smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccccc1OC ZINC000032777015 519177787 /nfs/dbraw/zinc/17/77/87/519177787.db2.gz UNXVZEOOQGHPGW-UHFFFAOYSA-N 1 0 415.563 3.232 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccco1 ZINC000102528596 520598019 /nfs/dbraw/zinc/59/80/19/520598019.db2.gz UBJPRWVFYSYAFF-YDJIHCHBSA-N 1 0 412.486 3.442 50 30 HGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(O)cc1 ZINC000024192958 521755590 /nfs/dbraw/zinc/75/55/90/521755590.db2.gz ORNRTPBXCLXZIK-HXUWFJFHSA-N 1 0 406.438 3.278 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)o2)cc1Cl ZINC000020281410 523558143 /nfs/dbraw/zinc/55/81/43/523558143.db2.gz MJWWQNWHIBPYME-GOSISDBHSA-N 1 0 418.877 3.390 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccncc1 ZINC000013691941 524054829 /nfs/dbraw/zinc/05/48/29/524054829.db2.gz WYVRURKVNDGMJY-HXUWFJFHSA-N 1 0 404.470 3.093 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000000922170 557119520 /nfs/dbraw/zinc/11/95/20/557119520.db2.gz VPVGJIIWVPGIPO-HXUWFJFHSA-N 1 0 412.461 3.283 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000019928143 558308566 /nfs/dbraw/zinc/30/85/66/558308566.db2.gz STQYUKJXWMPITA-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020057686 558329034 /nfs/dbraw/zinc/32/90/34/558329034.db2.gz KQMKOOVXPOTFPG-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020229206 558349869 /nfs/dbraw/zinc/34/98/69/558349869.db2.gz QVBBYZXVQNJNCI-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020230457 558350182 /nfs/dbraw/zinc/35/01/82/558350182.db2.gz SISCMRJTOSCCCS-NRFANRHFSA-N 1 0 406.482 3.391 50 30 HGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020264776 558352398 /nfs/dbraw/zinc/35/23/98/558352398.db2.gz XPELIZIFTLZBHY-HXUWFJFHSA-N 1 0 410.470 3.374 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000020441141 558363390 /nfs/dbraw/zinc/36/33/90/558363390.db2.gz OAJWXZKHBYSJSS-VBKZILBWSA-N 1 0 410.470 3.051 50 30 HGEARO N#Cc1c2c(c(N3CCOCC3)nc1N1CCCCC1)C[N@H+](C1CCCCC1)CC2 ZINC000013510304 558835170 /nfs/dbraw/zinc/83/51/70/558835170.db2.gz USTWWTVTEQRMQG-UHFFFAOYSA-N 1 0 409.578 3.471 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1 ZINC000013719371 558859353 /nfs/dbraw/zinc/85/93/53/558859353.db2.gz LJYDVBYPBDFQEN-HXUWFJFHSA-N 1 0 404.470 3.093 50 30 HGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000013724750 558860309 /nfs/dbraw/zinc/86/03/09/558860309.db2.gz ALWKFNFLXLNWTP-OAQYLSRUSA-N 1 0 424.545 3.300 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000005408694 560583767 /nfs/dbraw/zinc/58/37/67/560583767.db2.gz UZCOARYBSKOFJR-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005576923 560624742 /nfs/dbraw/zinc/62/47/42/560624742.db2.gz WDQTYNPGBMZAGY-WOOAAIBNSA-N 1 0 414.889 3.332 50 30 HGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000102737012 560824506 /nfs/dbraw/zinc/82/45/06/560824506.db2.gz CAVQMLBRGZRQSX-SELCWUDQSA-N 1 0 416.909 3.053 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)cc1Cl ZINC000102879944 560833700 /nfs/dbraw/zinc/83/37/00/560833700.db2.gz PXDUVJPJNYNFSP-SELCWUDQSA-N 1 0 418.877 3.315 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccn1 ZINC000020228849 568595202 /nfs/dbraw/zinc/59/52/02/568595202.db2.gz FXNNKXXUBFYPNW-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1Cl ZINC000020227989 568595204 /nfs/dbraw/zinc/59/52/04/568595204.db2.gz KIUBVLHCGNCHHZ-QGZVFWFLSA-N 1 0 404.850 3.082 50 30 HGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020357538 568600257 /nfs/dbraw/zinc/60/02/57/568600257.db2.gz LPJXHGNMKDIQPI-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(OC)cc1 ZINC000020502113 568619586 /nfs/dbraw/zinc/61/95/86/568619586.db2.gz HJOYYNBTIPKYTC-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccn1 ZINC000005799407 568734750 /nfs/dbraw/zinc/73/47/50/568734750.db2.gz FBXCUGFWKWTUHT-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO CC(C)OC(=O)c1c(NC(=O)C[n+]2ccc(N(C)C)cc2)sc2c1CC[C@H](C)C2 ZINC000003451919 568905761 /nfs/dbraw/zinc/90/57/61/568905761.db2.gz DMXULHMGLNKYGE-HNNXBMFYSA-O 1 0 416.567 3.430 50 30 HGEARO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCC1)C[C@H](O)COc1cccc2ccccc21 ZINC000058305338 568910365 /nfs/dbraw/zinc/91/03/65/568910365.db2.gz AMZOWANMOIEXIT-FQEVSTJZSA-N 1 0 409.530 3.242 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)s1 ZINC000004312426 568961035 /nfs/dbraw/zinc/96/10/35/568961035.db2.gz DDPZDPCSJLQDQT-QGZVFWFLSA-N 1 0 417.506 3.429 50 30 HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006294698 569038222 /nfs/dbraw/zinc/03/82/22/569038222.db2.gz OEPPGWXBVHIKDE-MRJHHRETSA-N 1 0 421.497 3.020 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000006621788 569074929 /nfs/dbraw/zinc/07/49/29/569074929.db2.gz DUHWSQDJRQJEPU-JBCNATCCSA-N 1 0 421.497 3.020 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)s1 ZINC000006813208 569136755 /nfs/dbraw/zinc/13/67/55/569136755.db2.gz JJRFCWBXNLVLHY-GHNGSUTGSA-N 1 0 413.543 3.442 50 30 HGEARO CC(C)(C)[NH2+]C[C@@H](O)CON=C(c1ccccc1)c1cncc(Br)c1 ZINC000252591877 569295610 /nfs/dbraw/zinc/29/56/10/569295610.db2.gz BCNSREKITFJTFD-QGZVFWFLSA-N 1 0 406.324 3.362 50 30 HGEARO CN1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000253415687 569367198 /nfs/dbraw/zinc/36/71/98/569367198.db2.gz DXJIPLBMCOOURS-FXAWDEMLSA-N 1 0 404.848 3.463 50 30 HGEARO N#Cc1c2c(c(N3CCCCC3)nc1N1CCOCC1)C[N@H+](C1CCCCC1)CC2 ZINC000013116311 569409376 /nfs/dbraw/zinc/40/93/76/569409376.db2.gz LMHRUVOWZDZKLT-UHFFFAOYSA-N 1 0 409.578 3.471 50 30 HGEARO C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OC ZINC000032470891 519012939 /nfs/dbraw/zinc/01/29/39/519012939.db2.gz JIZZEBSAQHTUKH-NTUHNPAUSA-N 1 0 423.513 3.203 50 30 HGEARO S[C@@H](COCc1ccccc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022146853 526388636 /nfs/dbraw/zinc/38/86/36/526388636.db2.gz CTCIGFHMLGKYCR-HXUWFJFHSA-N 1 0 400.544 3.048 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000008997021 557818327 /nfs/dbraw/zinc/81/83/27/557818327.db2.gz PXJUJEWNBJYSNI-HXUWFJFHSA-N 1 0 409.486 3.009 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccncc1 ZINC000019929483 558309537 /nfs/dbraw/zinc/30/95/37/558309537.db2.gz DSYJIBCOAPZTJL-NRFANRHFSA-N 1 0 423.513 3.319 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000020029659 558323862 /nfs/dbraw/zinc/32/38/62/558323862.db2.gz GNQUVDQWVHPFOY-NRFANRHFSA-N 1 0 408.498 3.452 50 30 HGEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000013004457 558501593 /nfs/dbraw/zinc/50/15/93/558501593.db2.gz HAEYGEXETKEKHY-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000013127218 558518835 /nfs/dbraw/zinc/51/88/35/558518835.db2.gz YAFIUYBQXMHLKW-OAQYLSRUSA-N 1 0 423.513 3.256 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)cc1 ZINC000013570466 558542039 /nfs/dbraw/zinc/54/20/39/558542039.db2.gz BRCBWIMGDGSNJU-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccc2c(c1)OCCO2 ZINC000013786186 558593348 /nfs/dbraw/zinc/59/33/48/558593348.db2.gz WJRUTGQNVCKCEQ-UHFFFAOYSA-O 1 0 410.881 3.452 50 30 HGEARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)C1=CC(=O)CC(C)(C)O1 ZINC000015079500 558718326 /nfs/dbraw/zinc/71/83/26/558718326.db2.gz YHWNGSHYIIXCRC-GOSISDBHSA-N 1 0 402.510 3.191 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000017180095 558824922 /nfs/dbraw/zinc/82/49/22/558824922.db2.gz QJCXFMDBDYOGAF-FQEVSTJZSA-N 1 0 409.486 3.009 50 30 HGEARO Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000017196373 558825381 /nfs/dbraw/zinc/82/53/81/558825381.db2.gz TWOGFEZVVKEUDZ-UHFFFAOYSA-N 1 0 423.498 3.200 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013570663 558844386 /nfs/dbraw/zinc/84/43/86/558844386.db2.gz BJIMUHVQAXALFM-IBGZPJMESA-N 1 0 414.889 3.489 50 30 HGEARO CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NCCC2=C[NH2+][C@H]3C=CC=C[C@H]23)C1=O ZINC000100853457 559141301 /nfs/dbraw/zinc/14/13/01/559141301.db2.gz YYNHUHDXGKLILK-DKALKVKCSA-N 1 0 416.477 3.452 50 30 HGEARO CCOc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2ccc(C)cc2)cc1 ZINC000005006334 559227362 /nfs/dbraw/zinc/22/73/62/559227362.db2.gz SOQZVXISQAAWCH-HSZRJFAPSA-O 1 0 402.474 3.408 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c1 ZINC000102861661 560832101 /nfs/dbraw/zinc/83/21/01/560832101.db2.gz ZNZZXTXRBLFCAI-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1C ZINC000102862954 560832347 /nfs/dbraw/zinc/83/23/47/560832347.db2.gz IVDBCFIYIQKXAO-MRJHHRETSA-N 1 0 408.498 3.377 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)s1 ZINC000102933250 560835603 /nfs/dbraw/zinc/83/56/03/560835603.db2.gz SKSZNLZTIQTTMG-IDTYTIONSA-N 1 0 405.545 3.195 50 30 HGEARO C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984642 560859182 /nfs/dbraw/zinc/85/91/82/560859182.db2.gz NBQITXLQAONDQJ-FGZHOGPDSA-N 1 0 412.917 3.346 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020111357 568588814 /nfs/dbraw/zinc/58/88/14/568588814.db2.gz GYITWWJGOHLJSX-WCQONYCWSA-N 1 0 424.585 3.331 50 30 biogenic HGEARO COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)cn1 ZINC000096309795 568673957 /nfs/dbraw/zinc/67/39/57/568673957.db2.gz LAHBSYGCYBNNSM-HSZRJFAPSA-N 1 0 420.517 3.339 50 30 biogenic HGEARO O=S(=O)(c1cccs1)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096310045 568724241 /nfs/dbraw/zinc/72/42/41/568724241.db2.gz TWTPGKSQGPHZGA-LJQANCHMSA-N 1 0 417.560 3.155 50 30 biogenic HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005444308 568907071 /nfs/dbraw/zinc/90/70/71/568907071.db2.gz MYFNAKMYUYUALB-YDJIHCHBSA-N 1 0 423.469 3.358 50 30 HGEARO C=C(Cl)COc1nc2cc(OC)c(OC)cc2cc1C[NH2+][C@@H](CC(C)C)C(N)=O ZINC000059314256 568931175 /nfs/dbraw/zinc/93/11/75/568931175.db2.gz FCRVKIZBLTUZJM-KRWDZBQOSA-N 1 0 421.925 3.373 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000006160940 569015911 /nfs/dbraw/zinc/01/59/11/569015911.db2.gz LFFUSSRDWUKBPT-MVQGBCMBSA-N 1 0 424.497 3.285 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)o1 ZINC000006785146 569121573 /nfs/dbraw/zinc/12/15/73/569121573.db2.gz MWXOCGLWOZJAJQ-YDJIHCHBSA-N 1 0 412.486 3.360 50 30 HGEARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC000082058981 569403344 /nfs/dbraw/zinc/40/33/44/569403344.db2.gz QZIOMZYHPRNXOS-UHFFFAOYSA-N 1 0 402.451 3.188 50 30 HGEARO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000225519972 569405579 /nfs/dbraw/zinc/40/55/79/569405579.db2.gz XDDDSUSLMDGNRB-HBMCJLEFSA-N 1 0 407.518 3.088 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000008905085 571145753 /nfs/dbraw/zinc/14/57/53/571145753.db2.gz SVSZRGSROVWWPL-JBCNATCCSA-N 1 0 424.472 3.374 50 30 HGEARO C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)N(C)C3CC[NH+](C)CC3)c(C)c12 ZINC000009531950 571267065 /nfs/dbraw/zinc/26/70/65/571267065.db2.gz ULJBRBXYKKVNAX-UHFFFAOYSA-N 1 0 412.530 3.460 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000032777076 519175590 /nfs/dbraw/zinc/17/55/90/519175590.db2.gz DLMXZMAIZMFQHZ-QZTJIDSGSA-N 1 0 405.612 3.280 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@H](C)c1ccco1 ZINC000032777123 519175825 /nfs/dbraw/zinc/17/58/25/519175825.db2.gz VIMHFJLTATXKCK-MRXNPFEDSA-N 1 0 403.552 3.055 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000102513883 520318660 /nfs/dbraw/zinc/31/86/60/520318660.db2.gz NDXRRWUGLMNXGO-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020057755 524170197 /nfs/dbraw/zinc/17/01/97/524170197.db2.gz BMBDYVMZOZAUHG-FQEVSTJZSA-N 1 0 412.461 3.364 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000018061107 525218560 /nfs/dbraw/zinc/21/85/60/525218560.db2.gz HIJHKAGKOMPAQJ-LJQANCHMSA-N 1 0 414.889 3.489 50 30 HGEARO COc1ccc(CC(=[NH2+])NOC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000005092609 557634909 /nfs/dbraw/zinc/63/49/09/557634909.db2.gz NBXRCXHVYYZJML-UHFFFAOYSA-N 1 0 407.264 3.203 50 30 HGEARO CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCC[NH+](C)C ZINC000009504901 557844675 /nfs/dbraw/zinc/84/46/75/557844675.db2.gz KBCUNNTURYIRAU-IBGZPJMESA-N 1 0 412.578 3.408 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1 ZINC000019929489 558309551 /nfs/dbraw/zinc/30/95/51/558309551.db2.gz HEUZECMPWPPWEI-NRFANRHFSA-N 1 0 423.513 3.319 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000019939178 558313187 /nfs/dbraw/zinc/31/31/87/558313187.db2.gz WUQOHPHWAZFJCE-IBGZPJMESA-N 1 0 414.889 3.489 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 ZINC000020150090 558340535 /nfs/dbraw/zinc/34/05/35/558340535.db2.gz MYWXXENQVMWZFE-HXUWFJFHSA-N 1 0 405.454 3.358 50 30 HGEARO COc1ccc(-c2c[n+](CC(=O)Nc3cc(OC)ccc3OC)c3n2CCC3)cc1 ZINC000013768927 558591436 /nfs/dbraw/zinc/59/14/36/558591436.db2.gz RLNRUPQMLHYJTB-UHFFFAOYSA-O 1 0 408.478 3.053 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccn2)cc1 ZINC000017112736 558822777 /nfs/dbraw/zinc/82/27/77/558822777.db2.gz MPNUFQPWRCQRCK-HXUWFJFHSA-N 1 0 409.486 3.009 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2OC)cc1C ZINC000017124237 558823330 /nfs/dbraw/zinc/82/33/30/558823330.db2.gz WEHOXPUKKQOCMM-OAQYLSRUSA-N 1 0 424.497 3.152 50 30 HGEARO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3cc(OC)c(OC)cc3OC)C2)n1C ZINC000299766829 558841647 /nfs/dbraw/zinc/84/16/47/558841647.db2.gz SITURGQVSLAHAE-HNNXBMFYSA-N 1 0 418.563 3.499 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 ZINC000013548834 558842980 /nfs/dbraw/zinc/84/29/80/558842980.db2.gz QDRUVLIYRCXEDA-FQEVSTJZSA-N 1 0 405.454 3.358 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccncc1 ZINC000013691940 558855893 /nfs/dbraw/zinc/85/58/93/558855893.db2.gz WYVRURKVNDGMJY-FQEVSTJZSA-N 1 0 404.470 3.093 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)c2ccccc21 ZINC000013719126 558859408 /nfs/dbraw/zinc/85/94/08/558859408.db2.gz IYGPXVUMLXFMAK-NRFANRHFSA-N 1 0 418.497 3.103 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)o1 ZINC000005488593 560597642 /nfs/dbraw/zinc/59/76/42/560597642.db2.gz XEONTLQESITASS-LFVOPCPISA-N 1 0 400.450 3.491 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000005595808 560628440 /nfs/dbraw/zinc/62/84/40/560628440.db2.gz ZLEYTPTVCILWQX-MRJHHRETSA-N 1 0 408.498 3.377 50 30 HGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000101313403 560791501 /nfs/dbraw/zinc/79/15/01/560791501.db2.gz KRPGDJGEQLAZSR-JBCNATCCSA-N 1 0 424.472 3.374 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)s1 ZINC000102494231 560812308 /nfs/dbraw/zinc/81/23/08/560812308.db2.gz BSDHRHOZMHSOKD-UYTDBDHRSA-N 1 0 419.934 3.397 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)s1 ZINC000102498544 560812548 /nfs/dbraw/zinc/81/25/48/560812548.db2.gz SJKDVKDGXBUQBH-GROYHEBESA-N 1 0 417.506 3.272 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1 ZINC000102872565 560830142 /nfs/dbraw/zinc/83/01/42/560830142.db2.gz ATCASNJNRNGUMU-WOOAAIBNSA-N 1 0 413.905 3.499 50 30 HGEARO CCCCCCCCC(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000102995911 560836275 /nfs/dbraw/zinc/83/62/75/560836275.db2.gz PRTCGVRUZMTSMU-UHFFFAOYSA-N 1 0 421.626 3.299 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccnc1 ZINC000020171077 568592265 /nfs/dbraw/zinc/59/22/65/568592265.db2.gz IQQDSZYUJJLESI-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000020229968 568595206 /nfs/dbraw/zinc/59/52/06/568595206.db2.gz IRIZLRHSBXIREG-LJQANCHMSA-N 1 0 414.889 3.489 50 30 HGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(C)cc1 ZINC000020358150 568600502 /nfs/dbraw/zinc/60/05/02/568600502.db2.gz IKOVHLOQFMOGGQ-OAQYLSRUSA-N 1 0 418.497 3.091 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020358812 568600767 /nfs/dbraw/zinc/60/07/67/568600767.db2.gz RLIQJNKNFGERGU-OAQYLSRUSA-N 1 0 421.497 3.176 50 30 HGEARO CCC[C@@H]1CC(=O)O[C@@]1(C)C(=O)C[n+]1cc(Br)cc(Br)c1 ZINC000012391598 568696126 /nfs/dbraw/zinc/69/61/26/568696126.db2.gz UMEARLHRZVIJDS-MEBBXXQBSA-N 1 0 420.121 3.190 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccn1 ZINC000005799391 568734720 /nfs/dbraw/zinc/73/47/20/568734720.db2.gz FBXCUGFWKWTUHT-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccncc1 ZINC000005799422 568735091 /nfs/dbraw/zinc/73/50/91/568735091.db2.gz MNSAJYOVKWOIFA-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c1 ZINC000005799835 568735266 /nfs/dbraw/zinc/73/52/66/568735266.db2.gz BFAQWHMALXTPMD-NHFXJNLRSA-N 1 0 412.461 3.208 50 30 HGEARO C=CCOc1ccccc1C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(C)=O)n2CC1 ZINC000011783817 568992192 /nfs/dbraw/zinc/99/21/92/568992192.db2.gz JZDPBWRAGOUJGS-HXUWFJFHSA-N 1 0 411.550 3.125 50 30 HGEARO CC(C)(O)C#Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCc3ccco3)CC2)cc1 ZINC000011995892 568992673 /nfs/dbraw/zinc/99/26/73/568992673.db2.gz OKBODQRGDVHRAB-QFIPXVFZSA-N 1 0 406.526 3.321 50 30 HGEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccncc1)C2 ZINC000014543306 569003032 /nfs/dbraw/zinc/00/30/32/569003032.db2.gz XUSGFTJAVMRQIG-HXUWFJFHSA-N 1 0 407.562 3.170 50 30 HGEARO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)CC1 ZINC000014976808 569003968 /nfs/dbraw/zinc/00/39/68/569003968.db2.gz RPQNLVSDSHTAGQ-LJQANCHMSA-N 1 0 409.534 3.004 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(F)c2)s1 ZINC000006812794 569136698 /nfs/dbraw/zinc/13/66/98/569136698.db2.gz BFRLBIDDZOTIIE-MRXNPFEDSA-N 1 0 403.479 3.039 50 30 HGEARO O=C1C[C@H](c2ccc(F)cc2)[C@@H](n2cncn2)C(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000252427780 569285204 /nfs/dbraw/zinc/28/52/04/569285204.db2.gz FXLNDTHFEDSOJP-BVYCBKJFSA-N 1 0 404.445 3.414 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](CN3CC[NH+](C4CCCCC4)CC3)C(=O)O[C@@H]1C2 ZINC000082053918 569403187 /nfs/dbraw/zinc/40/31/87/569403187.db2.gz SCGHGLMSEZUDQE-JWGCJKGUSA-N 1 0 416.606 3.464 50 30 biogenic HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000009110819 571222759 /nfs/dbraw/zinc/22/27/59/571222759.db2.gz XXEVJGSLNFNCQK-JBCNATCCSA-N 1 0 408.498 3.459 50 30 HGEARO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)Cc1cccs1 ZINC000035362706 518905665 /nfs/dbraw/zinc/90/56/65/518905665.db2.gz VIQMOAKVLWJCSQ-INIZCTEOSA-N 1 0 401.532 3.202 50 30 HGEARO CC(C)(O)C#Cc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)s1 ZINC000023374901 519330503 /nfs/dbraw/zinc/33/05/03/519330503.db2.gz LFXZERMXTQVGBM-FQEVSTJZSA-N 1 0 404.620 3.319 50 30 HGEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(O)cc1 ZINC000024192957 521753961 /nfs/dbraw/zinc/75/39/61/521753961.db2.gz ORNRTPBXCLXZIK-FQEVSTJZSA-N 1 0 406.438 3.278 50 30 HGEARO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045432844 527545797 /nfs/dbraw/zinc/54/57/97/527545797.db2.gz ASMNWGHXJDGTGT-UHFFFAOYSA-N 1 0 416.447 3.416 50 30 HGEARO COc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000005073289 557633960 /nfs/dbraw/zinc/63/39/60/557633960.db2.gz VPVSNSUOYVREHK-UHFFFAOYSA-N 1 0 413.655 3.354 50 30 HGEARO Cc1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000006795520 557721732 /nfs/dbraw/zinc/72/17/32/557721732.db2.gz ASXJZZVERVAHRT-UHFFFAOYSA-N 1 0 422.235 3.103 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1OC ZINC000004326540 558259180 /nfs/dbraw/zinc/25/91/80/558259180.db2.gz ZGEGXBPGQWGPFA-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020230117 558349763 /nfs/dbraw/zinc/34/97/63/558349763.db2.gz OEVYFYCRVISMSN-OAQYLSRUSA-N 1 0 406.482 3.391 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000020229902 558349801 /nfs/dbraw/zinc/34/98/01/558349801.db2.gz ASRIKPSTSVCHLI-NRFANRHFSA-N 1 0 406.482 3.391 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccn1 ZINC000020229952 558349849 /nfs/dbraw/zinc/34/98/49/558349849.db2.gz TZEWKILKXCMMSK-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO O=C1C[C@H](c2ccc(F)cc2)[C@H](n2cncn2)C(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000013571594 558844669 /nfs/dbraw/zinc/84/46/69/558844669.db2.gz FXLNDTHFEDSOJP-COPCDDAFSA-N 1 0 404.445 3.414 50 30 HGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc(Cl)c1 ZINC000013689885 558855309 /nfs/dbraw/zinc/85/53/09/558855309.db2.gz NLYONNHRUSYTJI-GOSISDBHSA-N 1 0 416.909 3.210 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1F ZINC000013689397 558855321 /nfs/dbraw/zinc/85/53/21/558855321.db2.gz IVYQMCJJFSODQT-GOSISDBHSA-N 1 0 418.490 3.426 50 30 HGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000013721959 558859015 /nfs/dbraw/zinc/85/90/15/558859015.db2.gz OXGZZECNTZXIDR-GOSISDBHSA-N 1 0 416.909 3.210 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013732577 558861130 /nfs/dbraw/zinc/86/11/30/558861130.db2.gz DEGSZDDTRIZZRD-NRFANRHFSA-N 1 0 419.481 3.316 50 30 HGEARO CCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2 ZINC000072267023 558932773 /nfs/dbraw/zinc/93/27/73/558932773.db2.gz FJZZPCZKBUKGGU-AUSIDOKSSA-N 1 0 404.551 3.432 50 30 fda HGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102482677 560811790 /nfs/dbraw/zinc/81/17/90/560811790.db2.gz FIPSOXDBDMSCHZ-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102532750 560813497 /nfs/dbraw/zinc/81/34/97/560813497.db2.gz ODKDWSGNSRAQRP-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000102557522 560817884 /nfs/dbraw/zinc/81/78/84/560817884.db2.gz BLFWUYVVOLIBHR-MRJHHRETSA-N 1 0 423.513 3.242 50 30 HGEARO C[N+]1(CC(=O)Nc2cccc(C(F)(F)F)c2)CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000003192251 560886527 /nfs/dbraw/zinc/88/65/27/560886527.db2.gz PPRAVZNFYCRFGD-BQYQJAHWSA-O 1 0 422.427 3.239 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006812953 568459598 /nfs/dbraw/zinc/45/95/98/568459598.db2.gz MQFPNHUAUJWYIV-FQEVSTJZSA-N 1 0 423.469 3.433 50 30 HGEARO COc1ccc(C)cc1NC(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000058107502 568886488 /nfs/dbraw/zinc/88/64/88/568886488.db2.gz QESVVLKQRILESX-UHFFFAOYSA-N 1 0 410.518 3.265 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000004088016 568941075 /nfs/dbraw/zinc/94/10/75/568941075.db2.gz PPRQNSMKNMTHHR-IRXCLELFSA-N 1 0 416.606 3.464 50 30 biogenic HGEARO C=CCn1c2cc3c(cc2cc(C[NH2+]C2CCN(C(=O)OCC)CC2)c1=O)CCC3 ZINC000012278852 568994377 /nfs/dbraw/zinc/99/43/77/568994377.db2.gz SITQOGCSPGHRBM-UHFFFAOYSA-N 1 0 409.530 3.387 50 30 HGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000020167043 569007942 /nfs/dbraw/zinc/00/79/42/569007942.db2.gz CNGGZDAJJXIPPE-OAQYLSRUSA-N 1 0 422.481 3.172 50 30 HGEARO C[NH+]1CCC(N2CCN(Cc3ccccc3C#Cc3ccccc3)C[C@H]2CCO)CC1 ZINC000104323311 569008376 /nfs/dbraw/zinc/00/83/76/569008376.db2.gz VXGDAGDHVYEYTP-HHHXNRCGSA-N 1 0 417.597 3.049 50 30 HGEARO CCC[C@H]1C[C@](C)(C(=O)C[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001827457 569056251 /nfs/dbraw/zinc/05/62/51/569056251.db2.gz CCCNVBSOVRUAME-ZUZCIYMTSA-N 1 0 420.121 3.190 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1 ZINC000006787066 569121909 /nfs/dbraw/zinc/12/19/09/569121909.db2.gz FHOJGSURKNCZMG-YDJIHCHBSA-N 1 0 405.454 3.201 50 30 HGEARO CC(C)(C)[NH2+]C[C@H](O)CON=C(c1ccccc1)c1cncc(Br)c1 ZINC000252591876 569295668 /nfs/dbraw/zinc/29/56/68/569295668.db2.gz BCNSREKITFJTFD-KRWDZBQOSA-N 1 0 406.324 3.362 50 30 HGEARO CN1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000253415690 569367141 /nfs/dbraw/zinc/36/71/41/569367141.db2.gz DXJIPLBMCOOURS-YLJYHZDGSA-N 1 0 404.848 3.463 50 30 HGEARO COc1ccc(C[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1OC ZINC000012661369 569402604 /nfs/dbraw/zinc/40/26/04/569402604.db2.gz KVOCPNUEOLEVNM-AGKVVVLISA-N 1 0 415.530 3.319 50 30 biogenic HGEARO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012787573 132367292 /nfs/dbraw/zinc/36/72/92/132367292.db2.gz CXNCBGJDSRSSTA-UHFFFAOYSA-N 1 0 403.408 3.123 50 30 HGEARO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C(=O)NC)N(Cc2cccc(Cl)c2)C1 ZINC000032558369 519073442 /nfs/dbraw/zinc/07/34/42/519073442.db2.gz GKAUDTHWDIYDNT-SFTDATJTSA-N 1 0 413.949 3.384 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000032777013 519176489 /nfs/dbraw/zinc/17/64/89/519176489.db2.gz IZWAJAULLGCABV-SFHVURJKSA-N 1 0 413.591 3.462 50 30 HGEARO O=C(Nc1ccccc1)[C@H]1c2cccc[n+]2CC(=O)N1c1ccc(Br)cc1 