smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)C1 ZINC000160906338 173725288 /nfs/dbraw/zinc/72/52/88/173725288.db2.gz BKUZNCYSTWVDQI-KRWDZBQOSA-N 1 1 368.499 1.723 20 70 FDIDMO C[NH+](C)CCN(C(=O)Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000217275534 258395420 /nfs/dbraw/zinc/39/54/20/258395420.db2.gz FYNCHFWPTZJAAO-LBPRGKRZSA-N 1 1 359.879 1.923 20 70 FDIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000159372878 524656721 /nfs/dbraw/zinc/65/67/21/524656721.db2.gz GBWMPSLCJACUCW-MSOLQXFVSA-N 1 1 374.460 1.345 20 70 FDIDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000159450457 524672836 /nfs/dbraw/zinc/67/28/36/524672836.db2.gz NVSYWTIGLZXGCK-NSHDSACASA-N 1 1 360.384 1.548 20 70 FDIDMO COc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000159460367 524675930 /nfs/dbraw/zinc/67/59/30/524675930.db2.gz CKUXRDCAKLALBH-CVEARBPZSA-N 1 1 350.459 1.755 20 70 FDIDMO Cc1ccccc1CN1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159562406 524698003 /nfs/dbraw/zinc/69/80/03/524698003.db2.gz ISWIEOHNJUDLFV-PMACEKPBSA-N 1 1 359.514 1.732 20 70 FDIDMO O=C(NC[C@H]1CCCS1(=O)=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159643114 524712302 /nfs/dbraw/zinc/71/23/02/524712302.db2.gz QESAIKQPESOLPY-SJORKVTESA-N 1 1 365.499 1.700 20 70 FDIDMO Cc1nc(C)c(CCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(=O)[nH]1 ZINC000159678365 524719662 /nfs/dbraw/zinc/71/96/62/524719662.db2.gz ZDMPHUHAMCXUHK-UHFFFAOYSA-N 1 1 364.490 1.136 20 70 FDIDMO C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)C[C@H]1CCC[C@@H]1O ZINC000159706825 524724299 /nfs/dbraw/zinc/72/42/99/524724299.db2.gz ORGDACGBRCYTBR-MOPGFXCFSA-N 1 1 356.470 1.640 20 70 FDIDMO CCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000159726882 524727863 /nfs/dbraw/zinc/72/78/63/524727863.db2.gz LPLIRKJSAGGGFV-YOEHRIQHSA-N 1 1 365.499 1.448 20 70 FDIDMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159770987 524735512 /nfs/dbraw/zinc/73/55/12/524735512.db2.gz NSRUUCZNGAMCIZ-BBRMVZONSA-N 1 1 367.877 1.830 20 70 FDIDMO CN(C)C(=O)Nc1cccc(C(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000159781831 524737653 /nfs/dbraw/zinc/73/76/53/524737653.db2.gz VYTUAUYSOCIRGZ-UHFFFAOYSA-N 1 1 361.490 1.538 20 70 FDIDMO CC(C)[C@H](CNC(=O)N(C)CCC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000159904150 524764918 /nfs/dbraw/zinc/76/49/18/524764918.db2.gz BXSHHAFHLSDVHM-INIZCTEOSA-N 1 1 370.538 1.632 20 70 FDIDMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC2(CCC2)C1 ZINC000159928100 524768918 /nfs/dbraw/zinc/76/89/18/524768918.db2.gz WTACKADLLJOCDB-UHFFFAOYSA-N 1 1 358.490 1.574 20 70 FDIDMO C[C@H](OC[C@@H]1CCCCO1)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159988851 524783098 /nfs/dbraw/zinc/78/30/98/524783098.db2.gz SURIJPDIKIVOPV-IRXDYDNUSA-N 1 1 356.507 1.777 20 70 FDIDMO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000160011507 524789829 /nfs/dbraw/zinc/78/98/29/524789829.db2.gz CEZSEQJYLHTSGB-QFBILLFUSA-N 1 1 362.518 1.824 20 70 FDIDMO C[C@@H](CNC(=O)NCc1cccc(-c2nc[nH]n2)c1)C[NH+]1CCOCC1 ZINC000160095506 524807192 /nfs/dbraw/zinc/80/71/92/524807192.db2.gz YNGPZSIROOUYBA-AWEZNQCLSA-N 1 1 358.446 1.239 20 70 FDIDMO CN(C)c1nc(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)ns1 ZINC000160119158 524811726 /nfs/dbraw/zinc/81/17/26/524811726.db2.gz QLXUUGCMGPKTLX-UHFFFAOYSA-N 1 1 374.558 1.854 20 70 FDIDMO CC[C@H](CNC(=O)C(=O)Nc1nocc1C)[N@H+]1CCc2ccccc2C1 ZINC000160171540 524824316 /nfs/dbraw/zinc/82/43/16/524824316.db2.gz WJBKWWIRQVUDLV-MRXNPFEDSA-N 1 1 356.426 1.875 20 70 FDIDMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000160306679 524853466 /nfs/dbraw/zinc/85/34/66/524853466.db2.gz BWBCYTRJYPZUMA-HUUCEWRRSA-N 1 1 356.492 1.243 20 70 FDIDMO CCc1c(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)[nH]c(C)c1C(N)=O ZINC000160316332 524856832 /nfs/dbraw/zinc/85/68/32/524856832.db2.gz VKYHXMIQNMIOSN-AWEZNQCLSA-N 1 1 364.490 1.461 20 70 FDIDMO C[C@H]1C[C@@H](NC(=O)N(C)CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000160351958 524865682 /nfs/dbraw/zinc/86/56/82/524865682.db2.gz GFAPPDOZABHREI-GOEBONIOSA-N 1 1 353.488 1.335 20 70 FDIDMO C[C@H]1C[C@@H](NC(=O)N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000160351958 524865691 /nfs/dbraw/zinc/86/56/91/524865691.db2.gz GFAPPDOZABHREI-GOEBONIOSA-N 1 1 353.488 1.335 20 70 FDIDMO CC(C)Oc1cncc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000160368645 524868645 /nfs/dbraw/zinc/86/86/45/524868645.db2.gz PKNUIPIOMCSZGH-KRWDZBQOSA-N 1 1 362.474 1.541 20 70 FDIDMO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1CC ZINC000160412795 524882064 /nfs/dbraw/zinc/88/20/64/524882064.db2.gz GCJVNOMHFBJGIG-CXAGYDPISA-N 1 1 361.490 1.520 20 70 FDIDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160425598 524884018 /nfs/dbraw/zinc/88/40/18/524884018.db2.gz IQPGRZNWSHKWTR-OAHLLOKOSA-N 1 1 365.478 1.095 20 70 FDIDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCn4ccnc4C3)c2)CCO1 ZINC000160460707 524893214 /nfs/dbraw/zinc/89/32/14/524893214.db2.gz LARKSJYVCSTFCK-VQIMIIECSA-N 1 1 368.481 1.983 20 70 FDIDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCn4ccnc4C3)c2)CCO1 ZINC000160460707 524893222 /nfs/dbraw/zinc/89/32/22/524893222.db2.gz LARKSJYVCSTFCK-VQIMIIECSA-N 1 1 368.481 1.983 20 70 FDIDMO COc1c(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(C)nn1C ZINC000160513804 524906494 /nfs/dbraw/zinc/90/64/94/524906494.db2.gz RMMODGHBUYOFRL-CVEARBPZSA-N 1 1 358.442 1.102 20 70 FDIDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000160531010 524909499 /nfs/dbraw/zinc/90/94/99/524909499.db2.gz YKPPAYAJMJZZBE-HOCLYGCPSA-N 1 1 361.490 1.988 20 70 FDIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000160531010 524909513 /nfs/dbraw/zinc/90/95/13/524909513.db2.gz YKPPAYAJMJZZBE-HOCLYGCPSA-N 1 1 361.490 1.988 20 70 FDIDMO COCCNc1nc(NCc2cc(C)no2)[nH+]c(NCc2cc(C)no2)n1 ZINC000160546969 524913380 /nfs/dbraw/zinc/91/33/80/524913380.db2.gz SRIJHRRRXACQNG-UHFFFAOYSA-N 1 1 374.405 1.747 20 70 FDIDMO O=C(CNc1cccc(F)c1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000160557014 524914759 /nfs/dbraw/zinc/91/47/59/524914759.db2.gz HFPKUQFBZTUEEC-RTBURBONSA-N 1 1 357.429 1.989 20 70 FDIDMO CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000160755002 524965146 /nfs/dbraw/zinc/96/51/46/524965146.db2.gz BALUOLFJFQNAEK-IRXDYDNUSA-N 1 1 350.507 1.809 20 70 FDIDMO O=C(NC[C@H](O)COc1ccc(F)cc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160785524 524971029 /nfs/dbraw/zinc/97/10/29/524971029.db2.gz CXWVSWJVFIBXRM-WBVHZDCISA-N 1 1 365.449 1.882 20 70 FDIDMO CC(C)[C@H](CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+]1CCOCC1 ZINC000160830190 524979737 /nfs/dbraw/zinc/97/97/37/524979737.db2.gz FWMLZMUUAQCODD-KRWDZBQOSA-N 1 1 372.473 