC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C)c1ccc(F)cc1 ZINC000676717463 1075658649 /nfs/dbraw/zinc/65/86/49/1075658649.db2.gz KVBLPPNASQWGNX-RDTXWAMCSA-N 1 2 401.486 1.862 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000732210493 1075667707 /nfs/dbraw/zinc/66/77/07/1075667707.db2.gz KUPCGJPUBJOXEU-SFHVURJKSA-N 1 2 400.523 1.781 20 0 HDADLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000732210493 1075667713 /nfs/dbraw/zinc/66/77/13/1075667713.db2.gz KUPCGJPUBJOXEU-SFHVURJKSA-N 1 2 400.523 1.781 20 0 HDADLO Cc1c([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)nnn1-c1ccc(Cl)cc1 ZINC000429460361 1075668996 /nfs/dbraw/zinc/66/89/96/1075668996.db2.gz YEHKVNLHJNSNLH-LBPRGKRZSA-N 1 2 400.936 1.712 20 0 HDADLO C[C@@H](NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1)c1ccc(F)cc1 ZINC000554849294 1075675285 /nfs/dbraw/zinc/67/52/85/1075675285.db2.gz XNJLOYZRTKEWIU-ZBFHGGJFSA-N 1 2 414.485 1.371 20 0 HDADLO C[C@@H](NC(=O)CNC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1)c1ccc(F)cc1 ZINC000554849294 1075675293 /nfs/dbraw/zinc/67/52/93/1075675293.db2.gz XNJLOYZRTKEWIU-ZBFHGGJFSA-N 1 2 414.485 1.371 20 0 HDADLO COc1ccc(C(=O)NCC[NH+]2CCN(CC(=O)OCc3ccccc3)CC2)cc1 ZINC000732203675 1075675319 /nfs/dbraw/zinc/67/53/19/1075675319.db2.gz DVYDWLNJMSBEIB-UHFFFAOYSA-N 1 2 411.502 1.786 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CC[C@H](c4ccco4)C3)C2=O)c1 ZINC000732206004 1075676521 /nfs/dbraw/zinc/67/65/21/1075676521.db2.gz PUJQGSRHAIRSQK-QKKBWIMNSA-N 1 2 412.446 1.576 20 0 HDADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CC[C@H](c4ccco4)C3)C2=O)c1 ZINC000732206004 1075676525 /nfs/dbraw/zinc/67/65/25/1075676525.db2.gz PUJQGSRHAIRSQK-QKKBWIMNSA-N 1 2 412.446 1.576 20 0 HDADLO CC(C)(C)OC(=O)NCCOc1cccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000804205538 1075681218 /nfs/dbraw/zinc/68/12/18/1075681218.db2.gz IXGROZGPFFOSCI-INIZCTEOSA-N 1 2 415.450 1.981 20 0 HDADLO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000732225767 1075682446 /nfs/dbraw/zinc/68/24/46/1075682446.db2.gz RWYYGZNRDSUDJB-NSHDSACASA-N 1 2 410.309 1.121 20 0 HDADLO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000732225767 1075682450 /nfs/dbraw/zinc/68/24/50/1075682450.db2.gz RWYYGZNRDSUDJB-NSHDSACASA-N 1 2 410.309 1.121 20 0 HDADLO CCc1ccccc1Nc1nc(N)nc(CN2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000436104969 1075684672 /nfs/dbraw/zinc/68/46/72/1075684672.db2.gz DHYCUWCXIBTBTB-UHFFFAOYSA-N 1 2 407.526 1.233 20 0 HDADLO CCCCNc1cc(NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)nc(N)[nH+]1 ZINC000553001855 1075691535 /nfs/dbraw/zinc/69/15/35/1075691535.db2.gz VYHUYFGIEWIUJO-AWEZNQCLSA-N 1 2 400.483 1.429 20 0 HDADLO CCCCNc1cc(NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)[nH+]c(N)n1 ZINC000553001855 1075691537 /nfs/dbraw/zinc/69/15/37/1075691537.db2.gz VYHUYFGIEWIUJO-AWEZNQCLSA-N 1 2 400.483 1.429 20 0 HDADLO CCCCNc1cc(NCc2ccccc2CS(=O)(=O)NC(C)C)nc(N)[nH+]1 ZINC000570171255 1075691901 /nfs/dbraw/zinc/69/19/01/1075691901.db2.gz