ZINC000013366986 527398967 /nfs/dbraw/zinc/39/89/67/527398967.db2.gz XYFGTGHUJKVJHF-HXUWFJFHSA-O 1 0 423.290 3.463 50 30 HGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccs3)ccc2O1 ZINC000019938493 558312842 /nfs/dbraw/zinc/31/28/42/558312842.db2.gz KRIHLUTWFKNWKV-ORAYPTAESA-N 1 0 412.511 3.211 50 30 HGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)c1 ZINC000019973848 558316879 /nfs/dbraw/zinc/31/68/79/558316879.db2.gz BWRVHWPTHAGLGS-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccnc1 ZINC000019973948 558317106 /nfs/dbraw/zinc/31/71/06/558317106.db2.gz BAQGLIJFVHBJBR-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccn1 ZINC000020029249 558323665 /nfs/dbraw/zinc/32/36/65/558323665.db2.gz YLHQWILBEFSBNQ-KRWDZBQOSA-N 1 0 414.531 3.075 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000020119936 558337073 /nfs/dbraw/zinc/33/70/73/558337073.db2.gz YYZXXLTZCRHFEF-HXUWFJFHSA-N 1 0 410.470 3.374 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccncc1 ZINC000020231089 558350116 /nfs/dbraw/zinc/35/01/16/558350116.db2.gz NJRQTJADQNZUBJ-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000004359346 558451020 /nfs/dbraw/zinc/45/10/20/558451020.db2.gz NEJWKWMEMVAPJO-UHFFFAOYSA-N 1 0 408.483 3.148 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000013161872 558524514 /nfs/dbraw/zinc/52/45/14/558524514.db2.gz YTZIMPIEEOJHSQ-NRFANRHFSA-N 1 0 424.497 3.321 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000013569523 558541661 /nfs/dbraw/zinc/54/16/61/558541661.db2.gz IUQPNTCQSWQCMM-SFHVURJKSA-N 1 0 400.500 3.287 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000013569525 558541771 /nfs/dbraw/zinc/54/17/71/558541771.db2.gz IUQPNTCQSWQCMM-GOSISDBHSA-N 1 0 400.500 3.287 50 30 HGEARO Cc1cc(Br)ccc1OCC(=O)ONC(=[NH2+])Cc1ccc([N+](=O)[O-])cc1 ZINC000016193240 558777389 /nfs/dbraw/zinc/77/73/89/558777389.db2.gz YMCGGDBNGROTKP-UHFFFAOYSA-N 1 0 422.235 3.103 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1C ZINC000017044730 558812771 /nfs/dbraw/zinc/81/27/71/558812771.db2.gz FENCDWRFWMCUMI-GOSISDBHSA-N 1 0 400.500 3.205 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017180867 558825099 /nfs/dbraw/zinc/82/50/99/558825099.db2.gz XOMRVGCPZAGBPJ-LJQANCHMSA-N 1 0 409.442 3.043 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000018143448 558832150 /nfs/dbraw/zinc/83/21/50/558832150.db2.gz YTZIMPIEEOJHSQ-OAQYLSRUSA-N 1 0 424.497 3.321 50 30 HGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccs1 ZINC000013719868 558859556 /nfs/dbraw/zinc/85/95/56/558859556.db2.gz XVUGKBDVJIWGNL-SFHVURJKSA-N 1 0 418.490 3.426 50 30 HGEARO COc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000004961960 559218010 /nfs/dbraw/zinc/21/80/10/559218010.db2.gz AIGOTOYLJLHDDB-HSZRJFAPSA-O 1 0 402.474 3.326 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000005408680 560583762 /nfs/dbraw/zinc/58/37/62/560583762.db2.gz FONVHHZIRQQHHQ-YDJIHCHBSA-N 1 0 412.461 3.208 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000005446305 560588353 /nfs/dbraw/zinc/58/83/53/560588353.db2.gz WXZDWRBTSKRPSP-MRJHHRETSA-N 1 0 408.498 3.295 50 30 HGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000102170282 560808288 /nfs/dbraw/zinc/80/82/88/560808288.db2.gz JCFJHUKJFCRKIP-JBCNATCCSA-N 1 0 423.513 3.100 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1Cl ZINC000102520512 560815930 /nfs/dbraw/zinc/81/59/30/560815930.db2.gz MDGGYDWLCJAAPA-GHNGSUTGSA-N 1 0 418.877 3.315 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102723227 560821562 /nfs/dbraw/zinc/82/15/62/560821562.db2.gz SUAWPBREOOHMTQ-GHNGSUTGSA-N 1 0 400.500 3.130 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)c(C)c1 ZINC000102876167 560832121 /nfs/dbraw/zinc/83/21/21/560832121.db2.gz TZASLSULUMOSKQ-JBCNATCCSA-N 1 0 408.498 3.377 50 30 HGEARO CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102879721 560833651 /nfs/dbraw/zinc/83/36/51/560833651.db2.gz GAWYBPJDGUBGAV-MRJHHRETSA-N 1 0 408.498 3.459 50 30 HGEARO CC[NH+](CC)CCNC(=O)c1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000044842587 560897620 /nfs/dbraw/zinc/89/76/20/560897620.db2.gz IUPPKCGFMCOCAA-VAWYXSNFSA-N 1 0 409.486 3.295 50 30 HGEARO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000051532222 568460480 /nfs/dbraw/zinc/46/04/80/568460480.db2.gz XZODFPCZRIINOW-HXUWFJFHSA-N 1 0 410.470 3.117 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1Cl ZINC000020227991 568595157 /nfs/dbraw/zinc/59/51/57/568595157.db2.gz KIUBVLHCGNCHHZ-KRWDZBQOSA-N 1 0 404.850 3.082 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c1 ZINC000005799810 568734998 /nfs/dbraw/zinc/73/49/98/568734998.db2.gz BFAQWHMALXTPMD-YDJIHCHBSA-N 1 0 412.461 3.208 50 30 HGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000005799846 568735331 /nfs/dbraw/zinc/73/53/31/568735331.db2.gz ODKDWSGNSRAQRP-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000006024635 568835530 /nfs/dbraw/zinc/83/55/30/568835530.db2.gz CTFDHMNFBAHRSC-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO CC(C)[C@@H]1C[C@@](C)(C(=O)C[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001827433 568838282 /nfs/dbraw/zinc/83/82/82/568838282.db2.gz AXLCCDIAYJJACT-WFASDCNBSA-N 1 0 420.121 3.046 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)s1 ZINC000018116026 569047204 /nfs/dbraw/zinc/04/72/04/569047204.db2.gz FOFWMAANUMCOKY-KRWDZBQOSA-N 1 0 417.506 3.429 50 30 HGEARO CC(C)[C@@H]1C[C@](C)(C(=O)C[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001827431 569056269 /nfs/dbraw/zinc/05/62/69/569056269.db2.gz AXLCCDIAYJJACT-SWLSCSKDSA-N 1 0 420.121 3.046 50 30 HGEARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 ZINC000006757670 569113344 /nfs/dbraw/zinc/11/33/44/569113344.db2.gz KTIGKKILPJAGSP-ZMOGYAJESA-N 1 0 405.506 3.198 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000006813299 569136852 /nfs/dbraw/zinc/13/68/52/569136852.db2.gz DDWXJCDFKKEVAG-IBOXJLQUSA-N 1 0 403.504 3.035 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)s1 ZINC000013161816 569410171 /nfs/dbraw/zinc/41/01/71/569410171.db2.gz AYSRBHSVVDUWEG-QGZVFWFLSA-N 1 0 417.506 3.429 50 30 HGEARO C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000245297728 571223601 /nfs/dbraw/zinc/22/36/01/571223601.db2.gz WQMGCNYUPXJMEE-CXSMSNRLSA-N 1 0 413.541 3.435 50 30 HGEARO C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000037558742 518902651 /nfs/dbraw/zinc/90/26/51/518902651.db2.gz VYLQCUITXWZHSC-UHFFFAOYSA-N 1 0 408.546 3.118 50 30 HGEARO C=CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1N(C)C)CC(C)C ZINC000036301635 518986386 /nfs/dbraw/zinc/98/63/86/518986386.db2.gz IQNRFCMPIUEKCX-FQEVSTJZSA-N 1 0 400.567 3.175 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000032777078 519175776 /nfs/dbraw/zinc/17/57/76/519175776.db2.gz DLMXZMAIZMFQHZ-ZWKOTPCHSA-N 1 0 405.612 3.280 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1Cl ZINC000102520520 520843933 /nfs/dbraw/zinc/84/39/33/520843933.db2.gz MDGGYDWLCJAAPA-SELCWUDQSA-N 1 0 418.877 3.315 50 30 HGEARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000032870718 521113399 /nfs/dbraw/zinc/11/33/99/521113399.db2.gz DHBFYWMOMOKCJU-LSDHHAIUSA-N 1 0 403.548 3.348 50 30 HGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020229204 524911080 /nfs/dbraw/zinc/91/10/80/524911080.db2.gz QVBBYZXVQNJNCI-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)cc1 ZINC000019928155 558308662 /nfs/dbraw/zinc/30/86/62/558308662.db2.gz IDXFERJWLGNKSK-HXUWFJFHSA-N 1 0 412.461 3.364 50 30 HGEARO CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)c1 ZINC000019973899 558316798 /nfs/dbraw/zinc/31/67/98/558316798.db2.gz VCXMGMUSWNPPNW-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000019999595 558317824 /nfs/dbraw/zinc/31/78/24/558317824.db2.gz HWNBEBPBXBGPFE-IBGZPJMESA-N 1 0 412.511 3.453 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c1 ZINC000020149896 558340270 /nfs/dbraw/zinc/34/02/70/558340270.db2.gz WJODJSJPSWQRHP-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1Cl ZINC000017179724 558824903 /nfs/dbraw/zinc/82/49/03/558824903.db2.gz MMCHPYSNWOKPAQ-SFHVURJKSA-N 1 0 418.877 3.472 50 30 HGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)n1 ZINC000013692636 558856060 /nfs/dbraw/zinc/85/60/60/558856060.db2.gz NFWOFRKOQDWQQT-NRFANRHFSA-N 1 0 422.529 3.357 50 30 HGEARO CCOc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004881853 559197096 /nfs/dbraw/zinc/19/70/96/559197096.db2.gz OOVNYBXLCZAJRS-QHCPKHFHSA-O 1 0 418.473 3.108 50 30 HGEARO COc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000004961959 559218007 /nfs/dbraw/zinc/21/80/07/559218007.db2.gz AIGOTOYLJLHDDB-QHCPKHFHSA-O 1 0 402.474 3.326 50 30 HGEARO COc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2ccccc2Cl)cc1 ZINC000005006564 559227530 /nfs/dbraw/zinc/22/75/30/559227530.db2.gz UFYDNWQQJDEGNT-OAQYLSRUSA-O 1 0 408.865 3.363 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000102522449 560816008 /nfs/dbraw/zinc/81/60/08/560816008.db2.gz XBXVQIVFYJNHNS-NHFXJNLRSA-N 1 0 412.461 3.126 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000102706264 560820664 /nfs/dbraw/zinc/82/06/64/560820664.db2.gz YHKCAJNMQJEOPH-YDJIHCHBSA-N 1 0 412.486 3.440 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccn1 ZINC000005799414 568734711 /nfs/dbraw/zinc/73/47/11/568734711.db2.gz ZQAIBOASDHQIJJ-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccncc1 ZINC000005799409 568734796 /nfs/dbraw/zinc/73/47/96/568734796.db2.gz YTUDRZXSSZWWRG-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO CCCC[C@@]1(C(=O)C[n+]2cc(Br)cc(Br)c2)CCC(=O)O1 ZINC000001809882 568836774 /nfs/dbraw/zinc/83/67/74/568836774.db2.gz PJCBYLZCZMADEJ-HNNXBMFYSA-N 1 0 420.121 3.334 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000013131068 568997671 /nfs/dbraw/zinc/99/76/71/568997671.db2.gz KDCMMDSMXDJZQG-LJQANCHMSA-N 1 0 414.889 3.489 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006812682 569136682 /nfs/dbraw/zinc/13/66/82/569136682.db2.gz KOIXPGCSJZUQFM-JBCNATCCSA-N 1 0 420.465 3.425 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000013127340 569211380 /nfs/dbraw/zinc/21/13/80/569211380.db2.gz DHLNBKKKNIOCFC-HXUWFJFHSA-N 1 0 422.485 3.074 50 30 HGEARO Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccnc1 ZINC000019929605 569281922 /nfs/dbraw/zinc/28/19/22/569281922.db2.gz XGOJYWJCPLXOME-OAQYLSRUSA-N 1 0 423.513 3.317 50 30 HGEARO COc1cc(CN2CCc3c(cnc(C)c3C#N)C2)ccc1OCC[NH+]1CCCC1 ZINC000055107729 569379401 /nfs/dbraw/zinc/37/94/01/569379401.db2.gz CCHRVFMTHZEODJ-UHFFFAOYSA-N 1 0 406.530 3.303 50 30 HGEARO O=C(Nc1ccc(Cl)cc1)[C@@H]1c2cccc[n+]2CC(=O)N1c1ccc2c(c1)OCO2 ZINC000013366957 569412386 /nfs/dbraw/zinc/41/23/86/569412386.db2.gz SWTXZXFLACTMKC-NRFANRHFSA-O 1 0 422.848 3.083 50 30 HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009067805 571218241 /nfs/dbraw/zinc/21/82/41/571218241.db2.gz ZAVDZSVJTPOYPP-MRJHHRETSA-N 1 0 424.472 3.374 50 30 HGEARO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C(=O)NC)N(Cc2ccccc2Cl)C1 ZINC000039552644 519072625 /nfs/dbraw/zinc/07/26/25/519072625.db2.gz NGLGBKQKSQKDHA-CTNGQTDRSA-N 1 0 413.949 3.384 50 30 HGEARO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCOc2ccc(OC)cc2)c(OC)c1 ZINC000024588211 519139526 /nfs/dbraw/zinc/13/95/26/519139526.db2.gz QTRGVJVIYZUYOX-LJQANCHMSA-N 1 0 401.503 3.183 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccncc1 ZINC000020231092 520602547 /nfs/dbraw/zinc/60/25/47/520602547.db2.gz NJRQTJADQNZUBJ-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2C)CC1 ZINC000024746222 521698030 /nfs/dbraw/zinc/69/80/30/521698030.db2.gz HWCDIGQPPSMYRT-UHFFFAOYSA-N 1 0 422.577 3.435 50 30 HGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102681705 525514528 /nfs/dbraw/zinc/51/45/28/525514528.db2.gz CMXLQCWLSHTVMJ-FEETXENISA-N 1 0 424.472 3.132 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019884509 558301895 /nfs/dbraw/zinc/30/18/95/558301895.db2.gz GJPZLWRSUGSUBD-LJQANCHMSA-N 1 0 409.442 3.125 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)cc1 ZINC000019928157 558308621 /nfs/dbraw/zinc/30/86/21/558308621.db2.gz IDXFERJWLGNKSK-FQEVSTJZSA-N 1 0 412.461 3.364 50 30 HGEARO CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020057181 558328647 /nfs/dbraw/zinc/32/86/47/558328647.db2.gz BGXNCYQOIXTORN-GOSISDBHSA-N 1 0 400.500 3.287 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000020357376 558357619 /nfs/dbraw/zinc/35/76/19/558357619.db2.gz LBNKRXDKBDGRMN-VFNWGFHPSA-N 1 0 424.497 3.441 50 30 HGEARO Cc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CC[NH+](C)CC3)c3ccccc23)cc1 ZINC000020533198 558384200 /nfs/dbraw/zinc/38/42/00/558384200.db2.gz NAYOOOHSQIKNBS-HRBBJJPOSA-N 1 0 417.553 3.454 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013548039 558538525 /nfs/dbraw/zinc/53/85/25/558538525.db2.gz MQFPNHUAUJWYIV-HXUWFJFHSA-N 1 0 423.469 3.433 50 30 HGEARO CCOC(=O)c1sc(N)c(C#N)c1CN1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000072305190 558757884 /nfs/dbraw/zinc/75/78/84/558757884.db2.gz IUFBFCXCBJDTAV-KVSKMBFKSA-N 1 0 410.543 3.113 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000017145465 558823855 /nfs/dbraw/zinc/82/38/55/558823855.db2.gz HQARFKLUEVTFLW-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000017145466 558823874 /nfs/dbraw/zinc/82/38/74/558823874.db2.gz HQARFKLUEVTFLW-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO CC[N@@H+]1CCC[C@@H]1CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000013687180 558855544 /nfs/dbraw/zinc/85/55/44/558855544.db2.gz VNLZJOYFADEAJJ-OAHLLOKOSA-N 1 0 402.951 3.460 50 30 HGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000013719864 558859594 /nfs/dbraw/zinc/85/95/94/558859594.db2.gz XVUGKBDVJIWGNL-GOSISDBHSA-N 1 0 418.490 3.426 50 30 HGEARO CCOc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2ccc(C)cc2)cc1 ZINC000005006333 559227342 /nfs/dbraw/zinc/22/73/42/559227342.db2.gz SOQZVXISQAAWCH-QHCPKHFHSA-O 1 0 402.474 3.408 50 30 HGEARO CCOc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2cccc(C)c2)cc1 ZINC000005006331 559227348 /nfs/dbraw/zinc/22/73/48/559227348.db2.gz XBGOHKAZUILLEM-QHCPKHFHSA-O 1 0 402.474 3.408 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccnc1 ZINC000005444310 560587981 /nfs/dbraw/zinc/58/79/81/560587981.db2.gz FXYFBUNXQHUBFJ-MRJHHRETSA-N 1 0 423.513 3.162 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000005564211 560615653 /nfs/dbraw/zinc/61/56/53/560615653.db2.gz UIXOYQAPCFKKEG-JBCNATCCSA-N 1 0 408.498 3.459 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1Cl ZINC000005576888 560624748 /nfs/dbraw/zinc/62/47/48/560624748.db2.gz BMBMKUVWTAKSBS-WOOAAIBNSA-N 1 0 414.889 3.332 50 30 HGEARO CC(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000101152712 560787070 /nfs/dbraw/zinc/78/70/70/560787070.db2.gz NTJMLOVAUAWNQE-WBILKINKSA-N 1 0 413.301 3.000 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccncc1 ZINC000102530497 560813258 /nfs/dbraw/zinc/81/32/58/560813258.db2.gz YOQQRDGEUCLNRF-JBCNATCCSA-N 1 0 423.513 3.162 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000102706889 560820658 /nfs/dbraw/zinc/82/06/58/560820658.db2.gz XHTATCQEHCKUDD-NHFXJNLRSA-N 1 0 424.497 3.077 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102720203 560823515 /nfs/dbraw/zinc/82/35/15/560823515.db2.gz XDICYHPDMDBYTE-WOOAAIBNSA-N 1 0 414.889 3.332 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 ZINC000102872562 560830147 /nfs/dbraw/zinc/83/01/47/560830147.db2.gz ATCASNJNRNGUMU-LFVOPCPISA-N 1 0 413.905 3.499 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1 ZINC000102862066 560832097 /nfs/dbraw/zinc/83/20/97/560832097.db2.gz NSOYCWPEFLZXRZ-MRJHHRETSA-N 1 0 424.497 3.040 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102878386 560833558 /nfs/dbraw/zinc/83/35/58/560833558.db2.gz HIRNIIDINWZAOS-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)cc1Cl ZINC000102879947 560833622 /nfs/dbraw/zinc/83/36/22/560833622.db2.gz PXDUVJPJNYNFSP-GHNGSUTGSA-N 1 0 418.877 3.315 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000020130410 568589690 /nfs/dbraw/zinc/58/96/90/568589690.db2.gz HTOFFMWLCWLMDS-OAQYLSRUSA-N 1 0 424.497 3.321 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)c1 ZINC000005799842 568735362 /nfs/dbraw/zinc/73/53/62/568735362.db2.gz BMCSVYFJOZCOPV-NHFXJNLRSA-N 1 0 412.461 3.208 50 30 HGEARO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000025686472 568908939 /nfs/dbraw/zinc/90/89/39/568908939.db2.gz HYGSRSFFVLOLQE-IBGZPJMESA-N 1 0 405.420 3.139 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000004088034 568941199 /nfs/dbraw/zinc/94/11/99/568941199.db2.gz PPRQNSMKNMTHHR-KAVBHCITSA-N 1 0 416.606 3.464 50 30 biogenic HGEARO O=S(=O)(NN=C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000004155219 568947132 /nfs/dbraw/zinc/94/71/32/568947132.db2.gz SQVLVUFERXBJGB-UHFFFAOYSA-N 1 0 422.348 3.379 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000059415316 568953313 /nfs/dbraw/zinc/95/33/13/568953313.db2.gz HZXWBBKUNZOOBZ-IRXCLELFSA-N 1 0 410.558 3.336 50 30 biogenic HGEARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)cc1OC ZINC000012586547 568995064 /nfs/dbraw/zinc/99/50/64/568995064.db2.gz SNROGGKIZSJWCO-QFIPXVFZSA-N 1 0 406.526 3.221 50 30 HGEARO CC(C)(O)C#Cc1ccc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)s1 ZINC000012594802 568995287 /nfs/dbraw/zinc/99/52/87/568995287.db2.gz WRWWTTZALOXIEQ-IBGZPJMESA-N 1 0 418.603 3.158 50 30 HGEARO COCCC[NH+]=C(Nc1cccc(C(=O)[O-])c1)N1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000065308257 569220166 /nfs/dbraw/zinc/22/01/66/569220166.db2.gz FYRPMXHWUZFCPW-SFHVURJKSA-N 1 0 404.555 3.051 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000008905088 571145783 /nfs/dbraw/zinc/14/57/83/571145783.db2.gz SVSZRGSROVWWPL-MRJHHRETSA-N 1 0 424.472 3.374 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1Cl ZINC000009007765 571210114 /nfs/dbraw/zinc/21/01/14/571210114.db2.gz LUXCJJDCUNLYBA-HVESIFNPSA-N 1 0 420.918 3.393 50 30 HGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccs1 ZINC000009271060 571244358 /nfs/dbraw/zinc/24/43/58/571244358.db2.gz NTEZRNYDLOSIKK-SFHVURJKSA-N 1 0 424.526 3.153 50 30 HGEARO C[N+]1(CC(=O)Nc2ccccc2Cl)CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000005677206 717101176 /nfs/dbraw/zinc/10/11/76/717101176.db2.gz ZNUOZLKAVIFJBN-DHZHZOJOSA-O 1 0 416.904 3.420 50 30 HGEARO C=CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677534 518727385 /nfs/dbraw/zinc/72/73/85/518727385.db2.gz ARHBIXFNNFPXHS-SFHVURJKSA-N 1 0 418.925 3.025 50 30 HGEARO CC(C)(O)C#Cc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)s1 ZINC000039551627 519330990 /nfs/dbraw/zinc/33/09/90/519330990.db2.gz LFXZERMXTQVGBM-HXUWFJFHSA-N 1 0 404.620 3.319 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000102717915 520318245 /nfs/dbraw/zinc/31/82/45/520318245.db2.gz HKLGJYCFCUYUNX-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000019925618 558307806 /nfs/dbraw/zinc/30/78/06/558307806.db2.gz SEOYYJKYOLMENR-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c1 ZINC000019973836 558316740 /nfs/dbraw/zinc/31/67/40/558316740.db2.gz YJQACAQLNHJYTC-GOSISDBHSA-N 1 0 400.500 3.287 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 ZINC000020150089 558340601 /nfs/dbraw/zinc/34/06/01/558340601.db2.gz MYWXXENQVMWZFE-FQEVSTJZSA-N 1 0 405.454 3.358 50 30 HGEARO COc1ccc([C@H]2CC(=O)C([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2n2cncn2)cc1 ZINC000013571561 558542181 /nfs/dbraw/zinc/54/21/81/558542181.db2.gz DSUPBOWGYAQECD-WTIAFYNJSA-N 1 0 416.481 3.284 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017145983 558823913 /nfs/dbraw/zinc/82/39/13/558823913.db2.gz PEKLZXPOPAPIRN-LJQANCHMSA-N 1 0 409.442 3.043 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 ZINC000005564206 560615646 /nfs/dbraw/zinc/61/56/46/560615646.db2.gz NAWCHYGPAKNFFV-LFVOPCPISA-N 1 0 413.905 3.499 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000005565254 560616050 /nfs/dbraw/zinc/61/60/50/560616050.db2.gz CYHRAGHBKCOFRE-MRJHHRETSA-N 1 0 408.498 3.377 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000005595836 560628542 /nfs/dbraw/zinc/62/85/42/560628542.db2.gz LPNDFGAAYNPOJH-YDJIHCHBSA-N 1 0 412.486 3.359 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000102513893 560815360 /nfs/dbraw/zinc/81/53/60/560815360.db2.gz NDXRRWUGLMNXGO-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1C ZINC000102862956 560832285 /nfs/dbraw/zinc/83/22/85/560832285.db2.gz IVDBCFIYIQKXAO-JBCNATCCSA-N 1 0 408.498 3.377 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102888590 560832809 /nfs/dbraw/zinc/83/28/09/560832809.db2.gz SHDMWGKQOLEQBA-JBCNATCCSA-N 1 0 424.497 3.163 50 30 HGEARO C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000104755258 560854355 /nfs/dbraw/zinc/85/43/55/560854355.db2.gz WQMGCNYUPXJMEE-ZFFYZDHPSA-N 1 0 413.541 3.435 50 30 HGEARO COc1ccc([C@@H]2CC(=O)C([C@@H]3[NH2+]CCc4ccccc43)C(=O)[C@H]2n2cncn2)cc1 ZINC000106347325 560890465 /nfs/dbraw/zinc/89/04/65/560890465.db2.gz DSUPBOWGYAQECD-PMOQBDJRSA-N 1 0 416.481 3.284 50 30 HGEARO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000024835782 568469899 /nfs/dbraw/zinc/46/98/99/568469899.db2.gz ASMJBURGUOQXPS-UHFFFAOYSA-N 1 0 419.481 3.253 50 30 HGEARO Cc1c(CCOC(=O)C2CC2)sc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000003179135 568477947 /nfs/dbraw/zinc/47/79/47/568477947.db2.gz GCYYOUIVTLBVDZ-UHFFFAOYSA-N 1 0 409.325 3.485 50 30 HGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(C)cc1 ZINC000020358149 568600454 /nfs/dbraw/zinc/60/04/54/568600454.db2.gz IKOVHLOQFMOGGQ-NRFANRHFSA-N 1 0 418.497 3.091 50 30 HGEARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000034890435 568831263 /nfs/dbraw/zinc/83/12/63/568831263.db2.gz DHBFYWMOMOKCJU-HUUCEWRRSA-N 1 0 403.548 3.348 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1C ZINC000004312475 568961130 /nfs/dbraw/zinc/96/11/30/568961130.db2.gz SSSAQSDWIMAWMV-OAQYLSRUSA-N 1 0 424.497 3.239 50 30 biogenic HGEARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)C#Cc1ccccc1 ZINC000012714195 568996223 /nfs/dbraw/zinc/99/62/23/568996223.db2.gz QYWXOMZBDOIARL-QHCPKHFHSA-N 1 0 416.565 3.393 50 30 HGEARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#CC(C)(C)O)cc3)C2)c1 ZINC000014976478 569004234 /nfs/dbraw/zinc/00/42/34/569004234.db2.gz UFWQIJXMRPEJGC-JOCHJYFZSA-N 1 0 406.526 3.212 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](CN3CCC([NH+]4CCCCC4)CC3)C(=O)O[C@@H]1C2 ZINC000082051312 569403170 /nfs/dbraw/zinc/40/31/70/569403170.db2.gz PPRQNSMKNMTHHR-JWGCJKGUSA-N 1 0 416.606 3.464 50 30 biogenic HGEARO N#Cc1c(N)nc2c(c1N)c(=[NH2+])sc1c2[C@H](c2c(F)cccc2Cl)CC(=O)N1 ZINC000013122852 569409406 /nfs/dbraw/zinc/40/94/06/569409406.db2.gz XNEBDRZGAHDDLV-LURJTMIESA-N 1 0 414.853 3.078 50 30 aggregator HGEARO C#CCN(CC=C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000055089269 518258151 /nfs/dbraw/zinc/25/81/51/518258151.db2.gz NIOWCSISURHIAX-JOCHJYFZSA-N 1 0 400.563 3.322 50 30 HGEARO C#CCN1CC[C@H]([NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CCC1=O ZINC000020774982 518271255 /nfs/dbraw/zinc/27/12/55/518271255.db2.gz HNUFBKPNGTWQCQ-XMMPIXPASA-N 1 0 401.554 3.408 50 30 HGEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146975 518988712 /nfs/dbraw/zinc/98/87/12/518988712.db2.gz DGCFHJJFJWNOFP-GMAHTHKFSA-N 1 0 410.514 3.254 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000032777054 519177621 /nfs/dbraw/zinc/17/76/21/519177621.db2.gz PAQDIZJJLZQACX-UHFFFAOYSA-N 1 0 403.527 3.362 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccn1 ZINC000020229677 520602729 /nfs/dbraw/zinc/60/27/29/520602729.db2.gz ZZHPCOGGDFWEBH-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO COc1ccc([C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCOCC2)cc1 ZINC000022798846 525188308 /nfs/dbraw/zinc/18/83/08/525188308.db2.gz XADJJYWVVPZTSJ-XMMPIXPASA-N 1 0 408.546 3.208 50 30 HGEARO