1.960 20 70 FDIDMO C[NH+](C)[C@@H](CNC(=O)N1CCCN(c2cccnn2)CC1)c1ccco1 ZINC000160902139 524991529 /nfs/dbraw/zinc/99/15/29/524991529.db2.gz KTEGDSVUTINPJB-HNNXBMFYSA-N 1 1 358.446 1.594 20 70 FDIDMO Cc1nnnn1-c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000160938013 525000145 /nfs/dbraw/zinc/00/01/45/525000145.db2.gz LKNJEIVOLVARDH-RHSMWYFYSA-N 1 1 355.446 1.919 20 70 FDIDMO COc1ccc(-c2cc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)[nH]n2)cc1 ZINC000160958581 525005017 /nfs/dbraw/zinc/00/50/17/525005017.db2.gz YJFKCUQCENMXFD-OAHLLOKOSA-N 1 1 370.453 1.880 20 70 FDIDMO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161012937 525016964 /nfs/dbraw/zinc/01/69/64/525016964.db2.gz SISAGHLUCJDDKM-FQEVSTJZSA-N 1 1 367.424 1.884 20 70 FDIDMO COCCC1(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCC1 ZINC000161133407 525039570 /nfs/dbraw/zinc/03/95/70/525039570.db2.gz FLFADPHDBDYRTL-UHFFFAOYSA-N 1 1 354.495 1.045 20 70 FDIDMO COCC[N@@H+](C)CCNC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000161176577 525050269 /nfs/dbraw/zinc/05/02/69/525050269.db2.gz FHTFTMFNRIXIII-UHFFFAOYSA-N 1 1 363.487 1.567 20 70 FDIDMO COCC[N@H+](C)CCNC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000161176577 525050281 /nfs/dbraw/zinc/05/02/81/525050281.db2.gz FHTFTMFNRIXIII-UHFFFAOYSA-N 1 1 363.487 1.567 20 70 FDIDMO COCC[N@@H+](C)CCNC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000161176577 525050291 /nfs/dbraw/zinc/05/02/91/525050291.db2.gz FHTFTMFNRIXIII-UHFFFAOYSA-N 1 1 363.487 1.567 20 70 FDIDMO CC(=O)NC1CCC([NH2+]CCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000161217867 525057789 /nfs/dbraw/zinc/05/77/89/525057789.db2.gz JYRKDQOOZCJXLB-UHFFFAOYSA-N 1 1 358.530 1.841 20 70 FDIDMO CC[N@H+]1CC[C@H](CNC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000161327373 525082729 /nfs/dbraw/zinc/08/27/29/525082729.db2.gz JCPDXEQHHPTRFR-DYVFJYSZSA-N 1 1 353.413 1.990 20 70 FDIDMO CC[N@H+]1CC[C@@H](CNC(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)C1 ZINC000161327491 525082930 /nfs/dbraw/zinc/08/29/30/525082930.db2.gz JCPDXEQHHPTRFR-GUYCJALGSA-N 1 1 353.413 1.990 20 70 FDIDMO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)cn1 ZINC000161450652 525112475 /nfs/dbraw/zinc/11/24/75/525112475.db2.gz FVHRRABEOHUJQI-SFHVURJKSA-N 1 1 370.501 1.787 20 70 FDIDMO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)cn1 ZINC000161450652 525112481 /nfs/dbraw/zinc/11/24/81/525112481.db2.gz FVHRRABEOHUJQI-SFHVURJKSA-N 1 1 370.501 1.787 20 70 FDIDMO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161210374 258263602 /nfs/dbraw/zinc/26/36/02/258263602.db2.gz NELWXMOVUOPIRE-UHFFFAOYSA-N 1 1 364.449 1.886 20 70 FDIDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)C[C@H](O)c2ccccc2)CC1 ZINC000160447693 173712452 /nfs/dbraw/zinc/71/24/52/173712452.db2.gz BUGJSBIBMMGEKZ-PBHICJAKSA-N 1 1 362.474 1.008 20 70 FDIDMO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)co1 ZINC000160912817 173725310 /nfs/dbraw/zinc/72/53/10/173725310.db2.gz FAJUFXWIVROBKB-WFASDCNBSA-N 1 1 367.471 1.277 20 70 FDIDMO Cc1c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cnn1C1CCOCC1 ZINC000159361177 524652449 /nfs/dbraw/zinc/65/24/49/524652449.db2.gz QPEQAWQJCRLLPC-OAHLLOKOSA-N 1 1 363.506 1.156 20 70 FDIDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC000159427199 524667223 /nfs/dbraw/zinc/66/72/23/524667223.db2.gz LYLMJUCPEUEPSY-AWEZNQCLSA-N 1 1 371.441 1.769 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000159521943 524688951 /nfs/dbraw/zinc/68/89/51/524688951.db2.gz GIOSBMFIUAILSI-MRXNPFEDSA-N 1 1 366.531 1.859 20 70 FDIDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000159552154 524696171 /nfs/dbraw/zinc/69/61/71/524696171.db2.gz YOFARTHHWWQSEN-MRXNPFEDSA-N 1 1 358.486 1.960 20 70 FDIDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@@H]1CCC[C@@H]1O ZINC000159583279 524701903 /nfs/dbraw/zinc/70/19/03/524701903.db2.gz HIUZFXJHZCJFEI-LRDDRELGSA-N 1 1 363.849 1.952 20 70 FDIDMO Cc1ccc2ncc(C(=O)N(C)CC(C)(C)C[NH+]3CCOCC3)c(=O)n2c1 ZINC000159593905 524703540 /nfs/dbraw/zinc/70/35/40/524703540.db2.gz MAWSPSLPCVGDMU-UHFFFAOYSA-N 1 1 372.469 1.433 20 70 FDIDMO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159622646 524710935 /nfs/dbraw/zinc/71/09/35/524710935.db2.gz DNDCCDGXDGTLFY-SJORKVTESA-N 1 1 362.470 1.899 20 70 FDIDMO CC[C@H](NC(=O)Cn1ccccc1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159647862 524714218 /nfs/dbraw/zinc/71/42/18/524714218.db2.gz NBUISXWJRAOSJU-RBUKOAKNSA-N 1 1 369.465 1.644 20 70 FDIDMO CC[C@H](NC(=O)Cn1ccccc1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159647862 524714223 /nfs/dbraw/zinc/71/42/23/524714223.db2.gz NBUISXWJRAOSJU-RBUKOAKNSA-N 1 1 369.465 1.644 20 70 FDIDMO CC(C)CN(CC(N)=O)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000159724739 524726836 /nfs/dbraw/zinc/72/68/36/524726836.db2.gz ZZLRKQUEOVCLDZ-HZPDHXFCSA-N 1 1 361.486 1.879 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000159812963 524743654 /nfs/dbraw/zinc/74/36/54/524743654.db2.gz GODZAYJOHBVGRS-KRWDZBQOSA-N 1 1 365.518 1.452 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NCCCN2C(=O)COc3ccccc32)CC1 ZINC000159908329 524766074 /nfs/dbraw/zinc/76/60/74/524766074.db2.gz HFHPOIUZALXZEQ-UHFFFAOYSA-N 1 1 360.458 1.539 20 70 FDIDMO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)CN1CCOCC1 ZINC000160017411 524789596 /nfs/dbraw/zinc/78/95/96/524789596.db2.gz 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356.401 1.868 20 70 FDIDMO CC[NH2+]CC1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 ZINC000161001258 525014656 /nfs/dbraw/zinc/01/46/56/525014656.db2.gz IAXRXTBQINMGLC-UHFFFAOYSA-N 1 1 359.518 1.442 20 70 FDIDMO Cc1noc(C)c1S(=O)(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000161258434 525065792 /nfs/dbraw/zinc/06/57/92/525065792.db2.gz JGNHPNDGDKQSBS-OKILXGFUSA-N 1 1 370.519 1.471 20 70 FDIDMO O=C(C[C@@H]1COC(=O)C1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000161478776 525115997 /nfs/dbraw/zinc/11/59/97/525115997.db2.gz MOVMTZYVQJSWFC-AWEZNQCLSA-N 1 1 365.861 1.531 20 70 FDIDMO Cc1conc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000160209353 173702782 /nfs/dbraw/zinc/70/27/82/173702782.db2.gz SYQVPHHDDQCHTP-HNNXBMFYSA-N 1 1 371.441 1.248 20 70 FDIDMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000159378690 524655997 /nfs/dbraw/zinc/65/59/97/524655997.db2.gz MFORRAQUBHKLOP-NVXWUHKLSA-N 1 1 367.515 1.040 20 70 FDIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000159378690 524656007 /nfs/dbraw/zinc/65/60/07/524656007.db2.gz MFORRAQUBHKLOP-NVXWUHKLSA-N 1 1 367.515 1.040 20 70 FDIDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)C1 ZINC000159385184 524658372 /nfs/dbraw/zinc/65/83/72/524658372.db2.gz MXTMKLPBBLOLDL-OAHLLOKOSA-N 1 1 