smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)cnn1C)c1ccccc1 ZINC000095575705 541107702 /nfs/dbraw/zinc/10/77/02/541107702.db2.gz FSRBEBAWESSVKK-LJQANCHMSA-N -1 0 481.552 6.180 1 0 JKAFRM C[C@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)[O-])cc1)C1=C(Cl)CCCC1 ZINC000028903681 541108002 /nfs/dbraw/zinc/10/80/02/541108002.db2.gz RXDYETAEWGWCSO-AWEZNQCLSA-N -1 0 464.971 6.053 1 0 JKAFRM C[C@H](OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)cnn1C)c1ccc(F)cc1 ZINC000095572752 541108024 /nfs/dbraw/zinc/10/80/24/541108024.db2.gz KADNHYHIFGASJE-SFHVURJKSA-N -1 0 499.542 6.319 1 0 JKAFRM C[C@@H](OC(=O)Nc1conc1-c1ccc(CSCCS(=O)(=O)[O-])cc1)c1ccccc1Cl ZINC000028903580 541108337 /nfs/dbraw/zinc/10/83/37/541108337.db2.gz BBAUSNASLABTDO-CQSZACIVSA-N -1 0 496.994 5.426 1 0 JKAFRM Cc1nnn(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)c1NC(=O)O[C@H](C)C1CCC1 ZINC000095579898 541108387 /nfs/dbraw/zinc/10/83/87/541108387.db2.gz SBJZFGASZPMUOO-QGZVFWFLSA-N -1 0 460.534 5.096 1 0 JKAFRM CC1(C)CC2=C3C=C[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])C[C@H]1O ZINC000059588926 291566600 /nfs/dbraw/zinc/56/66/00/291566600.db2.gz NOLMPTYBPSBINV-MRGBOESTSA-N -1 0 468.678 6.333 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000085491550 291567611 /nfs/dbraw/zinc/56/76/11/291567611.db2.gz MDZKJHQSJHYOHJ-UGOIVRRFSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]43C)[C@H]2C1 ZINC000070454313 291567617 /nfs/dbraw/zinc/56/76/17/291567617.db2.gz MDZKJHQSJHYOHJ-KRKSXQQLSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@@H]1O ZINC000070455320 291567618 /nfs/dbraw/zinc/56/76/18/291567618.db2.gz XJMYUPJDAFKICJ-QBGBOOMTSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000035570685 291568549 /nfs/dbraw/zinc/56/85/49/291568549.db2.gz RWNHLTKFBKYDOJ-UESYTDEWSA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM CC1(C)C[C@H](O)[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000039036211 291569836 /nfs/dbraw/zinc/56/98/36/291569836.db2.gz HCISIQALOMLBND-LLUAOXPXSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000032036901 291593695 /nfs/dbraw/zinc/59/36/95/291593695.db2.gz ZZTYPLSBNNGEIS-QHANTZTQSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000070454965 291593696 /nfs/dbraw/zinc/59/36/96/291593696.db2.gz YLHQFGOOMKJFLP-QJMWMNNASA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000085644394 291593698 /nfs/dbraw/zinc/59/36/98/291593698.db2.gz OXVUXGFZHDKYLS-ZDGBKMGOSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000070454532 291594269 /nfs/dbraw/zinc/59/42/69/291594269.db2.gz PEMTYRITAVXZON-XJCRBXBZSA-N -1 0 474.726 6.284 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@@]2(C)CC[C@@]13CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)[O-])C[C@H]5[C@]4(C)CC[C@@]1(C)[C@@H]3CC2 ZINC000069482204 291594845 /nfs/dbraw/zinc/59/48/45/291594845.db2.gz GPXYBNVLPLPUAA-NRUHJHLCSA-N -1 0 468.766 8.733 1 0 biogenic,in-vitro JKAFRM C[C@H]1C[C@@]2(C(=O)[O-])CCC(C)(C)C[C@@H]2C2=CC[C@H]3[C@@](C)(CC[C@@H]4[C@]5(C)CO[C@@H]5CC[C@@]34C)[C@H]21 ZINC000070454059 291597841 /nfs/dbraw/zinc/59/78/41/291597841.db2.gz QYHSVQAXUQAAJM-XGBAJGRASA-N -1 0 454.695 7.108 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000070454496 517511589 /nfs/dbraw/zinc/51/15/89/517511589.db2.gz BUOLSBLQAQNNJC-DDXIYVJUSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000033832838 520412893 /nfs/dbraw/zinc/41/28/93/520412893.db2.gz IZWBODJDDBCDFA-DXEZAUPJSA-N -1 0 470.694 6.413 1 0 in-vitro JKAFRM C[C@@H]1C[C@H](C)CN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(c4cc(Cl)ccc4Cl)C3=O)[C@@H]12 ZINC000071405188 525390686 /nfs/dbraw/zinc/39/06/86/525390686.db2.gz SPJVHAQEQMRTBO-AAFMXAAGSA-N -1 0 472.372 5.510 2 0 JKAFRM CCC[C@H](Oc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000082158055 551090496 /nfs/dbraw/zinc/09/04/96/551090496.db2.gz RSJWMKGJEAKNNJ-NRFANRHFSA-N -1 0 475.467 5.016 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000070455302 560047350 /nfs/dbraw/zinc/04/73/50/560047350.db2.gz WCXZTKJFWJFMJG-OKVDMLGOSA-N -1 0 470.694 6.414 1 0 biogenic,in-vitro JKAFRM C[C@H]1CC(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)[O-])C[C@@H]4[C@]3(C)CC[C@]12C ZINC000070455297 560047358 /nfs/dbraw/zinc/04/73/58/560047358.db2.gz DRSWBGGFWRJYSC-KSOWXSEISA-N -1 0 456.711 7.522 1 0 biogenic,in-vitro JKAFRM C/C(=C\Cc1c2oc(-c3cc(O)cc(O)c3)cc2c2c(c1O)OC(C)(C)CC2)CCCC(C)(C)O ZINC000070455281 560047423 /nfs/dbraw/zinc/04/74/23/560047423.db2.gz SWWOADONZJWLND-CAOOACKPSA-N -1 0 480.601 6.750 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]43C)[C@H]2C1 ZINC000070454411 560048498 /nfs/dbraw/zinc/04/84/98/560048498.db2.gz MIJYXULNPSFWEK-ICZVBWPOSA-N -1 0 456.711 7.234 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000070454242 560048507 /nfs/dbraw/zinc/04/85/07/560048507.db2.gz RWNHLTKFBKYDOJ-DBJMCWOWSA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@H]1CCC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000095914407 560055829 /nfs/dbraw/zinc/05/58/29/560055829.db2.gz NTJXPXFVWCLNTO-IQAYXDHWSA-N -1 0 468.722 8.142 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@@H](O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000095098941 560062853 /nfs/dbraw/zinc/06/28/53/560062853.db2.gz ZXBJSKCQAZPJBS-QAGFVMRRSA-N -1 0 474.726 6.284 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@@]34C)[C@H]2C1 ZINC000085530889 560073395 /nfs/dbraw/zinc/07/33/95/560073395.db2.gz IZWBODJDDBCDFA-ZZHJOTSDSA-N -1 0 470.694 6.413 1 0 biogenic,in-vitro JKAFRM C[C@@H]1[C@@]23CO[C@@]1(O)C[C@@H]1CC[C@H]4C[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@@H](CC2)[C@]4(C)[C@H]13 ZINC000085530817 560073398 /nfs/dbraw/zinc/07/33/98/560073398.db2.gz UPEALSSZYQVTCR-OCUZQHMUSA-N -1 0 498.748 6.898 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000059586429 560082959 /nfs/dbraw/zinc/08/29/59/560082959.db2.gz URJXGGPELKALMS-HLYSYWIOSA-N -1 0 456.711 7.378 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])[C@H](C1)C1=CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O ZINC000003978840 560192904 /nfs/dbraw/zinc/19/29/04/560192904.db2.gz YKOPWPOFWMYZJZ-VUJDVLHSSA-N -1 0 472.710 6.204 1 0 in-vitro JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003983865 560193075 /nfs/dbraw/zinc/19/30/75/560193075.db2.gz PHFUCJXOLZAQNH-YRWWGNHRSA-N -1 0 498.748 7.660 1 0 in-vitro JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003983866 560193088 /nfs/dbraw/zinc/19/30/88/560193088.db2.gz PHFUCJXOLZAQNH-DQSUUBJESA-N -1 0 498.748 7.660 1 0 in-vitro JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000014510878 560222095 /nfs/dbraw/zinc/22/20/95/560222095.db2.gz XLPAINGDLCDYQV-XBYLVVDTSA-N -1 0 454.695 7.752 1 0 biogenic,in-vitro JKAFRM CC(C)=CCC/C(C)=C/Cc1c(O)c(C(=O)CC(C)C)c([O-])c2c(-c3ccccc3)cc(=O)oc12 ZINC000015120536 560228637 /nfs/dbraw/zinc/22/86/37/560228637.db2.gz VRRSSMIKCUVMEF-XSFVSMFZSA-N -1 0 474.597 7.335 1 0 biogenic,in-vitro JKAFRM C[C@]1(CCC(=O)[O-])CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1 ZINC000000589768 562918047 /nfs/dbraw/zinc/91/80/47/562918047.db2.gz GTACCOSBAZIBSI-PMERELPUSA-N -1 0 497.547 5.982 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)NCCC(=O)[O-])c(Cl)c1Cl ZINC000000593741 562918189 /nfs/dbraw/zinc/91/81/89/562918189.db2.gz UAGCAOFGPDUCEN-CVEARBPZSA-N -1 0 452.403 5.962 1 0 JKAFRM COc1ccc2c(c1)c(Cc1ccccc1OCC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000593907 562918227 /nfs/dbraw/zinc/91/82/27/562918227.db2.gz ADWNMHCJSZMYGA-UHFFFAOYSA-N -1 0 463.917 5.354 1 0 JKAFRM Cn1ccc2cc(Sc3ccc(/C=C/C(=O)N4CCC(C(=O)[O-])CC4)c(Cl)c3Cl)ccc21 ZINC000001494334 562920371 /nfs/dbraw/zinc/92/03/71/562920371.db2.gz AIXJUFNJLMLMNA-XVNBXDOJSA-N -1 0 489.424 5.973 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C ZINC000001533684 562920449 /nfs/dbraw/zinc/92/04/49/562920449.db2.gz JLHKPOPFBUPOBJ-UHFFFAOYSA-N -1 0 489.678 6.941 1 0 JKAFRM CC(C)Cc1ccc([C@H](C)Oc2ccc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)cc2)cc1 ZINC000001535436 562920541 /nfs/dbraw/zinc/92/05/41/562920541.db2.gz SMSOYFGWXDACGL-QFIPXVFZSA-N -1 0 483.608 7.076 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2cccnc2)c1-3 ZINC000001539148 562920813 /nfs/dbraw/zinc/92/08/13/562920813.db2.gz UUTBVRWXRIDYBT-UHFFFAOYSA-N -1 0 490.647 7.411 1 0 JKAFRM CCCN1c2ccccc2C(=O)N(CC(=O)[O-])c2cc(NCc3cccc4ccccc43)ccc21 ZINC000001542052 562920907 /nfs/dbraw/zinc/92/09/07/562920907.db2.gz SFJAHCMIICUNGP-UHFFFAOYSA-N -1 0 465.553 6.045 1 0 JKAFRM CCCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(C(=O)[O-])n2Cc1ccc2nsnc2c1 ZINC000001545587 562921020 /nfs/dbraw/zinc/92/10/20/562921020.db2.gz LQKHSTBTPGBUTB-UHFFFAOYSA-N -1 0 487.537 5.577 1 0 JKAFRM CCn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000001549391 562921114 /nfs/dbraw/zinc/92/11/14/562921114.db2.gz DCIIPAVLKWKYHU-UHFFFAOYSA-N -1 0 474.560 7.034 1 0 JKAFRM CCCCc1ncc(/C=C(\Cc2ccc(N(C)C)cc2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000001552592 562921302 /nfs/dbraw/zinc/92/13/02/562921302.db2.gz IDCBGCPWGZSCEQ-LTGZKZEYSA-N -1 0 451.998 5.704 1 0 JKAFRM CC(C)COP(=O)(OCC(C)C)C([N-]S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000001649984 562922336 /nfs/dbraw/zinc/92/23/36/562922336.db2.gz QZYYWKNKUGBERL-UHFFFAOYSA-N -1 0 499.410 5.324 1 0 JKAFRM O=C([O-])CSCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001914963 562924275 /nfs/dbraw/zinc/92/42/75/562924275.db2.gz GKEJNNCMNQFEFH-UHFFFAOYSA-N -1 0 470.638 7.262 1 0 JKAFRM O=C([O-])CCCCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000002014488 562924562 /nfs/dbraw/zinc/92/45/62/562924562.db2.gz QVBSSLSOGBPBLX-UHFFFAOYSA-N -1 0 452.598 7.699 1 0 JKAFRM O=C([O-])[C@@H]1Cc2cc(Oc3ccccc3)ccc2CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000003796576 562928282 /nfs/dbraw/zinc/92/82/82/562928282.db2.gz PIPJSFBWYDVNLK-MHZLTWQESA-N -1 0 463.533 5.649 1 0 JKAFRM CCCc1ccc(CC[C@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 ZINC000003807519 562928612 /nfs/dbraw/zinc/92/86/12/562928612.db2.gz NKDAHLSBYWSQCA-NOZRDPDXSA-N -1 0 466.622 5.222 1 0 JKAFRM COc1cccc(OC)c1C(=O)C[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(C(=O)[O-])c1 ZINC000003812583 562928749 /nfs/dbraw/zinc/92/87/49/562928749.db2.gz RFSLATSIDGTWRY-IBGZPJMESA-N -1 0 466.917 5.685 1 0 JKAFRM Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)[O-])cc3)nc21 ZINC000003815261 562928805 /nfs/dbraw/zinc/92/88/05/562928805.db2.gz CBIJGNHFFWAGLZ-UHFFFAOYSA-N -1 0 483.355 5.453 1 0 JKAFRM O=[P@@]([O-])(O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000003825144 562929442 /nfs/dbraw/zinc/92/94/42/562929442.db2.gz JQBLIOYSWAGJMM-UHFFFAOYSA-N -1 0 471.320 7.005 1 0 JKAFRM CC(C)(C)[C@@]1(C(=O)[O-])Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 ZINC000003938062 562930244 /nfs/dbraw/zinc/93/02/44/562930244.db2.gz HPYIQQQHHIUWKI-NRFANRHFSA-N -1 0 474.859 5.501 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 ZINC000003942924 562930397 /nfs/dbraw/zinc/93/03/97/562930397.db2.gz RKPUHYCGNGSOCF-UHFFFAOYSA-N -1 0 477.605 5.893 1 0 JKAFRM COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C/C=C\CCCC(=O)[O-])oc1ccccc12 ZINC000003951163 562930712 /nfs/dbraw/zinc/93/07/12/562930712.db2.gz OUEAEINSYRDRPI-XCXJXHAISA-N -1 0 497.613 5.489 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Br)cc4)cc3)nc2c1 ZINC000003959855 562931002 /nfs/dbraw/zinc/93/10/02/562931002.db2.gz RNACWRJVLZGSHH-UUILKARUSA-N -1 0 477.314 5.536 1 0 JKAFRM CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H](CCc3ccoc3)/C(=C/OS(=O)(=O)[O-])CC[C@H]12 ZINC000005766572 562934810 /nfs/dbraw/zinc/93/48/10/562934810.db2.gz WGQUKTHZSJRQFE-KBXPMNBXSA-N -1 0 450.641 6.574 1 0 JKAFRM CC1(C)[C@@H]2CCC3=C(CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@@H]1O ZINC000005855884 562935590 /nfs/dbraw/zinc/93/55/90/562935590.db2.gz BHVJSLPLFOAMEV-QKGVSOBGSA-N -1 0 456.711 7.378 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c3c(n([C@@H](CF)c4ccc(Cl)cc4)c21)[C@@H](CC(=O)[O-])CCC3 