COC(=O)c1ccccc1NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000002532606 557354877 /nfs/dbraw/zinc/35/48/77/557354877.db2.gz FUFDMKJPXMCFQF-UHFFFAOYSA-O 1 0 400.458 3.402 50 30 HGEARO Cc1ccc2oc(=O)n(CCC(=[NH2+])NOC(=O)c3ccc(C(F)(F)F)nc3C)c2c1 ZINC000008636608 557797775 /nfs/dbraw/zinc/79/77/75/557797775.db2.gz RKQCPKNXSFCKEH-UHFFFAOYSA-N 1 0 422.363 3.144 50 30 HGEARO CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)c1 ZINC000019973905 558316886 /nfs/dbraw/zinc/31/68/86/558316886.db2.gz UVVJRJIPNRCGRC-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020230459 558350170 /nfs/dbraw/zinc/35/01/70/558350170.db2.gz SISCMRJTOSCCCS-OAQYLSRUSA-N 1 0 406.482 3.391 50 30 HGEARO C[NH+](C)CCCN(C(=O)c1ccc(C#N)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359794 558456980 /nfs/dbraw/zinc/45/69/80/558456980.db2.gz DZFALTSZQDPNBH-UHFFFAOYSA-N 1 0 408.483 3.495 50 30 HGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013003389 558501355 /nfs/dbraw/zinc/50/13/55/558501355.db2.gz XDMRMOYQRJYLFG-HXUWFJFHSA-N 1 0 410.470 3.293 50 30 HGEARO COc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000005006525 559227393 /nfs/dbraw/zinc/22/73/93/559227393.db2.gz PXHIFRGFBGLFML-QHCPKHFHSA-O 1 0 402.474 3.326 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000102932401 560835607 /nfs/dbraw/zinc/83/56/07/560835607.db2.gz WDYYDYIPPABGAF-MRJHHRETSA-N 1 0 408.498 3.459 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020149758 568590701 /nfs/dbraw/zinc/59/07/01/568590701.db2.gz MSQLSDXSYMQFDX-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3cc(C)c(C)cc3O)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020309916 568598518 /nfs/dbraw/zinc/59/85/18/568598518.db2.gz DCRJSYHFTMMITL-NRFANRHFSA-N 1 0 424.497 3.158 50 30 HGEARO CN(C(=O)C[NH2+]C(C)(C)COc1ncccc1Br)C1(C#N)CCCCC1 ZINC000095456052 568617403 /nfs/dbraw/zinc/61/74/03/568617403.db2.gz RPPYGDMJZMQKKU-UHFFFAOYSA-N 1 0 423.355 3.276 50 30 HGEARO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCC[C@H]1Cn1ccnn1)CCCCC2 ZINC000095459739 568619879 /nfs/dbraw/zinc/61/98/79/568619879.db2.gz JZIHNZKINMTJAA-INIZCTEOSA-N 1 0 412.563 3.363 50 30 HGEARO O[C@H](CON=C1c2ccccc2-c2ccccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000002700747 568801731 /nfs/dbraw/zinc/80/17/31/568801731.db2.gz CAGBFKSQJXQGCC-IBGZPJMESA-N 1 0 414.509 3.014 50 30 HGEARO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000012554520 568855135 /nfs/dbraw/zinc/85/51/35/568855135.db2.gz CVHWAEGFYMBCFR-UHFFFAOYSA-N 1 0 407.474 3.003 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004312653 568961153 /nfs/dbraw/zinc/96/11/53/568961153.db2.gz MKNDKSAMYPWHDD-WOOAAIBNSA-N 1 0 400.425 3.338 50 30 HGEARO C#Cc1cccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000011997270 568992622 /nfs/dbraw/zinc/99/26/22/568992622.db2.gz GJNGPSJIGKEZTO-JOCHJYFZSA-N 1 0 406.526 3.464 50 30 HGEARO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3OC)C2)n1C ZINC000014987961 569004114 /nfs/dbraw/zinc/00/41/14/569004114.db2.gz KAIVBIVIVIJFNR-INIZCTEOSA-N 1 0 418.563 3.499 50 30 HGEARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1CCO ZINC000104381497 569008513 /nfs/dbraw/zinc/00/85/13/569008513.db2.gz PKDAXWZGQVIBFJ-RUZDIDTESA-N 1 0 406.570 3.186 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000006428328 569048780 /nfs/dbraw/zinc/04/87/80/569048780.db2.gz LFFUSSRDWUKBPT-RHVFDXGSSA-N 1 0 424.497 3.285 50 30 HGEARO C[N+](C)(CC#N)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239175791 569054017 /nfs/dbraw/zinc/05/40/17/569054017.db2.gz QQOPZLXXMIPEGK-CJRSTVEYSA-N 1 0 414.529 3.325 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(F)c2)s1 ZINC000006812778 569136644 /nfs/dbraw/zinc/13/66/44/569136644.db2.gz BFRLBIDDZOTIIE-INIZCTEOSA-N 1 0 403.479 3.039 50 30 HGEARO C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146540 518311959 /nfs/dbraw/zinc/31/19/59/518311959.db2.gz NBQITXLQAONDQJ-YADHBBJMSA-N 1 0 412.917 3.346 50 30 HGEARO C=CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677535 518718334 /nfs/dbraw/zinc/71/83/34/518718334.db2.gz ARHBIXFNNFPXHS-GOSISDBHSA-N 1 0 418.925 3.025 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000032776964 519175378 /nfs/dbraw/zinc/17/53/78/519175378.db2.gz LROXVUJQJDCZGL-UHFFFAOYSA-N 1 0 403.527 3.362 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000032777072 519175563 /nfs/dbraw/zinc/17/55/63/519175563.db2.gz DLMXZMAIZMFQHZ-MSOLQXFVSA-N 1 0 405.612 3.280 50 30 HGEARO COCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000021046938 523268427 /nfs/dbraw/zinc/26/84/27/523268427.db2.gz XDXBGAGHMMGYQQ-SFHVURJKSA-N 1 0 404.555 3.051 50 30 HGEARO COc1ccc(C(=O)C[n+]2cnn(CC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000001898809 523593796 /nfs/dbraw/zinc/59/37/96/523593796.db2.gz KCKLOWGKFJUIIB-UHFFFAOYSA-N 1 0 405.261 3.252 50 30 HGEARO N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000022935031 526486065 /nfs/dbraw/zinc/48/60/65/526486065.db2.gz YOQVKXQZHDZXAL-DEOSSOPVSA-N 1 0 415.537 3.463 50 30 HGEARO N#CCc1ccc(OC[C@H](O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000022935026 526486255 /nfs/dbraw/zinc/48/62/55/526486255.db2.gz YOQVKXQZHDZXAL-XMMPIXPASA-N 1 0 415.537 3.463 50 30 HGEARO COc1ccc(C(=[NH2+])NOC(=O)COc2cc(C)c(Br)c(C)c2)cc1 ZINC000004845504 557605609 /nfs/dbraw/zinc/60/56/09/557605609.db2.gz RSGWDWDTXGJUKC-UHFFFAOYSA-N 1 0 407.264 3.317 50 30 HGEARO O=C1C[C@@H](c2ccc(F)cc2)[C@H](n2cncn2)C(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020405141 558359880 /nfs/dbraw/zinc/35/98/80/558359880.db2.gz FXLNDTHFEDSOJP-BWAGFHJFSA-N 1 0 404.445 3.414 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000020441146 558363594 /nfs/dbraw/zinc/36/35/94/558363594.db2.gz OAJWXZKHBYSJSS-VLIAUNLRSA-N 1 0 410.470 3.051 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000013162861 558524562 /nfs/dbraw/zinc/52/45/62/558524562.db2.gz XGTLWEULLYKMDW-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000017180865 558825154 /nfs/dbraw/zinc/82/51/54/558825154.db2.gz XOMRVGCPZAGBPJ-IBGZPJMESA-N 1 0 409.442 3.043 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000017252649 558826274 /nfs/dbraw/zinc/82/62/74/558826274.db2.gz MSLFIWKBUSKCCD-NRFANRHFSA-N 1 0 423.513 3.399 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000019582243 558937182 /nfs/dbraw/zinc/93/71/82/558937182.db2.gz NSPTUKXBJWRFEB-LJQANCHMSA-N 1 0 400.425 3.495 50 30 HGEARO CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NCCC2=C[NH2+][C@@H]3C=CC=C[C@@H]23)C1=O ZINC000100853469 559141321 /nfs/dbraw/zinc/14/13/21/559141321.db2.gz YYNHUHDXGKLILK-QEGJZFQBSA-N 1 0 416.477 3.452 50 30 HGEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004874861 559195209 /nfs/dbraw/zinc/19/52/09/559195209.db2.gz BRQOODOKPXAVRN-OAQYLSRUSA-O 1 0 408.865 3.363 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000005446272 560588343 /nfs/dbraw/zinc/58/83/43/560588343.db2.gz WXZDWRBTSKRPSP-JBCNATCCSA-N 1 0 408.498 3.295 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000018119940 560776925 /nfs/dbraw/zinc/77/69/25/560776925.db2.gz ZSJOFGRSCMRFJF-HXUWFJFHSA-N 1 0 424.497 3.234 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccco1 ZINC000102528600 560816394 /nfs/dbraw/zinc/81/63/94/560816394.db2.gz UBJPRWVFYSYAFF-NHFXJNLRSA-N 1 0 412.486 3.442 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1C ZINC000102694723 560820026 /nfs/dbraw/zinc/82/00/26/560820026.db2.gz FXCNXNQTRIQRNL-GHNGSUTGSA-N 1 0 400.500 3.048 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000102717913 560823395 /nfs/dbraw/zinc/82/33/95/560823395.db2.gz HKLGJYCFCUYUNX-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1C ZINC000103887091 560844929 /nfs/dbraw/zinc/84/49/29/560844929.db2.gz QBKMOBGMYGHQEA-JBCNATCCSA-N 1 0 424.497 3.083 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000104179896 560849168 /nfs/dbraw/zinc/84/91/68/560849168.db2.gz JYLKUQSNCRJJEA-JBCNATCCSA-N 1 0 408.498 3.377 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccn1 ZINC000020228852 568595197 /nfs/dbraw/zinc/59/51/97/568595197.db2.gz FXNNKXXUBFYPNW-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020442914 568607761 /nfs/dbraw/zinc/60/77/61/568607761.db2.gz FFMIVNLBGSMVSL-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)s1 ZINC000006812773 569136686 /nfs/dbraw/zinc/13/66/86/569136686.db2.gz CPPDUWGPUWIKGY-HNNXBMFYSA-N 1 0 405.545 3.351 50 30 HGEARO CN1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000253415688 569367097 /nfs/dbraw/zinc/36/70/97/569367097.db2.gz DXJIPLBMCOOURS-PXNSSMCTSA-N 1 0 404.848 3.463 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000008914762 571150517 /nfs/dbraw/zinc/15/05/17/571150517.db2.gz GVNMFMLIUNIOCB-JBCNATCCSA-N 1 0 408.498 3.295 50 30 HGEARO C=CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1N(C)C)CC(C)C ZINC000036301638 518990924 /nfs/dbraw/zinc/99/09/24/518990924.db2.gz IQNRFCMPIUEKCX-HXUWFJFHSA-N 1 0 400.567 3.175 50 30 HGEARO CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000021046949 521705480 /nfs/dbraw/zinc/70/54/80/521705480.db2.gz ZCMCUAAIQKHRAW-IBGZPJMESA-N 1 0 418.582 3.441 50 30 HGEARO COc1ccc([C@H]2CC(=O)C([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@H]2n2cncn2)cc1 ZINC000036025379 525396937 /nfs/dbraw/zinc/39/69/37/525396937.db2.gz DSUPBOWGYAQECD-OIBXWCBGSA-N 1 0 416.481 3.284 50 30 HGEARO Clc1ccc2nnn(OP(N3CCCC3)(N3CCCC3)=[N+]3CCCC3)c2c1 ZINC000034883572 526971155 /nfs/dbraw/zinc/97/11/55/526971155.db2.gz PRKRAKFHNGFSIT-UHFFFAOYSA-N 1 0 409.882 3.478 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c1 ZINC000005800789 557803423 /nfs/dbraw/zinc/80/34/23/557803423.db2.gz QIWAJCILGPJBOP-JBCNATCCSA-N 1 0 408.498 3.377 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000008997020 557818256 /nfs/dbraw/zinc/81/82/56/557818256.db2.gz PXJUJEWNBJYSNI-FQEVSTJZSA-N 1 0 409.486 3.009 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000019938546 558313000 /nfs/dbraw/zinc/31/30/00/558313000.db2.gz UOQCYYOJZRULBG-OAQYLSRUSA-N 1 0 421.497 3.176 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000019939133 558313272 /nfs/dbraw/zinc/31/32/72/558313272.db2.gz KAXPDURASNWMNN-HXUWFJFHSA-N 1 0 412.461 3.364 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017145980 558823879 /nfs/dbraw/zinc/82/38/79/558823879.db2.gz PEKLZXPOPAPIRN-IBGZPJMESA-N 1 0 409.442 3.043 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1F ZINC000013689398 558855277 /nfs/dbraw/zinc/85/52/77/558855277.db2.gz IVYQMCJJFSODQT-SFHVURJKSA-N 1 0 418.490 3.426 50 30 HGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc(Cl)c1 ZINC000013689884 558855340 /nfs/dbraw/zinc/85/53/40/558855340.db2.gz NLYONNHRUSYTJI-SFHVURJKSA-N 1 0 416.909 3.210 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccnc1 ZINC000013720349 558859069 /nfs/dbraw/zinc/85/90/69/558859069.db2.gz DWZRFANWJYPTPR-HXUWFJFHSA-N 1 0 404.470 3.093 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)c2ccccc21 ZINC000013720536 558859095 /nfs/dbraw/zinc/85/90/95/558859095.db2.gz ZHPRNHWVMVLSQE-IBGZPJMESA-N 1 0 409.511 3.380 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013732580 558861217 /nfs/dbraw/zinc/86/12/17/558861217.db2.gz DEGSZDDTRIZZRD-OAQYLSRUSA-N 1 0 419.481 3.316 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1F ZINC000013729570 558861337 /nfs/dbraw/zinc/86/13/37/558861337.db2.gz KUNQMJPSGDCHOC-IBGZPJMESA-N 1 0 416.424 3.113 50 30 HGEARO [NH2+]=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100313878 559134041 /nfs/dbraw/zinc/13/40/41/559134041.db2.gz VREODRWFXYUFJV-AWEZNQCLSA-N 1 0 404.289 3.461 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000005565256 560616021 /nfs/dbraw/zinc/61/60/21/560616021.db2.gz QYFFMLYRBVDKDQ-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000005576840 560624715 /nfs/dbraw/zinc/62/47/15/560624715.db2.gz BMBMKUVWTAKSBS-LFVOPCPISA-N 1 0 414.889 3.332 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)c(C)c1 ZINC000017196390 560703777 /nfs/dbraw/zinc/70/37/77/560703777.db2.gz XYHXJTSZPXBVFO-NRFANRHFSA-N 1 0 424.497 3.239 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1 ZINC000102516140 560815459 /nfs/dbraw/zinc/81/54/59/560815459.db2.gz YVDWZBDCBLRGNR-LFVOPCPISA-N 1 0 413.905 3.499 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102526171 560816195 /nfs/dbraw/zinc/81/61/95/560816195.db2.gz CFYUXLMRDACEDW-GROYHEBESA-N 1 0 415.471 3.030 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1 ZINC000102862069 560832123 /nfs/dbraw/zinc/83/21/23/560832123.db2.gz NSOYCWPEFLZXRZ-JBCNATCCSA-N 1 0 424.497 3.040 50 30 HGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000102929630 560834354 /nfs/dbraw/zinc/83/43/54/560834354.db2.gz LXRJJRSFTNHUCR-PGVNHDJNSA-N 1 0 418.497 3.016 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000102932403 560835623 /nfs/dbraw/zinc/83/56/23/560835623.db2.gz WDYYDYIPPABGAF-JBCNATCCSA-N 1 0 408.498 3.459 50 30 HGEARO C[N@@H+]1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)c(C#N)cc2C1 ZINC000020057933 568586974 /nfs/dbraw/zinc/58/69/74/568586974.db2.gz VOEJGTFCIXJTBN-UHFFFAOYSA-N 1 0 409.540 3.094 50 30 HGEARO COc1ccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)=N\O)cc1OC ZINC000020111867 568588930 /nfs/dbraw/zinc/58/89/30/568588930.db2.gz CAVYINWUJMZQPC-VBHMAFOESA-N 1 0 414.458 3.239 50 30 biogenic HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000020229970 568595221 /nfs/dbraw/zinc/59/52/21/568595221.db2.gz IRIZLRHSBXIREG-IBGZPJMESA-N 1 0 414.889 3.489 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccco1 ZINC000005799400 568734758 /nfs/dbraw/zinc/73/47/58/568734758.db2.gz QRAKCIYKUYRRAJ-YDJIHCHBSA-N 1 0 412.486 3.442 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccnc1 ZINC000005799417 568734778 /nfs/dbraw/zinc/73/47/78/568734778.db2.gz WALLIZSZLAECFW-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000006025077 568835669 /nfs/dbraw/zinc/83/56/69/568835669.db2.gz ZQMRJVCGVGQAGK-JBCNATCCSA-N 1 0 421.497 3.020 50 30 HGEARO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCC1)C[C@@H](O)COc1cccc2ccccc21 ZINC000058305339 568910414 /nfs/dbraw/zinc/91/04/14/568910414.db2.gz AMZOWANMOIEXIT-HXUWFJFHSA-N 1 0 409.530 3.242 50 30 HGEARO COc1ccc(C[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)cc1OC ZINC000004040508 568935790 /nfs/dbraw/zinc/93/57/90/568935790.db2.gz KVOCPNUEOLEVNM-NJZHSRSUSA-N 1 0 415.530 3.319 50 30 biogenic HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C1CCCCCC1)C2 ZINC000014747978 569003468 /nfs/dbraw/zinc/00/34/68/569003468.db2.gz AWIVULKKLKWPED-SFHVURJKSA-N 1 0 402.608 3.428 50 30 HGEARO C[C@@H]1CC[C@H]2[C@@H](C[N@H+](C)C[C@@](C)(O)c3ccccc3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000012897643 569020348 /nfs/dbraw/zinc/02/03/48/569020348.db2.gz USZNBPTYRPCLPW-ZHRNYAGTSA-N 1 0 413.558 3.351 50 30 biogenic HGEARO COCc1cc(C)[nH+]c(NNC=C2C(C)=NN(c3ccc(C)c(C)c3)C2=O)c1C#N ZINC000016312142 569031267 /nfs/dbraw/zinc/03/12/67/569031267.db2.gz PCDPXRPBLIAVPP-RGVLZGJSSA-N 1 0 404.474 3.248 50 30 HGEARO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000242183938 569315181 /nfs/dbraw/zinc/31/51/81/569315181.db2.gz XDDDSUSLMDGNRB-PWRODBHTSA-N 1 0 407.518 3.088 50 30 HGEARO C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000002408225 569396404 /nfs/dbraw/zinc/39/64/04/569396404.db2.gz GWWBMDLRWJQROO-NRFANRHFSA-N 1 0 404.466 3.465 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000014731903 569409294 /nfs/dbraw/zinc/40/92/94/569409294.db2.gz JUBKCEBOFZXEEN-INIZCTEOSA-N 1 0 416.616 3.009 50 30 HGEARO COc1ccc([C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000039936137 571134853 /nfs/dbraw/zinc/13/48/53/571134853.db2.gz WIRSZDUJZMZDFW-QPPBQGQZSA-N 1 0 409.530 3.123 50 30 HGEARO CCc1c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cnn1-c1cccc(Cl)c1 ZINC000040158504 571204898 /nfs/dbraw/zinc/20/48/98/571204898.db2.gz UWRABAATICTIKQ-UHFFFAOYSA-N 1 0 411.897 3.087 50 30 HGEARO CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000021046670 521705468 /nfs/dbraw/zinc/70/54/68/521705468.db2.gz YOMCHNANRQDWSE-UHFFFAOYSA-N 1 0 416.566 3.339 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)o2)c1 ZINC000005409140 557651900 /nfs/dbraw/zinc/65/19/00/557651900.db2.gz AADUYNBUHAWUCA-FQEVSTJZSA-N 1 0 421.453 3.462 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)s1 ZINC000006812797 557724403 /nfs/dbraw/zinc/72/44/03/557724403.db2.gz FZJXFNNMYCJHPG-MRXNPFEDSA-N 1 0 403.479 3.039 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019882760 558301555 /nfs/dbraw/zinc/30/15/55/558301555.db2.gz PZSLPCRHWBWQTK-IBGZPJMESA-N 1 0 409.442 3.125 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000019972581 558316289 /nfs/dbraw/zinc/31/62/89/558316289.db2.gz MWJBZKRQYYUPKJ-NRFANRHFSA-N 1 0 408.498 3.452 50 30 HGEARO CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000019999607 558317870 /nfs/dbraw/zinc/31/78/70/558317870.db2.gz IZEOQXAJBWFAOD-SFHVURJKSA-N 1 0 400.500 3.287 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000013004408 558501602 /nfs/dbraw/zinc/50/16/02/558501602.db2.gz FSKIZURPFCMVCJ-OAQYLSRUSA-N 1 0 424.497 3.319 50 30 HGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccccc3F)ccc2O1 ZINC000013831693 558596736 /nfs/dbraw/zinc/59/67/36/558596736.db2.gz YORFZOKUUKWPGU-LHSJRXKWSA-N 1 0 424.472 3.289 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)cc1Cl ZINC000017137745 558823587 /nfs/dbraw/zinc/82/35/87/558823587.db2.gz NGTASPXKCBACGA-SFHVURJKSA-N 1 0 418.877 3.472 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000017835458 558828045 /nfs/dbraw/zinc/82/80/45/558828045.db2.gz DTCSOTYNSSRGKU-FQEVSTJZSA-N 1 0 412.461 3.283 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 ZINC000013548836 558842989 /nfs/dbraw/zinc/84/29/89/558842989.db2.gz QDRUVLIYRCXEDA-HXUWFJFHSA-N 1 0 405.454 3.358 50 30 HGEARO COc1ccc([C@@H]2CC(=O)C([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2n2cncn2)cc1 ZINC000013571559 558844589 /nfs/dbraw/zinc/84/45/89/558844589.db2.gz DSUPBOWGYAQECD-AJSBUHFISA-N 1 0 416.481 3.284 50 30 HGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccco1 ZINC000013688542 558855109 /nfs/dbraw/zinc/85/51/09/558855109.db2.gz KCPUOPFCPFQKHI-GOSISDBHSA-N 1 0 418.877 3.472 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)c2ccccc21 ZINC000013727105 558859806 /nfs/dbraw/zinc/85/98/06/558859806.db2.gz KYOBONJOAVHJFG-FQEVSTJZSA-N 1 0 407.470 3.301 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019582306 558937362 /nfs/dbraw/zinc/93/73/62/558937362.db2.gz LYFGUONZYIXXMY-QGZVFWFLSA-N 1 0 415.471 3.186 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005565259 560616067 /nfs/dbraw/zinc/61/60/67/560616067.db2.gz XAIBWOJDXKMOIB-MRJHHRETSA-N 1 0 408.498 3.459 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000017835654 560729137 /nfs/dbraw/zinc/72/91/37/560729137.db2.gz ZSJOFGRSCMRFJF-FQEVSTJZSA-N 1 0 424.497 3.234 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000017885006 560729810 /nfs/dbraw/zinc/72/98/10/560729810.db2.gz FAMODBAOOGKSET-HXUWFJFHSA-N 1 0 410.470 3.293 50 30 HGEARO COC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)sc2c1CCN(C)C2 ZINC000018192955 560782156 /nfs/dbraw/zinc/78/21/56/560782156.db2.gz KWUKCBUOBPFERI-SSDVNMTOSA-N 1 0 410.499 3.473 50 30 HGEARO CC(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000101152714 560787007 /nfs/dbraw/zinc/78/70/07/560787007.db2.gz NTJMLOVAUAWNQE-TXQCQQFXSA-N 1 0 413.301 3.000 50 30 HGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000102170278 560808296 /nfs/dbraw/zinc/80/82/96/560808296.db2.gz JCFJHUKJFCRKIP-MRJHHRETSA-N 1 0 423.513 3.100 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102490990 560812092 /nfs/dbraw/zinc/81/20/92/560812092.db2.gz DGIAPAGFYAPFEH-YDJIHCHBSA-N 1 0 412.461 3.208 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 ZINC000102492833 560812300 /nfs/dbraw/zinc/81/23/00/560812300.db2.gz ZAHAAWXPDZENMW-JBCNATCCSA-N 1 0 423.513 3.162 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccncc1 ZINC000102857115 560831051 /nfs/dbraw/zinc/83/10/51/560831051.db2.gz KAUUSXGFHZKNNY-JBCNATCCSA-N 1 0 423.513 3.162 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccncc1 ZINC000020150192 568590647 /nfs/dbraw/zinc/59/06/47/568590647.db2.gz RJOPWMPASVGPHK-KRWDZBQOSA-N 1 0 414.531 3.075 50 30 HGEARO CC[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000034803669 568827684 /nfs/dbraw/zinc/82/76/84/568827684.db2.gz NJFRFBVNAOLBSM-UHFFFAOYSA-N 1 0 404.923 3.154 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)cc2)c1 ZINC000005884088 568828048 /nfs/dbraw/zinc/82/80/48/568828048.db2.gz QIWAJCILGPJBOP-MRJHHRETSA-N 1 0 408.498 3.377 50 30 HGEARO O=C([O-])c1cccc(NC(=[NH+]C[C@@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000046022120 568924116 /nfs/dbraw/zinc/92/41/16/568924116.db2.gz CPZGCXBJASSAEO-NRFANRHFSA-N 1 0 414.550 3.091 50 30 HGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000006812700 569136563 /nfs/dbraw/zinc/13/65/63/569136563.db2.gz OHYABIVNLUXYCM-LFVOPCPISA-N 1 0 412.511 3.296 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000014731905 569409437 /nfs/dbraw/zinc/40/94/37/569409437.db2.gz JUBKCEBOFZXEEN-MRXNPFEDSA-N 1 0 416.616 3.009 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)c2ccccc21 ZINC000013688602 524055532 /nfs/dbraw/zinc/05/55/32/524055532.db2.gz YWWVGUVBZYPHKU-OAQYLSRUSA-N 1 0 418.497 3.103 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102863894 525942953 /nfs/dbraw/zinc/94/29/53/525942953.db2.gz AEFJHFPRUIWDPB-YDJIHCHBSA-N 1 0 423.469 3.277 50 30 HGEARO CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)CC1 ZINC000004325503 557857309 /nfs/dbraw/zinc/85/73/09/557857309.db2.gz UIKVIVVNIWEHQZ-IBGZPJMESA-N 1 0 415.497 3.122 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019928146 558308572 /nfs/dbraw/zinc/30/85/72/558308572.db2.gz STQYUKJXWMPITA-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000019955867 558315008 /nfs/dbraw/zinc/31/50/08/558315008.db2.gz UKOSKPGXVMBPLA-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccnc1 ZINC000020135220 558337436 /nfs/dbraw/zinc/33/74/36/558337436.db2.gz PAKKPQLZTRUBLQ-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000020441150 558363520 /nfs/dbraw/zinc/36/35/20/558363520.db2.gz OAJWXZKHBYSJSS-XOBRGWDASA-N 1 0 410.470 3.051 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000013003172 558501403 /nfs/dbraw/zinc/50/14/03/558501403.db2.gz NPXMDFOWJDGDQK-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000017969459 558829048 /nfs/dbraw/zinc/82/90/48/558829048.db2.gz DVXANZJXHDDMLS-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO C[NH+](C)CCNc1nc(N2CCCCC2)c(C#N)c2c1CN(Cc1ccccc1)CC2 ZINC000013749968 558863250 /nfs/dbraw/zinc/86/32/50/558863250.db2.gz PXUZISCAVRDABY-UHFFFAOYSA-N 1 0 418.589 3.475 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F ZINC000019582248 558937279 /nfs/dbraw/zinc/93/72/79/558937279.db2.gz XHNRPNXLHMQWCR-LJQANCHMSA-N 1 0 400.425 3.495 50 30 HGEARO CO[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082007 559049029 /nfs/dbraw/zinc/04/90/29/559049029.db2.gz ABONCZHBUIBPGO-RTBURBONSA-N 1 0 403.523 3.331 50 30 HGEARO CC[NH+]1CCC(N=Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000004865478 559193829 /nfs/dbraw/zinc/19/38/29/559193829.db2.gz OGHDCTKOLGRONT-UHFFFAOYSA-N 1 0 417.491 3.279 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c1 ZINC000005408683 560583743 /nfs/dbraw/zinc/58/37/43/560583743.db2.gz RYODNAMSMWNZQR-SELCWUDQSA-N 1 0 400.500 3.130 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000018033097 560772992 /nfs/dbraw/zinc/77/29/92/560772992.db2.gz FSKIZURPFCMVCJ-NRFANRHFSA-N 1 0 424.497 3.319 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccco2)cc1 ZINC000102497953 560812538 /nfs/dbraw/zinc/81/25/38/560812538.db2.gz BDGWZPQWKZKSAL-NHFXJNLRSA-N 1 0 412.486 3.442 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000102539528 560814074 /nfs/dbraw/zinc/81/40/74/560814074.db2.gz KDDIVVBARMBVMD-YDJIHCHBSA-N 1 0 412.486 3.442 50 30 HGEARO CCCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102524866 560815986 /nfs/dbraw/zinc/81/59/86/560815986.db2.gz GNGMEXJSEWPCJZ-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102873537 560830300 /nfs/dbraw/zinc/83/03/00/560830300.db2.gz ZKQORPPGUNLFAE-WOOAAIBNSA-N 1 0 414.889 3.332 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102863891 560832466 /nfs/dbraw/zinc/83/24/66/560832466.db2.gz AEFJHFPRUIWDPB-NHFXJNLRSA-N 1 0 423.469 3.277 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102888666 560832780 /nfs/dbraw/zinc/83/27/80/560832780.db2.gz KKKGATNDSCVBMX-JBCNATCCSA-N 1 0 424.497 3.164 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)c1 ZINC000020149618 568590659 /nfs/dbraw/zinc/59/06/59/568590659.db2.gz YCHVLMBRTWYPOP-FQEVSTJZSA-N 1 0 412.461 3.364 50 30 HGEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020219593 568594897 /nfs/dbraw/zinc/59/48/97/568594897.db2.gz BCLKIBFQDREELI-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO C[C@@H]1CC[C@H]2[C@H](C[NH+]3CCN(Cc4ccccc4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000020412061 568605367 /nfs/dbraw/zinc/60/53/67/568605367.db2.gz VLXSIFXMPPOTIR-CIXKVLOMSA-N 1 0 424.585 3.330 50 30 biogenic HGEARO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCC[C@@H]1Cn1ccnn1)CCCCC2 ZINC000095459740 568619725 /nfs/dbraw/zinc/61/97/25/568619725.db2.gz JZIHNZKINMTJAA-MRXNPFEDSA-N 1 0 412.563 3.363 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccccn2)cc1 ZINC000005799483 568734987 /nfs/dbraw/zinc/73/49/87/568734987.db2.gz FMLJWDIMCKVBHR-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000005799905 568735405 /nfs/dbraw/zinc/73/54/05/568735405.db2.gz SIGFTWRIMNMFQM-WOOAAIBNSA-N 1 0 414.889 3.332 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1 ZINC000006420838 569048773 /nfs/dbraw/zinc/04/87/73/569048773.db2.gz WPHHHLRRTFODFY-NHFXJNLRSA-N 1 0 410.470 3.136 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000006812689 569136578 /nfs/dbraw/zinc/13/65/78/569136578.db2.gz JUBQJSXVYIYEKS-JBCNATCCSA-N 1 0 406.482 3.235 50 30 HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006813271 569136759 /nfs/dbraw/zinc/13/67/59/569136759.db2.gz FAMODBAOOGKSET-FQEVSTJZSA-N 1 0 410.470 3.293 50 30 HGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccco1 ZINC000017124707 569275256 /nfs/dbraw/zinc/27/52/56/569275256.db2.gz ZVGNCGNVNCCMFW-IBGZPJMESA-N 1 0 422.485 3.074 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000008914763 571150645 /nfs/dbraw/zinc/15/06/45/571150645.db2.gz GVNMFMLIUNIOCB-MRJHHRETSA-N 1 0 408.498 3.295 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000009110820 571222782 /nfs/dbraw/zinc/22/27/82/571222782.db2.gz XXEVJGSLNFNCQK-MRJHHRETSA-N 1 0 408.498 3.459 50 30 HGEARO C=C(C)C[NH+]1CCN(c2cc(C)nc3cc(-c4ccc(OC)c(OC)c4)nn32)CC1 ZINC000021790413 518606793 /nfs/dbraw/zinc/60/67/93/518606793.db2.gz BUGBYLKCELPLHW-UHFFFAOYSA-N 1 0 407.518 3.420 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)c(C)c1 ZINC000102714957 523374546 /nfs/dbraw/zinc/37/45/46/523374546.db2.gz FQGLXIKVZJWYLK-SELCWUDQSA-N 1 0 400.500 3.048 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000020219487 525985678 /nfs/dbraw/zinc/98/56/78/525985678.db2.gz CJVYDXRTBQAEHY-INIZCTEOSA-N 1 0 403.504 3.191 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000000922167 557119502 /nfs/dbraw/zinc/11/95/02/557119502.db2.gz VPVGJIIWVPGIPO-FQEVSTJZSA-N 1 0 412.461 3.283 50 30 HGEARO CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](CC)CC1 ZINC000002394493 557344072 /nfs/dbraw/zinc/34/40/72/557344072.db2.gz ACIVIROIWGZWTE-SFHVURJKSA-N 1 0 409.534 3.358 50 30 HGEARO CSC(=NS(=O)(=O)c1ccccc1)NNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000004306739 557538289 /nfs/dbraw/zinc/53/82/89/557538289.db2.gz OIGXYRCTZJAAPA-UHFFFAOYSA-N 1 0 404.439 3.433 50 30 HGEARO CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)CC1 ZINC000004325502 557857299 /nfs/dbraw/zinc/85/72/99/557857299.db2.gz UIKVIVVNIWEHQZ-LJQANCHMSA-N 1 0 415.497 3.122 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccnc1 ZINC000019972617 558316313 /nfs/dbraw/zinc/31/63/13/558316313.db2.gz RCGWEADQONGRIM-OAQYLSRUSA-N 1 0 423.513 3.319 50 30 HGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)c1 ZINC000019973875 558316821 /nfs/dbraw/zinc/31/68/21/558316821.db2.gz VSBUFSXGAHCYLZ-GOSISDBHSA-N 1 0 400.500 3.287 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000020438723 558363601 /nfs/dbraw/zinc/36/36/01/558363601.db2.gz NCPKQGKXZFQRIX-NRFANRHFSA-N 1 0 422.481 3.097 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000016700323 558801519 /nfs/dbraw/zinc/80/15/19/558801519.db2.gz IPFPWESRVLJTBI-OAQYLSRUSA-N 1 0 424.497 3.152 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1F ZINC000016729458 558802179 /nfs/dbraw/zinc/80/21/79/558802179.db2.gz WMRFMBMMBZSPAW-HXUWFJFHSA-N 1 0 412.461 3.364 50 30 HGEARO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000017180281 558825161 /nfs/dbraw/zinc/82/51/61/558825161.db2.gz FICMTHUULJFFBT-OAQYLSRUSA-N 1 0 424.497 3.152 50 30 HGEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000017751418 558827894 /nfs/dbraw/zinc/82/78/94/558827894.db2.gz HAEYGEXETKEKHY-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000018043477 558830030 /nfs/dbraw/zinc/83/00/30/558830030.db2.gz HIJHKAGKOMPAQJ-IBGZPJMESA-N 1 0 414.889 3.489 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000013570664 558844447 /nfs/dbraw/zinc/84/44/47/558844447.db2.gz BJIMUHVQAXALFM-LJQANCHMSA-N 1 0 414.889 3.489 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccnc1 ZINC000013720346 558858973 /nfs/dbraw/zinc/85/89/73/558858973.db2.gz DWZRFANWJYPTPR-FQEVSTJZSA-N 1 0 404.470 3.093 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1F ZINC000013719542 558859548 /nfs/dbraw/zinc/85/95/48/558859548.db2.gz INXSVOYJDJBNOC-QGZVFWFLSA-N 1 0 404.463 3.036 50 30 HGEARO N#CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082157571 559041534 /nfs/dbraw/zinc/04/15/34/559041534.db2.gz USSRAZNFQQUAJJ-QHCPKHFHSA-N 1 0 408.590 3.168 50 30 HGEARO COc1cc(CN2CCC(C#N)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095523555 559085616 /nfs/dbraw/zinc/08/56/16/559085616.db2.gz RFZRMGSIJOHQNK-OAQYLSRUSA-N 1 0 401.551 3.046 50 30 HGEARO COc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000005006536 559227522 /nfs/dbraw/zinc/22/75/22/559227522.db2.gz PXHIFRGFBGLFML-HSZRJFAPSA-O 1 0 402.474 3.326 50 30 HGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000061996971 560568904 /nfs/dbraw/zinc/56/89/04/560568904.db2.gz ZIAHOSBBOSKRBE-VXYSGLEQSA-N 1 0 410.558 3.334 50 30 biogenic HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)c1 ZINC000005408693 560583738 /nfs/dbraw/zinc/58/37/38/560583738.db2.gz RYODNAMSMWNZQR-GHNGSUTGSA-N 1 0 400.500 3.130 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000005564226 560615735 /nfs/dbraw/zinc/61/57/35/560615735.db2.gz UIXOYQAPCFKKEG-MRJHHRETSA-N 1 0 408.498 3.459 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Cl)c1 ZINC000102485376 560811735 /nfs/dbraw/zinc/81/17/35/560811735.db2.gz QIZIVGPDVYJEJQ-LFVOPCPISA-N 1 0 413.905 3.499 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102526178 560816119 /nfs/dbraw/zinc/81/61/19/560816119.db2.gz CFYUXLMRDACEDW-HVESIFNPSA-N 1 0 415.471 3.030 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccncc1 ZINC000102857118 560831040 /nfs/dbraw/zinc/83/10/40/560831040.db2.gz KAUUSXGFHZKNNY-MRJHHRETSA-N 1 0 423.513 3.162 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102862731 560832317 /nfs/dbraw/zinc/83/23/17/560832317.db2.gz KVDAEOVETOMLBB-UYTDBDHRSA-N 1 0 419.934 3.397 50 30 HGEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102879720 560833618 /nfs/dbraw/zinc/83/36/18/560833618.db2.gz GAWYBPJDGUBGAV-JBCNATCCSA-N 1 0 408.498 3.459 50 30 HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020358810 568600664 /nfs/dbraw/zinc/60/06/64/568600664.db2.gz RLIQJNKNFGERGU-NRFANRHFSA-N 1 0 421.497 3.176 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 ZINC000005799471 568734958 /nfs/dbraw/zinc/73/49/58/568734958.db2.gz YZOHAQZXSKUZMG-WOOAAIBNSA-N 1 0 413.905 3.499 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccn1 ZINC000005799433 568735078 /nfs/dbraw/zinc/73/50/78/568735078.db2.gz APOXRNFKOBAMMI-JBCNATCCSA-N 1 0 423.513 3.162 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c1 ZINC000005799906 568735248 /nfs/dbraw/zinc/73/52/48/568735248.db2.gz WJRRYGKHFIZPOS-WOOAAIBNSA-N 1 0 414.889 3.332 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014733040 569003451 /nfs/dbraw/zinc/00/34/51/569003451.db2.gz FXWJSXWXARUOGT-SFHVURJKSA-N 1 0 414.550 3.044 50 30 HGEARO O=C(C[n+]1cc(Br)cc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000001595183 569009498 /nfs/dbraw/zinc/00/94/98/569009498.db2.gz GSKKJRKRKPUNES-UHFFFAOYSA-N 1 0 401.034 3.290 50 30 HGEARO C[NH+](C)CC#Cc1ccc(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)s1 ZINC000019835300 569018531 /nfs/dbraw/zinc/01/85/31/569018531.db2.gz GFZSUIDCKHSJLX-UHFFFAOYSA-N 1 0 405.932 3.415 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000006187667 569029571 /nfs/dbraw/zinc/02/95/71/569029571.db2.gz DGOWRSKIBXWCKW-NHFXJNLRSA-N 1 0 410.470 3.218 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1 ZINC000008837638 571123433 /nfs/dbraw/zinc/12/34/33/571123433.db2.gz PXFQOWWPGUHOPA-MRJHHRETSA-N 1 0 424.472 3.374 50 30 HGEARO COc1cc(C=O)ccc1OCC#C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000008879872 571131477 /nfs/dbraw/zinc/13/14/77/571131477.db2.gz HLGGRVCZOPVRNO-SFHVURJKSA-N 1 0 424.473 3.001 50 30 biogenic HGEARO C#Cc1ccc(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)cc1 ZINC000055119418 518358240 /nfs/dbraw/zinc/35/82/40/518358240.db2.gz JDVXYDXADAHSOV-UHFFFAOYSA-N 1 0 416.569 3.056 50 30 HGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000009349893 519762127 /nfs/dbraw/zinc/76/21/27/519762127.db2.gz ITTBOSGXBUVSHK-NRFANRHFSA-N 1 0 423.513 3.256 50 30 HGEARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000032870720 521298744 /nfs/dbraw/zinc/29/87/44/521298744.db2.gz DHBFYWMOMOKCJU-GJZGRUSLSA-N 1 0 403.548 3.348 50 30 HGEARO C[C@](C#N)(NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000022876248 525134481 /nfs/dbraw/zinc/13/44/81/525134481.db2.gz NZQUMDYGZBITRO-RUZDIDTESA-N 1 0 402.542 3.202 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020057179 558328752 /nfs/dbraw/zinc/32/87/52/558328752.db2.gz BGXNCYQOIXTORN-SFHVURJKSA-N 1 0 400.500 3.287 50 30 HGEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020230115 558349873 /nfs/dbraw/zinc/34/98/73/558349873.db2.gz OEVYFYCRVISMSN-NRFANRHFSA-N 1 0 406.482 3.391 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC000013127738 558519373 /nfs/dbraw/zinc/51/93/73/558519373.db2.gz PVOKUPQJDQQILK-LJQANCHMSA-N 1 0 412.511 3.453 50 30 HGEARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)C1=CC(=O)CC(C)(C)O1 ZINC000015079498 558718339 /nfs/dbraw/zinc/71/83/39/558718339.db2.gz YHWNGSHYIIXCRC-SFHVURJKSA-N 1 0 402.510 3.191 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccn2)cc1 ZINC000017112737 558822784 /nfs/dbraw/zinc/82/27/84/558822784.db2.gz MPNUFQPWRCQRCK-FQEVSTJZSA-N 1 0 409.486 3.009 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2OC)cc1C ZINC000017124241 558823282 /nfs/dbraw/zinc/82/32/82/558823282.db2.gz WEHOXPUKKQOCMM-NRFANRHFSA-N 1 0 424.497 3.152 50 30 HGEARO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)CC1 ZINC000299774270 558841629 /nfs/dbraw/zinc/84/16/29/558841629.db2.gz FQVMEFSGFLCBRX-LJQANCHMSA-N 1 0 409.534 3.004 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019582303 558937302 /nfs/dbraw/zinc/93/73/02/558937302.db2.gz LYFGUONZYIXXMY-KRWDZBQOSA-N 1 0 415.471 3.186 50 30 HGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000022457660 558995286 /nfs/dbraw/zinc/99/52/86/558995286.db2.gz IPIRHHXNAVRGBD-VXYSGLEQSA-N 1 0 416.606 3.462 50 30 biogenic HGEARO CO[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082009 559049063 /nfs/dbraw/zinc/04/90/63/559049063.db2.gz ABONCZHBUIBPGO-MOPGFXCFSA-N 1 0 403.523 3.331 50 30 HGEARO COC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000017247530 560704834 /nfs/dbraw/zinc/70/48/34/560704834.db2.gz LSZOAXVGTSOTHR-UHFFFAOYSA-O 1 0 410.881 3.468 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1 ZINC000102492843 560812294 /nfs/dbraw/zinc/81/22/94/560812294.db2.gz ZAHAAWXPDZENMW-MRJHHRETSA-N 1 0 423.513 3.162 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1C ZINC000102694726 560820120 /nfs/dbraw/zinc/82/01/20/560820120.db2.gz FXCNXNQTRIQRNL-SELCWUDQSA-N 1 0 400.500 3.048 50 30 HGEARO CCOCCC[NH+]=C(Nc1cccc(C(=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000046021935 568424079 /nfs/dbraw/zinc/42/40/79/568424079.db2.gz WJGJSCCKHZLNQG-UHFFFAOYSA-N 1 0 416.566 3.339 50 30 HGEARO CC[NH+](CC)CCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000000790667 568478955 /nfs/dbraw/zinc/47/89/55/568478955.db2.gz SZUYNNSSCOCFTF-UHFFFAOYSA-N 1 0 413.489 3.032 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CC[NH+](C2CCCCC2)CC1 ZINC000020611909 568637604 /nfs/dbraw/zinc/63/76/04/568637604.db2.gz SCGHGLMSEZUDQE-KAVBHCITSA-N 1 0 416.606 3.464 50 30 biogenic HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005444311 568906981 /nfs/dbraw/zinc/90/69/81/568906981.db2.gz MYFNAKMYUYUALB-NHFXJNLRSA-N 1 0 423.469 3.358 50 30 HGEARO COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CC[NH+](C)C ZINC000004042429 568935900 /nfs/dbraw/zinc/93/59/00/568935900.db2.gz HSPQLIQNDNZCFV-JBCNATCCSA-N 1 0 420.465 3.425 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)s1 ZINC000004312425 568961110 /nfs/dbraw/zinc/96/11/10/568961110.db2.gz DDPZDPCSJLQDQT-KRWDZBQOSA-N 1 0 417.506 3.429 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000006160948 569015924 /nfs/dbraw/zinc/01/59/24/569015924.db2.gz LFFUSSRDWUKBPT-UGUUBBIDSA-N 1 0 424.497 3.285 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F ZINC000006198503 569031484 /nfs/dbraw/zinc/03/14/84/569031484.db2.gz FRNFTWIFOHVCJQ-WOOAAIBNSA-N 1 0 400.425 3.338 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006294692 569038196 /nfs/dbraw/zinc/03/81/96/569038196.db2.gz OEPPGWXBVHIKDE-JBCNATCCSA-N 1 0 421.497 3.020 50 30 HGEARO C/C(=N/OCc1nc2c3c(C)c(C)n(CC[NH+](C)C)c3ncn2n1)c1ccccc1 ZINC000006759670 569113753 /nfs/dbraw/zinc/11/37/53/569113753.db2.gz VHPPSPVYJJHOOW-QQXSKIMKSA-N 1 0 405.506 3.198 50 30 HGEARO Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccnc1 ZINC000019929608 569281961 /nfs/dbraw/zinc/28/19/61/569281961.db2.gz XGOJYWJCPLXOME-NRFANRHFSA-N 1 0 423.513 3.317 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCCc1ccccc1)C2 ZINC000014533626 569402886 /nfs/dbraw/zinc/40/28/86/569402886.db2.gz OHKPXEHBFKKACA-HXUWFJFHSA-N 1 0 424.614 3.338 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)s1 ZINC000013208146 569410304 /nfs/dbraw/zinc/41/03/04/569410304.db2.gz CPPDUWGPUWIKGY-OAHLLOKOSA-N 1 0 405.545 3.351 50 30 HGEARO Cc1cccc(C(=O)NCCN(CC[NH+]2CCCCCC2)C(=O)c2cccc(C)n2)n1 ZINC000328591977 569415194 /nfs/dbraw/zinc/41/51/94/569415194.db2.gz JWMAFDJTCCCBGD-UHFFFAOYSA-N 1 0 423.561 3.416 50 30 HGEARO CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC[C@@H](O)CN1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000022926442 520682621 /nfs/dbraw/zinc/68/26/21/520682621.db2.gz OYORAXCOEWWKBH-NPJSXQTQSA-N 1 0 413.606 3.426 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000006812683 524105754 /nfs/dbraw/zinc/10/57/54/524105754.db2.gz OBHVMXHKYCPOKZ-JBCNATCCSA-N 1 0 420.465 3.425 50 30 HGEARO [NH2+]=C(CCS(=O)(=O)c1ccc(Cl)cc1)NOC(=O)c1ccc(Cl)cc1 ZINC000004389468 557550647 /nfs/dbraw/zinc/55/06/47/557550647.db2.gz DFOCBHKGYUJQFB-UHFFFAOYSA-N 1 0 401.271 3.286 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccnc1 ZINC000019861609 558298163 /nfs/dbraw/zinc/29/81/63/558298163.db2.gz CZOASWZPOQKEJC-QGZVFWFLSA-N 1 0 414.531 3.075 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccncc1 ZINC000019929486 558309524 /nfs/dbraw/zinc/30/95/24/558309524.db2.gz DSYJIBCOAPZTJL-OAQYLSRUSA-N 1 0 423.513 3.319 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 ZINC000019929492 558309547 /nfs/dbraw/zinc/30/95/47/558309547.db2.gz HEUZECMPWPPWEI-OAQYLSRUSA-N 1 0 423.513 3.319 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000019955872 558315067 /nfs/dbraw/zinc/31/50/67/558315067.db2.gz UKOSKPGXVMBPLA-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000020190462 558344590 /nfs/dbraw/zinc/34/45/90/558344590.db2.gz RXLIWYMGOFPPLH-OAQYLSRUSA-N 1 0 424.497 3.152 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccn1 ZINC000020229679 558349857 /nfs/dbraw/zinc/34/98/57/558349857.db2.gz ZZHPCOGGDFWEBH-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000020357372 558357574 /nfs/dbraw/zinc/35/75/74/558357574.db2.gz LBNKRXDKBDGRMN-YCRPNKLZSA-N 1 0 424.497 3.441 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000020438728 558363569 /nfs/dbraw/zinc/36/35/69/558363569.db2.gz NCPKQGKXZFQRIX-OAQYLSRUSA-N 1 0 422.481 3.097 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1C ZINC000017044732 558812794 /nfs/dbraw/zinc/81/27/94/558812794.db2.gz FENCDWRFWMCUMI-SFHVURJKSA-N 1 0 400.500 3.205 50 30 HGEARO COc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000004961966 559217994 /nfs/dbraw/zinc/21/79/94/559217994.db2.gz ZICCXSHMKDTQNO-OAQYLSRUSA-O 1 0 408.865 3.363 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2OC)c(C)c1 ZINC000017180762 560703124 /nfs/dbraw/zinc/70/31/24/560703124.db2.gz ZSWQMZBDHXJZPO-OAQYLSRUSA-N 1 0 424.497 3.152 50 30 HGEARO CCOC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 ZINC000017247908 560704807 /nfs/dbraw/zinc/70/48/07/560704807.db2.gz GTVZKOOYETXYAK-UHFFFAOYSA-O 1 0 420.489 3.213 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccnc1 ZINC000102507913 560812854 /nfs/dbraw/zinc/81/28/54/560812854.db2.gz GISBSUOYPSQPFI-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)c(OC)c1 ZINC000102746535 560824082 /nfs/dbraw/zinc/82/40/82/560824082.db2.gz GJWHUONRWHZBQI-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)c2ccccc21 ZINC000102753566 560825788 /nfs/dbraw/zinc/82/57/88/560825788.db2.gz NTLYQTPBEWZDOV-YDJIHCHBSA-N 1 0 407.470 3.145 50 30 HGEARO C[NH+]1CCN(C[C@@H](O)Cn2cc(/C=C/C(=O)c3cccs3)c3ccccc32)CC1 ZINC000019901310 568585440 /nfs/dbraw/zinc/58/54/40/568585440.db2.gz NLFSPQOLYNNZJB-CSHXORCISA-N 1 0 409.555 3.207 50 30 HGEARO C[C@@H]1CC[C@H]2[C@@H](C[NH+]3CCN(Cc4ccccc4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000020412058 568605522 /nfs/dbraw/zinc/60/55/22/568605522.db2.gz VLXSIFXMPPOTIR-CHESVVJASA-N 1 0 424.585 3.330 50 30 biogenic HGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CC[NH+](C2CCCCC2)CC1 ZINC000020611907 568637608 /nfs/dbraw/zinc/63/76/08/568637608.db2.gz SCGHGLMSEZUDQE-IRXCLELFSA-N 1 0 416.606 3.464 50 30 biogenic HGEARO CC(C)([C@H](NC(=O)c1cn(CCCC#N)nn1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096011119 568684078 /nfs/dbraw/zinc/68/40/78/568684078.db2.gz ULSBNKMCHZZRMW-LJQANCHMSA-N 1 0 416.476 3.206 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)c1 ZINC000005799838 568735483 /nfs/dbraw/zinc/73/54/83/568735483.db2.gz ZXYKJZOXLYVMOA-NHFXJNLRSA-N 1 0 412.461 3.208 50 30 HGEARO CC(C)[C@H]1C[C@@](C)(C(=O)C[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001827432 568838280 /nfs/dbraw/zinc/83/82/80/568838280.db2.gz AXLCCDIAYJJACT-DOMZBBRYSA-N 1 0 420.121 3.046 50 30 HGEARO CC(C)C[C@@]1(C(=O)C[n+]2cc(Br)cc(Br)c2)CCC(=O)O1 ZINC000001834535 568838298 /nfs/dbraw/zinc/83/82/98/568838298.db2.gz RRGDUODYKDTUGY-OAHLLOKOSA-N 1 0 420.121 3.190 50 30 HGEARO C=CCOc1c(Br)cc(C[NH2+]CCCN2CCOCC2)cc1OCC ZINC000004670805 568862531 /nfs/dbraw/zinc/86/25/31/568862531.db2.gz AVADRRLRZGBMPD-UHFFFAOYSA-N 1 0 413.356 3.225 50 30 HGEARO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)CC1 ZINC000058229783 568901576 /nfs/dbraw/zinc/90/15/76/568901576.db2.gz NWLAHSLKFRSNAL-UHFFFAOYSA-N 1 0 408.550 3.184 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000059415319 568953328 /nfs/dbraw/zinc/95/33/28/568953328.db2.gz HZXWBBKUNZOOBZ-KAVBHCITSA-N 1 0 410.558 3.336 50 30 biogenic HGEARO N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000012785845 568960037 /nfs/dbraw/zinc/96/00/37/568960037.db2.gz KXVANDVIYPKVGC-UHFFFAOYSA-N 1 0 409.497 3.399 50 30 HGEARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(C#CC(C)(C)O)cc3)CC2)O1 ZINC000012190593 568993564 /nfs/dbraw/zinc/99/35/64/568993564.db2.gz NCFFTXKYHWMDRH-QFIPXVFZSA-N 1 0 412.574 3.095 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006787102 569122001 /nfs/dbraw/zinc/12/20/01/569122001.db2.gz WRAPKCFJUGOBFH-SELCWUDQSA-N 1 0 400.500 3.130 50 30 HGEARO C/C(=[NH+]\c1cc(C)cc(C)c1)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006922046 569182583 /nfs/dbraw/zinc/18/25/83/569182583.db2.gz IEQDYPAAEBJPTC-LTGZKZEYSA-N 1 0 404.492 3.172 50 30 HGEARO COCCC[NH+]=C(Nc1cccc(C(=O)[O-])c1)N1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000065308256 569220185 /nfs/dbraw/zinc/22/01/85/569220185.db2.gz FYRPMXHWUZFCPW-GOSISDBHSA-N 1 0 404.555 3.051 50 30 HGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccs1 ZINC000009271064 571244336 /nfs/dbraw/zinc/24/43/36/571244336.db2.gz NTEZRNYDLOSIKK-GOSISDBHSA-N 1 0 424.526 3.153 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NCc1ccc(C)cc1 ZINC000032777064 519176759 /nfs/dbraw/zinc/17/67/59/519176759.db2.gz YTWSKFRVRWCXEY-UHFFFAOYSA-N 1 0 413.591 3.209 50 30 HGEARO CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000019999610 521416214 /nfs/dbraw/zinc/41/62/14/521416214.db2.gz IZEOQXAJBWFAOD-GOSISDBHSA-N 1 0 400.500 3.287 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH3+])[C@H]2c2ccccc2Cl)cc1 ZINC000025180956 523553317 /nfs/dbraw/zinc/55/33/17/523553317.db2.gz KQKXVIZVNINZKN-SFHVURJKSA-N 1 0 400.862 3.276 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006812701 525382792 /nfs/dbraw/zinc/38/27/92/525382792.db2.gz KOIXPGCSJZUQFM-MRJHHRETSA-N 1 0 420.465 3.425 50 30 HGEARO O=C1C[C@@H](c2ccc(F)cc2)[C@@H](n2cncn2)C(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000033684536 527023463 /nfs/dbraw/zinc/02/34/63/527023463.db2.gz FXLNDTHFEDSOJP-VLCRHTCISA-N 1 0 404.445 3.414 50 30 HGEARO O=[N+]([O-])c1ccc(C(C[n+]2ccccc2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000104263915 527344624 /nfs/dbraw/zinc/34/46/24/527344624.db2.gz NOFRPCFRGPNYEB-DYTRJAOYSA-N 1 0 423.365 3.215 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000009460826 557843564 /nfs/dbraw/zinc/84/35/64/557843564.db2.gz MSLFIWKBUSKCCD-OAQYLSRUSA-N 1 0 423.513 3.399 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000019938545 558312883 /nfs/dbraw/zinc/31/28/83/558312883.db2.gz UOQCYYOJZRULBG-NRFANRHFSA-N 1 0 421.497 3.176 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000019939176 558313216 /nfs/dbraw/zinc/31/32/16/558313216.db2.gz WUQOHPHWAZFJCE-LJQANCHMSA-N 1 0 414.889 3.489 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020057685 558329031 /nfs/dbraw/zinc/32/90/31/558329031.db2.gz KQMKOOVXPOTFPG-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccncc1 ZINC000020119919 558337025 /nfs/dbraw/zinc/33/70/25/558337025.db2.gz AFLUOEZOHXDAHM-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccccn2)cc1 ZINC000020230417 558350160 /nfs/dbraw/zinc/35/01/60/558350160.db2.gz VJSACHIYNHZUMY-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO COc1cc(OC)c(-c2nc3c[n+](CC(=O)c4ccccc4)ccc3n2C)cc1OC ZINC000013154990 558524508 /nfs/dbraw/zinc/52/45/08/558524508.db2.gz ZTRZHWQBKZSVOF-UHFFFAOYSA-N 1 0 418.473 3.437 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)c2ccccc21 ZINC000013720539 558859077 /nfs/dbraw/zinc/85/90/77/558859077.db2.gz ZHPRNHWVMVLSQE-LJQANCHMSA-N 1 0 409.511 3.380 50 30 HGEARO COc1ccccc1N1C(=O)C[n+]2ccccc2[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000005006407 559227396 /nfs/dbraw/zinc/22/73/96/559227396.db2.gz GVMSZVLZAHOUHU-HSZRJFAPSA-O 1 0 402.474 3.326 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000005445165 