370.457 1.300 20 70 FDIDMO C[NH+](C)[C@H](CNC(=O)CN1CCC(Cn2ccnn2)CC1)c1ccccc1 ZINC000159492912 524682170 /nfs/dbraw/zinc/68/21/70/524682170.db2.gz SUYYHBLYBLDEHA-LJQANCHMSA-N 1 1 370.501 1.409 20 70 FDIDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[N@H+](C)CCN1C(=O)CNC1=O ZINC000159493333 524684441 /nfs/dbraw/zinc/68/44/41/524684441.db2.gz UBDQMHWPQVOUDM-HOTGVXAUSA-N 1 1 358.486 1.627 20 70 FDIDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[N@@H+](C)CCN1C(=O)CNC1=O ZINC000159493333 524684453 /nfs/dbraw/zinc/68/44/53/524684453.db2.gz UBDQMHWPQVOUDM-HOTGVXAUSA-N 1 1 358.486 1.627 20 70 FDIDMO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCN(CC)CC2)nc1 ZINC000159526180 524690316 /nfs/dbraw/zinc/69/03/16/524690316.db2.gz CQVQKBQADMCZMX-KRWDZBQOSA-N 1 1 361.534 1.960 20 70 FDIDMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CC(C)(CO)CO ZINC000159542029 524693625 /nfs/dbraw/zinc/69/36/25/524693625.db2.gz PUFGWTPCACFVAL-LLVKDONJSA-N 1 1 359.264 1.699 20 70 FDIDMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CC(C)(CO)CO ZINC000159542029 524693636 /nfs/dbraw/zinc/69/36/36/524693636.db2.gz PUFGWTPCACFVAL-LLVKDONJSA-N 1 1 359.264 1.699 20 70 FDIDMO C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C[C@H]1CCC[C@@H]1O ZINC000159550849 524696138 /nfs/dbraw/zinc/69/61/38/524696138.db2.gz QIZAYHHZZYRUMK-MJGOQNOKSA-N 1 1 356.470 1.624 20 70 FDIDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000159573300 524699538 /nfs/dbraw/zinc/69/95/38/524699538.db2.gz OCTNRHLLNGSSHU-VBKZILBWSA-N 1 1 372.469 1.736 20 70 FDIDMO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@H]1CCC[C@@H]1O ZINC000159604715 524706739 /nfs/dbraw/zinc/70/67/39/524706739.db2.gz WGQWZTZRUTXBLZ-MJGOQNOKSA-N 1 1 373.497 1.957 20 70 FDIDMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1-n1cnnn1 ZINC000159612500 524707401 /nfs/dbraw/zinc/70/74/01/524707401.db2.gz KYUIPCUCOBZLMV-GDBMZVCRSA-N 1 1 355.446 1.919 20 70 FDIDMO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159622523 524711054 /nfs/dbraw/zinc/71/10/54/524711054.db2.gz DNDCCDGXDGTLFY-IRXDYDNUSA-N 1 1 362.470 1.899 20 70 FDIDMO CC[N@@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC(N)=O ZINC000159664499 524716609 /nfs/dbraw/zinc/71/66/09/524716609.db2.gz FGXLSPQAFZOZLU-JTQLQIEISA-N 1 1 358.236 1.733 20 70 FDIDMO C[NH+]1CCN(CCCCNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000159781972 524736262 /nfs/dbraw/zinc/73/62/62/524736262.db2.gz PHHFUUVCTUGDSX-UHFFFAOYSA-N 1 1 360.433 1.425 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000159808484 524742629 /nfs/dbraw/zinc/74/26/29/524742629.db2.gz QKULWHTZWHXZCQ-AWEZNQCLSA-N 1 1 368.503 1.393 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[C@H]1c2ccccc2NC1=O ZINC000159986819 524783659 /nfs/dbraw/zinc/78/36/59/524783659.db2.gz QKGCMCLGJWJKAV-INIZCTEOSA-N 1 1 359.470 1.929 20 70 FDIDMO C[C@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)C[NH+]1CCOCC1 ZINC000160013912 524789158 /nfs/dbraw/zinc/78/91/58/524789158.db2.gz LVXZAPKZWRIWSN-CQSZACIVSA-N 1 1 362.474 1.539 20 70 FDIDMO CC[N@@H+](Cc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cc1)C(C)C ZINC000160062667 524798866 /nfs/dbraw/zinc/79/88/66/524798866.db2.gz WQEXJDBXVUCUME-UHFFFAOYSA-N 1 1 361.486 1.929 20 70 FDIDMO C[C@H]1C[C@@H](NC(=O)N2CCC(NC(N)=O)CC2)C[N@H+]1Cc1ccccc1 ZINC000160118360 524812606 /nfs/dbraw/zinc/81/26/06/524812606.db2.gz POQZAOBPHRIQEI-WMLDXEAASA-N 1 1 359.474 1.492 20 70 FDIDMO CCC[C@@H]1CN(C(=O)NCc2cccnc2N(C)C)CC[N@H+]1CCOC ZINC000160295072 524851486 /nfs/dbraw/zinc/85/14/86/524851486.db2.gz VMTOHBHYTIWVCF-QGZVFWFLSA-N 1 1 363.506 1.790 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCCNC(=O)C(C)(C)C ZINC000160328562 524859009 /nfs/dbraw/zinc/85/90/09/524859009.db2.gz LOZROXDAYVTJKO-UHFFFAOYSA-N 1 1 355.523 1.746 20 70 FDIDMO CCNC(=O)NC1(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCCC1 ZINC000160340123 524863535 /nfs/dbraw/zinc/86/35/35/524863535.db2.gz GQFVBJVDYBJKHM-UHFFFAOYSA-N 1 1 368.522 1.435 20 70 FDIDMO Cc1nc(CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)s1 ZINC000160371428 524871131 /nfs/dbraw/zinc/87/11/31/524871131.db2.gz JRAPQPZGPDOBDS-OAHLLOKOSA-N 1 1 352.504 1.361 20 70 FDIDMO C[C@@H]1C[C@H](NC(=O)N(C)CCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000160402150 524879023 /nfs/dbraw/zinc/87/90/23/524879023.db2.gz CXVJNFHBEAIYKM-MJGOQNOKSA-N 1 1 360.502 1.623 20 70 FDIDMO CC(C)N(C[C@@H](C)O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000160441334 524889729 /nfs/dbraw/zinc/88/97/29/524889729.db2.gz LJMDDYRPULCQDP-QZTJIDSGSA-N 1 1 362.518 1.998 20 70 FDIDMO NC(=O)c1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000160470265 524896786 /nfs/dbraw/zinc/89/67/86/524896786.db2.gz VDFRZVKBMFLQED-QZTJIDSGSA-N 1 1 353.422 1.151 20 70 FDIDMO Cc1cnccc1CCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000160476232 524898170 /nfs/dbraw/zinc/89/81/70/524898170.db2.gz VJQWGVZBVFOTGZ-KRWDZBQOSA-N 1 1 361.490 1.174 20 70 FDIDMO Cc1ccc(F)c(OCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000160487032 524901107 /nfs/dbraw/zinc/90/11/07/524901107.db2.gz FHNOHBXLHBVMRC-MRXNPFEDSA-N 1 1 363.433 1.454 20 70 FDIDMO O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160673772 524944326 /nfs/dbraw/zinc/94/43/26/524944326.db2.gz GSAAKTMOYKSTGO-DLBZAZTESA-N 1 1 356.470 1.855 20 70 FDIDMO CCCCNC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160688095 524949516 /nfs/dbraw/zinc/94/95/16/524949516.db2.gz ZANPRVBUDPCTOC-KRWDZBQOSA-N 1 1 350.507 1.809 20 70 FDIDMO CCC[C@H]1CN(C(=O)NC[C@@H](C)Cn2cccn2)CC[N@H+]1CCOC ZINC000160830134 524979191 /nfs/dbraw/zinc/97/91/91/524979191.db2.gz SILHAOOZAOTRBL-SJORKVTESA-N 1 1 351.495 1.662 20 70 FDIDMO CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)co1 ZINC000160912566 524994546 /nfs/dbraw/zinc/99/45/46/524994546.db2.gz FAJUFXWIVROBKB-DOMZBBRYSA-N 1 1 367.471 1.277 20 70 FDIDMO CC(C)CCn1ccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000160927936 524998691 /nfs/dbraw/zinc/99/86/91/524998691.db2.gz AUWSYFYTIOGPSX-INIZCTEOSA-N 1 1 350.511 1.934 20 70 FDIDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161052119 525022597 /nfs/dbraw/zinc/02/25/97/525022597.db2.gz HVLSKTWDDNMMQR-INIZCTEOSA-N 1 1 358.446 1.714 20 70 FDIDMO CCc1noc(C)c1NC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000161094072 525032324 /nfs/dbraw/zinc/03/23/24/525032324.db2.gz ZOTLGVVIXNVMDG-UHFFFAOYSA-N 1 1 357.414 1.536 20 70 FDIDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000161098398 525032673 /nfs/dbraw/zinc/03/26/73/525032673.db2.gz ISDRGGBBLVMMPC-NVXWUHKLSA-N 1 1 372.473 1.738 20 70 FDIDMO CCC(=O)N1CC[C@@H](C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000161193190 525052539 /nfs/dbraw/zinc/05/25/39/525052539.db2.gz MFIXXPOKFWNOSC-FGTMMUONSA-N 