ZINC000006717489 562938153 /nfs/dbraw/zinc/93/81/53/562938153.db2.gz TYICFEDVTALVHL-KUHUBIRLSA-N -1 0 481.948 5.291 1 0 JKAFRM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000008609250 562947299 /nfs/dbraw/zinc/94/72/99/562947299.db2.gz WIHQSSYDRKKXML-GOSISDBHSA-N -1 0 466.456 5.109 1 0 JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C ZINC000008681342 562951249 /nfs/dbraw/zinc/95/12/49/562951249.db2.gz RIXNFYQZWDGQAE-OMUIXZLPSA-N -1 0 498.748 7.804 1 0 JKAFRM O=C([O-])Cn1cc(Cc2nc3cc(C(F)(F)F)ccc3s2)c2ccc(Br)cc21 ZINC000011536149 562957391 /nfs/dbraw/zinc/95/73/91/562957391.db2.gz ZMUDJFYABJTCOO-UHFFFAOYSA-N -1 0 469.282 5.708 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc2c(c1)S[C@@](C(=O)[O-])(c1ccccc1)S2 ZINC000011686826 562957483 /nfs/dbraw/zinc/95/74/83/562957483.db2.gz DUBTZNCRYQSXDY-RUZDIDTESA-N -1 0 461.612 5.876 1 0 JKAFRM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(Oc2ccccc2)c1 ZINC000012341150 562959422 /nfs/dbraw/zinc/95/94/22/562959422.db2.gz CBMHIMZUNFBWLA-UHFFFAOYSA-N -1 0 477.438 7.115 1 0 investigational JKAFRM CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3cc(Br)ccc32)cc1)C(=O)[O-] ZINC000012358195 562959520 /nfs/dbraw/zinc/95/95/20/562959520.db2.gz WRSFLISDAGMKHV-DEOSSOPVSA-N -1 0 482.374 5.668 1 0 JKAFRM CCO[C@@H](Cc1ccc(OCC[C@@H]2Sc3ccccc3Oc3ccccc32)cc1)C(=O)[O-] ZINC000012358178 562959546 /nfs/dbraw/zinc/95/95/46/562959546.db2.gz TUADPXVZIXAGBG-ZEQRLZLVSA-N -1 0 450.556 6.127 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCSc1ccc(CC(=O)[O-])cc1Cl ZINC000012358236 562959564 /nfs/dbraw/zinc/95/95/64/562959564.db2.gz NVVUNCYOVFKRLC-UHFFFAOYSA-N -1 0 496.028 7.289 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1cccc(C(C)(C)C(=O)[O-])c1 ZINC000012358240 562959572 /nfs/dbraw/zinc/95/95/72/562959572.db2.gz BTDKIISXXJHMST-UHFFFAOYSA-N -1 0 487.596 7.048 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000012358250 562959597 /nfs/dbraw/zinc/95/95/97/562959597.db2.gz OMZLWUCIRCWAKE-FQEVSTJZSA-N -1 0 489.568 6.537 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1F ZINC000012358266 562959618 /nfs/dbraw/zinc/95/96/18/562959618.db2.gz JQTFXOHYNAIVNX-RUZDIDTESA-N -1 0 495.572 6.443 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012358245 562959624 /nfs/dbraw/zinc/95/96/24/562959624.db2.gz QNBSPVOSPHERSL-SFQUDFHCSA-N -1 0 457.526 6.393 1 0 JKAFRM CC(F)(F)CCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)[O-])Oc2ccccc21 ZINC000012358428 562959680 /nfs/dbraw/zinc/95/96/80/562959680.db2.gz VMUZJWMCFFUYIX-JOCHJYFZSA-N -1 0 461.505 5.092 1 0 JKAFRM CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358495 562959716 /nfs/dbraw/zinc/95/97/16/562959716.db2.gz UMCOHKMLPVPQBF-RUZDIDTESA-N -1 0 493.581 6.009 1 0 JKAFRM CC[C@@](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000012358535 562959821 /nfs/dbraw/zinc/95/98/21/562959821.db2.gz PWZALNZYZAMBJL-LJAQVGFWSA-N -1 0 471.553 6.126 1 0 JKAFRM CCCc1cc(C2CCC(C)(C)CC2)ccc1OCCCOc1cccc([C@H]2OC(=O)[N-]C2=O)c1 ZINC000012358520 562959823 /nfs/dbraw/zinc/95/98/23/562959823.db2.gz FROPLQNRWKTHEE-AREMUKBSSA-N -1 0 479.617 6.478 1 0 JKAFRM CCCC[C@@](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000012358537 562959836 /nfs/dbraw/zinc/95/98/36/562959836.db2.gz REGUENFVHBQQHK-HKBQPEDESA-N -1 0 499.607 6.907 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@](CC)(C(=O)[O-])CC2 ZINC000012358551 562959862 /nfs/dbraw/zinc/95/98/62/562959862.db2.gz PSMAGJYUQUDBIP-PMERELPUSA-N -1 0 490.596 6.838 1 0 JKAFRM CCCc1cc2c(=O)n(C3CCCCC3)oc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358600 562959896 /nfs/dbraw/zinc/95/98/96/562959896.db2.gz DORFXNJOHDSOAZ-MHZLTWQESA-N -1 0 493.644 7.333 1 0 JKAFRM CCCc1cc2c(oc(=O)n2CCC)c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358591 562959904 /nfs/dbraw/zinc/95/99/04/562959904.db2.gz VGNJRUSCVGOQDZ-DEOSSOPVSA-N -1 0 453.579 6.238 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)O[C@H](C(=O)[O-])CC2 ZINC000012358547 562959911 /nfs/dbraw/zinc/95/99/11/562959911.db2.gz DYNYHTZWMQNCJA-MHZLTWQESA-N -1 0 476.569 6.448 1 0 JKAFRM CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3C[C@@](C)(CO)[C@@H](O)C[C@]3(C(=O)[O-])CC[C@]21C ZINC000012726390 562960831 /nfs/dbraw/zinc/96/08/31/562960831.db2.gz QXFJACMLXSJEMH-PWBCACAPSA-N -1 0 488.709 5.177 3 0 JKAFRM CCCC[C@](C)(CC)C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)C(=O)[O-] ZINC000013443113 562963801 /nfs/dbraw/zinc/96/38/01/562963801.db2.gz VXCKTYMFCSKBKQ-CUBQBAPOSA-N -1 0 475.589 5.206 1 0 JKAFRM O=C([O-])c1ccccc1CCn1nnc(-c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n1 ZINC000013452847 562964896 /nfs/dbraw/zinc/96/48/96/562964896.db2.gz RQLPGLANYQRJQH-XYOKQWHBSA-N -1 0 481.943 5.653 1 0 JKAFRM O=C([O-])c1sccc1Cn1nnc(-c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n1 ZINC000013452843 562964908 /nfs/dbraw/zinc/96/49/08/562964908.db2.gz SEHUCVDYXFDJGT-XBXARRHUSA-N -1 0 473.945 5.520 1 0 JKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1cccc(OC)c1)O2 ZINC000013473422 562966267 /nfs/dbraw/zinc/96/62/67/562966267.db2.gz JSKXTOKWSUOTKS-HHHXNRCGSA-N -1 0 474.509 5.623 1 0 JKAFRM Cc1ccc(C2=C(C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)s1 ZINC000013473490 562966279 /nfs/dbraw/zinc/96/62/79/562966279.db2.gz FSKVJGRQYIHVTI-XMMPIXPASA-N -1 0 450.512 5.593 1 0 JKAFRM COc1ccc(OC2=C(C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473480 562966285 /nfs/dbraw/zinc/96/62/85/562966285.db2.gz GSZJAFQLGMAJHZ-VWLOTQADSA-N -1 0 476.481 5.220 1 0 JKAFRM COc1ccc(OC2=C(C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473479 562966286 /nfs/dbraw/zinc/96/62/86/562966286.db2.gz GSZJAFQLGMAJHZ-RUZDIDTESA-N -1 0 476.481 5.220 1 0 JKAFRM CCOc1ccc(-c2cc(C)nc(O[C@@H](C(=O)[O-])C(C)(c3ccccc3)c3ccccc3)n2)cc1 ZINC000013489782 562968854 /nfs/dbraw/zinc/96/88/54/562968854.db2.gz KWXXXHXCVVFIMQ-SANMLTNESA-N -1 0 468.553 5.689 1 0 JKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1cccc(Br)c1 ZINC000013489809 562968925 /nfs/dbraw/zinc/96/89/25/562968925.db2.gz TUXBUCNBYMCXKS-UHFFFAOYSA-N -1 0 492.213 6.167 1 0 JKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1ccc(Br)cc1 ZINC000013489816 562968953 /nfs/dbraw/zinc/96/89/53/562968953.db2.gz ACXPVVYEQNNZBX-UHFFFAOYSA-N -1 0 492.213 6.167 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccccc2-c2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000013521234 562970884 /nfs/dbraw/zinc/97/08/84/562970884.db2.gz BCLHVIXHPNNBKL-ZYPSWUJOSA-N -1 0 453.604 5.248 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)s2)[C@@H]2CC[C@H]1C2 ZINC000013521219 562970886 /nfs/dbraw/zinc/97/08/86/562970886.db2.gz FIAXLKPDNOICBV-BWBSXBABSA-N -1 0 459.633 5.309 1 0 JKAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3C/C=C\CCCC(=O)[O-])cc2)cc1 ZINC000013521223 562970904 /nfs/dbraw/zinc/97/09/04/562970904.db2.gz SEIPOYUYMPTWEN-GYXFMLPCSA-N -1 0 483.630 5.256 1 0 JKAFRM CC1(C)[C@@H]2C[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H](NS(=O)(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000013521376 562970969 /nfs/dbraw/zinc/97/09/69/562970969.db2.gz KYJURYUFKJKHRP-GEXSXJSESA-N -1 0 481.658 5.884 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521310 562970974 /nfs/dbraw/zinc/97/09/74/562970974.db2.gz MDVFRJNZJFYFGJ-ZWVGCNFASA-N -1 0 492.641 5.729 1 0 JKAFRM O=C([O-])CCc1ccccc1-c1cccc(-c2ccccc2OCc2c(Cl)cccc2Cl)c1 ZINC000013554034 562973602 /nfs/dbraw/zinc/97/36/02/562973602.db2.gz KBFGHQGPIMECQN-UHFFFAOYSA-N -1 0 477.387 7.924 1 0 JKAFRM O=S(=O)([N-]c1ccc2c(/C=C/c3cc(Cl)c4ccccc4n3)cccc2c1)C(F)(F)F ZINC000013560080 562975163 /nfs/dbraw/zinc/97/51/63/562975163.db2.gz KFXPPIODFLJZJG-CMDGGOBGSA-N -1 0 462.880 6.473 1 0 JKAFRM COc1ccc2nc(/C=C/c3cccc4cc([N-]S(=O)(=O)C(F)(F)F)ccc34)ccc2c1 ZINC000013560075 562975201 /nfs/dbraw/zinc/97/52/01/562975201.db2.gz VNHDARHZIXCZOZ-FNORWQNLSA-N -1 0 458.461 5.829 1 0 JKAFRM O=S(=O)([N-]c1ccc2c(/C=C/c3ccc4cccc(Cl)c4n3)cccc2c1)C(F)(F)F ZINC000013560079 562975217 /nfs/dbraw/zinc/97/52/17/562975217.db2.gz UKJWCVZWFUYOCL-VQHVLOKHSA-N -1 0 462.880 6.473 1 0 JKAFRM O=C([O-])c1ccc(CNc2ccc3c(/C=C/c4ccc5ccc(Cl)cc5n4)cccc3c2)cc1 ZINC000013560095 562975274 /nfs/dbraw/zinc/97/52/74/562975274.db2.gz HIPJFHFIXBZLQS-FMIVXFBMSA-N -1 0 464.952 7.522 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2-c2ncco2)c1Cl ZINC000013560317 562975366 /nfs/dbraw/zinc/97/53/66/562975366.db2.gz WIDWAOUINOXRGU-UHFFFAOYSA-N -1 0 492.966 5.023 1 0 JKAFRM CCCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c(C(=O)[O-])cnc3ccccc32)cc1 ZINC000013560865 562975535 /nfs/dbraw/zinc/97/55/35/562975535.db2.gz YTTIXITYBOTKQS-UHFFFAOYSA-N -1 0 464.569 6.352 1 0 JKAFRM O=C([O-])COc1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCCC2)c1 ZINC000013587679 562977240 /nfs/dbraw/zinc/97/72/40/562977240.db2.gz DRYRSZJMPVXTOL-UHFFFAOYSA-N -1 0 465.549 7.042 1 0 JKAFRM COc1cc(/C=C/c2ccc3c(Br)cc(Br)c([O-])c3n2)ccc1O ZINC000013597225 562978263 /nfs/dbraw/zinc/97/82/63/562978263.db2.gz LJHFHFMKDNYWHI-DUXPYHPUSA-N -1 0 451.114 5.350 1 0 JKAFRM CCOc1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2Oc2ccccc2)cc1 ZINC000013611209 562979353 /nfs/dbraw/zinc/97/93/53/562979353.db2.gz QSYANECPAPRBJF-UHFFFAOYSA-N -1 0 453.494 6.495 1 0 JKAFRM CN1CCN(C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccc(Cl)cc2)CC1 ZINC000013646597 562980742 /nfs/dbraw/zinc/98/07/42/562980742.db2.gz LPHHBWPOGXWTGT-UHFFFAOYSA-N -1 0 494.035 5.482 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cn1cc(C(C)=O)c2ccc(NC(=O)OC3CCCC3)cc21 ZINC000013650703 562981272 /nfs/dbraw/zinc/98/12/72/562981272.db2.gz PNHRAQMMHPKRGA-UHFFFAOYSA-N -1 0 450.491 5.090 1 0 JKAFRM CCC(SCCc1c(CO)oc2c1cccc2OCC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000013671558 562982460 /nfs/dbraw/zinc/98/24/60/562982460.db2.gz ANAJKRIABHPZSH-UHFFFAOYSA-N -1 0 476.594 6.018 1 0 JKAFRM CC[C@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671817 562982538 /nfs/dbraw/zinc/98/25/38/562982538.db2.gz CVHHHTQDCPXBGQ-OAQYLSRUSA-N -1 0 474.859 5.297 1 0 JKAFRM CC[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671815 562982552 /nfs/dbraw/zinc/98/25/52/562982552.db2.gz CVHHHTQDCPXBGQ-NRFANRHFSA-N -1 0 474.859 5.297 1 0 JKAFRM CC[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(SC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671848 562982609 /nfs/dbraw/zinc/98/26/09/562982609.db2.gz WHWPVAADIVXXOH-FQEVSTJZSA-N -1 0 476.900 5.968 1 0 JKAFRM CC(C)[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3cc(C(F)(F)F)ccc3Cl)ccc2O1 ZINC000013671857 562982652 /nfs/dbraw/zinc/98/26/52/562982652.db2.gz SMCRKNZAMTWIDL-OAQYLSRUSA-N -1 0 458.860 5.621 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccccc3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674684 562983034 /nfs/dbraw/zinc/98/30/34/562983034.db2.gz UKLPIJHZDHDDID-UHFFFAOYSA-N -1 0 468.597 6.781 1 0 JKAFRM CC1(c2nc(C(=O)Nc3cccc(C(=O)[O-])c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)CCCCC1 ZINC000013674744 562983107 /nfs/dbraw/zinc/98/31/07/562983107.db2.gz SENALJXYBWJQJJ-UHFFFAOYSA-N -1 0 489.660 6.731 1 0 JKAFRM Cc1ccccc1-c1nc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674707 562983167 /nfs/dbraw/zinc/98/31/67/562983167.db2.gz UAUAYXKIQBNMBX-UHFFFAOYSA-N -1 0 497.639 6.414 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1cccc2c1ccn2CCC(=O)[O-] ZINC000013677984 562983758 /nfs/dbraw/zinc/98/37/58/562983758.db2.gz IHORVCQOZNLXQR-UHFFFAOYSA-N -1 0 490.478 6.076 1 0 JKAFRM CC(C)C(=O)Nc1cc2c(cc1CCc1cccc3ccccc31)[C@H](C(=O)[O-])C[C@H]2c1cccs1 ZINC000013679506 562984033 /nfs/dbraw/zinc/98/40/33/562984033.db2.gz JPSNFQFECJIVDG-CLJLJLNGSA-N -1 0 483.633 6.985 1 0 JKAFRM O=c1[nH]c2sc(Cl)c(C3CCCCC3)c2c([O-])c1-c1cccc(Oc2ccccc2)c1 ZINC000013680075 562984093 /nfs/dbraw/zinc/98/40/93/562984093.db2.gz FCZVLCJHLGQCPR-UHFFFAOYSA-N -1 0 451.975 7.456 1 0 JKAFRM CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013681503 