560588072 /nfs/dbraw/zinc/58/80/72/560588072.db2.gz PPSFJQYNKZKHNU-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1 ZINC000005488556 560597636 /nfs/dbraw/zinc/59/76/36/560597636.db2.gz IISNAIHTIAVFER-NHFXJNLRSA-N 1 0 411.477 3.374 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102430321 560811030 /nfs/dbraw/zinc/81/10/30/560811030.db2.gz PPSFJQYNKZKHNU-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000102509147 560814862 /nfs/dbraw/zinc/81/48/62/560814862.db2.gz YVSBLJFOZPFKML-MRJHHRETSA-N 1 0 423.513 3.242 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1C ZINC000102931264 560835458 /nfs/dbraw/zinc/83/54/58/560835458.db2.gz QUNLFNDFSRECDV-WOOAAIBNSA-N 1 0 414.527 3.439 50 30 HGEARO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000028879581 568812414 /nfs/dbraw/zinc/81/24/14/568812414.db2.gz OZFRLNZQOKKOTN-UHFFFAOYSA-N 1 0 406.534 3.016 50 30 HGEARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)cc1OC ZINC000012586543 568995177 /nfs/dbraw/zinc/99/51/77/568995177.db2.gz SNROGGKIZSJWCO-JOCHJYFZSA-N 1 0 406.526 3.221 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000014749964 569003669 /nfs/dbraw/zinc/00/36/69/569003669.db2.gz SXXSMEFMUWTNQA-KRWDZBQOSA-N 1 0 414.550 3.044 50 30 HGEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169681668 569127801 /nfs/dbraw/zinc/12/78/01/569127801.db2.gz DGCFHJJFJWNOFP-GGAORHGYSA-N 1 0 410.514 3.254 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000006813305 569136832 /nfs/dbraw/zinc/13/68/32/569136832.db2.gz DDWXJCDFKKEVAG-UYTDBDHRSA-N 1 0 403.504 3.035 50 30 HGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccco3)oc21 ZINC000009271265 571244317 /nfs/dbraw/zinc/24/43/17/571244317.db2.gz KETFMFIJVRHGSS-LFVOPCPISA-N 1 0 424.453 3.408 50 30 HGEARO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000025686469 132486932 /nfs/dbraw/zinc/48/69/32/132486932.db2.gz HYGSRSFFVLOLQE-LJQANCHMSA-N 1 0 405.420 3.139 50 30 HGEARO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)Cc1cccs1 ZINC000035362708 518905158 /nfs/dbraw/zinc/90/51/58/518905158.db2.gz VIQMOAKVLWJCSQ-MRXNPFEDSA-N 1 0 401.532 3.202 50 30 HGEARO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCOc2ccc(OC)cc2)c(OC)c1 ZINC000024588216 519139438 /nfs/dbraw/zinc/13/94/38/519139438.db2.gz QTRGVJVIYZUYOX-IBGZPJMESA-N 1 0 401.503 3.183 50 30 HGEARO CC(C)[C@H]1C[C@](C)(C(=O)C[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001827430 519828080 /nfs/dbraw/zinc/82/80/80/519828080.db2.gz AXLCCDIAYJJACT-IUODEOHRSA-N 1 0 420.121 3.046 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccn2)cc1 ZINC000008742462 520329341 /nfs/dbraw/zinc/32/93/41/520329341.db2.gz CMDKTYYYJNGUMM-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccn1 ZINC000020219279 520660107 /nfs/dbraw/zinc/66/01/07/520660107.db2.gz VKHXEFPXGXHSIS-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1F ZINC000016729459 523551766 /nfs/dbraw/zinc/55/17/66/523551766.db2.gz WMRFMBMMBZSPAW-FQEVSTJZSA-N 1 0 412.461 3.364 50 30 HGEARO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000031225470 526275731 /nfs/dbraw/zinc/27/57/31/526275731.db2.gz QLMWFJBCCJSMDZ-UHFFFAOYSA-N 1 0 407.562 3.389 50 30 HGEARO CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](CC)CC1 ZINC000002394494 557344171 /nfs/dbraw/zinc/34/41/71/557344171.db2.gz ACIVIROIWGZWTE-GOSISDBHSA-N 1 0 409.534 3.358 50 30 HGEARO COc1ccc(CC(=[NH2+])NOC(=O)COc2ccc(C)cc2Br)cc1 ZINC000004551540 557566143 /nfs/dbraw/zinc/56/61/43/557566143.db2.gz POQXGUOEGHIDKR-UHFFFAOYSA-N 1 0 407.264 3.203 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000019884585 558301875 /nfs/dbraw/zinc/30/18/75/558301875.db2.gz DVXANZJXHDDMLS-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000020029658 558323948 /nfs/dbraw/zinc/32/39/48/558323948.db2.gz GNQUVDQWVHPFOY-OAQYLSRUSA-N 1 0 408.498 3.452 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccnc1 ZINC000020135215 558337454 /nfs/dbraw/zinc/33/74/54/558337454.db2.gz PAKKPQLZTRUBLQ-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000020229585 558349894 /nfs/dbraw/zinc/34/98/94/558349894.db2.gz DMCNJSXFFJEQLL-OAQYLSRUSA-N 1 0 421.497 3.176 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000020441137 558363424 /nfs/dbraw/zinc/36/34/24/558363424.db2.gz OAJWXZKHBYSJSS-JLTOFOAXSA-N 1 0 410.470 3.051 50 30 HGEARO COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000012468000 558421017 /nfs/dbraw/zinc/42/10/17/558421017.db2.gz FGDPBCAJJBRQIA-OAQYLSRUSA-N 1 0 424.497 3.158 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)s1 ZINC000004427899 558537466 /nfs/dbraw/zinc/53/74/66/558537466.db2.gz FOMCQMKECFUJPC-MRXNPFEDSA-N 1 0 403.479 3.039 50 30 HGEARO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3cc(OC)c(O)c(OC)c3)C2)n1C ZINC000299760167 558837540 /nfs/dbraw/zinc/83/75/40/558837540.db2.gz OAXHUXHBJVPZKQ-HNNXBMFYSA-N 1 0 404.536 3.196 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)c2ccccc21 ZINC000013683623 558854976 /nfs/dbraw/zinc/85/49/76/558854976.db2.gz XPDNAKDXYOJPEY-NRFANRHFSA-N 1 0 418.497 3.103 50 30 HGEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC000004881840 559196999 /nfs/dbraw/zinc/19/69/99/559196999.db2.gz RTGYLFBYWIQRKO-QHCPKHFHSA-O 1 0 402.474 3.326 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1 ZINC000101288220 560790733 /nfs/dbraw/zinc/79/07/33/560790733.db2.gz NDRHKOYNIPQXBC-LFVOPCPISA-N 1 0 412.511 3.296 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccco2)cc1 ZINC000102497943 560812496 /nfs/dbraw/zinc/81/24/96/560812496.db2.gz BDGWZPQWKZKSAL-YDJIHCHBSA-N 1 0 412.486 3.442 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102509862 560814845 /nfs/dbraw/zinc/81/48/45/560814845.db2.gz DHYHDHNNAWMUBB-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000102745346 560823992 /nfs/dbraw/zinc/82/39/92/560823992.db2.gz XGZXHBPTDQKSKW-SELCWUDQSA-N 1 0 418.490 3.269 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1C ZINC000103887086 560844916 /nfs/dbraw/zinc/84/49/16/560844916.db2.gz QBKMOBGMYGHQEA-MRJHHRETSA-N 1 0 424.497 3.083 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 ZINC000006787121 568459349 /nfs/dbraw/zinc/45/93/49/568459349.db2.gz NKQWEJPEDYXZCQ-NHFXJNLRSA-N 1 0 405.454 3.201 50 30 HGEARO O=C([O-])c1cccc(NC(=[NH+]C[C@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000046022122 568924285 /nfs/dbraw/zinc/92/42/85/568924285.db2.gz CPZGCXBJASSAEO-OAQYLSRUSA-N 1 0 414.550 3.091 50 30 HGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccccc3F)ccc2O1 ZINC000004037504 568935767 /nfs/dbraw/zinc/93/57/67/568935767.db2.gz YORFZOKUUKWPGU-SZNDQCEHSA-N 1 0 424.472 3.289 50 30 HGEARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(C#CC(C)(C)O)cc3)CC2)O1 ZINC000012190594 568993862 /nfs/dbraw/zinc/99/38/62/568993862.db2.gz NCFFTXKYHWMDRH-JOCHJYFZSA-N 1 0 412.574 3.095 50 30 HGEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1ccncc1)C2 ZINC000014543304 569002968 /nfs/dbraw/zinc/00/29/68/569002968.db2.gz XUSGFTJAVMRQIG-FQEVSTJZSA-N 1 0 407.562 3.170 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000014747979 569003504 /nfs/dbraw/zinc/00/35/04/569003504.db2.gz AWIVULKKLKWPED-GOSISDBHSA-N 1 0 402.608 3.428 50 30 HGEARO Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000020167041 569007939 /nfs/dbraw/zinc/00/79/39/569007939.db2.gz CNGGZDAJJXIPPE-NRFANRHFSA-N 1 0 422.481 3.172 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006160685 569015927 /nfs/dbraw/zinc/01/59/27/569015927.db2.gz VDTFMOICOZBPAL-JBCNATCCSA-N 1 0 406.482 3.235 50 30 HGEARO Cc1ccc(S(=O)(=O)O[C@@H]2C[N+]3(Cc4ccc([N+](=O)[O-])cc4)CCC2CC3)cc1 ZINC000001821012 569056279 /nfs/dbraw/zinc/05/62/79/569056279.db2.gz COYZJCMJAOUPMW-JRSYVHTFSA-N 1 0 417.507 3.418 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000006785227 569121565 /nfs/dbraw/zinc/12/15/65/569121565.db2.gz HUCQFNJLMPYIQD-GOBJLOIFSA-N 1 0 423.469 3.358 50 30 HGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000006787086 569121998 /nfs/dbraw/zinc/12/19/98/569121998.db2.gz CYUNVXNORQIOCE-YDJIHCHBSA-N 1 0 410.470 3.218 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000006812702 569136557 /nfs/dbraw/zinc/13/65/57/569136557.db2.gz OBHVMXHKYCPOKZ-MRJHHRETSA-N 1 0 420.465 3.425 50 30 HGEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccco1 ZINC000017124711 569275203 /nfs/dbraw/zinc/27/52/03/569275203.db2.gz ZVGNCGNVNCCMFW-LJQANCHMSA-N 1 0 422.485 3.074 50 30 HGEARO COc1ccc([C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000039936136 571135206 /nfs/dbraw/zinc/13/52/06/571135206.db2.gz WIRSZDUJZMZDFW-ZJSXRUAMSA-N 1 0 409.530 3.123 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)cc1Cl ZINC000009007764 571210056 /nfs/dbraw/zinc/21/00/56/571210056.db2.gz LUXCJJDCUNLYBA-GROYHEBESA-N 1 0 420.918 3.393 50 30 HGEARO CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC[C@H](O)CN1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000022785924 520683477 /nfs/dbraw/zinc/68/34/77/520683477.db2.gz OYORAXCOEWWKBH-WBQKWJQZSA-N 1 0 413.606 3.426 50 30 HGEARO OCCC#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000023373180 527529839 /nfs/dbraw/zinc/52/98/39/527529839.db2.gz QQUCIEHWBODFFZ-DEOSSOPVSA-N 1 0 421.560 3.346 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)o2)c1 ZINC000005409135 557651847 /nfs/dbraw/zinc/65/18/47/557651847.db2.gz AADUYNBUHAWUCA-HXUWFJFHSA-N 1 0 421.453 3.462 50 30 HGEARO CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008739972 557803617 /nfs/dbraw/zinc/80/36/17/557803617.db2.gz IBGMDLLAVHEKQO-SELCWUDQSA-N 1 0 400.500 3.130 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000019939134 558313173 /nfs/dbraw/zinc/31/31/73/558313173.db2.gz KAXPDURASNWMNN-FQEVSTJZSA-N 1 0 412.461 3.364 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019949617 558314809 /nfs/dbraw/zinc/31/48/09/558314809.db2.gz AUHFZAHUJDENCP-QGZVFWFLSA-N 1 0 415.471 3.186 50 30 HGEARO CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)c1 ZINC000019973901 558316803 /nfs/dbraw/zinc/31/68/03/558316803.db2.gz VCXMGMUSWNPPNW-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1 ZINC000020133175 558337309 /nfs/dbraw/zinc/33/73/09/558337309.db2.gz ZBFGFIIACQDZHM-FQEVSTJZSA-N 1 0 405.454 3.358 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)c1 ZINC000020149933 558340392 /nfs/dbraw/zinc/34/03/92/558340392.db2.gz QVQJDNIGSGIPTI-FQEVSTJZSA-N 1 0 412.461 3.364 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccncc1 ZINC000020150179 558340590 /nfs/dbraw/zinc/34/05/90/558340590.db2.gz SSQNAQXEDLDPTD-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000012969987 558488576 /nfs/dbraw/zinc/48/85/76/558488576.db2.gz SXMVBZBPXVTIPT-OAQYLSRUSA-N 1 0 423.513 3.399 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)c(C)c1 ZINC000017824650 558828072 /nfs/dbraw/zinc/82/80/72/558828072.db2.gz FGLFUVVZQWAHDS-GOSISDBHSA-N 1 0 400.500 3.205 50 30 HGEARO O=C1C[C@H](c2ccc(F)cc2)[C@H](n2cncn2)C(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000013571592 558844646 /nfs/dbraw/zinc/84/46/46/558844646.db2.gz FXLNDTHFEDSOJP-QIJUGHKUSA-N 1 0 404.445 3.414 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1 ZINC000013719367 558859339 /nfs/dbraw/zinc/85/93/39/558859339.db2.gz LJYDVBYPBDFQEN-FQEVSTJZSA-N 1 0 404.470 3.093 50 30 HGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccco1 ZINC000013723444 558860302 /nfs/dbraw/zinc/86/03/02/558860302.db2.gz PBVHMPFKMPOUKW-QGZVFWFLSA-N 1 0 404.850 3.082 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1F ZINC000013731221 558861042 /nfs/dbraw/zinc/86/10/42/558861042.db2.gz ZSXAYMPLMMLUQV-IBGZPJMESA-N 1 0 416.424 3.113 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1F ZINC000013729567 558861347 /nfs/dbraw/zinc/86/13/47/558861347.db2.gz KUNQMJPSGDCHOC-LJQANCHMSA-N 1 0 416.424 3.113 50 30 HGEARO CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NCCC2=C[NH2+][C@H]3C=CC=C[C@@H]23)C1=O ZINC000100853464 559141306 /nfs/dbraw/zinc/14/13/06/559141306.db2.gz YYNHUHDXGKLILK-LZBJPBGQSA-N 1 0 416.477 3.452 50 30 HGEARO Cc1cccc(C)c1NC(=O)[C@@H]1c2cccc[n+]2CC(=O)N1c1ccc2c(c1)OCO2 ZINC000004961979 559218018 /nfs/dbraw/zinc/21/80/18/559218018.db2.gz KVABYABAAGTHHR-QHCPKHFHSA-O 1 0 416.457 3.046 50 30 HGEARO COCc1cc(C)[nH+]c(NNC=C2C(C)=NN(c3cccc(Cl)c3)C2=O)c1C#N ZINC000005276997 560561663 /nfs/dbraw/zinc/56/16/63/560561663.db2.gz VQKLOXQZEUPDEC-VCHYOVAHSA-N 1 0 410.865 3.285 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000102622344 560818329 /nfs/dbraw/zinc/81/83/29/560818329.db2.gz PHSPKNPGSNJERP-NHFXJNLRSA-N 1 0 423.469 3.358 50 30 HGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102681708 560821244 /nfs/dbraw/zinc/82/12/44/560821244.db2.gz CMXLQCWLSHTVMJ-ZFGYKHQWSA-N 1 0 424.472 3.132 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)s1 ZINC000102856432 560830892 /nfs/dbraw/zinc/83/08/92/560830892.db2.gz PAGYKZBTHHEUBX-HVESIFNPSA-N 1 0 417.506 3.272 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)c(C)c1 ZINC000102876164 560831950 /nfs/dbraw/zinc/83/19/50/560831950.db2.gz TZASLSULUMOSKQ-MRJHHRETSA-N 1 0 408.498 3.377 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000102891985 560833066 /nfs/dbraw/zinc/83/30/66/560833066.db2.gz FPVOUGDCFKRZTL-JBCNATCCSA-N 1 0 408.498 3.457 50 30 HGEARO C=CC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CCC2 ZINC000002837615 568509308 /nfs/dbraw/zinc/50/93/08/568509308.db2.gz NQDYHDZKSATJKD-UHFFFAOYSA-N 1 0 415.515 3.220 50 30 HGEARO Cc1c(C#N)c2nc3ccccc3n2c(N2CC[NH+](CCO)CC2)c1CCC(C)C ZINC000020057805 568586644 /nfs/dbraw/zinc/58/66/44/568586644.db2.gz WCQTYRDPQXWAKF-UHFFFAOYSA-N 1 0 405.546 3.371 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1Cl ZINC000020281415 568596710 /nfs/dbraw/zinc/59/67/10/568596710.db2.gz MJWWQNWHIBPYME-SFHVURJKSA-N 1 0 418.877 3.390 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccncc1 ZINC000005799394 568734705 /nfs/dbraw/zinc/73/47/05/568734705.db2.gz YTUDRZXSSZWWRG-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccn1 ZINC000005799397 568734752 /nfs/dbraw/zinc/73/47/52/568734752.db2.gz ZQAIBOASDHQIJJ-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 ZINC000005799444 568735063 /nfs/dbraw/zinc/73/50/63/568735063.db2.gz YZOHAQZXSKUZMG-LFVOPCPISA-N 1 0 413.905 3.499 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c1 ZINC000005799879 568735234 /nfs/dbraw/zinc/73/52/34/568735234.db2.gz WJRRYGKHFIZPOS-LFVOPCPISA-N 1 0 414.889 3.332 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1Cl ZINC000005885000 568828288 /nfs/dbraw/zinc/82/82/88/568828288.db2.gz NYHDITIENBCKDG-GHNGSUTGSA-N 1 0 418.877 3.233 50 30 HGEARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000034890437 568831340 /nfs/dbraw/zinc/83/13/40/568831340.db2.gz DHBFYWMOMOKCJU-CABCVRRESA-N 1 0 403.548 3.348 50 30 HGEARO Cc1cc(C(=O)C[N+]23CCN(CC2)CC3)c(C)n1-c1ccc(Br)cc1 ZINC000012550914 568852914 /nfs/dbraw/zinc/85/29/14/568852914.db2.gz RXDZUJZHGZIWFU-UHFFFAOYSA-N 1 0 403.344 3.185 50 30 HGEARO C=CCn1cc(C[NH+]2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)c(C)n1 ZINC000072475077 568920602 /nfs/dbraw/zinc/92/06/02/568920602.db2.gz ASHRNHQPBWMASV-UHFFFAOYSA-N 1 0 410.518 3.243 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000004312652 568961094 /nfs/dbraw/zinc/96/10/94/568961094.db2.gz MKNDKSAMYPWHDD-LFVOPCPISA-N 1 0 400.425 3.338 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccnc1 ZINC000006078404 568993179 /nfs/dbraw/zinc/99/31/79/568993179.db2.gz FXYFBUNXQHUBFJ-JBCNATCCSA-N 1 0 423.513 3.162 50 30 HGEARO CCC[C@H]1C[C@@](C)(C(=O)C[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001827459 569056291 /nfs/dbraw/zinc/05/62/91/569056291.db2.gz CCCNVBSOVRUAME-BONVTDFDSA-N 1 0 420.121 3.190 50 30 HGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006564541 569066179 /nfs/dbraw/zinc/06/61/79/569066179.db2.gz FIPSOXDBDMSCHZ-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000006812708 569136669 /nfs/dbraw/zinc/13/66/69/569136669.db2.gz JUBQJSXVYIYEKS-MRJHHRETSA-N 1 0 406.482 3.235 50 30 HGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000017147592 569275606 /nfs/dbraw/zinc/27/56/06/569275606.db2.gz HSPWISAOGZUHPE-NRFANRHFSA-N 1 0 418.497 3.173 50 30 HGEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)ccc1OC(C)C ZINC000019972621 569281835 /nfs/dbraw/zinc/28/18/35/569281835.db2.gz DGOXDLDYNQVJAO-OAQYLSRUSA-N 1 0 423.513 3.317 50 30 HGEARO COc1cc(C#N)c(NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000004053086 132270126 /nfs/dbraw/zinc/27/01/26/132270126.db2.gz UAKZUQHKPNMRIT-UHFFFAOYSA-N 1 0 411.531 3.136 50 30 HGEARO C=CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036146978 518989032 /nfs/dbraw/zinc/98/90/32/518989032.db2.gz DGCFHJJFJWNOFP-JTHBVZDNSA-N 1 0 410.514 3.254 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccc(C#N)cc1 ZINC000032777030 519176253 /nfs/dbraw/zinc/17/62/53/519176253.db2.gz JEQCCCWAXGBPIG-UHFFFAOYSA-N 1 0 410.547 3.095 50 30 HGEARO CCC[C@@H]1CC(=O)O[C@]1(C)C(=O)C[n+]1cc(Br)cc(Br)c1 ZINC000012391600 520815594 /nfs/dbraw/zinc/81/55/94/520815594.db2.gz UMEARLHRZVIJDS-BMIGLBTASA-N 1 0 420.121 3.190 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000020029662 524109293 /nfs/dbraw/zinc/10/92/93/524109293.db2.gz RVKSKSWYMJBWPV-HXUWFJFHSA-N 1 0 424.497 3.152 50 30 HGEARO O=C(C[n+]1cccc(Br)c1)c1ccc(I)cc1 ZINC000001667001 557279540 /nfs/dbraw/zinc/27/95/40/557279540.db2.gz KQCZLUDDPQHZAJ-UHFFFAOYSA-N 1 0 403.037 3.224 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccnc1 ZINC000019973950 558317077 /nfs/dbraw/zinc/31/70/77/558317077.db2.gz BAQGLIJFVHBJBR-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)cc1OC ZINC000020190465 558344572 /nfs/dbraw/zinc/34/45/72/558344572.db2.gz RXLIWYMGOFPPLH-NRFANRHFSA-N 1 0 424.497 3.152 50 30 HGEARO Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000020357370 558357672 /nfs/dbraw/zinc/35/76/72/558357672.db2.gz LBNKRXDKBDGRMN-QVKFZJNVSA-N 1 0 424.497 3.441 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000013127695 558519308 /nfs/dbraw/zinc/51/93/08/558519308.db2.gz DNMQGRSOFVOOCC-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)o1 ZINC000005488684 560597659 /nfs/dbraw/zinc/59/76/59/560597659.db2.gz XEONTLQESITASS-WOOAAIBNSA-N 1 0 400.450 3.491 50 30 HGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000102170162 560808303 /nfs/dbraw/zinc/80/83/03/560808303.db2.gz IZWMYYJGJBUKMD-JBCNATCCSA-N 1 0 423.513 3.100 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 ZINC000102733017 560822659 /nfs/dbraw/zinc/82/26/59/560822659.db2.gz VFBXAKHAZADOHK-YDJIHCHBSA-N 1 0 405.454 3.201 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102711598 560822981 /nfs/dbraw/zinc/82/29/81/560822981.db2.gz FGLNVAHGVDVEQX-MRJHHRETSA-N 1 0 408.498 3.377 50 30 HGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(C(C)C)cc1 ZINC000102751698 560825568 /nfs/dbraw/zinc/82/55/68/560825568.db2.gz OEZYOTUCPLSDGK-MRJHHRETSA-N 1 0 424.545 3.144 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000102891983 560833090 /nfs/dbraw/zinc/83/30/90/560833090.db2.gz FPVOUGDCFKRZTL-MRJHHRETSA-N 1 0 408.498 3.457 50 30 HGEARO C=CCc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc(OC)c1OC ZINC000096007073 568683099 /nfs/dbraw/zinc/68/30/99/568683099.db2.gz ZPDILVIUFWPTFJ-JOCHJYFZSA-N 1 0 424.541 3.319 50 30 HGEARO C=CCc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc(OC)c1OC ZINC000096007074 568683202 /nfs/dbraw/zinc/68/32/02/568683202.db2.gz ZPDILVIUFWPTFJ-QFIPXVFZSA-N 1 0 424.541 3.319 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccn1 ZINC000005799467 568734984 /nfs/dbraw/zinc/73/49/84/568734984.db2.gz APOXRNFKOBAMMI-MRJHHRETSA-N 1 0 423.513 3.162 50 30 HGEARO O[C@@H](CON=C1c2ccccc2-c2ccccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000002700744 568801766 /nfs/dbraw/zinc/80/17/66/568801766.db2.gz CAGBFKSQJXQGCC-LJQANCHMSA-N 1 0 414.509 3.014 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH3+])[C@@H]2c2ccccc2Cl)cc1 ZINC000003766516 568868010 /nfs/dbraw/zinc/86/80/10/568868010.db2.gz KQKXVIZVNINZKN-GOSISDBHSA-N 1 0 400.862 3.276 50 30 HGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccccc3F)ccc2O1 ZINC000004037506 568935713 /nfs/dbraw/zinc/93/57/13/568935713.db2.gz YORFZOKUUKWPGU-QKKBWIMNSA-N 1 0 424.472 3.289 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014746192 569003661 /nfs/dbraw/zinc/00/36/61/569003661.db2.gz OWQLMAUPVKNKPE-SFHVURJKSA-N 1 0 414.550 3.044 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)o2)cc1 ZINC000006420827 569048753 /nfs/dbraw/zinc/04/87/53/569048753.db2.gz WPHHHLRRTFODFY-YDJIHCHBSA-N 1 0 410.470 3.136 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1 ZINC000006787123 569121922 /nfs/dbraw/zinc/12/19/22/569121922.db2.gz FHOJGSURKNCZMG-NHFXJNLRSA-N 1 0 405.454 3.201 50 30 HGEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000006787140 569121926 /nfs/dbraw/zinc/12/19/26/569121926.db2.gz CYUNVXNORQIOCE-NHFXJNLRSA-N 1 0 410.470 3.218 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006812676 569136574 /nfs/dbraw/zinc/13/65/74/569136574.db2.gz JGIOIOWPGXDMTK-HVESIFNPSA-N 1 0 415.471 3.030 50 30 HGEARO CN1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000253415689 569367093 /nfs/dbraw/zinc/36/70/93/569367093.db2.gz DXJIPLBMCOOURS-XLIONFOSSA-N 1 0 404.848 3.463 50 30 HGEARO Cc1c(C[NH+]2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)cc(C#N)n1C ZINC000072463768 569384193 /nfs/dbraw/zinc/38/41/93/569384193.db2.gz LTOXSHJEBNKERS-UHFFFAOYSA-N 1 0 408.502 3.071 50 30 HGEARO C#CCN1CC[C@@H]([NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CCC1=O ZINC000020774985 518270998 /nfs/dbraw/zinc/27/09/98/518270998.db2.gz HNUFBKPNGTWQCQ-DEOSSOPVSA-N 1 0 401.554 3.408 50 30 HGEARO CCOCCCn1cnc2c[n+](CC(=O)c3ccccc3)cc(Br)c21 ZINC000001834598 519901133 /nfs/dbraw/zinc/90/11/33/519901133.db2.gz IXCWAGOQXZQRBA-UHFFFAOYSA-N 1 0 403.300 3.396 50 30 HGEARO COc1ccc([C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)N2CCOCC2)cc1 ZINC000022798841 525362210 /nfs/dbraw/zinc/36/22/10/525362210.db2.gz XADJJYWVVPZTSJ-DEOSSOPVSA-N 1 0 408.546 3.208 50 30 HGEARO C[C@@](C#N)(NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000022876252 525737749 /nfs/dbraw/zinc/73/77/49/525737749.db2.gz NZQUMDYGZBITRO-VWLOTQADSA-N 1 0 402.542 3.202 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102862735 526688370 /nfs/dbraw/zinc/68/83/70/526688370.db2.gz KVDAEOVETOMLBB-IBOXJLQUSA-N 1 0 419.934 3.397 50 30 HGEARO [NH2+]=C(CCS(=O)(=O)c1ccc(Cl)cc1)NOC(=O)c1ccccc1Cl ZINC000004389469 557550670 /nfs/dbraw/zinc/55/06/70/557550670.db2.gz IEQMUGNJCJBNEF-UHFFFAOYSA-N 1 0 401.271 3.286 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000019972580 558316261 /nfs/dbraw/zinc/31/62/61/558316261.db2.gz MWJBZKRQYYUPKJ-OAQYLSRUSA-N 1 0 408.498 3.452 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccncc1 ZINC000019972614 558316342 /nfs/dbraw/zinc/31/63/42/558316342.db2.gz SWKDMCAXFFPLAU-NRFANRHFSA-N 1 0 423.513 3.319 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccccn1 ZINC000020029250 558323652 /nfs/dbraw/zinc/32/36/52/558323652.db2.gz YLHQWILBEFSBNQ-QGZVFWFLSA-N 1 0 414.531 3.075 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020057756 558329023 /nfs/dbraw/zinc/32/90/23/558329023.db2.gz BMBDYVMZOZAUHG-HXUWFJFHSA-N 1 0 412.461 3.364 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2OC)c1 ZINC000020149895 558340383 /nfs/dbraw/zinc/34/03/83/558340383.db2.gz WJODJSJPSWQRHP-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020264773 558352570 /nfs/dbraw/zinc/35/25/70/558352570.db2.gz XPELIZIFTLZBHY-FQEVSTJZSA-N 1 0 410.470 3.374 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000013548067 558538462 /nfs/dbraw/zinc/53/84/62/558538462.db2.gz QKPHFEANDPSSJI-HXUWFJFHSA-N 1 0 423.469 3.433 50 30 HGEARO C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013572115 558844660 /nfs/dbraw/zinc/84/46/60/558844660.db2.gz WQMGCNYUPXJMEE-UCDDGIFISA-N 1 0 413.541 3.435 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005576874 560624706 /nfs/dbraw/zinc/62/47/06/560624706.db2.gz