SWXOARNLICKXDO-UHFFFAOYSA-N 1 2 406.556 2.133 20 0 HDADLO CCCCNc1cc(NCc2ccccc2CS(=O)(=O)NC(C)C)[nH+]c(N)n1 ZINC000570171255 1075691905 /nfs/dbraw/zinc/69/19/05/1075691905.db2.gz SWXOARNLICKXDO-UHFFFAOYSA-N 1 2 406.556 2.133 20 0 HDADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446770645 1075704202 /nfs/dbraw/zinc/70/42/02/1075704202.db2.gz VXFAFZWXWVONGF-CQSZACIVSA-N 1 2 409.412 2.117 20 0 HDADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446770645 1075704210 /nfs/dbraw/zinc/70/42/10/1075704210.db2.gz VXFAFZWXWVONGF-CQSZACIVSA-N 1 2 409.412 2.117 20 0 HDADLO Cc1nc(NCc2cccc(C(=O)N3CCN(c4nc(N)ns4)CC3)c2)cc[nH+]1 ZINC000544557433 1075706936 /nfs/dbraw/zinc/70/69/36/1075706936.db2.gz FILXGUIFXOFXBL-UHFFFAOYSA-N 1 2 410.507 1.215 20 0 HDADLO Nc1nc(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)[nH+]c2ccccc12 ZINC000551893035 1075721437 /nfs/dbraw/zinc/72/14/37/1075721437.db2.gz UGDMLVKXGPVGAS-UHFFFAOYSA-N 1 2 405.505 1.328 20 0 HDADLO Nc1nc(CN2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)nc2ccccc12 ZINC000537836292 1075728962 /nfs/dbraw/zinc/72/89/62/1075728962.db2.gz JWLBJHSOQIDGQI-UHFFFAOYSA-N 1 2 414.473 1.751 20 0 HDADLO C[C@H](C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732397218 1075732447 /nfs/dbraw/zinc/73/24/47/1075732447.db2.gz MVWWHJCHYVDPHM-DLBZAZTESA-N 1 2 403.523 1.466 20 0 HDADLO COc1cccc([C@@H](O)CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000732476351 1075757090 /nfs/dbraw/zinc/75/70/90/1075757090.db2.gz GEROVBHYBLIZEX-UNMCSNQZSA-N 1 2 413.518 1.971 20 0 HDADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](C)C1CCCCC1 ZINC000532605563 1075764785 /nfs/dbraw/zinc/76/47/85/1075764785.db2.gz NDLGWXHFKFENIV-SJORKVTESA-N 1 2 405.543 1.875 20 0 HDADLO COc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1S(N)(=O)=O ZINC000461662447 1075781123 /nfs/dbraw/zinc/78/11/23/1075781123.db2.gz JTGDLNXQFZAWJN-CQSZACIVSA-N 1 2 407.496 1.165 20 0 HDADLO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1nc2cc(Cl)ccc2[nH]1 ZINC000732559246 1075785274 /nfs/dbraw/zinc/78/52/74/1075785274.db2.gz JLTHIAQWEZHELR-UONOGXRCSA-N 1 2 419.913 1.574 20 0 HDADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000732592427 1075790891 /nfs/dbraw/zinc/79/08/91/1075790891.db2.gz KBAHKVQGWXLWOA-QGZVFWFLSA-N 1 2 423.970 1.917 20 0 HDADLO COc1cccc(-c2nc(C[N@H+](CCO)CCN3CCOCC3)cs2)c1OC ZINC000487504775 1075797234 /nfs/dbraw/zinc/79/72/34/1075797234.db2.gz SQPGJRDNPQETMO-UHFFFAOYSA-N 1 2 407.536 1.954 20 0 HDADLO COc1cccc(-c2nc(C[N@@H+](CCO)CCN3CCOCC3)cs2)c1OC ZINC000487504775 1075797238 /nfs/dbraw/zinc/79/72/38/1075797238.db2.gz SQPGJRDNPQETMO-UHFFFAOYSA-N 1 2 407.536 1.954 20 0 HDADLO CC(C)CCC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446811572 1075804744 /nfs/dbraw/zinc/80/47/44/1075804744.db2.gz ZVSXAIQLPONKCG-UHFFFAOYSA-N 1 2 405.543 1.829 20 0 HDADLO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000611033525 1075816433 /nfs/dbraw/zinc/81/64/33/1075816433.db2.gz ZHJCRWKWQQPVMG-MAUKXSAKSA-N 1 2 405.476 1.776 20 0 HDADLO