562984212 /nfs/dbraw/zinc/98/42/12/562984212.db2.gz XNMKUDNOJPRNBG-UHFFFAOYSA-N -1 0 489.543 5.896 1 0 JKAFRM O=C([O-])Cn1ccc2c1cccc2OCCCOc1ccc2cc(C(=O)c3ccccc3)ccc2c1 ZINC000013681510 562984222 /nfs/dbraw/zinc/98/42/22/562984222.db2.gz PPVXGVGCRLCSQA-UHFFFAOYSA-N -1 0 479.532 5.958 1 0 JKAFRM O=C([O-])COc1cccc(CCc2nc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)o2)c1 ZINC000013727430 562984987 /nfs/dbraw/zinc/98/49/87/562984987.db2.gz GMJPUCAROODKIE-UHFFFAOYSA-N -1 0 468.336 6.564 1 0 JKAFRM NC(=O)CCS[C@H](SCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000013727981 562985063 /nfs/dbraw/zinc/98/50/63/562985063.db2.gz GFLLPUKOZOHDNV-CZDPRXMLSA-N -1 0 487.046 5.874 1 0 JKAFRM O=C([O-])CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1=O ZINC000013727548 562985067 /nfs/dbraw/zinc/98/50/67/562985067.db2.gz SDNDOUUYXVWPIE-UHFFFAOYSA-N -1 0 480.608 7.060 1 0 JKAFRM O=C([O-])CCCCCOc1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)cc(-c2ccccc2)n1 ZINC000013729761 562985137 /nfs/dbraw/zinc/98/51/37/562985137.db2.gz DATRLPAIFYGEBS-UHFFFAOYSA-N -1 0 472.463 5.940 1 0 JKAFRM C[C@@H](CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000013729817 562985143 /nfs/dbraw/zinc/98/51/43/562985143.db2.gz LKWMUZSBLQRLJV-INIZCTEOSA-N -1 0 453.922 6.068 1 0 JKAFRM COc1ccc(-c2cccc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C ZINC000013731566 562985239 /nfs/dbraw/zinc/98/52/39/562985239.db2.gz HFUNGTCBEHVZMT-NDEPHWFRSA-N -1 0 491.587 5.841 1 0 JKAFRM Cc1cc(C)c(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)[O-])c3cccnc3)cc2)c(C)c1 ZINC000013733195 562985574 /nfs/dbraw/zinc/98/55/74/562985574.db2.gz SOUOKSHPPGIZRL-MWRNPHMMSA-N -1 0 492.641 5.214 1 0 JKAFRM CCCc1ccc(CCC(=O)[O-])cc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC ZINC000013738050 562986399 /nfs/dbraw/zinc/98/63/99/562986399.db2.gz NUDWJGREVDPBAJ-UHFFFAOYSA-N -1 0 452.551 5.162 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2cccc3c(NCCCCCc4ccccc4)cccc32)c1C ZINC000013741061 562987026 /nfs/dbraw/zinc/98/70/26/562987026.db2.gz LRDWMBWBLYGLHC-UHFFFAOYSA-N -1 0 463.603 6.070 1 0 JKAFRM CCCC[C@H](CCC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742337 562987324 /nfs/dbraw/zinc/98/73/24/562987324.db2.gz PTKISLBHPBYWKH-KBGZPSNVSA-N -1 0 490.644 7.458 1 0 JKAFRM CC1(C)CCSc2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2cccnc2)c1-3 ZINC000013742707 562987567 /nfs/dbraw/zinc/98/75/67/562987567.db2.gz DMTSFOMFLWHJNE-UHFFFAOYSA-N -1 0 480.633 6.836 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)nn(Cc2ccccc2)c1-3 ZINC000013742703 562987586 /nfs/dbraw/zinc/98/75/86/562987586.db2.gz KSHBUZXOUSYXAJ-UHFFFAOYSA-N -1 0 490.647 7.411 1 0 JKAFRM CC[C@H](c1cccc(NC(=O)CCn2ccc3ccccc32)c1)c1c([O-])c2ccccc2oc1=O ZINC000013743234 562987645 /nfs/dbraw/zinc/98/76/45/562987645.db2.gz WWWFEHZEGONSME-JOCHJYFZSA-N -1 0 466.537 6.024 1 0 JKAFRM CC[C@H](c1cccc(NC(=O)CCCNC(=O)OC(C)(C)C)c1)c1c([O-])c2ccccc2oc1=O ZINC000013743229 562987654 /nfs/dbraw/zinc/98/76/54/562987654.db2.gz SAWGKFPRPANQAW-LJQANCHMSA-N -1 0 480.561 5.284 1 0 JKAFRM CCCCCCOc1ccc(-c2ccc3cc(C(=O)[O-])ccc3c2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000013745081 562987936 /nfs/dbraw/zinc/98/79/36/562987936.db2.gz BCLMUIMQCLRLNV-UHFFFAOYSA-N -1 0 482.664 8.632 1 0 JKAFRM O=C([O-])c1ccc2cc(-c3ccc(OC[C@@H](O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000013745061 562987981 /nfs/dbraw/zinc/98/79/81/562987981.db2.gz HCGLZXMFTPFYBB-GTUSSPTASA-N -1 0 472.581 5.405 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)N(C1CCCCC1)C1CCCCC1 ZINC000013747405 562988370 /nfs/dbraw/zinc/98/83/70/562988370.db2.gz HZILKBOATJZGNW-UHFFFAOYSA-N -1 0 463.688 6.267 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)NCC(c1ccccc1)c1ccccc1 ZINC000013747470 562988449 /nfs/dbraw/zinc/98/84/49/562988449.db2.gz KAGFEQWMDJAZFX-UHFFFAOYSA-N -1 0 480.630 5.688 1 0 JKAFRM CCCS(=O)(=O)Nc1cccc([C@H](c2c([O-])cc([C@@H](CC)Cc3ccccc3)oc2=O)C2CC2)c1 ZINC000013756571 562988693 /nfs/dbraw/zinc/98/86/93/562988693.db2.gz GTGPHAUFYVHIIY-RXFWQSSRSA-N -1 0 495.641 5.775 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cn1cc(/C=C/C(=O)[O-])c2cc(OCc3ccccc3)ccc21 ZINC000013758651 562989023 /nfs/dbraw/zinc/98/90/23/562989023.db2.gz YNNNITGBSYQFHJ-NTCAYCPXSA-N -1 0 468.553 5.019 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)[O-])cc2c(-c3ccccc3)cccc12 ZINC000013758727 562989112 /nfs/dbraw/zinc/98/91/12/562989112.db2.gz YPEJQDBAWXOOML-UHFFFAOYSA-N -1 0 451.566 5.768 1 0 JKAFRM CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)s[n-]2)cc1 ZINC000013760687 562989447 /nfs/dbraw/zinc/98/94/47/562989447.db2.gz XISVBHCBONQUDI-UHFFFAOYSA-N -1 0 486.553 5.161 1 0 JKAFRM CCCCS(=O)(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013761619 562990038 /nfs/dbraw/zinc/99/00/38/562990038.db2.gz YPBVXEUYUQNYLC-JOCHJYFZSA-N -1 0 459.608 5.088 1 0 JKAFRM CCCCS(=O)(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013761620 562990044 /nfs/dbraw/zinc/99/00/44/562990044.db2.gz YPBVXEUYUQNYLC-QFIPXVFZSA-N -1 0 459.608 5.088 1 0 JKAFRM Cc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000013799569 562993835 /nfs/dbraw/zinc/99/38/35/562993835.db2.gz VJGDGBUWSOZGFC-MHZLTWQESA-N -1 0 482.580 5.437 1 0 JKAFRM O=C([O-])c1ccc(Cc2noc(-c3ccc4ccc(OCc5ccc6ccccc6n5)cc4c3)n2)cc1 ZINC000013804757 562994900 /nfs/dbraw/zinc/99/49/00/562994900.db2.gz KBTASISFPRLTNB-UHFFFAOYSA-N -1 0 487.515 6.306 1 0 JKAFRM O=C([O-])c1ccc(OC[C@H](O)COc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000013804836 562995056 /nfs/dbraw/zinc/99/50/56/562995056.db2.gz GMGYTTABKFIEJQ-VWLOTQADSA-N -1 0 495.531 5.484 1 0 JKAFRM O=C([O-])c1cccc(CCOCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)c1 ZINC000013804848 562995062 /nfs/dbraw/zinc/99/50/62/562995062.db2.gz UDMFIQHJTZBXAI-UHFFFAOYSA-N -1 0 463.533 6.425 1 0 JKAFRM Cc1cc(Cl)cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013824672 562998132 /nfs/dbraw/zinc/99/81/32/562998132.db2.gz RGJLCDJTSHNOSR-YADHBBJMSA-N -1 0 490.930 5.072 1 0 JKAFRM O=C([O-])C[C@H](O)C[C@H](O)COc1c(CCCOc2ccc(F)cc2)cc(Cl)cc1C1CCCC1 ZINC000013824698 562998248 /nfs/dbraw/zinc/99/82/48/562998248.db2.gz SGKRQHZSMMVREF-YADHBBJMSA-N -1 0 494.987 5.114 1 0 JKAFRM CCCCc1nnc(-c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825589 562998324 /nfs/dbraw/zinc/99/83/24/562998324.db2.gz HCTHXJCYZVTVII-UHFFFAOYSA-N -1 0 454.530 5.287 1 0 JKAFRM CCCc1nnc(SCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825623 562998387 /nfs/dbraw/zinc/99/83/87/562998387.db2.gz XQPCAWFBASERGW-UHFFFAOYSA-N -1 0 486.597 5.522 1 0 JKAFRM O=C(Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2)c1ccc(Cl)cc1Cl ZINC000013830354 562999156 /nfs/dbraw/zinc/99/91/56/562999156.db2.gz NBNXKKDPHRJHFE-UHFFFAOYSA-N -1 0 460.700 6.378 3 0 JKAFRM CCCCC1=NC(CC(C)C)(CC(C)C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833562 563000556 /nfs/dbraw/zinc/00/05/56/563000556.db2.gz LUMNPFQMOVLDSQ-UHFFFAOYSA-N -1 0 462.634 6.814 1 0 JKAFRM Nc1cccc(SCc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)[O-])n2)c1 ZINC000013833524 563000597 /nfs/dbraw/zinc/00/05/97/563000597.db2.gz TVIGXFKRYDKKPC-HTXNQAPBSA-N -1 0 490.669 7.016 1 0 JKAFRM C[S@](=O)[C@@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834150 563000795 /nfs/dbraw/zinc/00/07/95/563000795.db2.gz ZHJHSGXDNPZKJI-ULKXQASOSA-N -1 0 461.539 5.134 1 0 JKAFRM Cn1ncc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1-c1cccc(OCC(=O)[O-])c1 ZINC000013834188 563000903 /nfs/dbraw/zinc/00/09/03/563000903.db2.gz UXHOVXPRLGNINU-UHFFFAOYSA-N -1 0 451.482 5.540 1 0 JKAFRM CCCCCCC(=O)Oc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013862792 563003101 /nfs/dbraw/zinc/00/31/01/563003101.db2.gz MONJUHIZMPUTFF-UHFFFAOYSA-N -1 0 455.938 5.795 1 0 JKAFRM O=C([O-])CCc1ccccc1C(=O)N1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000013904757 563004427 /nfs/dbraw/zinc/00/44/27/563004427.db2.gz IZLGUGWIRIQFCF-DEOSSOPVSA-N -1 0 495.620 5.150 1 0 JKAFRM CC(C)(C)c1ccc(Nc2ccc3c(c2)c(-c2ccccc2)c(C(=O)[O-])n3Cc2ccccc2)cc1 ZINC000013980948 563005234 /nfs/dbraw/zinc/00/52/34/563005234.db2.gz LBJFGAQHCRPOBC-UHFFFAOYSA-N -1 0 474.604 8.096 1 0 JKAFRM CCn1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)[O-])c(C)c2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000013983073 563005314 /nfs/dbraw/zinc/00/53/14/563005314.db2.gz AUKXWOYKKNDADD-UHFFFAOYSA-N -1 0 477.605 5.348 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(-c3ccc(CCC(=O)[O-])cc3)c2=O)cc1 ZINC000014963397 563008557 /nfs/dbraw/zinc/00/85/57/563008557.db2.gz ZBSUYSJJZKOMOS-UHFFFAOYSA-N -1 0 467.525 5.474 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3ccccc3)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963478 563008569 /nfs/dbraw/zinc/00/85/69/563008569.db2.gz BTHPDGDWQRPCKW-QFIPXVFZSA-N -1 0 465.336 5.634 1 0 JKAFRM Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)[O-] ZINC000014963556 563008675 /nfs/dbraw/zinc/00/86/75/563008675.db2.gz DNZAOTJAYGFQRS-QHCPKHFHSA-N -1 0 493.390 6.251 1 0 JKAFRM CC[C@H](C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)cc1Br ZINC000014969193 563009471 /nfs/dbraw/zinc/00/94/71/563009471.db2.gz MXHYBOCRTUHWOD-JTQLQIEISA-N -1 0 475.166 6.160 1 0 JKAFRM CCN(CC)c1cccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)c1 ZINC000014969166 563009496 /nfs/dbraw/zinc/00/94/96/563009496.db2.gz KVHGFYBGJGPWIL-UHFFFAOYSA-N -1 0 485.216 5.654 1 0 JKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4ccccc43)c2)cc1 ZINC000014972545 563009860 /nfs/dbraw/zinc/00/98/60/563009860.db2.gz CHCCPPPOKAASRP-UHFFFAOYSA-N -1 0 472.544 6.372 1 0 JKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000014974420 563010166 /nfs/dbraw/zinc/01/01/66/563010166.db2.gz HCWAEJBFWIPTDG-DHIUTWEWSA-N -1 0 496.485 6.700 1 0 JKAFRM Cc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977072 563010420 /nfs/dbraw/zinc/01/04/20/563010420.db2.gz BRUFULPAONKCPM-INIZCTEOSA-N -1 0 492.519 5.885 1 0 JKAFRM COc1cc(-c2nc(C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977111 563010433 /nfs/dbraw/zinc/01/04/33/563010433.db2.gz RBXZTMZEWIAWOY-SFHVURJKSA-N -1 0 453.560 5.480 1 0 JKAFRM C/C(=C\CC[C@@H](CCCc1ccoc1)COS(=O)(=O)[O-])CC[C@]1(C)C(C)=CCC[C@H]1C ZINC000015266745 563011446 /nfs/dbraw/zinc/01/14/46/563011446.db2.gz GCCDIQCRJHCDFR-BECFKYEUSA-N -1 0 452.657 6.927 1 0 JKAFRM CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 ZINC000025991497 563021137 /nfs/dbraw/zinc/02/11/37/563021137.db2.gz LOSITVYGMTZZLA-OZWAEFLDSA-N -1 0 482.617 5.641 1 0 JKAFRM CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2C(=O)[O-])n1 ZINC000026005880 563021498 /nfs/dbraw/zinc/02/14/98/563021498.db2.gz MNZFRCRGYHIVET-UHFFFAOYSA-N -1 0 454.368 6.194 1 0 JKAFRM Cc1cccc2nc(C3CC3)c(Oc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(C(=O)[O-])c12 ZINC000026146513 563022372 /nfs/dbraw/zinc/02/23/72/563022372.db2.gz SZEJDOLISIHLPO-UHFFFAOYSA-N -1 0 463.497 5.758 1 0 JKAFRM CCCc1cc(Oc2cccc(C(=O)[O-])c2)ccc1OCCCOc1cc(O)c(C(C)=O)cc1CC ZINC000026147575 563022384 /nfs/dbraw/zinc/02/23/84/563022384.db2.gz JDXKIKDTNKBFCI-UHFFFAOYSA-N -1 0 492.568 6.448 1 0 JKAFRM CC(C)c1cccc2c(CC[C@H](O)/C=C/[C@H]3[C@H](O)C[C@H]4C/C(=C\CCCC(=O)[O-])C[C@@H]43)ccc-2c1 ZINC000026159806 563022823 /nfs/dbraw/zinc/02/28/23/563022823.db2.gz WBDREHDVHQEEHI-NAZAMOJQSA-N -1 0 476.657 6.353 1 0 JKAFRM CCCCc1nc2ccc(C)cc2c(=O)n1Cc1cc(Br)c([O-])c(Br)c1 ZINC000026246893 563024295 /nfs/dbraw/zinc/02/42/95/563024295.db2.gz PUXXFYUQEGWVNQ-UHFFFAOYSA-N -1 0 480.200 5.326 1 0 JKAFRM CCCOc1ccc2c(c1)c(-c1ccc(OC)cc1)c(C(=O)[O-])n2Cc1cc2nsnc2cc1C ZINC000026287136 563025608 /nfs/dbraw/zinc/02/56/08/563025608.db2.gz RXKXHBLTJDZCBK-UHFFFAOYSA-N -1 0 487.581 6.165 1 0 JKAFRM O=C([O-])CCc1cccc(OCC[C@H]2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1 ZINC000026401899 563027589 /nfs/dbraw/zinc/02/75/89/563027589.db2.gz XQYUPQYZKWHWNV-XMMPIXPASA-N -1 0 465.933 5.121 1 0 JKAFRM CCCCCCOP(=O)(OCCCCCC)C(Cl)(Cl)[P@](=O)([O-])OCCCCCC