WDQTYNPGBMZAGY-LFVOPCPISA-N 1 0 414.889 3.332 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000005595800 560628379 /nfs/dbraw/zinc/62/83/79/560628379.db2.gz ZLEYTPTVCILWQX-JBCNATCCSA-N 1 0 408.498 3.377 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccncc1 ZINC000102530508 560813254 /nfs/dbraw/zinc/81/32/54/560813254.db2.gz YOQQRDGEUCLNRF-MRJHHRETSA-N 1 0 423.513 3.162 50 30 HGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccccc3F)ccc2O1 ZINC000102626647 560818515 /nfs/dbraw/zinc/81/85/15/560818515.db2.gz CMXLQCWLSHTVMJ-QZKVPLAPSA-N 1 0 424.472 3.132 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)c2ccccc21 ZINC000102748995 560824337 /nfs/dbraw/zinc/82/43/37/560824337.db2.gz NEFFNCMCAABGLQ-WOOAAIBNSA-N 1 0 409.511 3.223 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)cc1F ZINC000102754657 560825853 /nfs/dbraw/zinc/82/58/53/560825853.db2.gz XALQKVCBITZMGS-GHNGSUTGSA-N 1 0 418.490 3.269 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000102888663 560832862 /nfs/dbraw/zinc/83/28/62/560832862.db2.gz KKKGATNDSCVBMX-MRJHHRETSA-N 1 0 424.497 3.164 50 30 HGEARO COc1ccc([C@@H]2CC(=O)C([C@@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2n2cncn2)cc1 ZINC000106347319 560890454 /nfs/dbraw/zinc/89/04/54/560890454.db2.gz DSUPBOWGYAQECD-WWPVKYPJSA-N 1 0 416.481 3.284 50 30 HGEARO CC1=C2[C@H]3OC(=O)[C@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020111334 568588802 /nfs/dbraw/zinc/58/88/02/568588802.db2.gz ZCYXRKNXQNMCGQ-IMBWNBOCSA-N 1 0 420.553 3.218 50 30 biogenic HGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020111361 568588823 /nfs/dbraw/zinc/58/88/23/568588823.db2.gz GYITWWJGOHLJSX-FAXZPQNASA-N 1 0 424.585 3.331 50 30 biogenic HGEARO Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000020219488 568595009 /nfs/dbraw/zinc/59/50/09/568595009.db2.gz CJVYDXRTBQAEHY-MRXNPFEDSA-N 1 0 403.504 3.191 50 30 HGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000020263803 568596446 /nfs/dbraw/zinc/59/64/46/568596446.db2.gz ZCRIKBNOBAZITG-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3cc(C)c(C)cc3O)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000020309919 568598488 /nfs/dbraw/zinc/59/84/88/568598488.db2.gz DCRJSYHFTMMITL-OAQYLSRUSA-N 1 0 424.497 3.158 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)c1 ZINC000005799816 568734954 /nfs/dbraw/zinc/73/49/54/568734954.db2.gz BMCSVYFJOZCOPV-YDJIHCHBSA-N 1 0 412.461 3.208 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccccn2)cc1 ZINC000005799459 568734979 /nfs/dbraw/zinc/73/49/79/568734979.db2.gz FMLJWDIMCKVBHR-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO COC(=O)c1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc1/[NH+]=C/N(C)C ZINC000004053244 568880728 /nfs/dbraw/zinc/88/07/28/568880728.db2.gz RDNOQIDGTUYQSY-UDWIEESQSA-N 1 0 407.927 3.131 50 30 HGEARO C=CCOc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000012583729 568995364 /nfs/dbraw/zinc/99/53/64/568995364.db2.gz NQKBBPUXHOINFQ-IBGZPJMESA-N 1 0 410.518 3.260 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1Cl ZINC000013131069 568997685 /nfs/dbraw/zinc/99/76/85/568997685.db2.gz KDCMMDSMXDJZQG-IBGZPJMESA-N 1 0 414.889 3.489 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000014746191 569003623 /nfs/dbraw/zinc/00/36/23/569003623.db2.gz OWQLMAUPVKNKPE-GOSISDBHSA-N 1 0 414.550 3.044 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006787104 569121947 /nfs/dbraw/zinc/12/19/47/569121947.db2.gz JGIOIOWPGXDMTK-GROYHEBESA-N 1 0 415.471 3.030 50 30 HGEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)ccc1OC(C)C ZINC000019972622 569281964 /nfs/dbraw/zinc/28/19/64/569281964.db2.gz DGOXDLDYNQVJAO-NRFANRHFSA-N 1 0 423.513 3.317 50 30 HGEARO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000242183936 569315166 /nfs/dbraw/zinc/31/51/66/569315166.db2.gz XDDDSUSLMDGNRB-NJDAHSKKSA-N 1 0 407.518 3.088 50 30 HGEARO CC1=C2[C@H]3OC(=O)[C@H](C[N@@H+](C)[C@@H](C)[C@@H](O)c4ccccc4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000012658134 569402410 /nfs/dbraw/zinc/40/24/10/569402410.db2.gz RPDUTZMLPJVYHS-CMFCGQGCSA-N 1 0 409.526 3.454 50 30 biogenic HGEARO C[N@@H+]1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc2C1 ZINC000019597394 569424977 /nfs/dbraw/zinc/42/49/77/569424977.db2.gz NVTSBFYIXCBIQC-UHFFFAOYSA-N 1 0 423.567 3.484 50 30 HGEARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)COc2ccccc2C#N)CC1 ZINC000012558231 132363921 /nfs/dbraw/zinc/36/39/21/132363921.db2.gz XXEBBDJVWAXKOL-UHFFFAOYSA-N 1 0 418.419 3.346 50 30 HGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146541 518306614 /nfs/dbraw/zinc/30/66/14/518306614.db2.gz NBQITXLQAONDQJ-VXKWHMMOSA-N 1 0 412.917 3.346 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000032777011 519175420 /nfs/dbraw/zinc/17/54/20/519175420.db2.gz IZWAJAULLGCABV-GOSISDBHSA-N 1 0 413.591 3.462 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000032777074 519176388 /nfs/dbraw/zinc/17/63/88/519176388.db2.gz DLMXZMAIZMFQHZ-ROUUACIJSA-N 1 0 405.612 3.280 50 30 HGEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000022919891 519330794 /nfs/dbraw/zinc/33/07/94/519330794.db2.gz TZJJEOZLNGQEHO-DEOSSOPVSA-N 1 0 410.533 3.017 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000102509158 519778203 /nfs/dbraw/zinc/77/82/03/519778203.db2.gz YVSBLJFOZPFKML-JBCNATCCSA-N 1 0 423.513 3.242 50 30 HGEARO COc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000004680661 557580616 /nfs/dbraw/zinc/58/06/16/557580616.db2.gz GIYFFKWGKWPSPP-UHFFFAOYSA-N 1 0 413.655 3.354 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000006781925 557720759 /nfs/dbraw/zinc/72/07/59/557720759.db2.gz QJCXFMDBDYOGAF-HXUWFJFHSA-N 1 0 409.486 3.009 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019884507 558301947 /nfs/dbraw/zinc/30/19/47/558301947.db2.gz GJPZLWRSUGSUBD-IBGZPJMESA-N 1 0 409.442 3.125 50 30 HGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccs3)ccc2O1 ZINC000019938495 558312910 /nfs/dbraw/zinc/31/29/10/558312910.db2.gz KRIHLUTWFKNWKV-DJJJIMSYSA-N 1 0 412.511 3.211 50 30 HGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000019999598 558317863 /nfs/dbraw/zinc/31/78/63/558317863.db2.gz HWNBEBPBXBGPFE-LJQANCHMSA-N 1 0 412.511 3.453 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2)c1 ZINC000020133163 558337272 /nfs/dbraw/zinc/33/72/72/558337272.db2.gz REZZCYOURUGSLE-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000013127219 558519102 /nfs/dbraw/zinc/51/91/02/558519102.db2.gz YAFIUYBQXMHLKW-NRFANRHFSA-N 1 0 423.513 3.256 50 30 HGEARO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3cc(OC)c(O)c(OC)c3)C2)n1C ZINC000299760170 558837585 /nfs/dbraw/zinc/83/75/85/558837585.db2.gz OAXHUXHBJVPZKQ-OAHLLOKOSA-N 1 0 404.536 3.196 50 30 HGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Cl)cc1 ZINC000013721957 558859062 /nfs/dbraw/zinc/85/90/62/558859062.db2.gz OXGZZECNTZXIDR-SFHVURJKSA-N 1 0 416.909 3.210 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(F)c2)cc1F ZINC000013719777 558859492 /nfs/dbraw/zinc/85/94/92/558859492.db2.gz YFIWOETXQBMGEK-LJQANCHMSA-N 1 0 416.424 3.113 50 30 HGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccco1 ZINC000013723447 558860285 /nfs/dbraw/zinc/86/02/85/558860285.db2.gz PBVHMPFKMPOUKW-KRWDZBQOSA-N 1 0 404.850 3.082 50 30 HGEARO CO[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082008 559049068 /nfs/dbraw/zinc/04/90/68/559049068.db2.gz ABONCZHBUIBPGO-OALUTQOASA-N 1 0 403.523 3.331 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1 ZINC000005488547 560597641 /nfs/dbraw/zinc/59/76/41/560597641.db2.gz IISNAIHTIAVFER-YDJIHCHBSA-N 1 0 411.477 3.374 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 ZINC000005564221 560615724 /nfs/dbraw/zinc/61/57/24/560615724.db2.gz NAWCHYGPAKNFFV-WOOAAIBNSA-N 1 0 413.905 3.499 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102509104 560814829 /nfs/dbraw/zinc/81/48/29/560814829.db2.gz SGOOHTCWUHRINS-NHFXJNLRSA-N 1 0 423.469 3.277 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102711605 560823018 /nfs/dbraw/zinc/82/30/18/560823018.db2.gz FGLNVAHGVDVEQX-JBCNATCCSA-N 1 0 408.498 3.377 50 30 HGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102865686 560832728 /nfs/dbraw/zinc/83/27/28/560832728.db2.gz CTFDHMNFBAHRSC-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1C ZINC000102931268 560835396 /nfs/dbraw/zinc/83/53/96/560835396.db2.gz QUNLFNDFSRECDV-LFVOPCPISA-N 1 0 414.527 3.439 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccn1 ZINC000020192475 568593709 /nfs/dbraw/zinc/59/37/09/568593709.db2.gz AYLAULNEYBOWAR-NRFANRHFSA-N 1 0 423.513 3.319 50 30 HGEARO COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NC2CCCC2)cn1 ZINC000096309796 568673964 /nfs/dbraw/zinc/67/39/64/568673964.db2.gz LAHBSYGCYBNNSM-QHCPKHFHSA-N 1 0 420.517 3.339 50 30 biogenic HGEARO CCC[C@H]1CC(=O)O[C@@]1(C)C(=O)C[n+]1cc(Br)cc(Br)c1 ZINC000012391599 568695980 /nfs/dbraw/zinc/69/59/80/568695980.db2.gz UMEARLHRZVIJDS-ZUZCIYMTSA-N 1 0 420.121 3.190 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)c1 ZINC000005799812 568734964 /nfs/dbraw/zinc/73/49/64/568734964.db2.gz ZXYKJZOXLYVMOA-YDJIHCHBSA-N 1 0 412.461 3.208 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccco1 ZINC000005799419 568735005 /nfs/dbraw/zinc/73/50/05/568735005.db2.gz QRAKCIYKUYRRAJ-NHFXJNLRSA-N 1 0 412.486 3.442 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000005799808 568735043 /nfs/dbraw/zinc/73/50/43/568735043.db2.gz LLAHOBXYJROYBD-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)o2)cc1Cl ZINC000005884931 568828230 /nfs/dbraw/zinc/82/82/30/568828230.db2.gz NYHDITIENBCKDG-SELCWUDQSA-N 1 0 418.877 3.233 50 30 HGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@H]3O[C@@]312 ZINC000004084333 568939723 /nfs/dbraw/zinc/93/97/23/568939723.db2.gz OBUBCWVJPUPRGV-UGRYOAFYSA-N 1 0 416.606 3.462 50 30 biogenic HGEARO C[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000008036349 568969825 /nfs/dbraw/zinc/96/98/25/568969825.db2.gz YTPFRDGVDWSSNF-KRWDZBQOSA-N 1 0 405.292 3.071 50 30 HGEARO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC(=O)N(CCOc3ccc(F)cc3)CC2)cc1 ZINC000012456901 568994938 /nfs/dbraw/zinc/99/49/38/568994938.db2.gz LULKCTZAHOQHKS-UHFFFAOYSA-N 1 0 424.516 3.061 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000006187663 569029591 /nfs/dbraw/zinc/02/95/91/569029591.db2.gz DGOWRSKIBXWCKW-YDJIHCHBSA-N 1 0 410.470 3.218 50 30 HGEARO CCCC[C@]1(C(=O)C[n+]2cc(Br)cc(Br)c2)CCC(=O)O1 ZINC000001809883 569053738 /nfs/dbraw/zinc/05/37/38/569053738.db2.gz PJCBYLZCZMADEJ-OAHLLOKOSA-N 1 0 420.121 3.334 50 30 HGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006783459 569120707 /nfs/dbraw/zinc/12/07/07/569120707.db2.gz QTGUPLGOOLZWQQ-YDJIHCHBSA-N 1 0 412.486 3.360 50 30 HGEARO CCOC(=O)c1c(N=Cc2cc([N+](=O)[O-])cc(OC)c2[O-])sc2c1CCN(C)C2 ZINC000252680122 569319940 /nfs/dbraw/zinc/31/99/40/569319940.db2.gz WDWARICSDFMDCS-UHFFFAOYSA-N 1 0 419.459 3.286 50 30 HGEARO C=CC[NH+](CC=C)[C@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C ZINC000032829517 518772178 /nfs/dbraw/zinc/77/21/78/518772178.db2.gz ANGRSARWDSRUES-OAQYLSRUSA-N 1 0 416.522 3.178 50 30 HGEARO C=CCc1cc(C[NH+]2CCN(CCOc3ccc(OC)cc3)CC2)c(O)c(OC)c1 ZINC000022912126 519129823 /nfs/dbraw/zinc/12/98/23/519129823.db2.gz JQGDBRIMTZBYSY-UHFFFAOYSA-N 1 0 412.530 3.335 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NC1CCCCCC1 ZINC000032777032 519176343 /nfs/dbraw/zinc/17/63/43/519176343.db2.gz OBXSCSAGVNITHV-UHFFFAOYSA-N 1 0 405.612 3.424 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000032776982 519177692 /nfs/dbraw/zinc/17/76/92/519177692.db2.gz HCIAUJATXNQYIC-UHFFFAOYSA-N 1 0 415.563 3.232 50 30 HGEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102524861 520466642 /nfs/dbraw/zinc/46/66/42/520466642.db2.gz GNGMEXJSEWPCJZ-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO COc1cc(C[NH2+]Cc2ccccc2)cc(I)c1OCC#N ZINC000002741107 557375455 /nfs/dbraw/zinc/37/54/55/557375455.db2.gz WEROIUFEDPERBK-UHFFFAOYSA-N 1 0 408.239 3.492 50 30 HGEARO O=C1C[C@@H](c2ccc(F)cc2)[C@H](n2cncn2)C(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000004024451 557505531 /nfs/dbraw/zinc/50/55/31/557505531.db2.gz FXLNDTHFEDSOJP-NYVOZVTQSA-N 1 0 404.445 3.414 50 30 HGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)c1 ZINC000019973847 558316789 /nfs/dbraw/zinc/31/67/89/558316789.db2.gz TVNHSZHOSLTFPX-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020228383 558349599 /nfs/dbraw/zinc/34/95/99/558349599.db2.gz GSLORYUWICBZOD-LJQANCHMSA-N 1 0 412.511 3.453 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000013216269 558526222 /nfs/dbraw/zinc/52/62/22/558526222.db2.gz NPXMDFOWJDGDQK-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000017750863 558828010 /nfs/dbraw/zinc/82/80/10/558828010.db2.gz XDAOGJSWUKDEDK-OAQYLSRUSA-N 1 0 424.497 3.152 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000018087804 558831009 /nfs/dbraw/zinc/83/10/09/558831009.db2.gz BUNFAOMYMMJAPL-HXUWFJFHSA-N 1 0 412.461 3.364 50 30 HGEARO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3cc(OC)c(OC)cc3OC)C2)n1C ZINC000299766831 558841614 /nfs/dbraw/zinc/84/16/14/558841614.db2.gz SITURGQVSLAHAE-OAHLLOKOSA-N 1 0 418.563 3.499 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)c2ccccc21 ZINC000013683627 558854954 /nfs/dbraw/zinc/85/49/54/558854954.db2.gz XPDNAKDXYOJPEY-OAQYLSRUSA-N 1 0 418.497 3.103 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)c2ccccc21 ZINC000013719131 558859347 /nfs/dbraw/zinc/85/93/47/558859347.db2.gz IYGPXVUMLXFMAK-OAQYLSRUSA-N 1 0 418.497 3.103 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1F ZINC000013719546 558859488 /nfs/dbraw/zinc/85/94/88/558859488.db2.gz INXSVOYJDJBNOC-KRWDZBQOSA-N 1 0 404.463 3.036 50 30 HGEARO [NH2+]=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2cccc(Br)c2)C1=O ZINC000100512743 559136146 /nfs/dbraw/zinc/13/61/46/559136146.db2.gz SPKHIEALBDGRFS-AWEZNQCLSA-N 1 0 404.289 3.461 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000005408690 560583748 /nfs/dbraw/zinc/58/37/48/560583748.db2.gz FONVHHZIRQQHHQ-NHFXJNLRSA-N 1 0 412.461 3.208 50 30 HGEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000101313407 560791535 /nfs/dbraw/zinc/79/15/35/560791535.db2.gz KRPGDJGEQLAZSR-MRJHHRETSA-N 1 0 424.472 3.374 50 30 HGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102496637 560812357 /nfs/dbraw/zinc/81/23/57/560812357.db2.gz BEZRPWPJPFVGLK-MRJHHRETSA-N 1 0 408.498 3.459 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102516146 560815453 /nfs/dbraw/zinc/81/54/53/560815453.db2.gz YVDWZBDCBLRGNR-WOOAAIBNSA-N 1 0 413.905 3.499 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102723223 560821622 /nfs/dbraw/zinc/82/16/22/560821622.db2.gz SUAWPBREOOHMTQ-SELCWUDQSA-N 1 0 400.500 3.130 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)s1 ZINC000102876227 560832674 /nfs/dbraw/zinc/83/26/74/560832674.db2.gz KTZQDSPGJPZZKY-HVESIFNPSA-N 1 0 417.506 3.272 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102866721 560832710 /nfs/dbraw/zinc/83/27/10/560832710.db2.gz AXBZPGMXCLMLJO-YDJIHCHBSA-N 1 0 412.461 3.126 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)s1 ZINC000102933253 560835536 /nfs/dbraw/zinc/83/55/36/560835536.db2.gz SKSZNLZTIQTTMG-DPEHCCBOSA-N 1 0 405.545 3.195 50 30 HGEARO Cc1oc2ncn(CCC[NH+]3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(C#N)cc1 ZINC000096134215 568702068 /nfs/dbraw/zinc/70/20/68/568702068.db2.gz WFDOVZYYMIJVNI-UHFFFAOYSA-N 1 0 419.485 3.298 50 30 HGEARO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000028961991 568813709 /nfs/dbraw/zinc/81/37/09/568813709.db2.gz GHSKXVZFLWTETM-UHFFFAOYSA-N 1 0 406.534 3.016 50 30 HGEARO CC1=C2[C@H]3OC(=O)[C@@H](C[N@@H+](C)[C@@H](C)[C@@H](O)c4ccccc4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000004027252 568878368 /nfs/dbraw/zinc/87/83/68/568878368.db2.gz RPDUTZMLPJVYHS-RMTAFTADSA-N 1 0 409.526 3.454 50 30 biogenic HGEARO C=C1CC[C@H]2[C@@H](C[NH+]3CCN(c4ccccc4)CC3)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H]1O[C@]12C ZINC000059408685 568952894 /nfs/dbraw/zinc/95/28/94/568952894.db2.gz JQLKAAOKGOHJGL-BILOGZCBSA-N 1 0 408.542 3.110 50 30 biogenic HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014733039 569003583 /nfs/dbraw/zinc/00/35/83/569003583.db2.gz FXWJSXWXARUOGT-GOSISDBHSA-N 1 0 414.550 3.044 50 30 HGEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000006564851 569066206 /nfs/dbraw/zinc/06/62/06/569066206.db2.gz OMDXSNGGCHRAFS-JBCNATCCSA-N 1 0 406.482 3.235 50 30 HGEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000006564855 569066231 /nfs/dbraw/zinc/06/62/31/569066231.db2.gz OMDXSNGGCHRAFS-MRJHHRETSA-N 1 0 406.482 3.235 50 30 HGEARO C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000195423617 569311103 /nfs/dbraw/zinc/31/11/03/569311103.db2.gz WQMGCNYUPXJMEE-OJJQZRKESA-N 1 0 413.541 3.435 50 30 HGEARO CCOC(=O)c1sc(N)c(C#N)c1CN1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000252669836 569319257 /nfs/dbraw/zinc/31/92/57/569319257.db2.gz IUFBFCXCBJDTAV-IEZWGBDMSA-N 1 0 410.543 3.113 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1 ZINC000008837637 571123475 /nfs/dbraw/zinc/12/34/75/571123475.db2.gz PXFQOWWPGUHOPA-JBCNATCCSA-N 1 0 424.472 3.374 50 30 HGEARO COc1ccc([C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000039936135 571135095 /nfs/dbraw/zinc/13/50/95/571135095.db2.gz WIRSZDUJZMZDFW-URXFXBBRSA-N 1 0 409.530 3.123 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009067799 571218311 /nfs/dbraw/zinc/21/83/11/571218311.db2.gz ZAVDZSVJTPOYPP-JBCNATCCSA-N 1 0 424.472 3.374 50 30 HGEARO C#CCN(CC=C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000055089272 518257644 /nfs/dbraw/zinc/25/76/44/518257644.db2.gz NIOWCSISURHIAX-QFIPXVFZSA-N 1 0 400.563 3.322 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccnc1 ZINC000020171624 520603119 /nfs/dbraw/zinc/60/31/19/520603119.db2.gz YYFVWUCDZREARK-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000102878383 520841889 /nfs/dbraw/zinc/84/18/89/520841889.db2.gz HIRNIIDINWZAOS-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc([C@@H]2CC(=O)C([C@H]3[NH2+]CCc4ccccc43)C(=O)[C@H]2n2cncn2)cc1 ZINC000036025378 525228692 /nfs/dbraw/zinc/22/86/92/525228692.db2.gz DSUPBOWGYAQECD-VJBMBRPKSA-N 1 0 416.481 3.284 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c1 ZINC000020150171 525781431 /nfs/dbraw/zinc/78/14/31/525781431.db2.gz QLJGKPYGJXPIES-HXUWFJFHSA-N 1 0 412.461 3.364 50 30 HGEARO O=S(=O)(c1cccs1)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000096310046 527293934 /nfs/dbraw/zinc/29/39/34/527293934.db2.gz TWTPGKSQGPHZGA-IBGZPJMESA-N 1 0 417.560 3.155 50 30 biogenic HGEARO OCCC#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000023373177 527530573 /nfs/dbraw/zinc/53/05/73/527530573.db2.gz QQUCIEHWBODFFZ-XMMPIXPASA-N 1 0 421.560 3.346 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019882762 558301496 /nfs/dbraw/zinc/30/14/96/558301496.db2.gz PZSLPCRHWBWQTK-LJQANCHMSA-N 1 0 409.442 3.125 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccncc1 ZINC000019973945 558317032 /nfs/dbraw/zinc/31/70/32/558317032.db2.gz ALANPOZZBHERQI-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)c1 ZINC000020133158 558337290 /nfs/dbraw/zinc/33/72/90/558337290.db2.gz REZZCYOURUGSLE-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC000020171240 558343564 /nfs/dbraw/zinc/34/35/64/558343564.db2.gz PVOKUPQJDQQILK-IBGZPJMESA-N 1 0 412.511 3.453 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)cc1Cl ZINC000017137743 558823597 /nfs/dbraw/zinc/82/35/97/558823597.db2.gz NGTASPXKCBACGA-GOSISDBHSA-N 1 0 418.877 3.472 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)c2ccccc21 ZINC000013727108 558859814 /nfs/dbraw/zinc/85/98/14/558859814.db2.gz KYOBONJOAVHJFG-HXUWFJFHSA-N 1 0 407.470 3.301 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000013728049 558860962 /nfs/dbraw/zinc/86/09/62/558860962.db2.gz RLJJRIWARMBGEB-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO COc1cc(CN2CCC(C#N)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095523556 559085593 /nfs/dbraw/zinc/08/55/93/559085593.db2.gz RFZRMGSIJOHQNK-NRFANRHFSA-N 1 0 401.551 3.046 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)c(C)c1 ZINC000017196387 560703787 /nfs/dbraw/zinc/70/37/87/560703787.db2.gz XYHXJTSZPXBVFO-OAQYLSRUSA-N 1 0 424.497 3.239 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)s1 ZINC000018212339 560784675 /nfs/dbraw/zinc/78/46/75/560784675.db2.gz AYSRBHSVVDUWEG-KRWDZBQOSA-N 1 0 417.506 3.429 50 30 HGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000102170156 560808305 /nfs/dbraw/zinc/80/83/05/560808305.db2.gz IZWMYYJGJBUKMD-MRJHHRETSA-N 1 0 423.513 3.100 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102491001 560812126 /nfs/dbraw/zinc/81/21/26/560812126.db2.gz DGIAPAGFYAPFEH-NHFXJNLRSA-N 1 0 412.461 3.208 50 30 HGEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccccc3F)ccc2O1 ZINC000102626652 560818540 /nfs/dbraw/zinc/81/85/40/560818540.db2.gz CMXLQCWLSHTVMJ-YHSLPNTHSA-N 1 0 424.472 3.132 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000102888589 560832833 /nfs/dbraw/zinc/83/28/33/560832833.db2.gz SHDMWGKQOLEQBA-MRJHHRETSA-N 1 0 424.497 3.163 50 30 HGEARO C[NH+]1CCN(C[C@H](O)Cn2cc(/C=C/C(=O)c3cccs3)c3ccccc32)CC1 ZINC000019901312 568585453 /nfs/dbraw/zinc/58/54/53/568585453.db2.gz NLFSPQOLYNNZJB-SGQUHAKNSA-N 1 0 409.555 3.207 50 30 HGEARO CC1=C2[C@H]3OC(=O)[C@@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020111332 568588978 /nfs/dbraw/zinc/58/89/78/568588978.db2.gz ZCYXRKNXQNMCGQ-COLUHYSYSA-N 1 0 420.553 3.218 50 30 biogenic HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccn1 ZINC000020219280 568594973 /nfs/dbraw/zinc/59/49/73/568594973.db2.gz VKHXEFPXGXHSIS-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020442918 568607808 /nfs/dbraw/zinc/60/78/08/568607808.db2.gz FFMIVNLBGSMVSL-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000029933946 568852331 /nfs/dbraw/zinc/85/23/31/568852331.db2.gz APPUVODSRSRUSF-UHFFFAOYSA-N 1 0 404.470 3.013 50 30 HGEARO CCCC[NH+](CCCC)CCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000058295496 568909101 /nfs/dbraw/zinc/90/91/01/568909101.db2.gz SMCGZNDPJLUHBT-UHFFFAOYSA-N 1 0 420.623 3.157 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000018102505 569006458 /nfs/dbraw/zinc/00/64/58/569006458.db2.gz JDKZZFSJLOFOHD-OAQYLSRUSA-N 1 0 408.498 3.452 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 ZINC000006787063 569121972 /nfs/dbraw/zinc/12/19/72/569121972.db2.gz NKQWEJPEDYXZCQ-YDJIHCHBSA-N 1 0 405.454 3.201 50 30 HGEARO CCCCN(CCCC)c1ccc(C([NH2+]CCO)=c2ccc(=C(C#N)C#N)cc2)cc1 ZINC000002274757 569327727 /nfs/dbraw/zinc/32/77/27/569327727.db2.gz JEHLMLBTFDBQRZ-UHFFFAOYSA-N 1 0 416.569 3.029 50 30 HGEARO C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000002408226 569396378 /nfs/dbraw/zinc/39/63/78/569396378.db2.gz GWWBMDLRWJQROO-OAQYLSRUSA-N 1 0 404.466 3.465 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH+]3CCN(c4ccccc4)CC3)C(=O)O[C@@H]1C2 ZINC000082051588 569403201 /nfs/dbraw/zinc/40/32/01/569403201.db2.gz HZXWBBKUNZOOBZ-JWGCJKGUSA-N 1 0 410.558 3.336 50 30 biogenic HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NC1CCC(C)CC1 ZINC000032777088 519175809 /nfs/dbraw/zinc/17/58/09/519175809.db2.gz JCLUSBADZQKXKC-UHFFFAOYSA-N 1 0 405.612 3.280 50 30 HGEARO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1ccc(OC)cc1OC ZINC000058329382 521678345 /nfs/dbraw/zinc/67/83/45/521678345.db2.gz MXCYQZRGYJSMIO-UHFFFAOYSA-N 1 0 415.534 3.374 50 30 HGEARO O=C1C[C@@H](c2ccc(F)cc2)[C@@H](n2cncn2)C(=O)C1[C@H]1[NH2+]CCc2ccccc21 ZINC000033684535 527022492 /nfs/dbraw/zinc/02/24/92/527022492.db2.gz FXLNDTHFEDSOJP-YUXAGFNASA-N 1 0 404.445 3.414 50 30 HGEARO COc1ccc(CC(=[NH2+])NOC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000005093324 557635159 /nfs/dbraw/zinc/63/51/59/557635159.db2.gz SKTKORLARNJVHR-UHFFFAOYSA-N 1 0 406.866 3.411 