CC(C)COc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000446745486 1075826613 /nfs/dbraw/zinc/82/66/13/1075826613.db2.gz RZJVXSOHIXUMHR-UHFFFAOYSA-N 1 2 415.494 1.827 20 0 HDADLO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000732703003 1075837005 /nfs/dbraw/zinc/83/70/05/1075837005.db2.gz IYAPYXZNSGFRBY-ZDUSSCGKSA-N 1 2 423.461 1.860 20 0 HDADLO O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732798238 1075860990 /nfs/dbraw/zinc/86/09/90/1075860990.db2.gz LKHRMMPNAHODHH-XXBNENTESA-N 1 2 410.518 1.900 20 0 HDADLO O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732798238 1075860995 /nfs/dbraw/zinc/86/09/95/1075860995.db2.gz LKHRMMPNAHODHH-XXBNENTESA-N 1 2 410.518 1.900 20 0 HDADLO O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596036637 1075865723 /nfs/dbraw/zinc/86/57/23/1075865723.db2.gz KVLKCGPVEZCARW-UHFFFAOYSA-N 1 2 421.501 2.127 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000732813211 1075874323 /nfs/dbraw/zinc/87/43/23/1075874323.db2.gz IXRFJUARDJUXDD-MCIONIFRSA-N 1 2 407.433 1.272 20 0 HDADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000732813211 1075874324 /nfs/dbraw/zinc/87/43/24/1075874324.db2.gz IXRFJUARDJUXDD-MCIONIFRSA-N 1 2 407.433 1.272 20 0 HDADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732808219 1075883127 /nfs/dbraw/zinc/88/31/27/1075883127.db2.gz CYBRUHIABUMURE-QGZVFWFLSA-N 1 2 416.522 1.535 20 0 HDADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732808219 1075883132 /nfs/dbraw/zinc/88/31/32/1075883132.db2.gz CYBRUHIABUMURE-QGZVFWFLSA-N 1 2 416.522 1.535 20 0 HDADLO Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000732895968 1075898914 /nfs/dbraw/zinc/89/89/14/1075898914.db2.gz BPYVFICENFZWTI-FQEVSTJZSA-N 1 2 424.501 1.171 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000611323255 1075900879 /nfs/dbraw/zinc/90/08/79/1075900879.db2.gz LJAIGIADFRQJAK-ZDUSSCGKSA-N 1 2 404.446 1.651 20 0 HDADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000611323255 1075900880 /nfs/dbraw/zinc/90/08/80/1075900880.db2.gz LJAIGIADFRQJAK-ZDUSSCGKSA-N 1 2 404.446 1.651 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H]1CC1(Cl)Cl ZINC000732915533 1075911943 /nfs/dbraw/zinc/91/19/43/1075911943.db2.gz LHBJEBKJPMTAGO-CHWSQXEVSA-N 1 2 400.310 1.592 20 0 HDADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1CC1(Cl)Cl ZINC000732915533 1075911946 /nfs/dbraw/zinc/91/19/46/1075911946.db2.gz LHBJEBKJPMTAGO-CHWSQXEVSA-N 1 2 400.310 1.592 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccc2c(c1)CCO2 ZINC000732916018 1075913290 /nfs/dbraw/zinc/91/32/90/1075913290.db2.gz OKEBCEVAGXAWLH-SFHVURJKSA-N 1 2 409.490 1.647 20 0 HDADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc2c(c1)CCO2 ZINC000732916018 1075913293 /nfs/dbraw/zinc/91/32/93/1075913293.db2.gz OKEBCEVAGXAWLH-SFHVURJKSA-N 1 2 409.490 1.647 20 0 HDADLO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000611384454 1075922681 /nfs/dbraw/zinc/92/26/81/1075922681.db2.gz QKZHUROPLXDFKZ-INIZCTEOSA-N 1 2 418.490 1.907 20 0 HDADLO