1 1 364.534 1.262 20 70 FDIDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161245819 525064432 /nfs/dbraw/zinc/06/44/32/525064432.db2.gz SKAKXBDQYFMWGF-INIZCTEOSA-N 1 1 355.442 1.720 20 70 FDIDMO Cn1cnc(-c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2)n1 ZINC000161346674 525087525 /nfs/dbraw/zinc/08/75/25/525087525.db2.gz PLPFRYHBHCNUQX-KRWDZBQOSA-N 1 1 372.473 1.841 20 70 FDIDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)[C@@H](C)C1 ZINC000161388900 525099148 /nfs/dbraw/zinc/09/91/48/525099148.db2.gz ACLBJOBOZKEPAB-STQMWFEESA-N 1 1 364.471 1.196 20 70 FDIDMO O=C1c2ccccc2C(=O)N1CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161413897 525103630 /nfs/dbraw/zinc/10/36/30/525103630.db2.gz PIUWUHDASKHBBJ-AWEZNQCLSA-N 1 1 356.344 1.918 20 70 FDIDMO Cc1ccc(C)c(NC(=O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159399165 524662484 /nfs/dbraw/zinc/66/24/84/524662484.db2.gz RDSPGGLHEDWNJO-SFHVURJKSA-N 1 1 358.486 1.656 20 70 FDIDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000159414359 524663894 /nfs/dbraw/zinc/66/38/94/524663894.db2.gz CZAIWXBCNXGWRD-INIZCTEOSA-N 1 1 361.877 1.902 20 70 FDIDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000159417846 524665250 /nfs/dbraw/zinc/66/52/50/524665250.db2.gz BMFHRXRRCJBOMI-LJQANCHMSA-N 1 1 353.470 1.786 20 70 FDIDMO Cc1cccn2c(C[N@H+]3CCCC[C@H]3CCNS(C)(=O)=O)cnc12 ZINC000159428819 524668785 /nfs/dbraw/zinc/66/87/85/524668785.db2.gz ZIHUYSPVBJDZDD-HNNXBMFYSA-N 1 1 350.488 1.937 20 70 FDIDMO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000159438914 524670440 /nfs/dbraw/zinc/67/04/40/524670440.db2.gz VHGPHGXCASJTCM-AWEZNQCLSA-N 1 1 360.458 1.127 20 70 FDIDMO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1C ZINC000159443591 524671981 /nfs/dbraw/zinc/67/19/81/524671981.db2.gz RMSXURHJUGQKKF-HNNXBMFYSA-N 1 1 374.485 1.387 20 70 FDIDMO C[C@H](NC(=O)c1ccccc1)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159634762 524712460 /nfs/dbraw/zinc/71/24/60/524712460.db2.gz RNBMKVOJWJCWOM-INIZCTEOSA-N 1 1 361.486 1.622 20 70 FDIDMO O=C(NC[C@@H]1CCCS1(=O)=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159642823 524713303 /nfs/dbraw/zinc/71/33/03/524713303.db2.gz QESAIKQPESOLPY-IRXDYDNUSA-N 1 1 365.499 1.700 20 70 FDIDMO CCc1nc(C[NH+]2CCC(CNC(=O)N[C@@H](C)CCO)CC2)cs1 ZINC000159647185 524714981 /nfs/dbraw/zinc/71/49/81/524714981.db2.gz NWQBUYGJLIRCHI-ZDUSSCGKSA-N 1 1 354.520 1.988 20 70 FDIDMO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000159710083 524724481 /nfs/dbraw/zinc/72/44/81/524724481.db2.gz CNPFLCGSNUMEOY-CABCVRRESA-N 1 1 353.488 1.632 20 70 FDIDMO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000159710083 524724490 /nfs/dbraw/zinc/72/44/90/524724490.db2.gz CNPFLCGSNUMEOY-CABCVRRESA-N 1 1 353.488 1.632 20 70 FDIDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000159747594 524730721 /nfs/dbraw/zinc/73/07/21/524730721.db2.gz AHGONKLBTHWAEH-NEPJUHHUSA-N 1 1 350.385 1.131 20 70 FDIDMO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159744282 524731293 /nfs/dbraw/zinc/73/12/93/524731293.db2.gz KYKIEIZSYRVXKR-YJBOKZPZSA-N 1 1 367.515 1.137 20 70 FDIDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159744282 524731305 /nfs/dbraw/zinc/73/13/05/524731305.db2.gz KYKIEIZSYRVXKR-YJBOKZPZSA-N 1 1 367.515 1.137 20 70 FDIDMO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159753478 524732771 /nfs/dbraw/zinc/73/27/71/524732771.db2.gz YFTIUISYXVTWOU-HOCLYGCPSA-N 1 1 367.515 1.306 20 70 FDIDMO Cc1ccc(NC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cn1 ZINC000159777153 524736845 /nfs/dbraw/zinc/73/68/45/524736845.db2.gz DBXNWJRMSUBVJY-UHFFFAOYSA-N 1 1 360.458 1.480 20 70 FDIDMO CCN1CC[NH+](CCCNC(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000159808375 524743370 /nfs/dbraw/zinc/74/33/70/524743370.db2.gz LHOLBYUYAQETPT-UHFFFAOYSA-N 1 1 374.407 1.780 20 70 FDIDMO O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCCS1(=O)=O ZINC000159831926 524749440 /nfs/dbraw/zinc/74/94/40/524749440.db2.gz AYWOIFNHLAHAEF-KRWDZBQOSA-N 1 1 365.499 1.311 20 70 FDIDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCCS1(=O)=O ZINC000159831926 524749449 /nfs/dbraw/zinc/74/94/49/524749449.db2.gz AYWOIFNHLAHAEF-KRWDZBQOSA-N 1 1 365.499 1.311 20 70 FDIDMO O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000159906733 524764206 /nfs/dbraw/zinc/76/42/06/524764206.db2.gz BOXFQDVVRXVVKO-HNNXBMFYSA-N 1 1 373.432 1.591 20 70 FDIDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000160005540 524787082 /nfs/dbraw/zinc/78/70/82/524787082.db2.gz OHDXJTSIBWTRBG-WMZOPIPTSA-N 1 1 367.515 1.548 20 70 FDIDMO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cnn1-c1ccccc1 ZINC000160179346 524824613 /nfs/dbraw/zinc/82/46/13/524824613.db2.gz VNPOEEFGCCYRBX-HNNXBMFYSA-N 1 1 369.469 1.967 20 70 FDIDMO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000160253789 524840851 /nfs/dbraw/zinc/84/08/51/524840851.db2.gz IKUKXEHECMCFSY-ZDUSSCGKSA-N 1 1 359.474 1.975 20 70 FDIDMO C[C@H]1C[C@@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)C[N@H+]1Cc1ccccc1 ZINC000160283079 524848379 /nfs/dbraw/zinc/84/83/79/524848379.db2.gz BPEALIVXUDPBNJ-CGTJXYLNSA-N 1 1 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70 FDIDMO Cc1ccc(S(N)(=O)=O)c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000160596359 524926199 /nfs/dbraw/zinc/92/61/99/524926199.db2.gz AOACHUXGDRJUCF-HNNXBMFYSA-N 1 1 367.515 1.884 20 70 FDIDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC2(C1)OCCO2 ZINC000160668235 524942283 /nfs/dbraw/zinc/94/22/83/524942283.db2.gz ZHQLMMNUYVWNJR-SJLPKXTDSA-N 1 1 359.470 1.214 20 70 FDIDMO Cn1cc[nH+]c1CC1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000160675948 524945836 /nfs/dbraw/zinc/94/58/36/524945836.db2.gz QUQLHBHCHQVZLS-QGZVFWFLSA-N 1 1 370.501 1.878 20 70 FDIDMO Cc1onc(-c2ccncc2)c1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000160862472 524986826 /nfs/dbraw/zinc/98/68/26/524986826.db2.gz ZDPTZACQRYSNKJ-OAHLLOKOSA-N 1 1 371.441 1.362 20 70 FDIDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@@](C)(O)C3)c2)CCO1 ZINC000160945734 525001843 /nfs/dbraw/zinc/00/18/43/525001843.db2.gz LUZFMQWPMREYGQ-OXJNMPFZSA-N 1 1 361.486 1.964 20 70 FDIDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@@](C)(O)C3)c2)CCO1 ZINC000160945734 525001855 /nfs/dbraw/zinc/00/18/55/525001855.db2.gz LUZFMQWPMREYGQ-OXJNMPFZSA-N 1 1 361.486 1.964 20 70 FDIDMO Cc1cccc(N2CCC(NC(=O)N3C[C@H]4OCCN(C)[C@@H]4C3)CC2)[nH+]1 ZINC000160973377 525007166 /nfs/dbraw/zinc/00/71/66/525007166.db2.gz PGRABELRDMYKIH-IAGOWNOFSA-N 1 1 359.474 1.083 20 70 FDIDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C1(NC(N)=O)CC1 ZINC000161066857 525026624 /nfs/dbraw/zinc/02/66/24/525026624.db2.gz NYRTVWURKPQDRA-INIZCTEOSA-N 1 1 358.486 1.777 20 