ZINC000026402546 563027690 /nfs/dbraw/zinc/02/76/90/563027690.db2.gz OMMUDELGJFGZJO-UHFFFAOYSA-N -1 0 497.377 8.245 1 0 JKAFRM CCC[C@@H](NC(=O)N1C(=O)[C@@](CC)(CCC)[C@@H]1Oc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000026480715 563028203 /nfs/dbraw/zinc/02/82/03/563028203.db2.gz HRRKJTIVEBEIFN-LJGDZFJRSA-N -1 0 452.551 5.379 1 0 JKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C/CCCC(=O)[O-])[C@H]2NC(=O)c1csc(-c2ccccc2)c1 ZINC000026488916 563028388 /nfs/dbraw/zinc/02/83/88/563028388.db2.gz XMUCIFVZVCDLNZ-UZQSJGKPSA-N -1 0 451.632 6.397 1 0 JKAFRM CCCCOc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)[C@H](CC)CCCC)cc21 ZINC000026489681 563028521 /nfs/dbraw/zinc/02/85/21/563028521.db2.gz WGQTVDVVOFEGSV-HXUWFJFHSA-N -1 0 464.606 6.722 1 0 JKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCCCC(=O)[O-] ZINC000026570224 563029925 /nfs/dbraw/zinc/02/99/25/563029925.db2.gz IAQZKDQBUKXOIW-YADHBBJMSA-N -1 0 468.594 5.180 1 0 JKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCCCCC(=O)[O-] ZINC000026570218 563029939 /nfs/dbraw/zinc/02/99/39/563029939.db2.gz IAQZKDQBUKXOIW-VXKWHMMOSA-N -1 0 468.594 5.180 1 0 JKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cccc(Cl)c4[O-])cc3)sc2c1 ZINC000026572678 563030104 /nfs/dbraw/zinc/03/01/04/563030104.db2.gz KCGKJMZVZDJTKT-UHFFFAOYSA-N -1 0 456.976 6.458 1 0 JKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1Cc1cccc(Cl)c1 ZINC000026574221 563030222 /nfs/dbraw/zinc/03/02/22/563030222.db2.gz DOMPWTSDHIQDOH-UHFFFAOYSA-N -1 0 481.335 5.923 1 0 JKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccsc2)nn1CC1CCCCC1 ZINC000026575874 563030492 /nfs/dbraw/zinc/03/04/92/563030492.db2.gz MBXKGFDVGRYHPD-UHFFFAOYSA-N -1 0 458.967 5.863 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2-c2ccc(CC(C)C)cc2)c1Br ZINC000026578970 563031130 /nfs/dbraw/zinc/03/11/30/563031130.db2.gz ISOVASWMWBKCEN-UHFFFAOYSA-N -1 0 455.399 5.473 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cn1cc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 ZINC000026669970 563033205 /nfs/dbraw/zinc/03/32/05/563033205.db2.gz NYEUCFWPMRQBAH-QFIPXVFZSA-N -1 0 479.576 5.297 1 0 JKAFRM CCCC(CCC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)ccc21 ZINC000026736046 563034397 /nfs/dbraw/zinc/03/43/97/563034397.db2.gz KGCMFSMFISBYLM-XUTLUUPISA-N -1 0 476.617 7.068 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc(F)c(F)c2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000026844651 563036984 /nfs/dbraw/zinc/03/69/84/563036984.db2.gz YWQADNDOSHAXBY-ZHACJKMWSA-N -1 0 488.503 6.472 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)cc1 ZINC000026850533 563037339 /nfs/dbraw/zinc/03/73/39/563037339.db2.gz NHRSCEHQIGPJDS-ISLYRVAYSA-N -1 0 495.069 7.496 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(Cl)cc1 ZINC000026935858 563037475 /nfs/dbraw/zinc/03/74/75/563037475.db2.gz GODAADHOVFGQSP-OUKQBFOZSA-N -1 0 453.416 6.482 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026937966 563037579 /nfs/dbraw/zinc/03/75/79/563037579.db2.gz YAERKPJXSZHFQI-NQXGGYSKSA-N -1 0 471.726 7.639 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1 ZINC000026939965 563037677 /nfs/dbraw/zinc/03/76/77/563037677.db2.gz YMTGCYFDOUHFBJ-ZHACJKMWSA-N -1 0 454.951 6.107 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@@H](OCc3ccccc3)C(=O)[O-])ccc2o1 ZINC000027301030 563042325 /nfs/dbraw/zinc/04/23/25/563042325.db2.gz DYUJAQYIESSIJO-HHHXNRCGSA-N -1 0 467.521 6.200 1 0 JKAFRM CN(C)C(=O)/C(=C/c1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000027300275 563042335 /nfs/dbraw/zinc/04/23/35/563042335.db2.gz FRJURKRFMFPJGV-HAVVHWLPSA-N -1 0 468.509 5.101 1 0 JKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@@](COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)(CC(C)C)O2 ZINC000027426535 563043955 /nfs/dbraw/zinc/04/39/55/563043955.db2.gz HIKRPVCYHOKTNQ-AMGIVPHBSA-N -1 0 483.630 5.400 1 0 JKAFRM CC(C)(C)c1cc2c(cc1O)CC[C@@](C)(CCOc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027426278 563043980 /nfs/dbraw/zinc/04/39/80/563043980.db2.gz PJMZZASXTKZGFG-GJZUVCINSA-N -1 0 469.603 5.137 1 0 JKAFRM CCOC(=O)C[C@H](C[C@@]1(C)C(=O)CC[C@H]2[C@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21)C(=O)[O-] ZINC000027519496 563044700 /nfs/dbraw/zinc/04/47/00/563044700.db2.gz SVZKSTLFKNEAPQ-PUNWLHBVSA-N -1 0 490.725 6.921 1 0 JKAFRM C[S@@](=O)c1cc(Cl)cc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1[O-] ZINC000027525593 563045449 /nfs/dbraw/zinc/04/54/49/563045449.db2.gz FAGDJFOESXFUBM-HKBQPEDESA-N -1 0 473.982 5.667 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000027558632 563046638 /nfs/dbraw/zinc/04/66/38/563046638.db2.gz WJNQBFIXWQMTNI-MHZLTWQESA-N -1 0 451.522 5.604 1 0 JKAFRM CCOc1cc(CC(=O)N[C@H](c2ccccc2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027561334 563046881 /nfs/dbraw/zinc/04/68/81/563046881.db2.gz DEXKSFLYVXFCLF-MUUNZHRXSA-N -1 0 472.585 5.222 1 0 JKAFRM CCOc1cc(CC(=O)N[C@@H](c2ccccc2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027561332 563046891 /nfs/dbraw/zinc/04/68/91/563046891.db2.gz DEXKSFLYVXFCLF-NDEPHWFRSA-N -1 0 472.585 5.222 1 0 JKAFRM CCCCCC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCC)c1)c1ccccc1N1CCCCC1 ZINC000027561349 563046936 /nfs/dbraw/zinc/04/69/36/563046936.db2.gz QMYBRWCZVNOMMF-RUZDIDTESA-N -1 0 480.649 6.144 1 0 JKAFRM CCCCC[C@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCC)c1)c1ccccc1N1CCCCC1 ZINC000027563868 563047049 /nfs/dbraw/zinc/04/70/49/563047049.db2.gz GKAFSANXAZVZGG-DEOSSOPVSA-N -1 0 466.622 5.754 1 0 JKAFRM CCOc1ccccc1Cn1c2c3ccccc3oc2c(-c2ccc(OC)cc2)c(C(=O)[O-])c1=O ZINC000027657859 563049417 /nfs/dbraw/zinc/04/94/17/563049417.db2.gz WPRKCOQUOSJKQM-UHFFFAOYSA-N -1 0 469.493 5.569 1 0 JKAFRM COc1cccc(-c2c3oc4ccccc4c3n(Cc3ccccc3OC)c(=O)c2C(=O)[O-])c1 ZINC000027709495 563049631 /nfs/dbraw/zinc/04/96/31/563049631.db2.gz FSKDOYSRHRVTHZ-UHFFFAOYSA-N -1 0 455.466 5.178 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3c(OC)cccc3OC)c(=O)c2C(=O)[O-])cc1 ZINC000027717335 563050118 /nfs/dbraw/zinc/05/01/18/563050118.db2.gz WMXVSTMAUHITMH-UHFFFAOYSA-N -1 0 485.492 5.187 1 0 JKAFRM CSc1ccccc1OC(C)(C)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027747116 563051149 /nfs/dbraw/zinc/05/11/49/563051149.db2.gz XXPWPQBCBTVEOV-NWCMJKHSSA-N -1 0 457.592 5.502 1 0 JKAFRM CC(C)(C)c1ccc(Oc2cccc([C@@H]3SCC(=O)N3[C@@H](Cc3ccccc3)C(=O)[O-])c2)cc1 ZINC000027766941 563051624 /nfs/dbraw/zinc/05/16/24/563051624.db2.gz KSYGBHZCNQGZOB-AHWVRZQESA-N -1 0 475.610 6.046 1 0 JKAFRM CCCCCN(CCCCC)C(=O)[C@@H](CCCC(=O)[O-])NC(=O)c1ccc2ccccc2c1 ZINC000027987970 563053802 /nfs/dbraw/zinc/05/38/02/563053802.db2.gz VHCOMPFCZPOZFX-XMMPIXPASA-N -1 0 454.611 5.402 1 0 in-vivo JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2/C=C/c2c(C)cc(C)cc2C)c1Br ZINC000028009460 563054704 /nfs/dbraw/zinc/05/47/04/563054704.db2.gz CCUNAVNTYAROJU-AATRIKPKSA-N -1 0 467.410 5.703 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2/C=C/c2ccc(C)cc2C)c1Br ZINC000028011366 563054759 /nfs/dbraw/zinc/05/47/59/563054759.db2.gz YILAMABQGCKEKO-VOTSOKGWSA-N -1 0 453.383 5.395 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC(C(F)(F)F)=C4C=C(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028017053 563055084 /nfs/dbraw/zinc/05/50/84/563055084.db2.gz LSPYBPBRMHHSMT-PTECHPNESA-N -1 0 495.626 6.764 1 0 JKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(C(F)(F)F)cc3n2)c1)C(=O)[O-] ZINC000028018924 563055167 /nfs/dbraw/zinc/05/51/67/563055167.db2.gz UKECUOUDZYOQPY-UHFFFAOYSA-N -1 0 474.479 6.052 1 0 JKAFRM O=C([O-])C[C@@H]1CCCc2c3cc(F)ccc3n(Cc3cccc(CCCCCc4cccnc4)c3)c21 ZINC000028101276 563056076 /nfs/dbraw/zinc/05/60/76/563056076.db2.gz WTEIAUJWYKFJJY-VWLOTQADSA-N -1 0 484.615 7.074 1 0 JKAFRM O=C([O-])C[C@H]1CCCc2c3cc(F)ccc3n(Cc3cccc(OCCC/C=C\c4cccnc4)c3)c21 ZINC000028104730 563056227 /nfs/dbraw/zinc/05/62/27/563056227.db2.gz WSFCJPZVQFMTRY-MWIAZZLNSA-N -1 0 498.598 6.991 1 0 JKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1 ZINC000028120531 563056774 /nfs/dbraw/zinc/05/67/74/563056774.db2.gz PJHBYEKCWVZKAI-AREMUKBSSA-N -1 0 458.982 6.404 1 0 JKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCOCC4)cc3Cl)cc2O1 ZINC000028124966 563056925 /nfs/dbraw/zinc/05/69/25/563056925.db2.gz OZGIFXUDSUMYLU-AREMUKBSSA-N -1 0 474.981 5.640 1 0 JKAFRM COc1ccc2c(c1)c(Cc1cccc(OCC(=O)[O-])c1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028129795 563057221 /nfs/dbraw/zinc/05/72/21/563057221.db2.gz CZMXEBXOLTWIEN-UHFFFAOYSA-N -1 0 463.917 5.354 1 0 JKAFRM O=C([O-])[C@H](CCCCNc1cccc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000028130525 563057343 /nfs/dbraw/zinc/05/73/43/563057343.db2.gz CTQWNGNRTZFRAS-LJAQVGFWSA-N -1 0 494.591 6.414 1 0 JKAFRM CC(C)c1ccc2c(c1)c(Oc1ccccc1)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000028134939 563057508 /nfs/dbraw/zinc/05/75/08/563057508.db2.gz NFZJYQYSMPHHAY-UHFFFAOYSA-N -1 0 476.016 7.912 1 0 JKAFRM O=S(=O)(c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[n-]1)C(F)(F)C(F)F ZINC000028221508 563057879 /nfs/dbraw/zinc/05/78/79/563057879.db2.gz UIMCKATYQLKZQX-UHFFFAOYSA-N -1 0 453.244 5.682 1 0 JKAFRM Cc1nn(-c2ccccc2)c2ncc3c(OCCCCC(=O)[O-])c(-c4ccc(Cl)cc4)sc3c12 ZINC000028220628 563057891 /nfs/dbraw/zinc/05/78/91/563057891.db2.gz KCCLKKNAQAXFTO-UHFFFAOYSA-N -1 0 492.000 6.898 1 0 JKAFRM COc1ccc([C@H](c2c(O)c(C(=O)[O-])cc3ccccc32)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028222018 563057909 /nfs/dbraw/zinc/05/79/09/563057909.db2.gz FHRPHMMKGQVVMJ-VWLOTQADSA-N -1 0 470.521 5.622 1 0 JKAFRM CC(C)(CCCCCCCCCCOc1ccc(CCCCc2ccccc2)cc1)C(=O)[O-] ZINC000028227704 563058091 /nfs/dbraw/zinc/05/80/91/563058091.db2.gz GCCKXDOVIMTYBC-UHFFFAOYSA-N -1 0 452.679 8.253 1 0 JKAFRM CCC[C@@]1(CCC(=O)[O-])Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2[C@H]1O ZINC000028229870 563058291 /nfs/dbraw/zinc/05/82/91/563058291.db2.gz CCJQXAAGORTTKQ-FQLXRVMXSA-N -1 0 460.570 6.085 1 0 JKAFRM CCCCc1nn(CCCC)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028243670 563058746 /nfs/dbraw/zinc/05/87/46/563058746.db2.gz VCPWIIRJHUEWIH-UHFFFAOYSA-N -1 0 458.566 5.162 1 0 JKAFRM Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCCCC(=O)[O-])cc3)nc21 ZINC000028331805 563059599 /nfs/dbraw/zinc/05/95/99/563059599.db2.gz NJEBMDHGQZGODS-UHFFFAOYSA-N -1 0 499.354 5.290 1 0 JKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)C2CCCCC2)s1 ZINC000028335981 563059935 /nfs/dbraw/zinc/05/99/35/563059935.db2.gz KIBZGTMTFZKSRF-UHFFFAOYSA-N -1 0 490.503 6.632 1 0 JKAFRM COc1ccccc1COc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CCCCC2)cc1 ZINC000028338845 563060202 /nfs/dbraw/zinc/06/02/02/563060202.db2.gz QDMZNBCGJCWZIU-UHFFFAOYSA-N -1 0 466.559 5.408 1 0 JKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)C2CCCCC2)s1 ZINC000028348905 563060951 /nfs/dbraw/zinc/06/09/51/563060951.db2.gz ZJWHRYRKEJQLRN-UHFFFAOYSA-N -1 0 491.396 6.920 1 0 JKAFRM COc1ccc(Oc2ccc(C(=O)N(c3ncc(C(=O)[O-])s3)C3CCCCC3)cc2)cc1OC ZINC000028352197 563061152 /nfs/dbraw/zinc/06/11/52/563061152.db2.gz GKCOMLUKQMOIPM-UHFFFAOYSA-N -1 0 482.558 5.630 1 0 JKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(OCc3ccccc3F)cc2)C2CCCCC2)s1 ZINC000028357682 563061543 /nfs/dbraw/zinc/06/15/43/563061543.db2.gz QUZFPCOXBPVFTD-UHFFFAOYSA-N -1 0 454.523 5.539 1 0 JKAFRM Cn1c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c(-c2ccccc2)c1C(=O)[O-] ZINC000028462645 563064733 /nfs/dbraw/zinc/06/47/33/563064733.db2.gz HCSAJSLHNVKNAJ-UHFFFAOYSA-N -1 0 490.459 5.243 1 0 JKAFRM Cn1c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c(-c2ccccc2)c1C(=O)[O-] ZINC000028464131 563064824 /nfs/dbraw/zinc/06/48/24/563064824.db2.gz UOVJJSVNQYCHRY-UHFFFAOYSA-N -1 0 462.571 5.642 1 0 JKAFRM CCCCCC[C@@H](C(=O)[O-])c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 ZINC000028464442 563064898 /nfs/dbraw/zinc/06/48/98/563064898.db2.gz UUVXJGSGUYPTCO-LJQANCHMSA-N -1 0 453.564 5.508 