COC(=O)CC[N@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000611384454 1075922682 /nfs/dbraw/zinc/92/26/82/1075922682.db2.gz QKZHUROPLXDFKZ-INIZCTEOSA-N 1 2 418.490 1.907 20 0 HDADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000732955138 1075931196 /nfs/dbraw/zinc/93/11/96/1075931196.db2.gz PBPMZAFKCNOICI-UHFFFAOYSA-N 1 2 415.929 1.677 20 0 HDADLO COC(=O)C1(c2ccc(S(=O)(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000611540810 1075955544 /nfs/dbraw/zinc/95/55/44/1075955544.db2.gz ZKIQEHIHYMPVRD-ZWKOTPCHSA-N 1 2 408.520 1.111 20 0 HDADLO COC(=O)c1nccc2c1cccc2S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611540714 1075956930 /nfs/dbraw/zinc/95/69/30/1075956930.db2.gz PDBWJSHMDIZKQJ-IRXDYDNUSA-N 1 2 419.503 1.241 20 0 HDADLO CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000018045027 1075966895 /nfs/dbraw/zinc/96/68/95/1075966895.db2.gz OBCUWLVZRMQSSF-IBGZPJMESA-N 1 2 417.531 1.616 20 0 HDADLO CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000018045027 1075966898 /nfs/dbraw/zinc/96/68/98/1075966898.db2.gz OBCUWLVZRMQSSF-IBGZPJMESA-N 1 2 417.531 1.616 20 0 HDADLO Cc1nc(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cs1 ZINC000733107388 1075970240 /nfs/dbraw/zinc/97/02/40/1075970240.db2.gz OIEUBXJGHZBZFB-MRXNPFEDSA-N 1 2 416.551 1.796 20 0 HDADLO Cc1nc(CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cs1 ZINC000733107388 1075970243 /nfs/dbraw/zinc/97/02/43/1075970243.db2.gz OIEUBXJGHZBZFB-MRXNPFEDSA-N 1 2 416.551 1.796 20 0 HDADLO COC[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC001671063740 1075982832 /nfs/dbraw/zinc/98/28/32/1075982832.db2.gz QYQHTDAEKIWJKI-MRXNPFEDSA-N 1 2 421.357 1.778 20 0 HDADLO Cc1cc(Cn2nnc(C(=O)N[C@@H](C)C[NH+]3CCN(c4ccccn4)CC3)c2C)no1 ZINC000512705948 1076003707 /nfs/dbraw/zinc/00/37/07/1076003707.db2.gz SGRZLYKRFRLPRK-HNNXBMFYSA-N 1 2 424.509 1.267 20 0 HDADLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C3CCC3)CC2)sc1Br ZINC000733275551 1076027695 /nfs/dbraw/zinc/02/76/95/1076027695.db2.gz LXIHYXAUSYPAAK-UHFFFAOYSA-N 1 2 408.343 1.468 20 0 HDADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 ZINC000727034476 1076029770 /nfs/dbraw/zinc/02/97/70/1076029770.db2.gz NJAJIYHKUGTGKH-LPHOPBHVSA-N 1 2 410.946 1.733 20 0 HDADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 ZINC000727034476 1076029773 /nfs/dbraw/zinc/02/97/73/1076029773.db2.gz NJAJIYHKUGTGKH-LPHOPBHVSA-N 1 2 410.946 1.733 20 0 HDADLO C[C@H]([NH2+]C1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCOCC1)c1ccccc1 ZINC000733290240 1076039770 /nfs/dbraw/zinc/03/97/70/1076039770.db2.gz VKMGPNZJBJEURW-HNNXBMFYSA-N 1 2 410.478 1.087 20 0 HDADLO C[C@@H]([NH2+]C1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCOCC1)c1ccccc1 ZINC000733290241 1076039814 /nfs/dbraw/zinc/03/98/14/1076039814.db2.gz VKMGPNZJBJEURW-OAHLLOKOSA-N 1 2 410.478 1.087 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000733293623 1076040565 /nfs/dbraw/zinc/04/05/65/1076040565.db2.gz QOLUHCKPAKRHIQ-SGTLLEGYSA-N 1 2 409.874 1.300 20 0 HDADLO