70 FDIDMO CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)CC2 ZINC000161210677 525057213 /nfs/dbraw/zinc/05/72/13/525057213.db2.gz WBPSFRYOHWNFBZ-XIRDDKMYSA-N 1 1 365.474 1.844 20 70 FDIDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCC(=O)NC2CCCC2)C[C@H](C)O1 ZINC000161239739 525061496 /nfs/dbraw/zinc/06/14/96/525061496.db2.gz LFBVBYSQEUCSBM-GJZGRUSLSA-N 1 1 353.507 1.829 20 70 FDIDMO CCc1ccc(CN2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)s1 ZINC000161427339 525106427 /nfs/dbraw/zinc/10/64/27/525106427.db2.gz HOLIACLTLUSUFJ-SJORKVTESA-N 1 1 368.543 1.985 20 70 FDIDMO CCc1ccc(C[NH+]2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)s1 ZINC000161427339 525106433 /nfs/dbraw/zinc/10/64/33/525106433.db2.gz HOLIACLTLUSUFJ-SJORKVTESA-N 1 1 368.543 1.985 20 70 FDIDMO CCc1ccc(CN2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)s1 ZINC000161427172 525106820 /nfs/dbraw/zinc/10/68/20/525106820.db2.gz HOLIACLTLUSUFJ-IRXDYDNUSA-N 1 1 368.543 1.985 20 70 FDIDMO CCc1ccc(C[NH+]2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)s1 ZINC000161427172 525106829 /nfs/dbraw/zinc/10/68/29/525106829.db2.gz HOLIACLTLUSUFJ-IRXDYDNUSA-N 1 1 368.543 1.985 20 70 FDIDMO C[NH+](C)CCN(C(=O)NCCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000217527173 537455532 /nfs/dbraw/zinc/45/55/32/537455532.db2.gz MOTJBLNZJXUZLJ-MRXNPFEDSA-N 1 1 371.478 1.129 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000159589597 173683026 /nfs/dbraw/zinc/68/30/26/173683026.db2.gz GMZDRLQTWCMIHP-UHFFFAOYSA-N 1 1 374.485 1.157 20 70 FDIDMO Cc1cccc(-n2cc(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nn2)c1 ZINC000159394334 524660497 /nfs/dbraw/zinc/66/04/97/524660497.db2.gz BXSRYCZJOUSDBW-IYBDPMFKSA-N 1 1 357.458 1.805 20 70 FDIDMO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159417130 524666739 /nfs/dbraw/zinc/66/67/39/524666739.db2.gz VPTSTJIKYWDAHP-VQIMIIECSA-N 1 1 372.513 1.448 20 70 FDIDMO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC000159465244 524676253 /nfs/dbraw/zinc/67/62/53/524676253.db2.gz NHZFKOWWXSAVQR-PKOBYXMFSA-N 1 1 370.501 1.409 20 70 FDIDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1cccc(F)c1F ZINC000159465182 524676521 /nfs/dbraw/zinc/67/65/21/524676521.db2.gz XMTKHWWPZANPRS-GRYCIOLGSA-N 1 1 360.426 1.649 20 70 FDIDMO CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000159471396 524679426 /nfs/dbraw/zinc/67/94/26/524679426.db2.gz FZBNCYGPZKVQHT-CQSZACIVSA-N 1 1 356.536 1.839 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000159551825 524696241 /nfs/dbraw/zinc/69/62/41/524696241.db2.gz OXPHIMUCFWEJMU-UHFFFAOYSA-N 1 1 360.502 1.756 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000159587229 524702473 /nfs/dbraw/zinc/70/24/73/524702473.db2.gz BREWQRCTIUDPPV-UHFFFAOYSA-N 1 1 352.866 1.807 20 70 FDIDMO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000159579664 524702572 /nfs/dbraw/zinc/70/25/72/524702572.db2.gz GMGDQIWOXBPNQR-OAHLLOKOSA-N 1 1 367.515 1.883 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cnc2sccn2c1=O ZINC000159637618 524712757 /nfs/dbraw/zinc/71/27/57/524712757.db2.gz RAZKSCYPTVPMLS-UHFFFAOYSA-N 1 1 364.471 1.186 20 70 FDIDMO Cc1[nH]nc(C(C)C)c1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000159659912 524717169 /nfs/dbraw/zinc/71/71/69/524717169.db2.gz QJBLKLRLVBBATK-UHFFFAOYSA-N 1 1 371.489 1.574 20 70 FDIDMO Cc1n[nH]c(C(C)C)c1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000159659912 524717180 /nfs/dbraw/zinc/71/71/80/524717180.db2.gz QJBLKLRLVBBATK-UHFFFAOYSA-N 1 1 371.489 1.574 20 70 FDIDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CCN1c2ccccc2CCC1=O ZINC000159686915 524721868 /nfs/dbraw/zinc/72/18/68/524721868.db2.gz DDTMNTPQTHDXLU-UHFFFAOYSA-N 1 1 372.513 1.452 20 70 FDIDMO CC(C)CCn1cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)nn1 ZINC000159736290 524729522 /nfs/dbraw/zinc/72/95/22/524729522.db2.gz MJMQQIDQOWANIX-UHFFFAOYSA-N 1 1 351.495 1.755 20 70 FDIDMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@H]1CCC[C@@H]1O ZINC000159729550 524730066 /nfs/dbraw/zinc/73/00/66/524730066.db2.gz WJZACNKFXAJKPV-ABAIWWIYSA-N 1 1 353.850 1.860 20 70 FDIDMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnccn1 ZINC000159743010 524731764 /nfs/dbraw/zinc/73/17/64/524731764.db2.gz LPKSCNGKJFOBRQ-AWEZNQCLSA-N 1 1 362.455 1.348 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NCc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000159787672 524739247 /nfs/dbraw/zinc/73/92/47/524739247.db2.gz BWZITJBLQOWCPT-UHFFFAOYSA-N 1 1 353.488 1.468 20 70 FDIDMO CNC(=O)COc1cccc(CC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000159872540 524757761 /nfs/dbraw/zinc/75/77/61/524757761.db2.gz MUSFBANRSCWJHR-MRXNPFEDSA-N 1 1 359.426 1.366 20 70 FDIDMO Cn1nc2c(cc1=O)CN(Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000159912058 524766413 /nfs/dbraw/zinc/76/64/13/524766413.db2.gz KKCWIUQCEYDZSX-UHFFFAOYSA-N 1 1 374.242 1.977 20 70 FDIDMO COCCN(C)S(=O)(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160012074 524790464 /nfs/dbraw/zinc/79/04/64/524790464.db2.gz OONCQGYRSMLMSS-SJLPKXTDSA-N 1 1 369.531 1.794 20 70 FDIDMO Cn1cc(N2CCC[C@H]([N@H+]3CC[C@H](CNc4ccccn4)C3)C2=O)cn1 ZINC000160087928 524805634 /nfs/dbraw/zinc/80/56/34/524805634.db2.gz IMIZRWJNAVQOJG-WBVHZDCISA-N 1 1 354.458 1.745 20 70 FDIDMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000160266036 524845399 /nfs/dbraw/zinc/84/53/99/524845399.db2.gz ZTZHMRAFDHIXSX-OAQYLSRUSA-N 1 1 374.529 1.881 20 70 FDIDMO CCc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)[nH]c(C)c1C(N)=O ZINC000160303288 524853653 /nfs/dbraw/zinc/85/36/53/524853653.db2.gz WGBRODSSTUUMIC-AWEZNQCLSA-N 1 1 350.463 1.071 20 70 FDIDMO CC(C)NC(=O)c1ccc(C(=O)NCCCCN2CC[NH+](C)CC2)cc1 ZINC000160303440 524854898 /nfs/dbraw/zinc/85/48/98/524854898.db2.gz MDNQDCXOAHNVFK-UHFFFAOYSA-N 1 1 360.502 1.582 20 70 FDIDMO CCc1c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)[nH]c(C)c1C(N)=O ZINC000160316201 524856082 /nfs/dbraw/zinc/85/60/82/524856082.db2.gz VKYHXMIQNMIOSN-CQSZACIVSA-N 1 1 364.490 1.461 20 70 FDIDMO Cc1[nH]c(=O)ccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160341672 524862872 /nfs/dbraw/zinc/86/28/72/524862872.db2.gz YDCCADMJPHKXEY-MRXNPFEDSA-N 1 1 354.410 1.798 20 70 FDIDMO Cc1[nH]c(=O)ccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160341672 524862881 /nfs/dbraw/zinc/86/28/81/524862881.db2.gz YDCCADMJPHKXEY-MRXNPFEDSA-N 1 1 354.410 1.798 20 70 FDIDMO CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000160415463 524883486 /nfs/dbraw/zinc/88/34/86/524883486.db2.gz IRXVROBVPMYFFV-WMLDXEAASA-N 1 1 352.500 1.821 20 70 FDIDMO CC(C)(C)C(=O)N1CCC(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000160538987 524909884 /nfs/dbraw/zinc/90/98/84/524909884.db2.gz