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1F ZINC000028472980 563065595 /nfs/dbraw/zinc/06/55/95/563065595.db2.gz ZNVQUGZUYWZRSB-UYRXBGFRSA-N -1 0 456.267 5.236 1 0 JKAFRM O=C([O-])C[C@@H](c1ccc(F)cc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028473964 563065730 /nfs/dbraw/zinc/06/57/30/563065730.db2.gz HWQHXIKXIJDPTP-VWLOTQADSA-N -1 0 459.521 5.219 1 0 JKAFRM Cc1c(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2cc(OC(F)(F)F)ccc2n1-c1ccccn1 ZINC000028474183 563065790 /nfs/dbraw/zinc/06/57/90/563065790.db2.gz QWIUQXRYJNRDFR-INIZCTEOSA-N -1 0 470.447 5.675 1 0 JKAFRM O=C([O-])C[C@H](c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474164 563065837 /nfs/dbraw/zinc/06/58/37/563065837.db2.gz ICALNGJCZQBZDD-MUUNZHRXSA-N -1 0 492.579 5.628 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccc(F)cc2Br)cc1)NC(=O)CCC1CCCC1 ZINC000028476474 563065993 /nfs/dbraw/zinc/06/59/93/563065993.db2.gz KHHOSDMRAPHTHA-MOSHPQCFSA-N -1 0 476.342 5.893 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)CCc1ccc(F)cc1 ZINC000028521377 563066382 /nfs/dbraw/zinc/06/63/82/563066382.db2.gz SVLAOVNZVKAENM-QNGOZBTKSA-N -1 0 484.321 5.555 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000028524890 563067313 /nfs/dbraw/zinc/06/73/13/563067313.db2.gz SYNOEXXXDGJRQQ-ONNFQVAWSA-N -1 0 467.308 6.081 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Cl)c4)c(F)c3)nc2c1 ZINC000028524891 563067357 /nfs/dbraw/zinc/06/73/57/563067357.db2.gz CSQMTMHPEICAIJ-WEVVVXLNSA-N -1 0 450.853 5.566 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3Cl)nc2c1 ZINC000028524954 563067402 /nfs/dbraw/zinc/06/74/02/563067402.db2.gz CPHXWODXBWGFBO-UHFFFAOYSA-N -1 0 485.721 5.790 1 0 JKAFRM O=C([O-])CC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc32)c(Cl)c1 ZINC000028526464 563067919 /nfs/dbraw/zinc/06/79/19/563067919.db2.gz SSPTZMICBQOZRJ-UHFFFAOYSA-N -1 0 469.118 5.695 1 0 JKAFRM O=C([O-])CCC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc32)c(Cl)c1 ZINC000028526465 563067989 /nfs/dbraw/zinc/06/79/89/563067989.db2.gz DIKVWUHCQNFJQS-UHFFFAOYSA-N -1 0 483.145 6.085 1 0 JKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[S@](=O)C[C@@H](NC(C)=O)C(=O)[O-] ZINC000028528126 563068173 /nfs/dbraw/zinc/06/81/73/563068173.db2.gz GAHSNLSCMMEDKK-UCCOXYGBSA-N -1 0 451.673 5.470 1 0 JKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[S@@](=O)C[C@@H](NC(C)=O)C(=O)[O-] ZINC000028528125 563068189 /nfs/dbraw/zinc/06/81/89/563068189.db2.gz GAHSNLSCMMEDKK-WDYBKVOLSA-N -1 0 451.673 5.470 1 0 JKAFRM CCOc1ccc2c(c1)c(Oc1cccc(C(F)(F)F)c1)c(C(=O)[O-])n2-c1ccc(C(C)(C)C)cc1 ZINC000028528273 563068279 /nfs/dbraw/zinc/06/82/79/563068279.db2.gz HNTZJAKHWWPLFP-UHFFFAOYSA-N -1 0 497.513 7.836 1 0 JKAFRM CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000028535502 563068869 /nfs/dbraw/zinc/06/88/69/563068869.db2.gz XLPAINGDLCDYQV-VOMXGJAFSA-N -1 0 454.695 7.752 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3-c3ccccc3)ccc21 ZINC000028563324 563068974 /nfs/dbraw/zinc/06/89/74/563068974.db2.gz QZUUHGLXJRUESM-AZGAKELHSA-N -1 0 467.565 6.771 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)ccc21 ZINC000028565572 563069370 /nfs/dbraw/zinc/06/93/70/563069370.db2.gz HHYHQMCULLJUOU-IFMALSPDSA-N -1 0 473.491 6.431 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(COc4ccc(Cl)cc4)oc3C)ccc21 ZINC000028565361 563069392 /nfs/dbraw/zinc/06/93/92/563069392.db2.gz IZISSIGDVNWEKJ-GGAORHGYSA-N -1 0 469.965 5.978 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4Cl)oc3C)ccc21 ZINC000028565847 563069454 /nfs/dbraw/zinc/06/94/54/563069454.db2.gz RHBPHZFZEOLCGS-UYAOXDASSA-N -1 0 474.384 6.719 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)ccc21 ZINC000028565985 563069570 /nfs/dbraw/zinc/06/95/70/563069570.db2.gz NITIDRCXHQKKIF-IAPPQJPRSA-N -1 0 481.592 7.079 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)ccc21 ZINC000028566288 563069657 /nfs/dbraw/zinc/06/96/57/563069657.db2.gz LDACFVHWDBQOOJ-UKILVPOCSA-N -1 0 461.602 6.710 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccccc3)cc21 ZINC000028567755 563069885 /nfs/dbraw/zinc/06/98/85/563069885.db2.gz ZHORMDGNABWUQX-RPBOFIJWSA-N -1 0 481.592 7.079 1 0 JKAFRM CC(C)c1noc(NC(=O)c2ccncc2)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569410 563070407 /nfs/dbraw/zinc/07/04/07/563070407.db2.gz PPAGOAJXHLSWPJ-UHFFFAOYSA-N -1 0 473.373 5.425 1 0 JKAFRM CCCC[C@H](CC)C(=O)Nc1onc(C(C)C)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569307 563070414 /nfs/dbraw/zinc/07/04/14/563070414.db2.gz MOGGKHGBVNAAKJ-AWEZNQCLSA-N -1 0 494.476 6.932 1 0 JKAFRM CO[C@H](Cc1ccc(OCCCOc2ccc(-c3ccc(Br)cc3)cc2)cc1)C(=O)[O-] ZINC000028569611 563070494 /nfs/dbraw/zinc/07/04/94/563070494.db2.gz OIQBPCPWEFWAJG-XMMPIXPASA-N -1 0 485.374 5.606 1 0 JKAFRM CCc1ccc(-c2ccc(OCCCOc3ccc(C[C@@H](OC4CCCC4)C(=O)[O-])cc3)cc2)cc1 ZINC000028570872 563070776 /nfs/dbraw/zinc/07/07/76/563070776.db2.gz MOHKCKHFTOAUIE-SSEXGKCCSA-N -1 0 488.624 6.719 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc3c(c2Br)C[C@H](C(=O)[O-])C3)ccc1O ZINC000028571947 563071138 /nfs/dbraw/zinc/07/11/38/563071138.db2.gz MOWQUCJYYNNJGX-LLVKDONJSA-N -1 0 470.157 5.632 1 0 JKAFRM CC[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028572468 563071346 /nfs/dbraw/zinc/07/13/46/563071346.db2.gz YPMAPCXWXFAWIZ-IBGZPJMESA-N -1 0 472.940 6.773 1 0 JKAFRM CCC[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028572470 563071348 /nfs/dbraw/zinc/07/13/48/563071348.db2.gz MOIFGGMAUNAZIX-FQEVSTJZSA-N -1 0 486.967 7.163 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)[O-] ZINC000028604544 563071679 /nfs/dbraw/zinc/07/16/79/563071679.db2.gz KGELVXQPIUKGCO-KXQRDGDESA-N -1 0 456.711 7.544 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3)C(=O)[O-] ZINC000028604547 563071693 /nfs/dbraw/zinc/07/16/93/563071693.db2.gz KGELVXQPIUKGCO-RZELSEJPSA-N -1 0 456.711 7.544 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)[O-] ZINC000028637099 563071856 /nfs/dbraw/zinc/07/18/56/563071856.db2.gz KDCSSVADTHDYGI-JAYDNVTISA-N -1 0 454.695 7.752 1 0 JKAFRM CCO[P@](=O)([O-])/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 ZINC000028648332 563073623 /nfs/dbraw/zinc/07/36/23/563073623.db2.gz GKKBZTZYOIDWDQ-BQYQJAHWSA-N -1 0 472.949 7.373 1 0 JKAFRM CCCCOc1ccc(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000028652257 563073954 /nfs/dbraw/zinc/07/39/54/563073954.db2.gz PGMNREGYAOBCRN-KRWDZBQOSA-N -1 0 451.485 5.468 1 0 JKAFRM CCCOc1ccc(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028652276 563074103 /nfs/dbraw/zinc/07/41/03/563074103.db2.gz UGUQWKRCJKSPSZ-OAHLLOKOSA-N -1 0 455.448 5.217 1 0 JKAFRM CCCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704639 563075244 /nfs/dbraw/zinc/07/52/44/563075244.db2.gz ZQTZPLBOYPGOAS-GOSISDBHSA-N -1 0 458.498 5.444 1 0 JKAFRM CC(=O)c1ccc2c(c1)N=C(c1ccc(C(=O)[O-])c(F)c1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028708899 563075887 /nfs/dbraw/zinc/07/58/87/563075887.db2.gz NSJANOUQTMYXKY-UHFFFAOYSA-N -1 0 498.598 7.326 1 0 JKAFRM Cc1cc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000028710191 563075990 /nfs/dbraw/zinc/07/59/90/563075990.db2.gz HLHWPILWJFQPRD-UHFFFAOYSA-N -1 0 468.522 6.067 1 0 JKAFRM Cc1cc(SCc2nc(-c3ccc(C(C)(C)C)cc3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000028710194 563076132 /nfs/dbraw/zinc/07/61/32/563076132.db2.gz RZGXJNCOBNXAPV-UHFFFAOYSA-N -1 0 456.633 6.345 1 0 JKAFRM CC[C@H](CNC(=O)c1ccc2c(c1)c(Cc1ccc(C(=O)[O-])cc1OC)cn2C)CC(F)(F)F ZINC000028755642 563077665 /nfs/dbraw/zinc/07/76/65/563077665.db2.gz QQVMIQBUZKHSLA-HNNXBMFYSA-N -1 0 476.495 5.184 1 0 JKAFRM CC[C@@H](CNC(=O)c1ccc2c(c1)c(Cc1ccc(C(=O)[O-])cc1OC)cn2C)CC(F)(F)F ZINC000028755640 563077667 /nfs/dbraw/zinc/07/76/67/563077667.db2.gz QQVMIQBUZKHSLA-OAHLLOKOSA-N -1 0 476.495 5.184 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C([P@@](=O)([O-])O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028760230 563078125 /nfs/dbraw/zinc/07/81/25/563078125.db2.gz NQPRMLZAGJVYPH-AUKZVGPFSA-N -1 0 463.599 5.882 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C([P@@](=O)([O-])O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028760226 563078148 /nfs/dbraw/zinc/07/81/48/563078148.db2.gz NQPRMLZAGJVYPH-QQINFNOISA-N -1 0 463.599 5.882 1 0 JKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000028760873 563078205 /nfs/dbraw/zinc/07/82/05/563078205.db2.gz RAAARLHMVPDBRN-NRFANRHFSA-N -1 0 483.996 5.271 1 0 JKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000028760875 563078231 /nfs/dbraw/zinc/07/82/31/563078231.db2.gz RAAARLHMVPDBRN-OAQYLSRUSA-N -1 0 483.996 5.271 1 0 JKAFRM CSc1ccc(OCc2ccc(F)cc2F)c(C2=C(c3cccc(C(=O)[O-])c3)CCC2)c1 ZINC000028819260 563080404 /nfs/dbraw/zinc/08/04/04/563080404.db2.gz WSRQSKIWKAAXKN-UHFFFAOYSA-N -1 0 452.522 7.059 1 0 JKAFRM CC[C@@H](c1ccc(Cl)cc1)[C@@H]1c2c(cc(F)cc2S(C)(=O)=O)C2=C1[C@@H](CC(=O)[O-])CC2 ZINC000028821756 563080768 /nfs/dbraw/zinc/08/07/68/563080768.db2.gz MRJREXXBTYDOKA-DOLBFCBYSA-N -1 0 462.970 5.812 1 0 JKAFRM Cc1cc(SCc2nsc(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OC(C)(C)C(=O)[O-] ZINC000028821851 563080805 /nfs/dbraw/zinc/08/08/05/563080805.db2.gz LEZYIYZIYKDSJI-UHFFFAOYSA-N -1 0 484.521 5.946 1 0 JKAFRM COC(=O)[C@]1(CC(C)C)C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822177 563080931 /nfs/dbraw/zinc/08/09/31/563080931.db2.gz UBBFZFRBIXGXSK-CECAUBDESA-N -1 0 483.508 5.013 1 0 JKAFRM O=C([O-])Cc1csc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc12 ZINC000028822713 563081231 /nfs/dbraw/zinc/08/12/31/563081231.db2.gz PSCZHGLGZAJATA-UHFFFAOYSA-N -1 0 472.484 6.705 1 0 JKAFRM COc1ccc(-c2ccc(/C=C(/Br)C(=O)[O-])cc2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000028825680 563082238 /nfs/dbraw/zinc/08/22/38/563082238.db2.gz ZAOXSFCULZDEML-FOKLQQMPSA-N -1 0 467.403 6.650 1 0 JKAFRM O=C([O-])COc1c(O)cc(-c2cccc(C(F)(F)F)c2)cc1OCc1ccc(C(F)(F)F)cc1 ZINC000028825959 563082244 /nfs/dbraw/zinc/08/22/44/563082244.db2.gz BWSKSWFFFBIMRW-UHFFFAOYSA-N -1 0 486.364 6.139 1 0 JKAFRM Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)c(Cl)cc4[nH]3)c2)ccc1CCC(=O)[O-] ZINC000028825485 563082257 /nfs/dbraw/zinc/08/22/57/563082257.db2.gz DCPNQRIWTPRDLD-UHFFFAOYSA-N -1 0 497.378 6.523 1 0 JKAFRM CCOc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)cc1 ZINC000028891497 563085173 /nfs/dbraw/zinc/08/51/73/563085173.db2.gz GLJDOZSNOHZJFG-QFIPXVFZSA-N -1 0 475.589 5.261 1 0 JKAFRM CCc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)cc1 ZINC000028891487 563085193 /nfs/dbraw/zinc/08/51/93/563085193.db2.gz CEZQCSLTMJJXSS-QHCPKHFHSA-N -1 0 459.590 5.424 1 0 JKAFRM CC[C@H](Oc1cccc(CCN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900661 563085994 /nfs/dbraw/zinc/08/59/94/563085994.db2.gz ZXGVZFWJJZQPQY-VWLOTQADSA-N -1 0 474.557 5.588 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cccc(F)c3o2)c1)C(=O)[O-] ZINC000028900693 563086000 /nfs/dbraw/zinc/08/60/00/563086000.db2.gz QZIOAMSWWCXMEA-DEOSSOPVSA-N -1 0 478.520 5.685 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900634 563086013 /nfs/dbraw/zinc/08/60/13/563086013.db2.gz OHMRDPQUJCZKEP-XMMPIXPASA-N -1 0 460.530 5.546 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3c(cccc3O)o2)c1)C(=O)[O-] ZINC000028900730 563086016 /nfs/dbraw/zinc/08/60/16/563086016.db2.gz QCHORGPKCWHJRI-QHCPKHFHSA-N -1 0 476.529 5.251 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(F)ccc3o2)c1)C(=O)[O-] ZINC000028900665 563086019 /nfs/dbraw/zinc/08/60/19/563086019.db2.gz SZSLEUWJFXSNBT-XMMPIXPASA-N -1 0 478.520 5.685 1 0 JKAFRM CC(C)(Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900610 563086032 /nfs/dbraw/zinc/08/60/32/563086032.db2.gz KJPDQWIITYYRJG-UHFFFAOYSA-N -1 0 460.530 5.546 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(O)ccc3o2)c1)C(=O)[O-] ZINC000028900742 563086033 /nfs/dbraw/zinc/08/60/33/563086033.db2.gz JBQAOPUCDXXIEI-XMMPIXPASA-N -1 0 476.529 5.251 