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000019925620 558307906 /nfs/dbraw/zinc/30/79/06/558307906.db2.gz SEOYYJKYOLMENR-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000020229904 558349826 /nfs/dbraw/zinc/34/98/26/558349826.db2.gz ASRIKPSTSVCHLI-OAQYLSRUSA-N 1 0 406.482 3.391 50 30 HGEARO Cc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CC[NH+](C)CC3)c3ccccc23)cc1 ZINC000020533199 558384334 /nfs/dbraw/zinc/38/43/34/558384334.db2.gz NAYOOOHSQIKNBS-RGPPVUSESA-N 1 0 417.553 3.454 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1OC ZINC000013127725 558519445 /nfs/dbraw/zinc/51/94/45/558519445.db2.gz VSGYDMXYSHSMSU-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO O=C(Cn1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1)c1ccc(Cl)cc1Cl ZINC000013590764 558545905 /nfs/dbraw/zinc/54/59/05/558545905.db2.gz JZNGBMNITGXHEW-UHFFFAOYSA-N 1 0 420.232 3.151 50 30 HGEARO C[N+](C)(CC#N)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000015276684 558730104 /nfs/dbraw/zinc/73/01/04/558730104.db2.gz QQOPZLXXMIPEGK-NVPYSNMXSA-N 1 0 414.529 3.325 50 30 HGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccs1 ZINC000013722600 558859150 /nfs/dbraw/zinc/85/91/50/558859150.db2.gz HPMWSQPJKBGIMV-QGZVFWFLSA-N 1 0 404.463 3.036 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F ZINC000019582246 558937393 /nfs/dbraw/zinc/93/73/93/558937393.db2.gz XHNRPNXLHMQWCR-IBGZPJMESA-N 1 0 400.425 3.495 50 30 HGEARO N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127529 559015874 /nfs/dbraw/zinc/01/58/74/559015874.db2.gz OSAVZRGCMJLWLH-UHFFFAOYSA-N 1 0 416.934 3.240 50 30 HGEARO CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NCCC2=C[NH2+][C@@H]3C=CC=C[C@H]23)C1=O ZINC000100853460 559141332 /nfs/dbraw/zinc/14/13/32/559141332.db2.gz YYNHUHDXGKLILK-DMWDEFMLSA-N 1 0 416.477 3.452 50 30 HGEARO COc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000004961965 559218017 /nfs/dbraw/zinc/21/80/17/559218017.db2.gz ZICCXSHMKDTQNO-NRFANRHFSA-O 1 0 408.865 3.363 50 30 HGEARO CCOc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2cccc(C)c2)cc1 ZINC000005006332 559227340 /nfs/dbraw/zinc/22/73/40/559227340.db2.gz XBGOHKAZUILLEM-HSZRJFAPSA-O 1 0 402.474 3.408 50 30 HGEARO N#Cc1ccc(C[NH+]2CCC(NC(=O)CC3(n4cccc4)CCOCC3)CC2)cc1 ZINC000409413083 559250422 /nfs/dbraw/zinc/25/04/22/559250422.db2.gz BMHKTPRDYPWMRI-UHFFFAOYSA-N 1 0 406.530 3.036 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000005595844 560628508 /nfs/dbraw/zinc/62/85/08/560628508.db2.gz LPNDFGAAYNPOJH-NHFXJNLRSA-N 1 0 412.486 3.359 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000101294148 560791051 /nfs/dbraw/zinc/79/10/51/560791051.db2.gz GSGZMVQMTJPQTG-YDJIHCHBSA-N 1 0 410.470 3.136 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Cl)c1 ZINC000102485383 560811795 /nfs/dbraw/zinc/81/17/95/560811795.db2.gz QIZIVGPDVYJEJQ-WOOAAIBNSA-N 1 0 413.905 3.499 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000102706887 560820581 /nfs/dbraw/zinc/82/05/81/560820581.db2.gz XHTATCQEHCKUDD-YDJIHCHBSA-N 1 0 424.497 3.077 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000102706260 560820648 /nfs/dbraw/zinc/82/06/48/560820648.db2.gz YHKCAJNMQJEOPH-NHFXJNLRSA-N 1 0 412.486 3.440 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 ZINC000102733020 560822571 /nfs/dbraw/zinc/82/25/71/560822571.db2.gz VFBXAKHAZADOHK-NHFXJNLRSA-N 1 0 405.454 3.201 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)c2ccccc21 ZINC000102748999 560824357 /nfs/dbraw/zinc/82/43/57/560824357.db2.gz NEFFNCMCAABGLQ-LFVOPCPISA-N 1 0 409.511 3.223 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)c2ccccc21 ZINC000102753564 560825735 /nfs/dbraw/zinc/82/57/35/560825735.db2.gz NTLYQTPBEWZDOV-NHFXJNLRSA-N 1 0 407.470 3.145 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)s1 ZINC000102876229 560832679 /nfs/dbraw/zinc/83/26/79/560832679.db2.gz KTZQDSPGJPZZKY-GROYHEBESA-N 1 0 417.506 3.272 50 30 HGEARO CCOC(=O)c1sc(N)c(C#N)c1CN1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000106920860 560894487 /nfs/dbraw/zinc/89/44/87/560894487.db2.gz IUFBFCXCBJDTAV-WDYCEAGBSA-N 1 0 410.543 3.113 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000020263800 568596396 /nfs/dbraw/zinc/59/63/96/568596396.db2.gz ZCRIKBNOBAZITG-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO Cc1cc(C)c(C#N)c(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095384345 568603588 /nfs/dbraw/zinc/60/35/88/568603588.db2.gz LEHFISIEEXDMMH-WWPVKYPJSA-N 1 0 402.498 3.365 50 30 HGEARO N#Cc1c(NC(=O)CC[NH+]2CCN(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000057439699 568836907 /nfs/dbraw/zinc/83/69/07/568836907.db2.gz CGRKOMIANSTJAG-UHFFFAOYSA-N 1 0 410.543 3.355 50 30 HGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000059410298 568953082 /nfs/dbraw/zinc/95/30/82/568953082.db2.gz ZIAHOSBBOSKRBE-PTHIUPCUSA-N 1 0 410.558 3.334 50 30 biogenic HGEARO C#Cc1cccc(C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000011997272 568992683 /nfs/dbraw/zinc/99/26/83/568992683.db2.gz GJNGPSJIGKEZTO-QFIPXVFZSA-N 1 0 406.526 3.464 50 30 HGEARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C#CCCO)cc2)CC1 ZINC000012023818 568993261 /nfs/dbraw/zinc/99/32/61/568993261.db2.gz DFJXOSRQPOLJNU-UHFFFAOYSA-N 1 0 408.546 3.439 50 30 HGEARO CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH+](Cc3ccco3)CC2)C1=O ZINC000012280713 568994341 /nfs/dbraw/zinc/99/43/41/568994341.db2.gz GQKHUMPGVXNERC-VWLOTQADSA-N 1 0 419.525 3.438 50 30 HGEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1cccnc1)C2 ZINC000014745842 569003569 /nfs/dbraw/zinc/00/35/69/569003569.db2.gz URMYMEGMNXRZOE-HXUWFJFHSA-N 1 0 407.562 3.170 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000017778283 569005732 /nfs/dbraw/zinc/00/57/32/569005732.db2.gz JDKZZFSJLOFOHD-NRFANRHFSA-N 1 0 408.498 3.452 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000019884826 569007945 /nfs/dbraw/zinc/00/79/45/569007945.db2.gz VPHXNKREYYLFFS-SFHVURJKSA-N 1 0 400.500 3.287 50 30 HGEARO C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006812699 569136688 /nfs/dbraw/zinc/13/66/88/569136688.db2.gz GRFOBIHKCLPSSN-LFVOPCPISA-N 1 0 412.511 3.296 50 30 HGEARO CCOC(=O)c1sc(N)c(C#N)c1CN1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000252669837 569319260 /nfs/dbraw/zinc/31/92/60/569319260.db2.gz IUFBFCXCBJDTAV-VDZJLULYSA-N 1 0 410.543 3.113 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000009088783 571219903 /nfs/dbraw/zinc/21/99/03/571219903.db2.gz SXGDGJJMHDPUBU-MRJHHRETSA-N 1 0 424.497 3.164 50 30 HGEARO C=CC[NH+](CC=C)[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C ZINC000032829520 518772598 /nfs/dbraw/zinc/77/25/98/518772598.db2.gz ANGRSARWDSRUES-NRFANRHFSA-N 1 0 416.522 3.178 50 30 HGEARO CCOC(=O)c1cnc(ONC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F ZINC000008618123 557797209 /nfs/dbraw/zinc/79/72/09/557797209.db2.gz VDESHZYKDFZXES-UHFFFAOYSA-N 1 0 422.285 3.390 50 30 HGEARO Cc1cc(C)nc(NC(=[NH2+])N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019921326 558307200 /nfs/dbraw/zinc/30/72/00/558307200.db2.gz WECRAELOTDVYDK-UHFFFAOYSA-N 1 0 400.530 3.447 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019949612 558314790 /nfs/dbraw/zinc/31/47/90/558314790.db2.gz AUHFZAHUJDENCP-KRWDZBQOSA-N 1 0 415.471 3.186 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)o2)cc1 ZINC000020230321 558350136 /nfs/dbraw/zinc/35/01/36/558350136.db2.gz NYWDHAOOVCQIHA-HXUWFJFHSA-N 1 0 410.470 3.293 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)cc1OC ZINC000013127724 558519388 /nfs/dbraw/zinc/51/93/88/558519388.db2.gz VSGYDMXYSHSMSU-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000013127694 558519423 /nfs/dbraw/zinc/51/94/23/558519423.db2.gz DNMQGRSOFVOOCC-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1F ZINC000013731218 558861028 /nfs/dbraw/zinc/86/10/28/558861028.db2.gz ZSXAYMPLMMLUQV-LJQANCHMSA-N 1 0 416.424 3.113 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000013728593 558861300 /nfs/dbraw/zinc/86/13/00/558861300.db2.gz GPPMYFYTKVGQKL-NRFANRHFSA-N 1 0 419.481 3.316 50 30 HGEARO N#CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000082157574 559041588 /nfs/dbraw/zinc/04/15/88/559041588.db2.gz USSRAZNFQQUAJJ-HSZRJFAPSA-N 1 0 408.590 3.168 50 30 HGEARO CCOc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004881854 559197115 /nfs/dbraw/zinc/19/71/15/559197115.db2.gz OOVNYBXLCZAJRS-HSZRJFAPSA-O 1 0 418.473 3.108 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)o1 ZINC000005488705 560597742 /nfs/dbraw/zinc/59/77/42/560597742.db2.gz MWXOCGLWOZJAJQ-NHFXJNLRSA-N 1 0 412.486 3.360 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)s1 ZINC000102494240 560812315 /nfs/dbraw/zinc/81/23/15/560812315.db2.gz BSDHRHOZMHSOKD-IBOXJLQUSA-N 1 0 419.934 3.397 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2OC)c1 ZINC000102861664 560832060 /nfs/dbraw/zinc/83/20/60/560832060.db2.gz ZNZZXTXRBLFCAI-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)c(C)c1 ZINC000102863322 560832343 /nfs/dbraw/zinc/83/23/43/560832343.db2.gz AFMLICFDXIANKB-WOOAAIBNSA-N 1 0 414.527 3.439 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)c(C)c1 ZINC000102863324 560832345 /nfs/dbraw/zinc/83/23/45/560832345.db2.gz AFMLICFDXIANKB-LFVOPCPISA-N 1 0 414.527 3.439 50 30 HGEARO CC(C)OC(=O)c1c(NC(=O)C[n+]2ccc(N(C)C)cc2)sc2c1CC[C@@H](C)C2 ZINC000003451923 568905779 /nfs/dbraw/zinc/90/57/79/568905779.db2.gz DMXULHMGLNKYGE-OAHLLOKOSA-O 1 0 416.567 3.430 50 30 HGEARO C=CC[NH2+]C1CCN(c2ccc(CC(=O)NCCc3ccccc3OC)cc2)CC1 ZINC000012208343 568994106 /nfs/dbraw/zinc/99/41/06/568994106.db2.gz PAQMQHFVFGHFKU-UHFFFAOYSA-N 1 0 407.558 3.341 50 30 HGEARO CCC[C@@H]1C[C@](C)(C(=O)C[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001827458 569056296 /nfs/dbraw/zinc/05/62/96/569056296.db2.gz CCCNVBSOVRUAME-MEBBXXQBSA-N 1 0 420.121 3.190 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006785356 569121677 /nfs/dbraw/zinc/12/16/77/569121677.db2.gz GMWCZHVAUPFUNF-LCPUNJGISA-N 1 0 423.469 3.358 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006812675 569136618 /nfs/dbraw/zinc/13/66/18/569136618.db2.gz WRAPKCFJUGOBFH-GHNGSUTGSA-N 1 0 400.500 3.130 50 30 HGEARO C[C@@H]1CC[C@H]2[C@H](C[N@H+](C)C[C@@](C)(O)c3ccccc3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000006851723 569154543 /nfs/dbraw/zinc/15/45/43/569154543.db2.gz USZNBPTYRPCLPW-VKXRLZBHSA-N 1 0 413.558 3.351 50 30 biogenic HGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH+]3CCN(c4ccccc4)CC3)C(=O)O[C@@H]1C2 ZINC000082051586 569403235 /nfs/dbraw/zinc/40/32/35/569403235.db2.gz HZXWBBKUNZOOBZ-NMVSFQQOSA-N 1 0 410.558 3.336 50 30 biogenic HGEARO N#Cc1c(N)nc2c(c1N)c(=[NH2+])sc1c2[C@@H](c2c(F)cccc2Cl)CC(=O)N1 ZINC000013122851 569409415 /nfs/dbraw/zinc/40/94/15/569409415.db2.gz XNEBDRZGAHDDLV-ZCFIWIBFSA-N 1 0 414.853 3.078 50 30 aggregator HGEARO COc1ccc([C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000039936134 571135049 /nfs/dbraw/zinc/13/50/49/571135049.db2.gz WIRSZDUJZMZDFW-XUZZJYLKSA-N 1 0 409.530 3.123 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000009088132 571219974 /nfs/dbraw/zinc/21/99/74/571219974.db2.gz SXGDGJJMHDPUBU-JBCNATCCSA-N 1 0 424.497 3.164 50 30 HGEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccco3)oc21 ZINC000009271266 571244390 /nfs/dbraw/zinc/24/43/90/571244390.db2.gz KETFMFIJVRHGSS-WOOAAIBNSA-N 1 0 424.453 3.408 50 30 HGEARO C[N+]1(CC(=O)Nc2cccc(C(F)(F)F)c2)CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000097994694 717141884 /nfs/dbraw/zinc/14/18/84/717141884.db2.gz PPRAVZNFYCRFGD-FPLPWBNLSA-O 1 0 422.427 3.239 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccnc1 ZINC000020171626 520601926 /nfs/dbraw/zinc/60/19/26/520601926.db2.gz YYFVWUCDZREARK-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO COCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000021046943 523270033 /nfs/dbraw/zinc/27/00/33/523270033.db2.gz XDXBGAGHMMGYQQ-GOSISDBHSA-N 1 0 404.555 3.051 50 30 HGEARO [NH2+]=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2cccc(Br)c2)C1=O ZINC000004719661 557586492 /nfs/dbraw/zinc/58/64/92/557586492.db2.gz SPKHIEALBDGRFS-CQSZACIVSA-N 1 0 404.289 3.461 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1OC ZINC000004326541 558259200 /nfs/dbraw/zinc/25/92/00/558259200.db2.gz ZGEGXBPGQWGPFA-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)c1 ZINC000019973846 558316771 /nfs/dbraw/zinc/31/67/71/558316771.db2.gz TVNHSZHOSLTFPX-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1 ZINC000020133179 558337531 /nfs/dbraw/zinc/33/75/31/558337531.db2.gz ZBFGFIIACQDZHM-HXUWFJFHSA-N 1 0 405.454 3.358 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)cc1 ZINC000020230318 558350065 /nfs/dbraw/zinc/35/00/65/558350065.db2.gz NYWDHAOOVCQIHA-FQEVSTJZSA-N 1 0 410.470 3.293 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)c1 ZINC000020230954 558350091 /nfs/dbraw/zinc/35/00/91/558350091.db2.gz KAPNIJOBWCTILO-LJQANCHMSA-N 1 0 414.889 3.489 50 30 HGEARO COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000012467996 558420899 /nfs/dbraw/zinc/42/08/99/558420899.db2.gz FGDPBCAJJBRQIA-NRFANRHFSA-N 1 0 424.497 3.158 50 30 HGEARO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000017180280 558825091 /nfs/dbraw/zinc/82/50/91/558825091.db2.gz FICMTHUULJFFBT-NRFANRHFSA-N 1 0 424.497 3.152 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)c(C)c1 ZINC000018142156 558832019 /nfs/dbraw/zinc/83/20/19/558832019.db2.gz FGLFUVVZQWAHDS-SFHVURJKSA-N 1 0 400.500 3.205 50 30 HGEARO N#Cc1cccnc1N1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000097098905 558991741 /nfs/dbraw/zinc/99/17/41/558991741.db2.gz UNUNUKOPIUAUTK-FQEVSTJZSA-N 1 0 411.509 3.244 50 30 HGEARO COc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2ccccc2Cl)cc1 ZINC000005006546 559227531 /nfs/dbraw/zinc/22/75/31/559227531.db2.gz UFYDNWQQJDEGNT-NRFANRHFSA-O 1 0 408.865 3.363 50 30 HGEARO CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005565248 560616028 /nfs/dbraw/zinc/61/60/28/560616028.db2.gz XAIBWOJDXKMOIB-JBCNATCCSA-N 1 0 408.498 3.459 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2OC)c(C)c1 ZINC000018145814 560779959 /nfs/dbraw/zinc/77/99/59/560779959.db2.gz ZSWQMZBDHXJZPO-NRFANRHFSA-N 1 0 424.497 3.152 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000102746531 560824056 /nfs/dbraw/zinc/82/40/56/560824056.db2.gz GJWHUONRWHZBQI-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102751701 560825655 /nfs/dbraw/zinc/82/56/55/560825655.db2.gz OEZYOTUCPLSDGK-JBCNATCCSA-N 1 0 424.545 3.144 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)s1 ZINC000102856434 560830905 /nfs/dbraw/zinc/83/09/05/560830905.db2.gz PAGYKZBTHHEUBX-GROYHEBESA-N 1 0 417.506 3.272 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000102866717 560832716 /nfs/dbraw/zinc/83/27/16/560832716.db2.gz AXBZPGMXCLMLJO-NHFXJNLRSA-N 1 0 412.461 3.126 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000020130407 568589728 /nfs/dbraw/zinc/58/97/28/568589728.db2.gz HTOFFMWLCWLMDS-NRFANRHFSA-N 1 0 424.497 3.321 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccnc1 ZINC000020171078 568592287 /nfs/dbraw/zinc/59/22/87/568592287.db2.gz IQQDSZYUJJLESI-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000005799831 568735086 /nfs/dbraw/zinc/73/50/86/568735086.db2.gz IQASXXVNWJQYQZ-NHFXJNLRSA-N 1 0 412.461 3.208 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000005799834 568735398 /nfs/dbraw/zinc/73/53/98/568735398.db2.gz LLAHOBXYJROYBD-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2ccc(C#CC(C)(C)O)o2)CC1 ZINC000011873973 568992448 /nfs/dbraw/zinc/99/24/48/568992448.db2.gz XZCPBTHRVNSIJB-UHFFFAOYSA-N 1 0 408.542 3.429 50 30 HGEARO CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3ccco3)CC2)C1=O ZINC000012280716 568994359 /nfs/dbraw/zinc/99/43/59/568994359.db2.gz GQKHUMPGVXNERC-RUZDIDTESA-N 1 0 419.525 3.438 50 30 HGEARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)C#Cc1ccccc1 ZINC000012714192 568996342 /nfs/dbraw/zinc/99/63/42/568996342.db2.gz QYWXOMZBDOIARL-HSZRJFAPSA-N 1 0 416.565 3.393 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014749963 569003493 /nfs/dbraw/zinc/00/34/93/569003493.db2.gz SXXSMEFMUWTNQA-QGZVFWFLSA-N 1 0 414.550 3.044 50 30 HGEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1cccnc1)C2 ZINC000014745841 569003660 /nfs/dbraw/zinc/00/36/60/569003660.db2.gz URMYMEGMNXRZOE-FQEVSTJZSA-N 1 0 407.562 3.170 50 30 HGEARO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3OC)C2)n1C ZINC000014987958 569004069 /nfs/dbraw/zinc/00/40/69/569004069.db2.gz KAIVBIVIVIJFNR-MRXNPFEDSA-N 1 0 418.563 3.499 50 30 HGEARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#CC(C)(C)O)cc3)C2)c1 ZINC000014976481 569004261 /nfs/dbraw/zinc/00/42/61/569004261.db2.gz UFWQIJXMRPEJGC-QFIPXVFZSA-N 1 0 406.526 3.212 50 30 HGEARO C[NH+]1CCC(N2CCN(Cc3ccccc3C#Cc3ccccc3)C[C@@H]2CCO)CC1 ZINC000019835936 569018520 /nfs/dbraw/zinc/01/85/20/569018520.db2.gz VXGDAGDHVYEYTP-MHZLTWQESA-N 1 0 417.597 3.049 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000006428371 569048819 /nfs/dbraw/zinc/04/88/19/569048819.db2.gz LFFUSSRDWUKBPT-NFGHKGSMSA-N 1 0 424.497 3.285 50 30 HGEARO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000242183937 569315149 /nfs/dbraw/zinc/31/51/49/569315149.db2.gz XDDDSUSLMDGNRB-NJYVYQBISA-N 1 0 407.518 3.088 50 30 HGEARO C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCCc1ccccc1)C2 ZINC000014533625 569402805 /nfs/dbraw/zinc/40/28/05/569402805.db2.gz OHKPXEHBFKKACA-FQEVSTJZSA-N 1 0 424.614 3.338 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H](C)c1ccco1 ZINC000032777125 519175976 /nfs/dbraw/zinc/17/59/76/519175976.db2.gz VIMHFJLTATXKCK-INIZCTEOSA-N 1 0 403.552 3.055 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1OC ZINC000020029661 558323970 /nfs/dbraw/zinc/32/39/70/558323970.db2.gz RVKSKSWYMJBWPV-FQEVSTJZSA-N 1 0 424.497 3.152 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccncc1 ZINC000020150178 558340624 /nfs/dbraw/zinc/34/06/24/558340624.db2.gz SSQNAQXEDLDPTD-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccn1 ZINC000020229954 558349886 /nfs/dbraw/zinc/34/98/86/558349886.db2.gz TZEWKILKXCMMSK-OAQYLSRUSA-N 1 0 423.513 3.400 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccccn2)cc1 ZINC000020230420 558350118 /nfs/dbraw/zinc/35/01/18/558350118.db2.gz VJSACHIYNHZUMY-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000020357378 558357605 /nfs/dbraw/zinc/35/76/05/558357605.db2.gz LBNKRXDKBDGRMN-BTYIYWSLSA-N 1 0 424.497 3.441 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000016700321 558801536 /nfs/dbraw/zinc/80/15/36/558801536.db2.gz IPFPWESRVLJTBI-NRFANRHFSA-N 1 0 424.497 3.152 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000018045229 558830041 /nfs/dbraw/zinc/83/00/41/558830041.db2.gz XDAOGJSWUKDEDK-NRFANRHFSA-N 1 0 424.497 3.152 50 30 HGEARO COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccco1 ZINC000013688543 558855115 /nfs/dbraw/zinc/85/51/15/558855115.db2.gz KCPUOPFCPFQKHI-SFHVURJKSA-N 1 0 418.877 3.472 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(F)c2)cc1F ZINC000013719780 558859536 /nfs/dbraw/zinc/85/95/36/558859536.db2.gz YFIWOETXQBMGEK-IBGZPJMESA-N 1 0 416.424 3.113 50 30 HGEARO NC(=NOCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000058161082 558905332 /nfs/dbraw/zinc/90/53/32/558905332.db2.gz YLWHBSICGWISET-UHFFFAOYSA-N 1 0 402.445 3.226 50 30 HGEARO O=C1/C(=N/NC(=S)Nc2ccc(F)cc2)c2ccccc2N1CN1CCCCC1 ZINC000101150697 560787046 /nfs/dbraw/zinc/78/70/46/560787046.db2.gz DKODWRRMJKHXMG-LYBHJNIJSA-N 1 0 411.506 3.306 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102720199 560823526 /nfs/dbraw/zinc/82/35/26/560823526.db2.gz XDICYHPDMDBYTE-LFVOPCPISA-N 1 0 414.889 3.332 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102744975 560823964 /nfs/dbraw/zinc/82/39/64/560823964.db2.gz FTZMJUYFIYQXFW-MRJHHRETSA-N 1 0 419.481 3.160 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020149759 568590694 /nfs/dbraw/zinc/59/06/94/568590694.db2.gz MSQLSDXSYMQFDX-OAQYLSRUSA-N 1 0 424.497 3.234 50 30 HGEARO CCCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020219592 568594990 /nfs/dbraw/zinc/59/49/90/568594990.db2.gz BCLKIBFQDREELI-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO CC(C)([C@@H](NC(=O)c1cn(CCCC#N)nn1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096011120 568683965 /nfs/dbraw/zinc/68/39/65/568683965.db2.gz ULSBNKMCHZZRMW-IBGZPJMESA-N 1 0 416.476 3.206 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000006025084 568835739 /nfs/dbraw/zinc/83/57/39/568835739.db2.gz ZQMRJVCGVGQAGK-MRJHHRETSA-N 1 0 421.497 3.020 50 30 HGEARO CC[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC2CCCCC2)CC1 ZINC000004310187 568960591 /nfs/dbraw/zinc/96/05/91/568960591.db2.gz KKTOITAISCXMHG-SFHVURJKSA-N 1 0 407.518 3.255 50 30 HGEARO C[N@H+](CCOc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000008036350 568969812 /nfs/dbraw/zinc/96/98/12/568969812.db2.gz YTPFRDGVDWSSNF-QGZVFWFLSA-N 1 0 405.292 3.071 50 30 HGEARO C=CCOc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012583723 568995083 /nfs/dbraw/zinc/99/50/83/568995083.db2.gz NQKBBPUXHOINFQ-LJQANCHMSA-N 1 0 410.518 3.260 50 30 HGEARO CC(C)(O)C#Cc1ccc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)s1 ZINC000012594807 568995387 /nfs/dbraw/zinc/99/53/87/568995387.db2.gz WRWWTTZALOXIEQ-LJQANCHMSA-N 1 0 418.603 3.158 50 30 HGEARO COc1cccc(CN2CC[N@H+](Cc3ccc(C#CC(C)(C)O)cc3)CCC2=O)c1 ZINC000014961906 569004274 /nfs/dbraw/zinc/00/42/74/569004274.db2.gz ZMFZNJAPOMZRJS-UHFFFAOYSA-N 1 0 406.526 3.052 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)c(OC)c1 ZINC000104189791 569050353 /nfs/dbraw/zinc/05/03/53/569050353.db2.gz UZCOARYBSKOFJR-JBCNATCCSA-N 1 0 424.497 3.077 50 30 HGEARO Cc1ccc(S(=O)(=O)O[C@H]2C[N+]3(Cc4ccc([N+](=O)[O-])cc4)CCC2CC3)cc1 ZINC000001821011 569056297 /nfs/dbraw/zinc/05/62/97/569056297.db2.gz COYZJCMJAOUPMW-STDCAVTESA-N 1 0 417.507 3.418 50 30 HGEARO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006781932 569120531 /nfs/dbraw/zinc/12/05/31/569120531.db2.gz JZRBIIFQWKQGSK-YDJIHCHBSA-N 1 0 412.486 3.440 50 30 HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006812718 569136570 /nfs/dbraw/zinc/13/65/70/569136570.db2.gz GRFOBIHKCLPSSN-WOOAAIBNSA-N 1 0 412.511 3.296 50 30 HGEARO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000170611992 569245687 /nfs/dbraw/zinc/24/56/87/569245687.db2.gz HKGHIXRTHASSHC-UHFFFAOYSA-N 1 0 418.582 3.442 50 30 HGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000017147595 569275543 /nfs/dbraw/zinc/27/55/43/569275543.db2.gz HSPWISAOGZUHPE-OAQYLSRUSA-N 1 0 418.497 3.173 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000013122139 569409541 /nfs/dbraw/zinc/40/95/41/569409541.db2.gz LPJXHGNMKDIQPI-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO C=CCNC(=O)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684549 518945286 /nfs/dbraw/zinc/94/52/86/518945286.db2.gz MDPPZFNNYHYNSK-UHFFFAOYSA-N 1 0 416.525 3.498 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccncc1 ZINC000020119921 520657596 /nfs/dbraw/zinc/65/75/96/520657596.db2.gz AFLUOEZOHXDAHM-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000007787103 520805906 /nfs/dbraw/zinc/80/59/06/520805906.db2.gz ZZFFUMRWXHPLGU-UHFFFAOYSA-N 1 0 415.563 3.176 50 30 HGEARO CCC[C@@H]1C[C@@](C)(C(=O)C[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001827460 520872855 /nfs/dbraw/zinc/87/28/55/520872855.db2.gz CCCNVBSOVRUAME-BMIGLBTASA-N 1 0 420.121 3.190 50 30 HGEARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1CCO ZINC000020778989 525142441 /nfs/dbraw/zinc/14/24/41/525142441.db2.gz PKDAXWZGQVIBFJ-VWLOTQADSA-N 1 0 406.570 3.186 50 30 HGEARO C[N+]1(CC(=O)Nc2ccccc2Cl)CCN(C(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000034870958 525357238 /nfs/dbraw/zinc/35/72/38/525357238.db2.gz ZNUOZLKAVIFJBN-FLIBITNWSA-O 1 0 416.904 3.420 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccs2)c1 ZINC000019973837 