COC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000733293623 1076040567 /nfs/dbraw/zinc/04/05/67/1076040567.db2.gz QOLUHCKPAKRHIQ-SGTLLEGYSA-N 1 2 409.874 1.300 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000733293619 1076040705 /nfs/dbraw/zinc/04/07/05/1076040705.db2.gz QOLUHCKPAKRHIQ-KZULUSFZSA-N 1 2 409.874 1.300 20 0 HDADLO COC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)C1=O ZINC000733293619 1076040713 /nfs/dbraw/zinc/04/07/13/1076040713.db2.gz QOLUHCKPAKRHIQ-KZULUSFZSA-N 1 2 409.874 1.300 20 0 HDADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000727132177 1076050661 /nfs/dbraw/zinc/05/06/61/1076050661.db2.gz UCGCPVUXHTZGNA-IBGZPJMESA-N 1 2 418.538 1.923 20 0 HDADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000727132177 1076050664 /nfs/dbraw/zinc/05/06/64/1076050664.db2.gz UCGCPVUXHTZGNA-IBGZPJMESA-N 1 2 418.538 1.923 20 0 HDADLO CC(C)(C)OC(=O)NC1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000727136697 1076051266 /nfs/dbraw/zinc/05/12/66/1076051266.db2.gz FCKCYSNALSEPMJ-UHFFFAOYSA-N 1 2 418.542 1.552 20 0 HDADLO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001082651376 1076061225 /nfs/dbraw/zinc/06/12/25/1076061225.db2.gz ZWTUZOSVYIMZIX-WUGLTUCPSA-N 1 2 402.417 1.926 20 0 HDADLO CCOC(=O)c1ccc2c(c1)n(C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c(=O)n2CC ZINC000727167642 1076067720 /nfs/dbraw/zinc/06/77/20/1076067720.db2.gz XBLBKSIHUFTVOR-OAHLLOKOSA-N 1 2 402.495 1.935 20 0 HDADLO CCOC(=O)c1ccc2c(c1)n(C[N@H+]1CCC[C@H](CCC(N)=O)C1)c(=O)n2CC ZINC000727167642 1076067728 /nfs/dbraw/zinc/06/77/28/1076067728.db2.gz XBLBKSIHUFTVOR-OAHLLOKOSA-N 1 2 402.495 1.935 20 0 HDADLO COc1cc(Br)c(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1OC ZINC000727226631 1076084722 /nfs/dbraw/zinc/08/47/22/1076084722.db2.gz DYGBMFGETQMQDI-LBPRGKRZSA-N 1 2 416.316 1.986 20 0 HDADLO COc1cc(Br)c(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1OC ZINC000727226631 1076084727 /nfs/dbraw/zinc/08/47/27/1076084727.db2.gz DYGBMFGETQMQDI-LBPRGKRZSA-N 1 2 416.316 1.986 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)CCO1 ZINC000727227826 1076084977 /nfs/dbraw/zinc/08/49/77/1076084977.db2.gz PXEYVGKHKHCLFM-CQSZACIVSA-N 1 2 412.893 1.667 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)CCO1 ZINC000727227826 1076084978 /nfs/dbraw/zinc/08/49/78/1076084978.db2.gz PXEYVGKHKHCLFM-CQSZACIVSA-N 1 2 412.893 1.667 20 0 HDADLO C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)CC[NH+]4CCOCC4)CC3)cc2NC1=O ZINC000727390396 1076110729 /nfs/dbraw/zinc/11/07/29/1076110729.db2.gz VFKKVRHGCUYNKZ-OAHLLOKOSA-N 1 2 415.490 1.550 20 0 HDADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000727496643 1076138038 /nfs/dbraw/zinc/13/80/38/1076138038.db2.gz OVGYXQIMPOZUKL-SFHVURJKSA-N 1 2 420.535 1.749 20 0 HDADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000727496641 1076138101 /nfs/dbraw/zinc/13/81/01/1076138101.db2.gz OVGYXQIMPOZUKL-GOSISDBHSA-N 1 2 420.535 1.749 20 0 HDADLO O=C(COC(=O)c1ccc(-n2cnnc2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000727517481 