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cccc(F)c3o2)c1)C(=O)[O-] ZINC000028900688 563086038 /nfs/dbraw/zinc/08/60/38/563086038.db2.gz QZIOAMSWWCXMEA-XMMPIXPASA-N -1 0 478.520 5.685 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccc(F)cc2F)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900828 563086068 /nfs/dbraw/zinc/08/60/68/563086068.db2.gz HGYFWXHSYVRIOW-QHCPKHFHSA-N -1 0 496.510 5.824 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccc(C)cc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900798 563086072 /nfs/dbraw/zinc/08/60/72/563086072.db2.gz SXMIDYNDXXPCOZ-RUZDIDTESA-N -1 0 474.557 5.854 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccc(F)c(F)c2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900851 563086075 /nfs/dbraw/zinc/08/60/75/563086075.db2.gz MPBHLZVPTIMFPK-DEOSSOPVSA-N -1 0 496.510 5.824 1 0 JKAFRM CC(C)(C)c1ccc(CN(CCOc2ccc(CCC(=O)[O-])cc2)c2nc3ccccc3s2)cc1 ZINC000028902543 563086328 /nfs/dbraw/zinc/08/63/28/563086328.db2.gz FDQATLLJBRABRJ-UHFFFAOYSA-N -1 0 488.653 6.697 1 0 JKAFRM O=C([O-])c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl ZINC000028949082 563086743 /nfs/dbraw/zinc/08/67/43/563086743.db2.gz RZFRHJXGOFXNIG-UHFFFAOYSA-N -1 0 472.151 7.156 1 0 in-vitro JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(CCCC(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952180 563087398 /nfs/dbraw/zinc/08/73/98/563087398.db2.gz AVPNMPZREGIDAY-UHFFFAOYSA-N -1 0 463.496 6.002 1 0 JKAFRM Cc1cc2c(cc1-c1cc([C@H]3C[C@@H]3C(=O)[O-])ccc1OCC(F)(F)F)N(C)C(=O)CC2(C)C ZINC000028952287 563087459 /nfs/dbraw/zinc/08/74/59/563087459.db2.gz ICPNIFOBOKKLKY-AEFFLSMTSA-N -1 0 461.480 5.435 1 0 JKAFRM C[C@@H](CCN1CCC(=O)N1CCc1ccc(C(=O)[O-])cc1)Cc1cccc(CCc2ccccc2)c1 ZINC000028962123 563089067 /nfs/dbraw/zinc/08/90/67/563089067.db2.gz FXVFVYZJBYZZOG-DEOSSOPVSA-N -1 0 484.640 5.431 1 0 JKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3cccc(Cl)c3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962527 563089122 /nfs/dbraw/zinc/08/91/22/563089122.db2.gz IFTDKNFNBSSZJY-HSZRJFAPSA-N -1 0 467.352 6.266 1 0 JKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3ccc(Cl)cc3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962518 563089138 /nfs/dbraw/zinc/08/91/38/563089138.db2.gz XNMVOLOKGAWIEC-HSZRJFAPSA-N -1 0 467.352 6.266 1 0 JKAFRM COc1ccc(-n2nc(/C=C(\C(=O)[O-])c3cccc(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963360 563089221 /nfs/dbraw/zinc/08/92/21/563089221.db2.gz YQCBMSKNPIORAW-BKUYFWCQSA-N -1 0 499.781 7.133 1 0 JKAFRM CCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972047 563089781 /nfs/dbraw/zinc/08/97/81/563089781.db2.gz VFIJWZGAHBZYDJ-DEOSSOPVSA-N -1 0 482.690 6.957 1 0 JKAFRM CCCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972100 563089790 /nfs/dbraw/zinc/08/97/90/563089790.db2.gz WJUQFNQTBCRQQU-DEOSSOPVSA-N -1 0 497.705 6.290 1 0 JKAFRM C/C(=C\CC[C@@H](CCCc1ccoc1)COS(=O)(=O)[O-])CC[C@H]1C(C)=CCCC1(C)C ZINC000028973320 563089846 /nfs/dbraw/zinc/08/98/46/563089846.db2.gz MSQUWENCRGKHFA-FXRTWUCVSA-N -1 0 452.657 6.927 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc3c(c2Br)C[C@H](C(=O)[O-])N3)ccc1O ZINC000028973880 563089931 /nfs/dbraw/zinc/08/99/31/563089931.db2.gz WWULLZPJLUHINM-CQSZACIVSA-N -1 0 471.145 5.254 1 0 JKAFRM O=C([O-])Cc1cccc2c(NCc3cccc(-c4ccnc5c4cccc5C(F)(F)F)c3)cccc12 ZINC000028978905 563090357 /nfs/dbraw/zinc/09/03/57/563090357.db2.gz YLJKCCPSAPDTDJ-UHFFFAOYSA-N -1 0 486.493 7.313 1 0 JKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccc([C@H]4C[C@@H]4C(=O)[O-])cc3)c2)c1)S(C)(=O)=O ZINC000029037785 563090573 /nfs/dbraw/zinc/09/05/73/563090573.db2.gz LWGNZANWYDVSLC-RSXGOPAZSA-N -1 0 485.605 6.037 1 0 JKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccc([C@H]4C[C@H]4C(=O)[O-])cc3)c2)c1)S(C)(=O)=O ZINC000029037789 563090621 /nfs/dbraw/zinc/09/06/21/563090621.db2.gz LWGNZANWYDVSLC-AOYPEHQESA-N -1 0 485.605 6.037 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000029053237 563093249 /nfs/dbraw/zinc/09/32/49/563093249.db2.gz BEQASZAURDGDEF-LLVKDONJSA-N -1 0 487.496 5.316 1 0 JKAFRM CS[C@@H](C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000029054062 563093324 /nfs/dbraw/zinc/09/33/24/563093324.db2.gz CQWJBYHLQGBKRX-QWHCGFSZSA-N -1 0 450.000 6.971 1 0 JKAFRM CCCC/C=C\CCCCCCCC(=O)NCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC000029056188 563093551 /nfs/dbraw/zinc/09/35/51/563093551.db2.gz HYIOWSSTKOWVRT-XIUULHIQSA-N -1 0 472.670 6.009 1 0 JKAFRM Cc1cc(SCc2nc(-c3ccc(Cl)cc3Cl)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029058241 563093750 /nfs/dbraw/zinc/09/37/50/563093750.db2.gz QDHGUQJAWFDXPA-UHFFFAOYSA-N -1 0 469.415 6.355 1 0 JKAFRM COc1cc(-c2nnc(-c3ccc([O-])c(Cl)c3)s2)cc(OC)c1OCc1ccc(C(C)C)cc1 ZINC000029126358 563095176 /nfs/dbraw/zinc/09/51/76/563095176.db2.gz UGFJVIINYIEWHS-UHFFFAOYSA-N -1 0 497.016 6.951 1 0 JKAFRM CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)[O-] ZINC000029127281 563095605 /nfs/dbraw/zinc/09/56/05/563095605.db2.gz ZJCRQDAZZZBPKA-KYMSCHBBSA-N -1 0 475.629 5.746 1 0 JKAFRM Cc1oc(-c2cc3ccccc3s2)nc1COc1ccc(CCC[C@@H]2OC(=O)[N-]C2=O)cc1 ZINC000029322270 563100218 /nfs/dbraw/zinc/10/02/18/563100218.db2.gz XCTBHBDICLJECX-FQEVSTJZSA-N -1 0 462.527 5.401 1 0 JKAFRM CCCCC[C@@H](CCCOC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000029325155 563100419 /nfs/dbraw/zinc/10/04/19/563100419.db2.gz IUEZBXDATYBWIN-KXBFYZLASA-N -1 0 460.398 5.149 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)cc1 ZINC000029333025 563100657 /nfs/dbraw/zinc/10/06/57/563100657.db2.gz AJGGEXGEYWLKKM-QHCPKHFHSA-N -1 0 484.383 6.252 1 0 JKAFRM CCCCOc1c(-c2cccc3cc(/C(C)=C(\F)C(=O)[O-])oc32)cc(C(C)C)cc1C(C)C ZINC000029339038 563100916 /nfs/dbraw/zinc/10/09/16/563100916.db2.gz AHLAAPXBKCKDHE-BWAHOGKJSA-N -1 0 452.566 8.311 1 0 JKAFRM O=c1[nH]c2cc(C(F)(F)F)ccc2c(Cc2cccc(Cl)c2)c1[N-]S(=O)(=O)C(F)(F)F ZINC000029390395 563101704 /nfs/dbraw/zinc/10/17/04/563101704.db2.gz LEYHKSSLKZBJBQ-UHFFFAOYSA-N -1 0 484.805 5.053 1 0 JKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)c1cccc(-c2cccc(Cl)c2)c1 ZINC000029402559 563102570 /nfs/dbraw/zinc/10/25/70/563102570.db2.gz HWJIRHWLJWIICT-MJWMLUGYSA-N -1 0 455.982 5.623 1 0 JKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)c1cccc(-c2cccc(Cl)c2)c1 ZINC000029402563 563102638 /nfs/dbraw/zinc/10/26/38/563102638.db2.gz HWJIRHWLJWIICT-SVTOKYKXSA-N -1 0 455.982 5.623 1 0 JKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(cc3C(=O)[O-])CC(=O)CC[C@H](C)CCC[C@@]21C ZINC000029409182 563103099 /nfs/dbraw/zinc/10/30/99/563103099.db2.gz RDSUPBNWZZGNKW-DDEQKINUSA-N -1 0 454.695 8.059 1 0 JKAFRM O=C1C[C@H](c2nnn[n-]2)Oc2cc(/C=C/c3cccc(OCc4ccc5ccccc5n4)c3)ccc21 ZINC000029410174 563103144 /nfs/dbraw/zinc/10/31/44/563103144.db2.gz GFVXVMKTTLRFSJ-HBIFQHOTSA-N -1 0 475.508 5.204 1 0 JKAFRM CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)[O-])c-2cc1 ZINC000029411142 563103335 /nfs/dbraw/zinc/10/33/35/563103335.db2.gz VRCKXVQAPXCSEC-UHFFFAOYSA-N -1 0 475.632 5.316 1 0 JKAFRM C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])C[C@H](O)CC1 ZINC000029412960 563103368 /nfs/dbraw/zinc/10/33/68/563103368.db2.gz DMANGOFWCGEISU-CZSHFKAJSA-N -1 0 454.695 7.771 1 0 JKAFRM CCCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(C(=O)[O-])s1 ZINC000029414448 563103541 /nfs/dbraw/zinc/10/35/41/563103541.db2.gz IQUOPXRCEVPYEM-UHFFFAOYSA-N -1 0 462.579 5.275 1 0 JKAFRM CCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc2c1O[C@H](C(=O)[O-])CC2=O ZINC000029463757 563103923 /nfs/dbraw/zinc/10/39/23/563103923.db2.gz AKGGYSQRBUBTMP-NDEPHWFRSA-N -1 0 497.547 5.764 1 0 JKAFRM CCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)ccc2c1O[C@@H](C(=O)[O-])CC2=O ZINC000029463760 563103958 /nfs/dbraw/zinc/10/39/58/563103958.db2.gz AKGGYSQRBUBTMP-MUUNZHRXSA-N -1 0 497.547 5.764 1 0 JKAFRM O=C([O-])c1ccc(Cl)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(C(F)(F)F)cc1)[C@H]2O ZINC000029483579 563105426 /nfs/dbraw/zinc/10/54/26/563105426.db2.gz SCMGRYMUMDYDBU-OYHNWAKOSA-N -1 0 462.851 6.009 1 0 JKAFRM CCCc1c(OCCCOc2c(C)c(C)c3c(c2C)CC[C@@](C)(C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545143 563105920 /nfs/dbraw/zinc/10/59/20/563105920.db2.gz GYAVXQLBLZJDGC-NDEPHWFRSA-N -1 0 484.589 5.489 1 0 JKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCC(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029546377 563105971 /nfs/dbraw/zinc/10/59/71/563105971.db2.gz HAVIXGRYNLZBRA-HXUWFJFHSA-N -1 0 488.487 5.378 1 0 JKAFRM CCCc1c(OCCCCCCc2cc3c(cc2C(C)=O)CC[C@@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029546606 563105984 /nfs/dbraw/zinc/10/59/84/563105984.db2.gz HJYUFKVHWYNTSO-SANMLTNESA-N -1 0 496.600 5.710 1 0 JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000029549146 563106223 /nfs/dbraw/zinc/10/62/23/563106223.db2.gz MUCRYNWJQNHDJH-HTSBVLJZSA-N -1 0 454.695 7.298 1 0 JKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000029568179 563107557 /nfs/dbraw/zinc/10/75/57/563107557.db2.gz WRGYZQBWZGPQHO-WBTDYNSJSA-N -1 0 463.618 6.036 1 0 JKAFRM Cc1c([C@H](Cc2ccccc2N(C)C(=O)/C=C\C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc2n1C ZINC000031829866 563108539 /nfs/dbraw/zinc/10/85/39/563108539.db2.gz SFGICHGJLNBELA-NSNCMOJPSA-N -1 0 491.591 5.946 1 0 JKAFRM CC(C)=C1C=CC2=C(C=C1CCC(=O)[O-])CC[C@]1(C)[C@@H]([C@H](C)[C@@H]3CC=C(C)C(=O)O3)CC[C@@]21C ZINC000031997044 563109216 /nfs/dbraw/zinc/10/92/16/563109216.db2.gz TYAJEEFQBLTASC-NNIFVFKYSA-N -1 0 464.646 7.095 1 0 biogenic,in-vitro JKAFRM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(=O)oc12 ZINC000033499626 563110726 /nfs/dbraw/zinc/11/07/26/563110726.db2.gz KIEVDFRSMMJDAN-HSZRJFAPSA-N -1 0 489.568 5.198 1 0 JKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(C(C)=O)c1O ZINC000034274880 563112891 /nfs/dbraw/zinc/11/28/91/563112891.db2.gz VMTGXLWOZMJHCP-DEOSSOPVSA-N -1 0 470.562 5.126 1 0 JKAFRM Cc1cc(NC(=O)CC(=O)[O-])c2c(c1Oc1ccc(O)c(CCc3ccc(F)c(F)c3)c1)CCC2 ZINC000034377455 563113378 /nfs/dbraw/zinc/11/33/78/563113378.db2.gz WTEXNXXPHWVVDS-UHFFFAOYSA-N -1 0 481.495 5.458 1 0 JKAFRM COC(=O)c1[n-]c(C(=O)OC)c(-c2c[nH]c3ccc(Cl)cc32)c1-c1c[nH]c2ccc(Cl)cc21 ZINC000034482356 563113717 /nfs/dbraw/zinc/11/37/17/563113717.db2.gz YYBKJQDTRQASSS-UHFFFAOYSA-N -1 0 482.323 6.191 1 0 JKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)[O-])c2ncco2)cc1 ZINC000034603771 563114080 /nfs/dbraw/zinc/11/40/80/563114080.db2.gz VUKRSMHFGJUNGN-IBGZPJMESA-N -1 0 488.487 6.311 1 0 JKAFRM O=C([O-])C1CCN(c2ncccc2-c2ccc(Cl)c(C(=O)NCC3CCCCCC3)c2)CC1 ZINC000034631589 563114142 /nfs/dbraw/zinc/11/41/42/563114142.db2.gz BIBCEJXKTMYFRC-UHFFFAOYSA-N -1 0 470.013 5.403 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCn1ccc2cc(CC(=O)[O-])ccc21 ZINC000034717663 563114713 /nfs/dbraw/zinc/11/47/13/563114713.db2.gz VPVFJCQJGDFRIA-UHFFFAOYSA-N -1 0 460.452 5.850 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(C)c1ccc(CC(=O)[O-])c(C)c1 ZINC000034717665 563114716 /nfs/dbraw/zinc/11/47/16/563114716.db2.gz AVSJVGZIDNEDSK-UHFFFAOYSA-N -1 0 464.484 5.640 1 0 JKAFRM CCCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)[O-] ZINC000034717673 563114725 /nfs/dbraw/zinc/11/47/25/563114725.db2.gz SNELYVVCHDOVFP-HSZRJFAPSA-N -1 0 486.490 6.094 1 0 JKAFRM CCOc1cc(CN2CCC(Nc3nc4cc(C(=O)[O-])ccc4o3)CC2)cc(OCC)c1Cl ZINC000034964402 563117724 /nfs/dbraw/zinc/11/77/24/563117724.db2.gz DDDLCIAZEXUUFD-UHFFFAOYSA-N -1 0 473.957 5.053 1 0 JKAFRM CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000035034314 563118371 /nfs/dbraw/zinc/11/83/71/563118371.db2.gz XSLKAKROJKMHIT-HBZKPHNJSA-N -1 0 470.694 6.291 1 0 JKAFRM C[C@H](C(=O)NCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035050538 563118468 /nfs/dbraw/zinc/11/84/68/563118468.db2.gz RTLWWMBSYRTPIA-LVDMELCGSA-N -1 0 459.671 5.324 1 0 JKAFRM O=C([O-])c1c2ccc3c(c2nc(Cc2ccc(Cl)cc2)c1NC(=O)c1ccccc1)CCCC3 ZINC000035087092 563119103 /nfs/dbraw/zinc/11/91/03/563119103.db2.gz LYXSJONFRNANFM-UHFFFAOYSA-N -1 0 470.956 6.308 1 0 JKAFRM