558316736 /nfs/dbraw/zinc/31/67/36/558316736.db2.gz YJQACAQLNHJYTC-SFHVURJKSA-N 1 0 400.500 3.287 50 30 HGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)c1 ZINC000019973877 558316785 /nfs/dbraw/zinc/31/67/85/558316785.db2.gz VSBUFSXGAHCYLZ-SFHVURJKSA-N 1 0 400.500 3.287 50 30 HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020228380 558349576 /nfs/dbraw/zinc/34/95/76/558349576.db2.gz GSLORYUWICBZOD-IBGZPJMESA-N 1 0 412.511 3.453 50 30 HGEARO CO[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000097082006 559049092 /nfs/dbraw/zinc/04/90/92/559049092.db2.gz ABONCZHBUIBPGO-RBUKOAKNSA-N 1 0 403.523 3.331 50 30 HGEARO CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2[N+](=O)C(C)=O ZINC000101402846 559146826 /nfs/dbraw/zinc/14/68/26/559146826.db2.gz DVURQURGXIRLNG-PXLXIMEGSA-N 1 0 400.456 3.359 50 30 HGEARO C#CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCCN1C(=O)OC(C)(C)C ZINC000240900783 559271996 /nfs/dbraw/zinc/27/19/96/559271996.db2.gz ITWGXKRPHGBXHM-MSYCTHLASA-N 1 0 403.567 3.253 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)s1 ZINC000018058347 560774183 /nfs/dbraw/zinc/77/41/83/560774183.db2.gz FOFWMAANUMCOKY-QGZVFWFLSA-N 1 0 417.506 3.429 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)s1 ZINC000102498533 560812487 /nfs/dbraw/zinc/81/24/87/560812487.db2.gz SJKDVKDGXBUQBH-HVESIFNPSA-N 1 0 417.506 3.272 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccnc1 ZINC000102507923 560812848 /nfs/dbraw/zinc/81/28/48/560812848.db2.gz GISBSUOYPSQPFI-MRJHHRETSA-N 1 0 423.513 3.244 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000102539520 560814063 /nfs/dbraw/zinc/81/40/63/560814063.db2.gz KDDIVVBARMBVMD-NHFXJNLRSA-N 1 0 412.486 3.442 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102741042 560823503 /nfs/dbraw/zinc/82/35/03/560823503.db2.gz ZSVARHFCMJBCBP-JBCNATCCSA-N 1 0 419.481 3.160 50 30 HGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccs1 ZINC000102745347 560823981 /nfs/dbraw/zinc/82/39/81/560823981.db2.gz XGZXHBPTDQKSKW-GHNGSUTGSA-N 1 0 418.490 3.269 50 30 HGEARO Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000102929632 560834383 /nfs/dbraw/zinc/83/43/83/560834383.db2.gz LXRJJRSFTNHUCR-OBVHCKHUSA-N 1 0 418.497 3.016 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000104179891 560849183 /nfs/dbraw/zinc/84/91/83/560849183.db2.gz JYLKUQSNCRJJEA-MRJHHRETSA-N 1 0 408.498 3.377 50 30 HGEARO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000051532221 568460419 /nfs/dbraw/zinc/46/04/19/568460419.db2.gz XZODFPCZRIINOW-FQEVSTJZSA-N 1 0 410.470 3.117 50 30 HGEARO COc1ccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)=N\O)cc1OC ZINC000020111869 568588907 /nfs/dbraw/zinc/58/89/07/568588907.db2.gz CAVYINWUJMZQPC-AJIWAEEYSA-N 1 0 414.458 3.239 50 30 biogenic HGEARO COCCNC1=[NH+]c2ncccc2NC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096309693 568673959 /nfs/dbraw/zinc/67/39/59/568673959.db2.gz RWWRYOYSVULZOV-UHFFFAOYSA-N 1 0 413.909 3.292 50 30 HGEARO CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12C[NH2+]C[C@H]2c1ccc(C#N)cc1 ZINC000034661368 568687769 /nfs/dbraw/zinc/68/77/69/568687769.db2.gz XEANMEGOYUBDBY-FXAWDEMLSA-N 1 0 415.280 3.389 50 30 HGEARO CCC[C@H]1CC(=O)O[C@]1(C)C(=O)C[n+]1cc(Br)cc(Br)c1 ZINC000012391601 568695995 /nfs/dbraw/zinc/69/59/95/568695995.db2.gz UMEARLHRZVIJDS-BONVTDFDSA-N 1 0 420.121 3.190 50 30 HGEARO COCCNC1=[NH+]c2ncccc2NC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000096309694 568724060 /nfs/dbraw/zinc/72/40/60/568724060.db2.gz REXZYJANGBGTFI-UHFFFAOYSA-N 1 0 413.909 3.292 50 30 biogenic HGEARO CC[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)CC1 ZINC000004310186 568960599 /nfs/dbraw/zinc/96/05/99/568960599.db2.gz KKTOITAISCXMHG-GOSISDBHSA-N 1 0 407.518 3.255 50 30 HGEARO C#Cc1ccc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)cc1 ZINC000012387677 568994643 /nfs/dbraw/zinc/99/46/43/568994643.db2.gz OXKLABQJUDXGCZ-UHFFFAOYSA-N 1 0 422.525 3.096 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006785223 569121507 /nfs/dbraw/zinc/12/15/07/569121507.db2.gz GMWCZHVAUPFUNF-GOBJLOIFSA-N 1 0 423.469 3.358 50 30 HGEARO C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000006812719 569136612 /nfs/dbraw/zinc/13/66/12/569136612.db2.gz OHYABIVNLUXYCM-WOOAAIBNSA-N 1 0 412.511 3.296 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH+]3CCN(Cc4ccccc4)CC3)C(=O)O[C@@H]1C2 ZINC000082051488 569403244 /nfs/dbraw/zinc/40/32/44/569403244.db2.gz GYITWWJGOHLJSX-WIAZEZMVSA-N 1 0 424.585 3.331 50 30 biogenic HGEARO N#Cc1ccc(OCC[NH+](CCOc2ccc(C#N)cc2)CCn2cccn2)cc1 ZINC000070004005 571253522 /nfs/dbraw/zinc/25/35/22/571253522.db2.gz XKVCGWOMIMXILC-UHFFFAOYSA-N 1 0 401.470 3.086 50 30 HGEARO Cc1cnn(CC[NH+](CCOc2cccc(C#N)c2)CCOc2cccc(C#N)c2)c1 ZINC000070038655 571254813 /nfs/dbraw/zinc/25/48/13/571254813.db2.gz SYDHYCXQIFBLEZ-UHFFFAOYSA-N 1 0 415.497 3.395 50 30 HGEARO CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000021046955 521705593 /nfs/dbraw/zinc/70/55/93/521705593.db2.gz ZCMCUAAIQKHRAW-LJQANCHMSA-N 1 0 418.582 3.441 50 30 HGEARO CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCC[NH+](C)C ZINC000009483393 523141407 /nfs/dbraw/zinc/14/14/07/523141407.db2.gz KBCUNNTURYIRAU-LJQANCHMSA-N 1 0 412.578 3.408 50 30 HGEARO S[C@H](COCc1ccccc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022146858 526389096 /nfs/dbraw/zinc/38/90/96/526389096.db2.gz CTCIGFHMLGKYCR-FQEVSTJZSA-N 1 0 400.544 3.048 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccnc1 ZINC000019861607 558298108 /nfs/dbraw/zinc/29/81/08/558298108.db2.gz CZOASWZPOQKEJC-KRWDZBQOSA-N 1 0 414.531 3.075 50 30 HGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccs3)ccc2O1 ZINC000019938494 558312890 /nfs/dbraw/zinc/31/28/90/558312890.db2.gz KRIHLUTWFKNWKV-YJYMSZOUSA-N 1 0 412.511 3.211 50 30 HGEARO CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)c1 ZINC000019973903 558316744 /nfs/dbraw/zinc/31/67/44/558316744.db2.gz UVVJRJIPNRCGRC-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccncc1 ZINC000019973946 558317124 /nfs/dbraw/zinc/31/71/24/558317124.db2.gz ALANPOZZBHERQI-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000020119934 558336982 /nfs/dbraw/zinc/33/69/82/558336982.db2.gz YYZXXLTZCRHFEF-FQEVSTJZSA-N 1 0 410.470 3.374 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Cl)c2)c1 ZINC000020230956 558350126 /nfs/dbraw/zinc/35/01/26/558350126.db2.gz KAPNIJOBWCTILO-IBGZPJMESA-N 1 0 414.889 3.489 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)cc1 ZINC000101288221 560790735 /nfs/dbraw/zinc/79/07/35/560790735.db2.gz NDRHKOYNIPQXBC-WOOAAIBNSA-N 1 0 412.511 3.296 50 30 HGEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102496630 560812388 /nfs/dbraw/zinc/81/23/88/560812388.db2.gz BEZRPWPJPFVGLK-JBCNATCCSA-N 1 0 408.498 3.459 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102744970 560823972 /nfs/dbraw/zinc/82/39/72/560823972.db2.gz FTZMJUYFIYQXFW-JBCNATCCSA-N 1 0 419.481 3.160 50 30 HGEARO Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Cl)cc1 ZINC000102737009 560824475 /nfs/dbraw/zinc/82/44/75/560824475.db2.gz CAVQMLBRGZRQSX-GHNGSUTGSA-N 1 0 416.909 3.053 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccs2)cc1F ZINC000102754654 560825889 /nfs/dbraw/zinc/82/58/89/560825889.db2.gz XALQKVCBITZMGS-SELCWUDQSA-N 1 0 418.490 3.269 50 30 HGEARO CCCCCCCC(=O)N1CCN(c2nc(C[NH+]3CCC(C)CC3)cc(=O)[nH]2)CC1 ZINC000102992246 560836587 /nfs/dbraw/zinc/83/65/87/560836587.db2.gz UEAZFJPBNKAWMK-UHFFFAOYSA-N 1 0 417.598 3.011 50 30 HGEARO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984647 560859127 /nfs/dbraw/zinc/85/91/27/560859127.db2.gz NBQITXLQAONDQJ-FCHUYYIVSA-N 1 0 412.917 3.346 50 30 HGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000020112058 568588642 /nfs/dbraw/zinc/58/86/42/568588642.db2.gz KCIBTQFWUYJMPS-QQPPOQDXSA-N 1 0 424.585 3.330 50 30 biogenic HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)c1 ZINC000020149616 568590619 /nfs/dbraw/zinc/59/06/19/568590619.db2.gz YCHVLMBRTWYPOP-HXUWFJFHSA-N 1 0 412.461 3.364 50 30 HGEARO COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CC[NH+](C)C ZINC000004042431 568935850 /nfs/dbraw/zinc/93/58/50/568935850.db2.gz HSPQLIQNDNZCFV-MRJHHRETSA-N 1 0 420.465 3.425 50 30 HGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000004084332 568939750 /nfs/dbraw/zinc/93/97/50/568939750.db2.gz OBUBCWVJPUPRGV-VXYSGLEQSA-N 1 0 416.606 3.462 50 30 biogenic HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006160689 569015870 /nfs/dbraw/zinc/01/58/70/569015870.db2.gz VDTFMOICOZBPAL-MRJHHRETSA-N 1 0 406.482 3.235 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F ZINC000006198490 569031474 /nfs/dbraw/zinc/03/14/74/569031474.db2.gz FRNFTWIFOHVCJQ-LFVOPCPISA-N 1 0 400.425 3.338 50 30 HGEARO CC(C)C[C@]1(C(=O)C[n+]2cc(Br)cc(Br)c2)CCC(=O)O1 ZINC000001834536 569056384 /nfs/dbraw/zinc/05/63/84/569056384.db2.gz RRGDUODYKDTUGY-HNNXBMFYSA-N 1 0 420.121 3.190 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000006781919 569120552 /nfs/dbraw/zinc/12/05/52/569120552.db2.gz SXMVBZBPXVTIPT-NRFANRHFSA-N 1 0 423.513 3.399 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)cc2)s1 ZINC000006813170 569136840 /nfs/dbraw/zinc/13/68/40/569136840.db2.gz JJRFCWBXNLVLHY-SELCWUDQSA-N 1 0 413.543 3.442 50 30 HGEARO Cc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000013127339 569211383 /nfs/dbraw/zinc/21/13/83/569211383.db2.gz DHLNBKKKNIOCFC-FQEVSTJZSA-N 1 0 422.485 3.074 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CC[NH+](C4CCCCC4)CC3)C(=O)O[C@@H]1C2 ZINC000082053916 569403209 /nfs/dbraw/zinc/40/32/09/569403209.db2.gz SCGHGLMSEZUDQE-NMVSFQQOSA-N 1 0 416.606 3.464 50 30 biogenic HGEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH+]3CCN(Cc4ccccc4)CC3)C(=O)O[C@@H]1C2 ZINC000082051490 569403215 /nfs/dbraw/zinc/40/32/15/569403215.db2.gz GYITWWJGOHLJSX-YPROMPOGSA-N 1 0 424.585 3.331 50 30 biogenic HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)NCc1ccc(F)cc1 ZINC000032777040 519176567 /nfs/dbraw/zinc/17/65/67/519176567.db2.gz FMDJKUONSXMCGJ-UHFFFAOYSA-N 1 0 417.554 3.040 50 30 HGEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cc(C)n(C)c1C ZINC000032777080 519177978 /nfs/dbraw/zinc/17/79/78/519177978.db2.gz WUWILZBRMCQVBU-UHFFFAOYSA-N 1 0 401.580 3.423 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102873535 525214292 /nfs/dbraw/zinc/21/42/92/525214292.db2.gz ZKQORPPGUNLFAE-LFVOPCPISA-N 1 0 414.889 3.332 50 30 HGEARO O=C(Nc1ccccc1)[C@@H]1c2cccc[n+]2CC(=O)N1c1ccc(Br)cc1 ZINC000013366989 527397393 /nfs/dbraw/zinc/39/73/93/527397393.db2.gz XYFGTGHUJKVJHF-FQEVSTJZSA-O 1 0 423.290 3.463 50 30 HGEARO [NH2+]=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000004610987 557572005 /nfs/dbraw/zinc/57/20/05/557572005.db2.gz VREODRWFXYUFJV-CQSZACIVSA-N 1 0 404.289 3.461 50 30 HGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccs3)ccc2O1 ZINC000019938492 558312878 /nfs/dbraw/zinc/31/28/78/558312878.db2.gz KRIHLUTWFKNWKV-BFUOFWGJSA-N 1 0 412.511 3.211 50 30 HGEARO CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)c1 ZINC000019973849 558316834 /nfs/dbraw/zinc/31/68/34/558316834.db2.gz BWRVHWPTHAGLGS-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)c1 ZINC000020149932 558340295 /nfs/dbraw/zinc/34/02/95/558340295.db2.gz QVQJDNIGSGIPTI-HXUWFJFHSA-N 1 0 412.461 3.364 50 30 HGEARO Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)s1 ZINC000004427898 558537510 /nfs/dbraw/zinc/53/75/10/558537510.db2.gz FOMCQMKECFUJPC-INIZCTEOSA-N 1 0 403.479 3.039 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000013548065 558538458 /nfs/dbraw/zinc/53/84/58/558538458.db2.gz QKPHFEANDPSSJI-FQEVSTJZSA-N 1 0 423.469 3.433 50 30 HGEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccccc3F)ccc2O1 ZINC000013831692 558596872 /nfs/dbraw/zinc/59/68/72/558596872.db2.gz YORFZOKUUKWPGU-SPLOXXLWSA-N 1 0 424.472 3.289 50 30 HGEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000018117972 558831509 /nfs/dbraw/zinc/83/15/09/558831509.db2.gz XDMRMOYQRJYLFG-FQEVSTJZSA-N 1 0 410.470 3.293 50 30 HGEARO CC[N@@H+]1CCC[C@H]1CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000013687186 558855612 /nfs/dbraw/zinc/85/56/12/558855612.db2.gz VNLZJOYFADEAJJ-HNNXBMFYSA-N 1 0 402.951 3.460 50 30 HGEARO COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccs1 ZINC000013722602 558859249 /nfs/dbraw/zinc/85/92/49/558859249.db2.gz HPMWSQPJKBGIMV-KRWDZBQOSA-N 1 0 404.463 3.036 50 30 HGEARO Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(C(C)C)cc1 ZINC000013724746 558860259 /nfs/dbraw/zinc/86/02/59/558860259.db2.gz ALWKFNFLXLNWTP-NRFANRHFSA-N 1 0 424.545 3.300 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)c(OC)c1 ZINC000013728052 558860929 /nfs/dbraw/zinc/86/09/29/558860929.db2.gz RLJJRIWARMBGEB-NRFANRHFSA-N 1 0 424.497 3.234 50 30 HGEARO COc1ccc([C@H]2CC(=O)C([C@@H]3[NH2+]CCc4ccccc43)C(=O)[C@@H]2n2cncn2)cc1 ZINC000106347323 559163545 /nfs/dbraw/zinc/16/35/45/559163545.db2.gz DSUPBOWGYAQECD-UEVCKROQSA-N 1 0 416.481 3.284 50 30 HGEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004874856 559195230 /nfs/dbraw/zinc/19/52/30/559195230.db2.gz BRQOODOKPXAVRN-NRFANRHFSA-O 1 0 408.865 3.363 50 30 HGEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC000004881845 559197016 /nfs/dbraw/zinc/19/70/16/559197016.db2.gz RTGYLFBYWIQRKO-HSZRJFAPSA-O 1 0 402.474 3.326 50 30 HGEARO Cc1cccc(C)c1NC(=O)[C@H]1c2cccc[n+]2CC(=O)N1c1ccc2c(c1)OCO2 ZINC000004961980 559218003 /nfs/dbraw/zinc/21/80/03/559218003.db2.gz KVABYABAAGTHHR-HSZRJFAPSA-O 1 0 416.457 3.046 50 30 HGEARO COc1ccccc1N1C(=O)C[n+]2ccccc2[C@H]1C(=O)Nc1c(C)cccc1C ZINC000005006398 559227451 /nfs/dbraw/zinc/22/74/51/559227451.db2.gz GVMSZVLZAHOUHU-QHCPKHFHSA-O 1 0 402.474 3.326 50 30 HGEARO CCCCOC(=O)C[N+]1(CCNC(=O)c2nc(Cl)ccc2Cl)CCCCC1 ZINC000005309326 560563829 /nfs/dbraw/zinc/56/38/29/560563829.db2.gz DWTKXUGLGXBJCG-UHFFFAOYSA-O 1 0 417.357 3.462 50 30 HGEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102509112 560814854 /nfs/dbraw/zinc/81/48/54/560814854.db2.gz SGOOHTCWUHRINS-YDJIHCHBSA-N 1 0 423.469 3.277 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccn1 ZINC000020192480 568593768 /nfs/dbraw/zinc/59/37/68/568593768.db2.gz AYLAULNEYBOWAR-OAQYLSRUSA-N 1 0 423.513 3.319 50 30 HGEARO C[N@H+](CCOc1cccc(C#N)c1)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000095459848 568620009 /nfs/dbraw/zinc/62/00/09/568620009.db2.gz SIIYICYOVUFWNM-UHFFFAOYSA-N 1 0 404.514 3.284 50 30 HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccncc1 ZINC000005799401 568734756 /nfs/dbraw/zinc/73/47/56/568734756.db2.gz MNSAJYOVKWOIFA-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000005799182 568734787 /nfs/dbraw/zinc/73/47/87/568734787.db2.gz CRFYCZBMCRKYEW-MRJHHRETSA-N 1 0 408.498 3.457 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000004312061 568961103 /nfs/dbraw/zinc/96/11/03/568961103.db2.gz PIHRCBASQLZBSE-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1C ZINC000004312474 568961105 /nfs/dbraw/zinc/96/11/05/568961105.db2.gz SSSAQSDWIMAWMV-NRFANRHFSA-N 1 0 424.497 3.239 50 30 biogenic HGEARO C=CCOc1ccccc1C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(C)=O)n2CC1 ZINC000011783818 568992201 /nfs/dbraw/zinc/99/22/01/568992201.db2.gz JZDPBWRAGOUJGS-FQEVSTJZSA-N 1 0 411.550 3.125 50 30 HGEARO CC(C)(O)C#Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3ccco3)CC2)cc1 ZINC000011995891 568992695 /nfs/dbraw/zinc/99/26/95/568992695.db2.gz OKBODQRGDVHRAB-JOCHJYFZSA-N 1 0 406.526 3.321 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000019884828 569007970 /nfs/dbraw/zinc/00/79/70/569007970.db2.gz VPHXNKREYYLFFS-GOSISDBHSA-N 1 0 400.500 3.287 50 30 HGEARO C[N+](C)(CC#N)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239175792 569054031 /nfs/dbraw/zinc/05/40/31/569054031.db2.gz QQOPZLXXMIPEGK-NEWJYFPISA-N 1 0 414.529 3.325 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000006621794 569074935 /nfs/dbraw/zinc/07/49/35/569074935.db2.gz DUHWSQDJRQJEPU-MRJHHRETSA-N 1 0 421.497 3.020 50 30 HGEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000006783465 569120730 /nfs/dbraw/zinc/12/07/30/569120730.db2.gz QTGUPLGOOLZWQQ-NHFXJNLRSA-N 1 0 412.486 3.360 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000006785370 569121665 /nfs/dbraw/zinc/12/16/65/569121665.db2.gz HUCQFNJLMPYIQD-LCPUNJGISA-N 1 0 423.469 3.358 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccn2)cc1 ZINC000008742461 571110655 /nfs/dbraw/zinc/11/06/55/571110655.db2.gz CMDKTYYYJNGUMM-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO COc1cc(C=O)ccc1OCC#C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000008879873 571131468 /nfs/dbraw/zinc/13/14/68/571131468.db2.gz HLGGRVCZOPVRNO-GOSISDBHSA-N 1 0 424.473 3.001 50 30 biogenic HGEARO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000010456857 571303229 /nfs/dbraw/zinc/30/32/29/571303229.db2.gz OFJTZUBDBSWMOL-UHFFFAOYSA-N 1 0 406.530 3.098 50 30 HGEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039442509 519328870 /nfs/dbraw/zinc/32/88/70/519328870.db2.gz TZJJEOZLNGQEHO-XMMPIXPASA-N 1 0 410.533 3.017 50 30 HGEARO O=C(Nc1ccc(Cl)cc1)[C@H]1c2cccc[n+]2CC(=O)N1c1ccc2c(c1)OCO2 ZINC000013366954 527180180 /nfs/dbraw/zinc/18/01/80/527180180.db2.gz SWTXZXFLACTMKC-OAQYLSRUSA-O 1 0 422.848 3.083 50 30 HGEARO CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008738208 557803208 /nfs/dbraw/zinc/80/32/08/557803208.db2.gz IBGMDLLAVHEKQO-GHNGSUTGSA-N 1 0 400.500 3.130 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccncc1 ZINC000019972615 558316321 /nfs/dbraw/zinc/31/63/21/558316321.db2.gz SWKDMCAXFFPLAU-OAQYLSRUSA-N 1 0 423.513 3.319 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccnc1 ZINC000019972616 558316332 /nfs/dbraw/zinc/31/63/32/558316332.db2.gz RCGWEADQONGRIM-NRFANRHFSA-N 1 0 423.513 3.319 50 30 HGEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000020229583 558349878 /nfs/dbraw/zinc/34/98/78/558349878.db2.gz DMCNJSXFFJEQLL-NRFANRHFSA-N 1 0 421.497 3.176 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000013003174 558501325 /nfs/dbraw/zinc/50/13/25/558501325.db2.gz XGTLWEULLYKMDW-NRFANRHFSA-N 1 0 423.513 3.400 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)cc1 ZINC000013570465 558542019 /nfs/dbraw/zinc/54/20/19/558542019.db2.gz BRCBWIMGDGSNJU-HXUWFJFHSA-N 1 0 409.486 3.010 50 30 HGEARO COc1cc(-c2nc3c[n+](CC(=O)c4ccccc4)ccc3n2C)cc(OC)c1OC ZINC000017440216 558776752 /nfs/dbraw/zinc/77/67/52/558776752.db2.gz SLQZQVGZHWFXAL-UHFFFAOYSA-N 1 0 418.473 3.437 50 30 HGEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1Cl ZINC000017179722 558824909 /nfs/dbraw/zinc/82/49/09/558824909.db2.gz MMCHPYSNWOKPAQ-GOSISDBHSA-N 1 0 418.877 3.472 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000018057396 558830268 /nfs/dbraw/zinc/83/02/68/558830268.db2.gz DTCSOTYNSSRGKU-HXUWFJFHSA-N 1 0 412.461 3.283 50 30 HGEARO O=C1C[C@H](c2ccc(F)cc2)[C@@H](n2cncn2)C(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000013571596 558844554 /nfs/dbraw/zinc/84/45/54/558844554.db2.gz FXLNDTHFEDSOJP-STZQEDGTSA-N 1 0 404.445 3.414 50 30 HGEARO Cn1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)c2ccccc21 ZINC000013688599 558855162 /nfs/dbraw/zinc/85/51/62/558855162.db2.gz YWWVGUVBZYPHKU-NRFANRHFSA-N 1 0 418.497 3.103 50 30 HGEARO Cc1ncc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(C)C)cc2)c(C)n1 ZINC000013692637 558856181 /nfs/dbraw/zinc/85/61/81/558856181.db2.gz NFWOFRKOQDWQQT-OAQYLSRUSA-N 1 0 422.529 3.357 50 30 HGEARO COc1ccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000013728596 558861369 /nfs/dbraw/zinc/86/13/69/558861369.db2.gz GPPMYFYTKVGQKL-OAQYLSRUSA-N 1 0 419.481 3.316 50 30 HGEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000019582240 558937063 /nfs/dbraw/zinc/93/70/63/558937063.db2.gz NSPTUKXBJWRFEB-IBGZPJMESA-N 1 0 400.425 3.495 50 30 HGEARO C#CC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCCN1C(=O)OC(C)(C)C ZINC000240900784 559271974 /nfs/dbraw/zinc/27/19/74/559271974.db2.gz ITWGXKRPHGBXHM-SELNLUPBSA-N 1 0 403.567 3.253 50 30 HGEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000101294144 560790994 /nfs/dbraw/zinc/79/09/94/560790994.db2.gz GSGZMVQMTJPQTG-NHFXJNLRSA-N 1 0 410.470 3.136 50 30 HGEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000102522458 560816059 /nfs/dbraw/zinc/81/60/59/560816059.db2.gz XBXVQIVFYJNHNS-YDJIHCHBSA-N 1 0 412.461 3.126 50 30 HGEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000102557528 560817869 /nfs/dbraw/zinc/81/78/69/560817869.db2.gz BLFWUYVVOLIBHR-JBCNATCCSA-N 1 0 423.513 3.242 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000102622336 560818349 /nfs/dbraw/zinc/81/83/49/560818349.db2.gz PHSPKNPGSNJERP-YDJIHCHBSA-N 1 0 423.469 3.358 50 30 HGEARO COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102741044 560823555 /nfs/dbraw/zinc/82/35/55/560823555.db2.gz ZSVARHFCMJBCBP-MRJHHRETSA-N 1 0 419.481 3.160 50 30 HGEARO C[N+](C)(CC#N)CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000103194314 560840142 /nfs/dbraw/zinc/84/01/42/560840142.db2.gz QQOPZLXXMIPEGK-UEQSERJNSA-N 1 0 414.529 3.325 50 30 HGEARO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984869 560859158 /nfs/dbraw/zinc/85/91/58/560859158.db2.gz DGCFHJJFJWNOFP-FYYLOGMGSA-N 1 0 410.514 3.254 50 30 HGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000020112059 568588675 /nfs/dbraw/zinc/58/86/75/568588675.db2.gz KCIBTQFWUYJMPS-RXUMLTCKSA-N 1 0 424.585 3.330 50 30 biogenic HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccncc1 ZINC000020150193 568590631 /nfs/dbraw/zinc/59/06/31/568590631.db2.gz RJOPWMPASVGPHK-QGZVFWFLSA-N 1 0 414.531 3.075 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c1 ZINC000020150172 568590682 /nfs/dbraw/zinc/59/06/82/568590682.db2.gz QLJGKPYGJXPIES-FQEVSTJZSA-N 1 0 412.461 3.364 50 30 HGEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(OC)cc1 ZINC000020502111 568619502 /nfs/dbraw/zinc/61/95/02/568619502.db2.gz HJOYYNBTIPKYTC-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](C5CCCCC5)CC4)[C@H]3[C@H]3O[C@@]312 ZINC000020611917 568637428 /nfs/dbraw/zinc/63/74/28/568637428.db2.gz IPIRHHXNAVRGBD-UGRYOAFYSA-N 1 0 416.606 3.462 50 30 biogenic HGEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccnc1 ZINC000005799399 568734721 /nfs/dbraw/zinc/73/47/21/568734721.db2.gz WALLIZSZLAECFW-JBCNATCCSA-N 1 0 423.513 3.244 50 30 HGEARO COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000005799805 568735016 /nfs/dbraw/zinc/73/50/16/568735016.db2.gz IQASXXVNWJQYQZ-YDJIHCHBSA-N 1 0 412.461 3.208 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(OC)c2)c1 ZINC000005799840 568735243 /nfs/dbraw/zinc/73/52/43/568735243.db2.gz VQMXBBBYMLUYEP-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000005799877 568735257 /nfs/dbraw/zinc/73/52/57/568735257.db2.gz SIGFTWRIMNMFQM-LFVOPCPISA-N 1 0 414.889 3.332 50 30 HGEARO COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005799837 568735354 /nfs/dbraw/zinc/73/53/54/568735354.db2.gz DHYHDHNNAWMUBB-MRJHHRETSA-N 1 0 424.497 3.077 50 30 HGEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1 ZINC000004312060 568961101 /nfs/dbraw/zinc/96/11/01/568961101.db2.gz PIHRCBASQLZBSE-FQEVSTJZSA-N 1 0 409.486 3.010 50 30 HGEARO CC(C)(O)C#Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1 ZINC000012094213 568993035 /nfs/dbraw/zinc/99/30/35/568993035.db2.gz FACQMYKGJLMBEC-UHFFFAOYSA-N 1 0 406.530 3.191 50 30 HGEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCC([NH+]4CCCCC4)CC3)C(=O)O[C@@H]1C2 ZINC000082051311 569403189 /nfs/dbraw/zinc/40/31/89/569403189.db2.gz PPRQNSMKNMTHHR-NMVSFQQOSA-N 1 0 416.606 3.464 50 30 biogenic HGEARO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000040072569 571153259 /nfs/dbraw/zinc/15/32/59/571153259.db2.gz MEDDCGMKGZHZLR-UHFFFAOYSA-N 1 0 418.545 3.048 50 30 HGEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)cc1 ZINC000009349895 571250575 /nfs/dbraw/zinc/25/05/75/571250575.db2.gz ITTBOSGXBUVSHK-OAQYLSRUSA-N 1 0 423.513 3.256 50 30 HGEARO