1076144398 /nfs/dbraw/zinc/14/43/98/1076144398.db2.gz MGLTZKRZPIBPOI-UHFFFAOYSA-N 1 2 411.487 1.830 20 0 HDADLO COCCN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2S1(=O)=O ZINC000727738100 1076214640 /nfs/dbraw/zinc/21/46/40/1076214640.db2.gz FZUQWLNVUSWCNO-AWEZNQCLSA-N 1 2 418.475 1.220 20 0 HDADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000727739556 1076215047 /nfs/dbraw/zinc/21/50/47/1076215047.db2.gz YKIVCDCWYUWJFE-SPLOXXLWSA-N 1 2 411.462 1.592 20 0 HDADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000733848129 1076218267 /nfs/dbraw/zinc/21/82/67/1076218267.db2.gz UEMCJTSYRJSGJM-CZUORRHYSA-N 1 2 414.428 1.831 20 0 HDADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 ZINC000733848129 1076218273 /nfs/dbraw/zinc/21/82/73/1076218273.db2.gz UEMCJTSYRJSGJM-CZUORRHYSA-N 1 2 414.428 1.831 20 0 HDADLO O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000727751854 1076225685 /nfs/dbraw/zinc/22/56/85/1076225685.db2.gz YEEDHENNJNYJKK-UHFFFAOYSA-N 1 2 405.451 1.909 20 0 HDADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533829942 1076245192 /nfs/dbraw/zinc/24/51/92/1076245192.db2.gz MHXVYKSSXKUHDG-SFHVURJKSA-N 1 2 401.488 1.722 20 0 HDADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533829942 1076245195 /nfs/dbraw/zinc/24/51/95/1076245195.db2.gz MHXVYKSSXKUHDG-SFHVURJKSA-N 1 2 401.488 1.722 20 0 HDADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC001299319352 1076248587 /nfs/dbraw/zinc/24/85/87/1076248587.db2.gz RRGKZOGSGIQBCH-OAHLLOKOSA-N 1 2 403.545 1.102 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC(N)=O)C1 ZINC000535278492 1076251745 /nfs/dbraw/zinc/25/17/45/1076251745.db2.gz ZAFDJUUIRLWVLW-KRWDZBQOSA-N 1 2 412.515 1.896 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC(N)=O)C1 ZINC000535278492 1076251748 /nfs/dbraw/zinc/25/17/48/1076251748.db2.gz ZAFDJUUIRLWVLW-KRWDZBQOSA-N 1 2 412.515 1.896 20 0 HDADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000535312390 1076252663 /nfs/dbraw/zinc/25/26/63/1076252663.db2.gz CVRWYBZCEARBAY-SFHVURJKSA-N 1 2 419.478 1.612 20 0 HDADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000535312390 1076252664 /nfs/dbraw/zinc/25/26/64/1076252664.db2.gz CVRWYBZCEARBAY-SFHVURJKSA-N 1 2 419.478 1.612 20 0 HDADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000536071637 1076255593 /nfs/dbraw/zinc/25/55/93/1076255593.db2.gz XVAKVBVIMJZIGN-GOSISDBHSA-N 1 2 416.503 1.145 20 0 HDADLO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000536071637 1076255595 /nfs/dbraw/zinc/25/55/95/1076255595.db2.gz XVAKVBVIMJZIGN-GOSISDBHSA-N 1 2 416.503 1.145 20 0 HDADLO O=C(NCc1ccc(F)cc1)C1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000727818495 1076266851 /nfs/dbraw/zinc/26/68/51/1076266851.db2.gz CQRZDHYPJQAADU-UHFFFAOYSA-N 1 2 418.469 1.212 20 0 HDADLO O=C(NC1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1)Oc1ccccc1 ZINC000727822862 1076267946 /nfs/dbraw/zinc/26/79/46/1076267946.db2.gz OXYFUVVBPTYJPI-UHFFFAOYSA-N 1 2 402.451 1.298 20 0 HDADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(-n2cnnn2)ccc1F ZINC000728118958 1076337669 /nfs/dbraw/zinc/33/76/69/1076337669.db2.gz VJRRSMTXBAXKNR-KRWDZBQOSA-N 1 2 411.441 1.824 20 0 HDADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(-n2cnnn2)ccc1F ZINC000728118958 1076337675 /nfs/dbraw/zinc/33/76/75/1076337675.db2.gz VJRRSMTXBAXKNR-KRWDZBQOSA-N 1 2 411.441 1.824 20 0 HDADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000024631783 1076345704 /nfs/dbraw/zinc/34/57/04/1076345704.db2.gz LIUJLMMYHAWLHS-GOSISDBHSA-N 1 2 422.485 1.097 20 0 HDADLO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000024631783 1076345711 /nfs/dbraw/zinc/34/57/11/1076345711.db2.gz LIUJLMMYHAWLHS-GOSISDBHSA-N 1 2 422.485 1.097 20 0 HDADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000027354750 1076359277 /nfs/dbraw/zinc/35/92/77/1076359277.db2.gz MIOUQWVKCUEMMX-UHFFFAOYSA-N 1 2 413.474 1.807 20 0 HDADLO COc1ccccc1N(CCC(N)=O)C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000027354750 1076359282 /nfs/dbraw/zinc/35/92/82/1076359282.db2.gz MIOUQWVKCUEMMX-UHFFFAOYSA-N 1 2 413.474 1.807 20 0 HDADLO NS(=O)(=O)c1ccc(OCC[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000027359470 1076359363 /nfs/dbraw/zinc/35/93/63/1076359363.db2.gz XRTMLWYKVIKOKW-UHFFFAOYSA-N 1 2 405.520 1.409 20 0 HDADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cn2nnn(C3CCOCC3)c2=S)CC1 ZINC000729983578 1076406787 /nfs/dbraw/zinc/40/67/87/1076406787.db2.gz OBGLSKJGHAIIOO-OAHLLOKOSA-N 1 2 423.587 1.183 20 0 HDADLO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CN1CC[NH+](Cc3cnn(C)c3)CC1)C2=O ZINC000729987142 1076408204 /nfs/dbraw/zinc/40/82/04/1076408204.db2.gz UABCCLZXWJKJFP-HRAATJIYSA-N 1 2 402.543 1.632 20 0 HDADLO COc1ccc(-n2cnn(CN3CC[NH+](Cc4cnn(C)c4)CC3)c2=S)cn1 ZINC000729989769 1076408950 /nfs/dbraw/zinc/40/89/50/1076408950.db2.gz YGDNUNFHFUQIAC-UHFFFAOYSA-N 1 2 400.512 1.316 20 0 HDADLO O=C(CN1Cc2ccccc2C1=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000730051328 1076424555 /nfs/dbraw/zinc/42/45/55/1076424555.db2.gz BIVHEOZMOOTGAD-UHFFFAOYSA-N 1 2 413.499 1.592 20 0 HDADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1 ZINC000730085185 1076434418 /nfs/dbraw/zinc/43/44/18/1076434418.db2.gz DAYRYHGCAOJLBM-HNNXBMFYSA-N 1 2 403.531 1.245 20 0 HDADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)cc1 ZINC000730214522 1076478820 /nfs/dbraw/zinc/47/88/20/1076478820.db2.gz URSFLQULTDEONJ-SFHVURJKSA-N 1 2 424.476 1.622 20 0 HDADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000730228429 1076486252 /nfs/dbraw/zinc/48/62/52/1076486252.db2.gz UHHURFAACPRCIT-ICSRJNTNSA-N 1 2 402.539 1.930 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000730262460 1076503628 /nfs/dbraw/zinc/50/36/28/1076503628.db2.gz DCCQWAIWUWDAGG-ZDUSSCGKSA-N 1 2 406.439 1.662 20 0 HDADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000730262460 1076503637 /nfs/dbraw/zinc/50/36/37/1076503637.db2.gz DCCQWAIWUWDAGG-ZDUSSCGKSA-N 1 2 406.439 1.662 20 0 HDADLO CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000730312444 