O=C([O-])c1c(O)c(Cc2ccc(Cl)cc2)nc2c1ccc1c2CN(Cc2ccccc2)CC1 ZINC000035087126 563119130 /nfs/dbraw/zinc/11/91/30/563119130.db2.gz NUXXWUWHNXWSHE-UHFFFAOYSA-N -1 0 458.945 5.441 1 0 JKAFRM CC(C)OC(=O)n1cc(Cc2nc3c(ccc4c3CCCC4)c(C(=O)[O-])c2O)c2ccccc21 ZINC000035087076 563119134 /nfs/dbraw/zinc/11/91/34/563119134.db2.gz HVASZMNCFPMMDD-UHFFFAOYSA-N -1 0 458.514 5.456 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2[C@@H]2C[C@]2(C(=O)N2CCOCC2)C1 ZINC000035278779 563119974 /nfs/dbraw/zinc/11/99/74/563119974.db2.gz SBFKGFBVADYQPX-NGQVCNFZSA-N -1 0 484.596 5.400 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nonc6C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000035570615 563120181 /nfs/dbraw/zinc/12/01/81/563120181.db2.gz PVMMAUQTRBJOMP-NFNZRTAHSA-N -1 0 480.693 6.970 1 0 JKAFRM O=C([O-])Cc1sc([C@H](c2ccccc2)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000035879968 563121036 /nfs/dbraw/zinc/12/10/36/563121036.db2.gz RSXKKNQRSFGEQT-JOCHJYFZSA-N -1 0 454.378 6.924 1 0 JKAFRM Cc1ccc(-c2ccc(S[C@H](CC(C)C)c3ccc(C(=O)NCCC(=O)[O-])cc3)cc2)cc1C ZINC000035952828 563121576 /nfs/dbraw/zinc/12/15/76/563121576.db2.gz GQSLKSSTHUALIB-HHHXNRCGSA-N -1 0 475.654 7.054 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)C)c(C)c1 ZINC000035974789 563121627 /nfs/dbraw/zinc/12/16/27/563121627.db2.gz PKRTXXSIBBFUMG-CLOONOSVSA-N -1 0 491.588 5.406 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(C(=O)[O-])CCCCCC2)c(C)c1 ZINC000035999162 563121878 /nfs/dbraw/zinc/12/18/78/563121878.db2.gz VAJWMCGTGCHONC-UHFFFAOYSA-N -1 0 487.600 6.316 1 0 JKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C(=O)[O-])[C@]3(C)CC[C@@H]2C1(C)C ZINC000036088466 563121946 /nfs/dbraw/zinc/12/19/46/563121946.db2.gz IQYUEJTVDLHZDJ-GVAQQSJKSA-N -1 0 498.748 7.804 1 0 in-vivo JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@H]2CC[C@H](O)Cc2cccc(-c3ccccc3)c2)cc1 ZINC000036160056 563122957 /nfs/dbraw/zinc/12/29/57/563122957.db2.gz FBSYWZQEXIMEQD-IZLXSDGUSA-N -1 0 471.597 5.359 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(C(C)=O)c1 ZINC000036176005 563123205 /nfs/dbraw/zinc/12/32/05/563123205.db2.gz NRSPDTUSPMLTLZ-VWLOTQADSA-N -1 0 457.530 5.066 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(C(C)C)c1 ZINC000036175997 563123208 /nfs/dbraw/zinc/12/32/08/563123208.db2.gz YXCTZWLWOZHFGW-SANMLTNESA-N -1 0 457.574 5.987 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC(C(F)(F)F)=C4C=C(C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000036189577 563124034 /nfs/dbraw/zinc/12/40/34/563124034.db2.gz LSPYBPBRMHHSMT-JPIIIPPJSA-N -1 0 495.626 6.764 1 0 JKAFRM O=C([O-])C[C@@H]1CCCc2c3cccc(C(=O)Nc4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190283 563124121 /nfs/dbraw/zinc/12/41/21/563124121.db2.gz LSPSJQUSSWRPTE-IBGZPJMESA-N -1 0 472.972 6.490 1 0 JKAFRM O=C([O-])C[C@H]1CCCc2c3cccc(C(=O)Nc4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190281 563124141 /nfs/dbraw/zinc/12/41/41/563124141.db2.gz LSPSJQUSSWRPTE-LJQANCHMSA-N -1 0 472.972 6.490 1 0 JKAFRM O=C([O-])C[C@H]1CCCc2c3cccc([S@](=O)c4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190345 563124233 /nfs/dbraw/zinc/12/42/33/563124233.db2.gz WRMLVALLVQNILX-ASPBEGMCSA-N -1 0 478.013 6.404 1 0 JKAFRM O=C([O-])C[C@@H]1CCCc2c3cccc([S@](=O)Cc4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190312 563124256 /nfs/dbraw/zinc/12/42/56/563124256.db2.gz YXACEIROLMUHRO-TXRXYBTHSA-N -1 0 492.040 6.545 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H]2c3ccccc3[C@@](C)(O)[C@@H]2C(=O)[O-])cc1 ZINC000036222514 563124602 /nfs/dbraw/zinc/12/46/02/563124602.db2.gz FQSGMDJXWRKNSS-BEYSDYMESA-N -1 0 469.585 5.103 1 0 JKAFRM O=C([O-])CCS[C@@H](CCc1ccccc1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268530 563124988 /nfs/dbraw/zinc/12/49/88/563124988.db2.gz HGPNOCWAHWOYFE-MHZLTWQESA-N -1 0 492.040 7.349 1 0 JKAFRM CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000036350269 563126777 /nfs/dbraw/zinc/12/67/77/563126777.db2.gz VYJUQLZGTWSUBI-SJPQQIMFSA-N -1 0 470.738 7.910 1 0 JKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCCCc3ccccc3)cc1)n2C1CCCCC1 ZINC000036350376 563126788 /nfs/dbraw/zinc/12/67/88/563126788.db2.gz GOWXSVLQVCKWGD-UHFFFAOYSA-N -1 0 454.570 6.918 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccc(OCc3ccccc3)cc2OCC1 ZINC000036350478 563126790 /nfs/dbraw/zinc/12/67/90/563126790.db2.gz ZGTZSYZCOFTVJF-UHFFFAOYSA-N -1 0 467.565 7.026 1 0 JKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387320 563129152 /nfs/dbraw/zinc/12/91/52/563129152.db2.gz FWEZRKMUWKIUHT-DQEYMECFSA-N -1 0 482.001 5.845 3 0 JKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387330 563129160 /nfs/dbraw/zinc/12/91/60/563129160.db2.gz RBVRQCULUMILKV-ZCYQVOJMSA-N -1 0 498.000 5.545 3 0 JKAFRM CCc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387295 563129161 /nfs/dbraw/zinc/12/91/61/563129161.db2.gz ZMEKONVSLINZCC-UIOOFZCWSA-N -1 0 461.583 5.445 3 0 JKAFRM CCOc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387335 563129233 /nfs/dbraw/zinc/12/92/33/563129233.db2.gz IJQGRSPNEFTTCM-UIOOFZCWSA-N -1 0 495.572 5.421 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387337 563129239 /nfs/dbraw/zinc/12/92/39/563129239.db2.gz UHRWWWKNUFMGAH-ZEQRLZLVSA-N -1 0 485.964 5.676 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387338 563129255 /nfs/dbraw/zinc/12/92/55/563129255.db2.gz QDJWWRQGOJQUON-ZEQRLZLVSA-N -1 0 485.964 5.676 3 0 JKAFRM C[C@@H](c1ccc(Cl)c(F)c1)n1c2c(cc(F)cc2S(C)(=O)=O)c2c1[C@@H](CC(=O)[O-])CCC2 ZINC000036411401 563130012 /nfs/dbraw/zinc/13/00/12/563130012.db2.gz PZOJAPPZAXUOPF-GXTWGEPZSA-N -1 0 481.948 5.480 1 0 JKAFRM Cc1cc(OCc2cc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2)ccc1OCC(=O)[O-] ZINC000037866909 563131077 /nfs/dbraw/zinc/13/10/77/563131077.db2.gz BHBKYCXEDQWJEZ-UHFFFAOYSA-N -1 0 493.386 7.678 1 0 JKAFRM COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(COc3ccc(OCC(=O)[O-])c(C)c3)n2)cc1 ZINC000037866902 563131084 /nfs/dbraw/zinc/13/10/84/563131084.db2.gz OVPIQJYMFDLHTN-UHFFFAOYSA-N -1 0 486.524 5.179 1 0 JKAFRM CO[C@H]1C=C(CCC[C@H](CC[C@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)COS(=O)(=O)[O-])C(=O)O1 ZINC000038432886 563134453 /nfs/dbraw/zinc/13/44/53/563134453.db2.gz UZYGEULXQQDPRZ-LEMDGWGWSA-N -1 0 498.682 5.627 1 0 JKAFRM CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@H]1CC(=O)[O-] ZINC000038431922 563134481 /nfs/dbraw/zinc/13/44/81/563134481.db2.gz ANSZFKJHEBXZMZ-NSHDSACASA-N -1 0 485.414 5.250 1 0 JKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Br)c1 ZINC000038460951 563134690 /nfs/dbraw/zinc/13/46/90/563134690.db2.gz HKUSIDVVDBKDGU-QHHAFSJGSA-N -1 0 453.376 6.387 1 0 JKAFRM CCCCc1nc(Cl)c2n1[C@H](c1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CC=C2C(=O)[O-] ZINC000038576082 563135122 /nfs/dbraw/zinc/13/51/22/563135122.db2.gz SFHONCGPVWPLGC-FQEVSTJZSA-N -1 0 474.952 5.187 1 0 JKAFRM CC1(C)C(=O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000038802587 563135441 /nfs/dbraw/zinc/13/54/41/563135441.db2.gz NBVTUOKZVAKXHI-PEHYGLTBSA-N -1 0 470.694 6.413 1 0 JKAFRM C[C@]1(c2ccc(O)cc2)c2cc(C(=O)[O-])sc2C(=O)c2c1c1ccccc1n2Cc1ccccc1 ZINC000038803113 563135523 /nfs/dbraw/zinc/13/55/23/563135523.db2.gz LGSAGLNXNFFWPT-LJAQVGFWSA-N -1 0 479.557 6.054 1 0 JKAFRM CS(=O)(=O)c1ccnc2c1c(Sc1cccc(Cl)c1Cl)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000038943724 563135905 /nfs/dbraw/zinc/13/59/05/563135905.db2.gz ZDZJTARQTIAZKQ-LLVKDONJSA-N -1 0 485.414 5.250 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccnc3C)ccc2CCC(=O)[O-])c1 ZINC000038944029 563135911 /nfs/dbraw/zinc/13/59/11/563135911.db2.gz ORYAFYAAIMJZEZ-HHHXNRCGSA-N -1 0 488.628 6.120 1 0 JKAFRM CC(C)(C)c1cc(-c2cc(=O)c3ccc(OCCCS(=O)(=O)[O-])cc3o2)cc(C(C)(C)C)c1O ZINC000038970611 563135994 /nfs/dbraw/zinc/13/59/94/563135994.db2.gz ZWDRRKBPGQQCDV-UHFFFAOYSA-N -1 0 488.602 5.417 1 0 JKAFRM COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2C(=O)[O-])s1 ZINC000040380763 563137670 /nfs/dbraw/zinc/13/76/70/563137670.db2.gz VKCVWLPZQUEAHP-UHFFFAOYSA-N -1 0 465.405 5.296 1 0 JKAFRM CC(C)c1c(Nc2ccccc2)cc2c(c1Nc1ccccc1)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)[O-])C2 ZINC000040391616 563137851 /nfs/dbraw/zinc/13/78/51/563137851.db2.gz ZXMPYKPQYSJGMS-MBYALERHSA-N -1 0 482.668 8.293 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1ccc(OCCCOc2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000040392123 563137895 /nfs/dbraw/zinc/13/78/95/563137895.db2.gz BLFQYQIZKGIHMR-UHFFFAOYSA-N -1 0 489.612 5.185 1 0 JKAFRM C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000040392966 563138229 /nfs/dbraw/zinc/13/82/29/563138229.db2.gz QZNNDFPVPLYXIF-UDSWSONXSA-N -1 0 456.711 7.522 1 0 biogenic,in-vitro JKAFRM C[C@H]1C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1 ZINC000040394964 563138977 /nfs/dbraw/zinc/13/89/77/563138977.db2.gz MIJIVKZGVCKVEG-WUMMHROKSA-N -1 0 456.667 6.024 1 0 JKAFRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(F)cccc1F)C1CCCCC1 ZINC000040395642 563139271 /nfs/dbraw/zinc/13/92/71/563139271.db2.gz CAKSWDYCDXQKAB-QFIPXVFZSA-N -1 0 481.499 5.525 1 0 JKAFRM CCCCc1nc2cc(NC(=O)CCC)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000040401231 563139497 /nfs/dbraw/zinc/13/94/97/563139497.db2.gz DVSZUBSVCTUULM-UHFFFAOYSA-N -1 0 469.585 6.531 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])C[C@H](O)[C@@H]5CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000040401394 563139501 /nfs/dbraw/zinc/13/95/01/563139501.db2.gz OOFHJOXAWBEIEP-XSWDGSHTSA-N -1 0 458.683 5.814 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000040406395 563140123 /nfs/dbraw/zinc/14/01/23/563140123.db2.gz KQQAQIJJXTVYGQ-UHFFFAOYSA-N -1 0 479.536 5.746 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000040408123 563140350 /nfs/dbraw/zinc/14/03/50/563140350.db2.gz FIMKQDMLWGFYLN-UHFFFAOYSA-N -1 0 478.548 6.351 1 0 JKAFRM Cc1nc(-c2ccc3ccccc3c2)sc1C(=O)N(CC(=O)[O-])Cc1nc2ccccc2s1 ZINC000040413334 563141089 /nfs/dbraw/zinc/14/10/89/563141089.db2.gz JEAGXAHVMUSFHV-UHFFFAOYSA-N -1 0 473.579 5.608 1 0 JKAFRM CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc21)C(=O)[O-] ZINC000040413241 563141095 /nfs/dbraw/zinc/14/10/95/563141095.db2.gz VPJCAJLVMQCQIC-QFIPXVFZSA-N -1 0 451.544 5.518 1 0 JKAFRM O=C([O-])c1ccc(C(F)(F)F)cc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040413851 563141135 /nfs/dbraw/zinc/14/11/35/563141135.db2.gz CTVARXFAKKYFLG-UHFFFAOYSA-N -1 0 454.275 7.239 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(-c2nn(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC000040423892 563142529 /nfs/dbraw/zinc/14/25/29/563142529.db2.gz DWTWLIKCURZKRJ-UHFFFAOYSA-N -1 0 466.497 5.217 1 0 JKAFRM CCCCCCOc1cc(-c2cc(/C=C/C(=O)[O-])ccc2O)cc2c1C(C)(C)CCC2(C)C ZINC000040429034 563143261 /nfs/dbraw/zinc/14/32/61/563143261.db2.gz XPBCOPUFJIBNCH-ACCUITESSA-N -1 0 450.619 7.465 1 0 JKAFRM C[C@@]1(c2ccccc2)c2cc(C(=O)[O-])sc2C(=O)c2c1c1ccccc1n2Cc1ccc(O)cc1 ZINC000040465921 563144217 /nfs/dbraw/zinc/14/42/17/563144217.db2.gz PPEFERBITOOXRL-GDLZYMKVSA-N -1 0 479.557 6.054 1 0 JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000040564762 563145401 /nfs/dbraw/zinc/14/54/01/563145401.db2.gz HQGWITLOHQUPBL-VSGKQSHLSA-N -1 0 472.710 6.206 1 0 in-vivo JKAFRM O=S(=O)([N-]c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000040566098 563145767 /nfs/dbraw/zinc/14/57/67/563145767.db2.gz WTNYFWKGSWLVOH-UHFFFAOYSA-N -1 0 496.721 7.259 1 0 JKAFRM CC[P@](=O)([O-])[C@H](C(=O)N/C=C/c1ccc(F)c(F)c1)c1csc2ccc(Cl)cc21 ZINC000040585134 563146765 /nfs/dbraw/zinc/14/67/65/563146765.db2.gz OQZFHRRYYSVINB-UCFODXPJSA-N -1 0 455.850 5.951 1 0 JKAFRM CN(C(=O)c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1ccc(Cl)cc1 ZINC000040639453 563147231 /nfs/dbraw/zinc/14/72/31/563147231.db2.gz VCIAFTRLPHGLSS-UHFFFAOYSA-N -1 0 488.758 5.571 1 0 JKAFRM C[P@](=O)([O-])[C@@H](C(=O)N/C=C/c1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc21 ZINC000040753702 