GGAZSTBGOPBYTG-INIZCTEOSA-N 1 1 356.532 1.923 20 70 FDIDMO CCN(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160722515 524955445 /nfs/dbraw/zinc/95/54/45/524955445.db2.gz BJHIHMQRWGLIHB-OKZBNKHCSA-N 1 1 374.485 1.325 20 70 FDIDMO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)CC2 ZINC000160737633 524960472 /nfs/dbraw/zinc/96/04/72/524960472.db2.gz ITWIXHWZVAUCRX-GJZGRUSLSA-N 1 1 373.461 1.118 20 70 FDIDMO Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(=O)[nH]1 ZINC000160781157 524967752 /nfs/dbraw/zinc/96/77/52/524967752.db2.gz IZIYCLLBSOLTKH-IAGOWNOFSA-N 1 1 355.438 1.357 20 70 FDIDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000160816681 524976668 /nfs/dbraw/zinc/97/66/68/524976668.db2.gz JEOUGHCEPYTIBD-ZDUSSCGKSA-N 1 1 369.487 1.619 20 70 FDIDMO COC[C@@H](O)CCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000160911626 524993872 /nfs/dbraw/zinc/99/38/72/524993872.db2.gz 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FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000160189079 524827330 /nfs/dbraw/zinc/82/73/30/524827330.db2.gz GWZKDIAUMQUSBC-UHFFFAOYSA-N 1 1 371.485 1.762 20 70 FDIDMO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cnn1-c1ccccc1 ZINC000160241538 524838512 /nfs/dbraw/zinc/83/85/12/524838512.db2.gz KYZADUCIRSFMBK-OAHLLOKOSA-N 1 1 367.453 1.720 20 70 FDIDMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000160306801 524854866 /nfs/dbraw/zinc/85/48/66/524854866.db2.gz BWBCYTRJYPZUMA-CABCVRRESA-N 1 1 356.492 1.243 20 70 FDIDMO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000160326022 524858763 /nfs/dbraw/zinc/85/87/63/524858763.db2.gz BIXFFAONTVOPPG-SQNIBIBYSA-N 1 1 351.491 1.840 20 70 FDIDMO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160428224 524886822 /nfs/dbraw/zinc/88/68/22/524886822.db2.gz FSICYGAOTILAMP-YJBOKZPZSA-N 1 1 351.516 1.901 20 70 FDIDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160428224 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358.446 1.403 20 70 FDIDMO CNC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160588681 524922588 /nfs/dbraw/zinc/92/25/88/524922588.db2.gz CAKNMAFZOYTLFP-YVWKXTFCSA-N 1 1 359.470 1.217 20 70 FDIDMO CNC(=O)[C@H](NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160588681 524922597 /nfs/dbraw/zinc/92/25/97/524922597.db2.gz CAKNMAFZOYTLFP-YVWKXTFCSA-N 1 1 359.470 1.217 20 70 FDIDMO CCOC(=O)C1(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CCC1 ZINC000160705750 524952594 /nfs/dbraw/zinc/95/25/94/524952594.db2.gz XAWVVLOFXLHAHS-DLBZAZTESA-N 1 1 360.454 1.471 20 70 FDIDMO CCN(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160722400 524956785 /nfs/dbraw/zinc/95/67/85/524956785.db2.gz BJHIHMQRWGLIHB-FGTMMUONSA-N 1 1 374.485 1.325 20 70 FDIDMO CNS(=O)(=O)c1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)co1 ZINC000160816084 524977274 /nfs/dbraw/zinc/97/72/74/524977274.db2.gz QJVQFCKWKWLJBQ-LBPRGKRZSA-N 1 1 355.460 1.277 20 70 FDIDMO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC000160881833 524988218 /nfs/dbraw/zinc/98/82/18/524988218.db2.gz JIHLPIHQUAMIDS-PKOBYXMFSA-N 1 1 363.550 1.425 20 70 FDIDMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000160888163 524990052 /nfs/dbraw/zinc/99/00/52/524990052.db2.gz ATMPZXLAOWBRAE-ZDUSSCGKSA-N 1 1 374.532 1.200 20 70 FDIDMO Cc1conc1NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160971597 525007209 /nfs/dbraw/zinc/00/72/09/525007209.db2.gz SSOGATPGSGVMHP-OKILXGFUSA-N 1 1 364.446 1.269 20 70 FDIDMO Cn1cnc(-c2ccc(NC(=O)NCCCCN3CC[NH+](C)CC3)cc2)n1 ZINC000161162624 525046726 /nfs/dbraw/zinc/04/67/26/525046726.db2.gz BQORPVLQWNUTGC-UHFFFAOYSA-N 1 1 371.489 1.631 20 70 FDIDMO C[C@@H](Oc1cccc(CO)c1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161210580 525055609 /nfs/dbraw/zinc/05/56/09/525055609.db2.gz HCHKXXNUWIXEOT-BZUAXINKSA-N 1 1 364.486 1.950 20 70 FDIDMO CCn1c(=O)[nH]c2cc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)ccc2c1=O ZINC000161403196 525100605 /nfs/dbraw/zinc/10/06/05/525100605.db2.gz GAJXEFAFHLGDOA-BLLLJJGKSA-N 1 1 358.442 1.168 20 70 FDIDMO CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)[nH]1 ZINC000159391866 524660736 /nfs/dbraw/zinc/66/07/36/524660736.db2.gz VRKOTUXGZHIWRY-CQSZACIVSA-N 1 1 356.492 1.010 20 70 FDIDMO CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)[nH]1 ZINC000159391866 524660747 /nfs/dbraw/zinc/66/07/47/524660747.db2.gz VRKOTUXGZHIWRY-CQSZACIVSA-N 1 1 356.492 1.010 20 70 FDIDMO C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159460088 524673991 /nfs/dbraw/zinc/67/39/91/524673991.db2.gz FCMNIXGTWBPWAO-CJNGLKHVSA-N 1 1 351.422 1.127 20 70 FDIDMO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000159462779 524676968 /nfs/dbraw/zinc/67/69/68/524676968.db2.gz DWRTURMJWGRCIS-AWEZNQCLSA-N 1 1 360.458 1.079 20 70 FDIDMO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000159560910 524697871 /nfs/dbraw/zinc/69/78/71/524697871.db2.gz GKGUOJKUAVUJRE-PVAVHDDUSA-N 1 1 364.486 1.844 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC000159588683 524703887 /nfs/dbraw/zinc/70/38/87/524703887.db2.gz FQFFJZFBTNBHRE-UHFFFAOYSA-N 1 1 350.438 1.601 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cnn(-c2ccccc2)n1 ZINC000159597583 524706071 /nfs/dbraw/zinc/70/60/71/524706071.db2.gz UGTYJEOAFJDUCQ-UHFFFAOYSA-N 1 1 357.458 1.698 20 70 FDIDMO Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159653775 524715258 /nfs/dbraw/zinc/71/52/58/524715258.db2.gz DCXMDEJKUHVPAS-UHFFFAOYSA-N 1 1 362.430 1.255 20 70 FDIDMO CC(C)Oc1cc(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)ccn1 ZINC000159669622 524717279 /nfs/dbraw/zinc/71/72/79/524717279.db2.gz UNNAJDXUHJRVNR-INIZCTEOSA-N 1 1 363.506 1.552 20 70 FDIDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H](C)c2c(C)noc2C)CC1 ZINC000159677932 524719172 /nfs/dbraw/zinc/71/91/72/524719172.db2.gz KBLMFVUNTODDEX-HUUCEWRRSA-N 1 1 365.522 1.968 20 70 FDIDMO CN(C)c1cccc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000159805868 524740222 /nfs/dbraw/zinc/74/02/22/524740222.db2.gz WXMHOXMOHYIYTH-UHFFFAOYSA-N 1 1 363.483 1.911 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000159808616 524742441 /nfs/dbraw/zinc/74/24/41/524742441.db2.gz QKULWHTZWHXZCQ-CQSZACIVSA-N 1 1 368.503 1.393 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NCCNC(=O)c2c(F)cccc2F)CC1 ZINC000159856992 524752532 /nfs/dbraw/zinc/75/25/32/524752532.db2.gz NLQPNCVLLUQAPN-UHFFFAOYSA-N 1 1 354.401 1.432 20 70 FDIDMO COc1cc[nH+]c(N2CCN([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1 ZINC000159863602 524755013 /nfs/dbraw/zinc/75/50/13/524755013.db2.gz OWXSKXSROGBWNG-AWEZNQCLSA-N 1 1 372.391 1.766 20 70 FDIDMO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159863615 524755061 /nfs/dbraw/zinc/75/50/61/524755061.db2.gz DKRBGTWDIZMDFE-CJNGLKHVSA-N 