1076527758 /nfs/dbraw/zinc/52/77/58/1076527758.db2.gz PORLBLLZNPEQSZ-HNNXBMFYSA-N 1 2 411.549 1.247 20 0 HDADLO CN(CC(N)=O)C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C ZINC000730526542 1076589312 /nfs/dbraw/zinc/58/93/12/1076589312.db2.gz GUIGHENYUPFJSZ-KRWDZBQOSA-N 1 2 415.494 1.311 20 0 HDADLO O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000730528417 1076590458 /nfs/dbraw/zinc/59/04/58/1076590458.db2.gz RIJMAEGAYZDHFT-UHFFFAOYSA-N 1 2 423.477 1.524 20 0 HDADLO CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000730529110 1076590889 /nfs/dbraw/zinc/59/08/89/1076590889.db2.gz KLBUNRMBZRZVQN-KRWDZBQOSA-N 1 2 418.542 1.504 20 0 HDADLO Cc1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1NC(=O)C[NH+]1CCCCC1 ZINC000730537858 1076593725 /nfs/dbraw/zinc/59/37/25/1076593725.db2.gz ULZCVJLFVQPJPD-UHFFFAOYSA-N 1 2 423.477 1.443 20 0 HDADLO CCCN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000730542485 1076596003 /nfs/dbraw/zinc/59/60/03/1076596003.db2.gz WJVJCMREPGSRGC-SFHVURJKSA-N 1 2 408.506 1.974 20 0 HDADLO CCCN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000730542485 1076596012 /nfs/dbraw/zinc/59/60/12/1076596012.db2.gz WJVJCMREPGSRGC-SFHVURJKSA-N 1 2 408.506 1.974 20 0 HDADLO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1 ZINC000730543466 1076596057 /nfs/dbraw/zinc/59/60/57/1076596057.db2.gz HZFAWGJJWWDZFC-UHFFFAOYSA-N 1 2 423.477 1.524 20 0 HDADLO CC(C)OC1CC[NH+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 ZINC000730571112 1076605380 /nfs/dbraw/zinc/60/53/80/1076605380.db2.gz SHDHDBVQORKGIZ-JOCHJYFZSA-N 1 2 416.522 1.850 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571257 1076605517 /nfs/dbraw/zinc/60/55/17/1076605517.db2.gz PGIUCBRCFLLRGQ-HOTGVXAUSA-N 1 2 409.556 1.119 20 0 HDADLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000730571257 1076605530 /nfs/dbraw/zinc/60/55/30/1076605530.db2.gz PGIUCBRCFLLRGQ-HOTGVXAUSA-N 1 2 409.556 1.119 20 0 HDADLO C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730671670 1076634850 /nfs/dbraw/zinc/63/48/50/1076634850.db2.gz MAHBJHCAKRQFEM-JKSUJKDBSA-N 1 2 408.518 1.868 20 0 HDADLO C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000730671670 1076634853 /nfs/dbraw/zinc/63/48/53/1076634853.db2.gz MAHBJHCAKRQFEM-JKSUJKDBSA-N 1 2 408.518 1.868 20 0 HDADLO CN(CC1CC[NH+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000730816689 1076669600 /nfs/dbraw/zinc/66/96/00/1076669600.db2.gz CLUOYFXDEJEOLK-OAHLLOKOSA-N 1 2 403.483 1.687 20 0 HDADLO NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000731038750 1076716134 /nfs/dbraw/zinc/71/61/34/1076716134.db2.gz PXKVQJUBPKUXMP-FQEVSTJZSA-N 1 2 421.494 1.857 20 0 HDADLO NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000731037165 1076716164 /nfs/dbraw/zinc/71/61/64/1076716164.db2.gz FTHMFOUVYQCPRE-FQEVSTJZSA-N 1 2 421.494 1.857 20 0 HDADLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000685841558 1126106335 /nfs/dbraw/zinc/10/63/35/1126106335.db2.gz UCGWAOCMRCRTMX-ZFWWWQNUSA-N 1 2 406.430 1.162 20 0 HDADLO