1 1 367.877 1.796 20 70 FDIDMO CN(C)c1cccc(C[N@H+](C)CC(=O)NC2CCC3(CC2)OCCO3)c1 ZINC000159884588 524760266 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524658800 /nfs/dbraw/zinc/65/88/00/524658800.db2.gz BEVONDYXBLOVTM-AWEZNQCLSA-N 1 1 352.504 1.525 20 70 FDIDMO CC[N@@H+](CCc1nccs1)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000159382228 524658806 /nfs/dbraw/zinc/65/88/06/524658806.db2.gz BEVONDYXBLOVTM-AWEZNQCLSA-N 1 1 352.504 1.525 20 70 FDIDMO Cc1cccc(CNC(=O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159391837 524660049 /nfs/dbraw/zinc/66/00/49/524660049.db2.gz HYPVLUGPQHVGIP-SFHVURJKSA-N 1 1 358.486 1.025 20 70 FDIDMO CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1C ZINC000159442796 524670370 /nfs/dbraw/zinc/67/03/70/524670370.db2.gz FNIIWSGRWIFLNA-MRXNPFEDSA-N 1 1 374.485 1.986 20 70 FDIDMO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000159457207 524673815 /nfs/dbraw/zinc/67/38/15/524673815.db2.gz GHIXFRRDWVCKDH-OAHLLOKOSA-N 1 1 374.485 1.469 20 70 FDIDMO CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159471537 524679248 /nfs/dbraw/zinc/67/92/48/524679248.db2.gz FZBNCYGPZKVQHT-AWEZNQCLSA-N 1 1 356.536 1.839 20 70 FDIDMO C[NH+](C)[C@@H](CNC(=O)CN1CCC(Cn2ccnn2)CC1)c1ccccc1 ZINC000159492793 524682660 /nfs/dbraw/zinc/68/26/60/524682660.db2.gz SUYYHBLYBLDEHA-IBGZPJMESA-N 1 1 370.501 1.409 20 70 FDIDMO CN(CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCSC1 ZINC000159489221 524682997 /nfs/dbraw/zinc/68/29/97/524682997.db2.gz VCNPNRMEAQDTCQ-ZACQAIPSSA-N 1 1 355.548 1.308 20 70 FDIDMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CC(C)(CO)CO ZINC000159541887 524692534 /nfs/dbraw/zinc/69/25/34/524692534.db2.gz PUFGWTPCACFVAL-NSHDSACASA-N 1 1 359.264 1.699 20 70 FDIDMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CC(C)(CO)CO ZINC000159541887 524692540 /nfs/dbraw/zinc/69/25/40/524692540.db2.gz PUFGWTPCACFVAL-NSHDSACASA-N 1 1 359.264 1.699 20 70 FDIDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1CC2(C1)NC(=O)NC2=O ZINC000159583878 524701269 /nfs/dbraw/zinc/70/12/69/524701269.db2.gz KVXNXNLWBRUQGU-PCVOSPCESA-N 1 1 370.453 1.098 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NCCNC(=O)c2ccccc2Cl)CC1 ZINC000159587823 524702150 /nfs/dbraw/zinc/70/21/50/524702150.db2.gz OQLIRGDKAZFFJH-UHFFFAOYSA-N 1 1 352.866 1.807 20 70 FDIDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1-n1cnnn1 ZINC000159604223 524705864 /nfs/dbraw/zinc/70/58/64/524705864.db2.gz GISKJJSLEIYRIV-WMLDXEAASA-N 1 1 355.446 1.919 20 70 FDIDMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159661494 524716454 /nfs/dbraw/zinc/71/64/54/524716454.db2.gz OCZDSHDMOVZYIM-RDJZCZTQSA-N 1 1 365.499 1.257 20 70 FDIDMO CCCCn1ncc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000159665785 524716862 /nfs/dbraw/zinc/71/68/62/524716862.db2.gz SHYXVCQUPHDVTB-OAHLLOKOSA-N 1 1 350.511 1.997 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000159824884 524747253 /nfs/dbraw/zinc/74/72/53/524747253.db2.gz IRPZBJRDKXNRNL-KRWDZBQOSA-N 1 1 360.454 1.585 20 70 FDIDMO CC[N@H+]1CCCN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000159847309 524751003 /nfs/dbraw/zinc/75/10/03/524751003.db2.gz XXPOIFPQMTXPKL-UHFFFAOYSA-N 1 1 372.469 1.800 20 70 FDIDMO Cc1cc(C)n2nc(C(=O)N(C)CC(C)(C)C[NH+]3CCOCC3)nc2n1 ZINC000159920090 524768388 /nfs/dbraw/zinc/76/83/88/524768388.db2.gz SLCSGFMSDYEPRQ-UHFFFAOYSA-N 1 1 360.462 1.172 20 70 FDIDMO C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000160100959 524808369 /nfs/dbraw/zinc/80/83/69/524808369.db2.gz ZTOLNCOGNFTGJI-ZWKOTPCHSA-N 1 1 360.502 1.923 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000160117568 524811783 /nfs/dbraw/zinc/81/17/83/524811783.db2.gz BZUSGXUBIATUJE-MRXNPFEDSA-N 1 1 359.470 1.929 20 70 FDIDMO NC(=O)C[N@@H+](CCC1CCCCC1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000160209693 524830179 /nfs/dbraw/zinc/83/01/79/524830179.db2.gz OXSHYTONIOETSY-UHFFFAOYSA-N 1 1 364.490 1.609 20 70 FDIDMO Cc1conc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000160209234 524830914 /nfs/dbraw/zinc/83/09/14/524830914.db2.gz SYQVPHHDDQCHTP-OAHLLOKOSA-N 1 1 371.441 1.248 20 70 FDIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)COc1ccccc1 ZINC000160475665 524898223 /nfs/dbraw/zinc/89/82/23/524898223.db2.gz CSINJGXILWBVCD-IAGOWNOFSA-N 1 1 361.486 1.807 20 70 FDIDMO Cc1cc(C)n([C@H](C)C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000160595494 524924888 /nfs/dbraw/zinc/92/48/88/524924888.db2.gz XQUGFFDJEQUXCM-NEWSRXKRSA-N 1 1 356.470 1.813 20 70 FDIDMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)Cc3c(F)cccc3F)CC2)CCO1 ZINC000160803817 524974370 /nfs/dbraw/zinc/97/43/70/524974370.db2.gz ATZPOJWIADPDGE-CYBMUJFWSA-N 1 1 374.453 1.980 20 70 FDIDMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)Cc3c(F)cccc3F)CC2)CCO1 ZINC000160803817 524974380 /nfs/dbraw/zinc/97/43/80/524974380.db2.gz ATZPOJWIADPDGE-CYBMUJFWSA-N 1 1 374.453 1.980 20 70 FDIDMO Cc1onc(-c2ccncc2)c1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000160952607 525001588 /nfs/dbraw/zinc/00/15/88/525001588.db2.gz UTDGTPZLXRZICG-OAHLLOKOSA-N 1 1 356.426 1.839 20 70 FDIDMO CCN(C(=O)NCC(=O)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161142586 525041028 /nfs/dbraw/zinc/04/10/28/525041028.db2.gz XCXLXOGDOJVEHJ-SFHVURJKSA-N 1 1 374.485 1.151 20 70 FDIDMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000161241147 525061592 /nfs/dbraw/zinc/06/15/92/525061592.db2.gz PXQRNUYMXMCVAT-OAHLLOKOSA-N 1 1 353.488 1.718 20 70 FDIDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2-n2cccn2)C1 ZINC000159427512 173677163 /nfs/dbraw/zinc/67/71/63/173677163.db2.gz BNQRWAKTMUSXQK-INIZCTEOSA-N 1 1 369.469 1.905 20 70 FDIDMO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159802259 173688647 /nfs/dbraw/zinc/68/86/47/173688647.db2.gz PZOLTAJRBREBOM-YOEHRIQHSA-N 1 1 356.488 1.409 20 70 FDIDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000159420684 524665749 /nfs/dbraw/zinc/66/57/49/524665749.db2.gz ONWKCJVWAVEQHL-ZDUSSCGKSA-N 1 1 358.442 1.214 20 70 FDIDMO Cc1cccn2c(C[N@H+]3CCCC[C@@H]3CCNS(C)(=O)=O)cnc12 ZINC000159428656 524667987 /nfs/dbraw/zinc/66/79/87/524667987.db2.gz ZIHUYSPVBJDZDD-OAHLLOKOSA-N 1 1 350.488 1.937 20 70 FDIDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)C1 ZINC000159444666 524672782 /nfs/dbraw/zinc/67/27/82/524672782.db2.gz ZDUSQPYVADNYCR-HNNXBMFYSA-N 1 1 374.485 1.421 20 70 FDIDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000159467915 524677461 /nfs/dbraw/zinc/67/74/61/524677461.db2.gz LODJVERXOTXFSA-HNNXBMFYSA-N 1 1 357.495 1.786 20 70 FDIDMO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000159467915 524677470 /nfs/dbraw/zinc/67/74/70/524677470.db2.gz LODJVERXOTXFSA-HNNXBMFYSA-N 1 1 357.495 1.786 20 70 FDIDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cccc3[nH]c(=O)oc32)cc1 ZINC000159565328 524697749 /nfs/dbraw/zinc/69/77/49/524697749.db2.gz DRZNFPQYNKBECV-UHFFFAOYSA-N 1 1 354.366 1.874 20 70 FDIDMO C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159628520 524709858 /nfs/dbraw/zinc/70/98/58/524709858.db2.gz NBARAURMJCUAFO-HOJAQTOUSA-N 1 1 359.514 1.985 20 70 FDIDMO O=C(NC[C@@H]1CCCS1(=O)=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159642664 524713571 /nfs/dbraw/zinc/71/35/71/524713571.db2.gz QESAIKQPESOLPY-DLBZAZTESA-N 1 1 365.499 1.700 20 70 FDIDMO COCc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000159680116 524718267 /nfs/dbraw/zinc/71/82/67/524718267.db2.gz BUNVWZXGVUFJNW-QGZVFWFLSA-N 1 1 360.458 1.603 20 70 FDIDMO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159681837 524721146 /nfs/dbraw/zinc/72/11/46/524721146.db2.gz YJTPCJDYVSWBKG-NHYWBVRUSA-N 1 1 355.385 1.112 20 70 FDIDMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000159729401 524729819 /nfs/dbraw/zinc/72/98/19/524729819.db2.gz WJZACNKFXAJKPV-NHYWBVRUSA-N 1 1 353.850 1.860 20 70 FDIDMO C[C@@H]1CC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000159794445 524739333 /nfs/dbraw/zinc/73/93/33/524739333.db2.gz VFLNVHWQQZDGLE-IIAWOOMASA-N 1 1 354.495 1.184 20 70 FDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000159796874 524741345 /nfs/dbraw/zinc/74/13/45/524741345.db2.gz WTMUMVPQDZGBQL-UHFFFAOYSA-N 1 1 374.485 1.647 20 70 FDIDMO C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)N(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000159876806 524757037 /nfs/dbraw/zinc/75/70/37/524757037.db2.gz FNMRXPZYMQZNJJ-FUHWJXTLSA-N 1 1 373.501 1.658 20 70 FDIDMO O=C1[C@H]([NH+]2CCC(Nc3cccnn3)CC2)CCCN1CC(F)(F)F ZINC000159891534 524762752 /nfs/dbraw/zinc/76/27/52/524762752.db2.gz AAMNGWINUFIHJH-CYBMUJFWSA-N 1 1 357.380 1.906 20 70 FDIDMO CCOCC[N@H+]1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)C[C@H]1CC ZINC000159930787 524771520 /nfs/dbraw/zinc/77/15/20/524771520.db2.gz ISXXBVJVQFLDSM-HUUCEWRRSA-N 1 1 365.440 1.972 20 70 FDIDMO Cc1nn(C)cc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000159971528 524778729 /nfs/dbraw/zinc/77/87/29/524778729.db2.gz KBMCWQOBDXMYJM-UHFFFAOYSA-N 1 1 370.500 1.101 20 70 FDIDMO C[C@H](OC[C@H]1CCCCO1)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159989138 524783072 /nfs/dbraw/zinc/78/30/72/524783072.db2.gz SURIJPDIKIVOPV-DLBZAZTESA-N 1 1 356.507 1.777 20 70 FDIDMO CN(C)CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000160014233 524788488 /nfs/dbraw/zinc/78/84/88/524788488.db2.gz HIKYMURNASLWBS-QGZVFWFLSA-N 1 1 366.531 1.857 20 70 FDIDMO COCCN(C)S(=O)(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000160012491 524789880 /nfs/dbraw/zinc/78/98/80/524789880.db2.gz OONCQGYRSMLMSS-WMZOPIPTSA-N 1 1 369.531 1.794 20 70 FDIDMO COCC[NH+]1CCN(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1 ZINC000160036539 524794920 /nfs/dbraw/zinc/79/49/20/524794920.db2.gz AAUSHBZJDXPYMZ-UHFFFAOYSA-N 1 1 359.430 1.253 20 70 FDIDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000160067252 524801551 /nfs/dbraw/zinc/80/15/51/524801551.db2.gz STGKRHTUZSPTBI-KBPBESRZSA-N 1 1 371.528 1.502 20 70 FDIDMO C[NH+]1CCN(CCCCNC(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000160069843 524801648 /nfs/dbraw/zinc/80/16/48/524801648.db2.gz HMVKXJHFIGWDMS-UHFFFAOYSA-N 1 1 351.520 1.847 20 70 FDIDMO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000160296422 524851954 /nfs/dbraw/zinc/85/19/54/524851954.db2.gz SZNCNKSLJVTZHE-CQSZACIVSA-N 1 1 374.528 1.489 20 70 FDIDMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000160296422 524851963 /nfs/dbraw/zinc/85/19/63/524851963.db2.gz SZNCNKSLJVTZHE-CQSZACIVSA-N 1 1 374.528 1.489 20 70 FDIDMO C[C@@H](Oc1cccc(CO)c1)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000160423842 524884835 /nfs/dbraw/zinc/88/48/35/524884835.db2.gz VNXVQEDTPQUDJZ-MRXNPFEDSA-N 1 1 363.502 1.336 20 70 FDIDMO COC(=O)Cn1cc(CC[N@@H+](C)Cc2cc(Cl)ccc2OC)nn1 ZINC000160463029 524896213 /nfs/dbraw/zinc/89/62/13/524896213.db2.gz MIGFANIDCPCXOQ-UHFFFAOYSA-N 1 1 352.822 1.788 20 70 FDIDMO CCS(=O)(=O)NCc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000160578317 524921524 /nfs/dbraw/zinc/92/15/24/524921524.db2.gz GBLLGNKARCXBRT-OAHLLOKOSA-N 1 1 367.515 1.730 20 70 FDIDMO O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160673395 524945448 /nfs/dbraw/zinc/94/54/48/524945448.db2.gz GSAAKTMOYKSTGO-SJORKVTESA-N 1 1 356.470 1.855 20 70 FDIDMO Cc1c(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cnn1-c1ccccc1 ZINC000160691141 524950084 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FDIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160428119 524887034 /nfs/dbraw/zinc/88/70/34/524887034.db2.gz FSICYGAOTILAMP-QAPCUYQASA-N 1 1 351.516 1.901 20 70 FDIDMO CC(C)N(C[C@@H](C)O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000160441583 524890186 /nfs/dbraw/zinc/89/01/86/524890186.db2.gz LJMDDYRPULCQDP-ZWKOTPCHSA-N 1 1 362.518 1.998 20 70 FDIDMO CCC[C@H]1CN(C(=O)NCc2nnc3n2CCCC3)CC[N@H+]1CCOC ZINC000160597599 524924558 /nfs/dbraw/zinc/92/45/58/524924558.db2.gz APZQCOFKOANSDX-HNNXBMFYSA-N 1 1 364.494 1.257 20 70 FDIDMO Cc1c(/C=C/C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cnn1C ZINC000160957804 525003374 /nfs/dbraw/zinc/00/33/74/525003374.db2.gz KXEOGKQBEIAFAB-RMKNXTFCSA-N 1 1 367.453 1.768 20 70 FDIDMO COc1cc([C@H](C)[NH2+]CC(=O)NC(C)C)ccc1S(=O)(=O)C(F)F ZINC000160965000 525003983 /nfs/dbraw/zinc/00/39/83/525003983.db2.gz AUNOYRQYASCKNR-JTQLQIEISA-N 1 1 364.414 1.867 20 70 FDIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C ZINC000161245696 525063609 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FDIDMO CC(C)C[C@@H](CNC(=O)CCNC(=O)C1CCCCC1)[NH+]1CCOCC1 ZINC000159413736 524663773 /nfs/dbraw/zinc/66/37/73/524663773.db2.gz QWOFBYOGOFCZBE-SFHVURJKSA-N 1 1 367.534 1.936 20 70 FDIDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)C1 ZINC000159458480 524674768 /nfs/dbraw/zinc/67/47/68/524674768.db2.gz FMPSMJTXQBKNCA-MRXNPFEDSA-N 1 1 369.469 1.905 20 70 FDIDMO CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)o1 ZINC000159453682 524675116 /nfs/dbraw/zinc/67/51/16/524675116.db2.gz PCINVZSRZGQYJU-CYBMUJFWSA-N 1 1 358.460 1.750 20 70 FDIDMO CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)o1 ZINC000159453682 524675124 /nfs/dbraw/zinc/67/51/24/524675124.db2.gz PCINVZSRZGQYJU-CYBMUJFWSA-N 1 1 358.460 1.750 20 70 FDIDMO C[N@@H+](CCNC(=O)N1CCC[C@H]1C(=O)NC1CC1)Cc1ccc(F)cc1 ZINC000159491602 524683016 /nfs/dbraw/zinc/68/30/16/524683016.db2.gz XONIDUCAQCVFBE-KRWDZBQOSA-N 1 1 362.449 1.710 20 70 FDIDMO C[C@@H](Oc1cccc(CO)c1)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159540481 524692694 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