563147805 /nfs/dbraw/zinc/14/78/05/563147805.db2.gz WQQJKGVIJLVFDM-SHCNBLLESA-N -1 0 458.278 6.076 1 0 JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1 ZINC000040762863 563147898 /nfs/dbraw/zinc/14/78/98/563147898.db2.gz LUJTWDWEYNWTBP-USPQCQLHSA-N -1 0 472.710 6.204 1 0 in-vivo JKAFRM Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1cc(O[C@@H](C)C(=O)[O-])ccc1Cl ZINC000040845182 563149088 /nfs/dbraw/zinc/14/90/88/563149088.db2.gz IYMDFDVNLSIDNM-HNNXBMFYSA-N -1 0 471.340 6.344 1 0 JKAFRM CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2F)c1)C(=O)[O-] ZINC000040847342 563149355 /nfs/dbraw/zinc/14/93/55/563149355.db2.gz KSIQZOUSAASEIJ-ZTJSMJMPSA-N -1 0 493.619 5.885 1 0 JKAFRM CC[C@H](Cc1cc(F)c(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)[O-] ZINC000040847346 563149369 /nfs/dbraw/zinc/14/93/69/563149369.db2.gz OXCSNXHRBNHNAM-ZTJSMJMPSA-N -1 0 493.619 5.885 1 0 JKAFRM Cc1cccc(Cl)c1NC(=O)Nc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c2ccccc12 ZINC000040864005 563150676 /nfs/dbraw/zinc/15/06/76/563150676.db2.gz UMVFGBGHSFMMIG-DEOSSOPVSA-N -1 0 493.991 6.209 1 0 JKAFRM C[C@H](CCc1ccc(OCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040877923 563152526 /nfs/dbraw/zinc/15/25/26/563152526.db2.gz XESSOTGNCHFZKJ-HSZRJFAPSA-N -1 0 489.612 5.041 1 0 JKAFRM O=C([O-])[C@H]1C[C@@]12C[C@H](c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc1)NC2=O ZINC000040891583 563153065 /nfs/dbraw/zinc/15/30/65/563153065.db2.gz BFZXMIUWGSTUAL-YRKKDBSBSA-N -1 0 464.521 5.133 1 0 JKAFRM CC(C)Cc1cc(COc2ccc(N3CCCN([C@@H](C)C(=O)[O-])C3=O)cc2)c2ccccc2n1 ZINC000040891768 563153199 /nfs/dbraw/zinc/15/31/99/563153199.db2.gz QZQZBZSMHYPQIA-IBGZPJMESA-N -1 0 461.562 5.118 1 0 JKAFRM C/C(=C\CC[C@@H](C)[C@]1(C)CC[C@]2(C)C1=CC[C@@]1(O)[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C)C(=O)[O-] ZINC000040895327 563153788 /nfs/dbraw/zinc/15/37/88/563153788.db2.gz GBEVCPIJOYQRAL-HEGPDJCKSA-N -1 0 472.710 6.515 1 0 JKAFRM COc1ccc(S(=O)(=O)N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccc(C(=O)[O-])cn2)cc1 ZINC000040896500 563154050 /nfs/dbraw/zinc/15/40/50/563154050.db2.gz GLIAUYWGMWDHTB-UHFFFAOYSA-N -1 0 494.613 5.664 1 0 JKAFRM C[C@H](C(=O)[O-])c1ccc(OCCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1 ZINC000040898149 563154252 /nfs/dbraw/zinc/15/42/52/563154252.db2.gz VNXUUUCQTCVJGP-QHCPKHFHSA-N -1 0 489.612 5.356 1 0 JKAFRM CCCC(CCC)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000040899290 563154527 /nfs/dbraw/zinc/15/45/27/563154527.db2.gz ZUMUBJHONGJAGF-UHFFFAOYSA-N -1 0 489.616 6.562 1 0 JKAFRM COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)[O-])s3)c2cc1OC ZINC000040901108 563154809 /nfs/dbraw/zinc/15/48/09/563154809.db2.gz JAMDNXUAYUHJLJ-UHFFFAOYSA-N -1 0 478.448 5.400 1 0 JKAFRM CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000040914544 563155291 /nfs/dbraw/zinc/15/52/91/563155291.db2.gz AZEWLQWEZLEILO-LLVKDONJSA-N -1 0 485.414 5.250 1 0 JKAFRM CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@H]1C ZINC000040918083 563156128 /nfs/dbraw/zinc/15/61/28/563156128.db2.gz VGQCVDQJFOPLQF-VENSNSCWSA-N -1 0 486.693 5.097 1 0 JKAFRM CCCCC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000040933202 563156733 /nfs/dbraw/zinc/15/67/33/563156733.db2.gz OYKMUKPYVKVTGY-QHCPKHFHSA-N -1 0 475.589 6.172 1 0 JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000040936011 563157811 /nfs/dbraw/zinc/15/78/11/563157811.db2.gz GEMWBGFUVFFPKG-YJXFNZILSA-N -1 0 484.721 7.414 1 0 JKAFRM CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000040938250 563158392 /nfs/dbraw/zinc/15/83/92/563158392.db2.gz QQFMRSAZKNSIDN-JZTHNVADSA-N -1 0 472.710 6.515 1 0 JKAFRM C[C@@H]1CCC2=C(CCCC2(C)C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)[O-] ZINC000040940199 563158890 /nfs/dbraw/zinc/15/88/90/563158890.db2.gz YGCNNWSWMYDUKD-RNHFSVANSA-N -1 0 452.657 6.761 1 0 JKAFRM CC(C)c1cc2c(cc1NC(=O)Nc1ccc(F)c(Cl)c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040953388 563160292 /nfs/dbraw/zinc/16/02/92/563160292.db2.gz LEJZYTAYSKKMCG-XSBVVTFOSA-N -1 0 487.015 7.341 1 0 JKAFRM CC(C)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040974052 563161648 /nfs/dbraw/zinc/16/16/48/563161648.db2.gz ZWEOTUGDVACQGX-XSBVVTFOSA-N -1 0 454.010 6.811 1 0 JKAFRM CCCCC1(CCCC)OC(c2ccc3c(c2)OCO3)=NN1C(=O)[N-]C(=O)c1c(F)cccc1F ZINC000040976083 563162093 /nfs/dbraw/zinc/16/20/93/563162093.db2.gz HBTBSLBCZOVBMN-UHFFFAOYSA-N -1 0 487.503 5.314 1 0 JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000042852778 563162944 /nfs/dbraw/zinc/16/29/44/563162944.db2.gz OEMFBCQMOLVLCR-YYLQXJDASA-N -1 0 496.732 7.580 1 0 JKAFRM C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@@]1(C)O ZINC000042891316 563163596 /nfs/dbraw/zinc/16/35/96/563163596.db2.gz WJCIWKNYROGCFD-XOVAVQBPSA-N -1 0 474.726 6.284 1 0 JKAFRM O=C([O-])c1ccc(Cn2c(=O)c3ccc(Cl)cc3n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043068056 563166142 /nfs/dbraw/zinc/16/61/42/563166142.db2.gz XVHVBLMMFLDMKK-UHFFFAOYSA-N -1 0 496.950 5.201 1 0 JKAFRM Cc1c(CCCC(=O)[O-])c2ccccc2n1Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000043069115 563166159 /nfs/dbraw/zinc/16/61/59/563166159.db2.gz KTJFYWCIGWZLKT-FOWTUZBSSA-N -1 0 495.022 7.777 1 0 JKAFRM COc1ccc(CNc2nc3cc(C(=O)[O-])ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043068613 563166161 /nfs/dbraw/zinc/16/61/61/563166161.db2.gz JCRACLXVKBMSFI-UHFFFAOYSA-N -1 0 455.436 5.422 1 0 JKAFRM CC(C)(C)c1ccc(CN(Cc2cccc(CCC(=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 ZINC000043073022 563166409 /nfs/dbraw/zinc/16/64/09/563166409.db2.gz YUHXGDPKYPIVGM-UHFFFAOYSA-N -1 0 465.615 5.392 1 0 JKAFRM O=c1cc(-c2ccccc2)c2c([O-])cc(-c3cccc4c3Sc3ccccc3S4)cc2o1 ZINC000043078264 563166921 /nfs/dbraw/zinc/16/69/21/563166921.db2.gz JMVWHLSGZDWXGD-UHFFFAOYSA-N -1 0 452.556 7.448 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1-c1nc2ccccc2s1 ZINC000043080687 563167109 /nfs/dbraw/zinc/16/71/09/563167109.db2.gz ZJMAYRPPLWQIKW-UHFFFAOYSA-N -1 0 497.066 7.454 1 0 JKAFRM Cc1cc(C)n(-c2ccc(S(=O)(=O)[N-]c3sccc3-c3nc4ccccc4s3)cc2)n1 ZINC000043119803 563167287 /nfs/dbraw/zinc/16/72/87/563167287.db2.gz KZNAGRFDTKAKQQ-UHFFFAOYSA-N -1 0 466.613 5.628 1 0 JKAFRM Cc1ccnc(NCc2cc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)on2)c1 ZINC000043176801 563168126 /nfs/dbraw/zinc/16/81/26/563168126.db2.gz XRIHUZYLIIDSBZ-DEOSSOPVSA-N -1 0 498.583 5.008 1 0 JKAFRM O=C([O-])c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F ZINC000043196570 563168405 /nfs/dbraw/zinc/16/84/05/563168405.db2.gz NAWYFLWJURFURZ-UHFFFAOYSA-N -1 0 450.363 6.245 1 0 JKAFRM COC(=O)N(CC(=O)[O-])Cc1cccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000043200301 563168516 /nfs/dbraw/zinc/16/85/16/563168516.db2.gz OTQXWJUPSKJAGS-UHFFFAOYSA-N -1 0 480.464 5.061 1 0 JKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(NC(=O)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000043204654 563168658 /nfs/dbraw/zinc/16/86/58/563168658.db2.gz QUUNDKJSGFUQKY-QHCPKHFHSA-N -1 0 491.456 7.117 1 0 JKAFRM C[C@@H](O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000043273970 563169078 /nfs/dbraw/zinc/16/90/78/563169078.db2.gz HVHZKSZVTKBKLW-MKRQLWOCSA-N -1 0 460.699 5.894 1 0 JKAFRM Cc1ccc(-n2c(=S)[n-]nc2Cc2csc3nc(-c4ccc(Br)cc4)cn23)cc1 ZINC000045290887 563184967 /nfs/dbraw/zinc/18/49/67/563184967.db2.gz RZAISPFQDWNKSB-UHFFFAOYSA-N -1 0 482.432 5.968 1 0 JKAFRM CCOC(=O)c1c(-c2ccc(-c3ccc(F)cc3)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000045350667 563191740 /nfs/dbraw/zinc/19/17/40/563191740.db2.gz IKWFRDNKEPFJSB-UHFFFAOYSA-N -1 0 489.524 6.348 1 0 JKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCOc1cc(Cn3ccnc3)ccc1/C=C/C(=O)[O-])O2 ZINC000045351512 563191851 /nfs/dbraw/zinc/19/18/51/563191851.db2.gz RUCOQAKDGFQSIK-UWSNOUECSA-N -1 0 476.573 5.213 1 0 JKAFRM COc1cc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])ccn1 ZINC000045352037 563191950 /nfs/dbraw/zinc/19/19/50/563191950.db2.gz CHWIEHIITYRMBU-UHFFFAOYSA-N -1 0 452.482 5.299 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000045355194 563192314 /nfs/dbraw/zinc/19/23/14/563192314.db2.gz GADOLFXSPRLHPQ-UHFFFAOYSA-N -1 0 485.561 6.598 1 0 JKAFRM Cc1cccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])c1 ZINC000045355519 563192316 /nfs/dbraw/zinc/19/23/16/563192316.db2.gz KOSVUBTZPMOYMW-HHHXNRCGSA-N -1 0 459.586 6.108 1 0 JKAFRM CC(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-] ZINC000045356303 563192438 /nfs/dbraw/zinc/19/24/38/563192438.db2.gz XOACQTOEVJGFFE-VWLOTQADSA-N -1 0 459.586 5.670 1 0 JKAFRM Cc1ccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1C ZINC000045356990 563192467 /nfs/dbraw/zinc/19/24/67/563192467.db2.gz QPNYAFGLQDXISG-MUUNZHRXSA-N -1 0 473.613 6.417 1 0 JKAFRM C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000045358397 563192698 /nfs/dbraw/zinc/19/26/98/563192698.db2.gz YQUNVWHOTJLOLI-NSHDSACASA-N -1 0 468.789 6.488 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000045365609 563193006 /nfs/dbraw/zinc/19/30/06/563193006.db2.gz FWASKMZBRDMIFV-AREMUKBSSA-N -1 0 497.994 6.593 1 0 JKAFRM CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000045365796 563193044 /nfs/dbraw/zinc/19/30/44/563193044.db2.gz NAWJPGRPQOYISL-MOPGFXCFSA-N -1 0 451.544 5.575 1 0 JKAFRM CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000045365804 563193050 /nfs/dbraw/zinc/19/30/50/563193050.db2.gz NAWJPGRPQOYISL-RBUKOAKNSA-N -1 0 451.544 5.575 1 0 JKAFRM Cc1cccc(OCc2ccc(CCC(=O)[O-])c(C(=O)N[C@@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 ZINC000045366791 563193117 /nfs/dbraw/zinc/19/31/17/563193117.db2.gz VQNOXGXKPGYDCD-LJAQVGFWSA-N -1 0 487.640 6.725 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n(CC(=O)N1CCC(CCO)CC1)c(-c1ccoc1)c2C1CCCCC1 ZINC000045371061 563193670 /nfs/dbraw/zinc/19/36/70/563193670.db2.gz IUAQIGYNXPNHRM-UHFFFAOYSA-N -1 0 478.589 5.268 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000045372378 563193846 /nfs/dbraw/zinc/19/38/46/563193846.db2.gz HRIVQOQOXZBHSD-AREMUKBSSA-N -1 0 481.539 6.078 1 0 JKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000045391098 563195093 /nfs/dbraw/zinc/19/50/93/563195093.db2.gz GDKAKOSINJCVMM-UHFFFAOYSA-N -1 0 455.913 6.549 1 0 JKAFRM C[C@H](CC(=O)C[C@H](C)C(=O)[O-])C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000045484268 563195386 /nfs/dbraw/zinc/19/53/86/563195386.db2.gz MSMIBGMKDUWCSX-CSFGUCJGSA-N -1 0 470.694 6.579 1 0 JKAFRM CC[C@@H](C)C(=O)c1c([O-])c2c([C@@H](O)CC)cc(=O)oc2c(C/C=C(\C)CCC=C(C)C)c1O ZINC000045496185 563195685 /nfs/dbraw/zinc/19/56/85/563195685.db2.gz AGOSDMDNYICYIT-IZUCHYEISA-N -1 0 456.579 6.112 1 0 JKAFRM CC[C@H](O)c1cc(=O)oc2c(C/C=C(\C)CCC=C(C)C)c(O)c(C(=O)CC(C)C)c([O-])c12 ZINC000045496187 563195746 /nfs/dbraw/zinc/19/57/46/563195746.db2.gz VFFXVAIWQNEQSG-KDMTZKAISA-N -1 0 456.579 6.112 1 0 JKAFRM O=C([O-])CC[C@@]1(c2ccccc2C(F)(F)F)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000049014844 563197205 /nfs/dbraw/zinc/19/72/05/563197205.db2.gz WAFKWVRPHCVAGK-NRFANRHFSA-N -1 0 454.876 5.789 1 0 JKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(Cl)cc2)cc1 ZINC000049020965 563197644 /nfs/dbraw/zinc/19/76/44/563197644.db2.gz QZSGKXCNSCIVBM-UHFFFAOYSA-N -1 0 495.984 6.490 1 0 JKAFRM C[C@@H]1C[C@H](N(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049032650 563198042 /nfs/dbraw/zinc/19/80/42/563198042.db2.gz PDRXBJRVQAFAFO-PIKZIKFNSA-N -1 0 490.559 6.212 1 0 JKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(OC)cc2)cc1 ZINC000049033165 563198150 /nfs/dbraw/zinc/19/81/50/563198150.db2.gz OUCCEBJQIKGFIL-UHFFFAOYSA-N -1 0 475.497 5.377 1 0 JKAFRM CCCCOc1ccc(-c2ccc(C(=O)[O-])cc2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049033981 563198299 /nfs/dbraw/zinc/19/82/99/563198299.db2.gz RQQDYLFGRBOAIF-UHFFFAOYSA-N -1 0 489.465 6.319 1 0 JKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2cccc(Cl)c2)n1)c1cccc2ccccc21 ZINC000049067876 563200891 /nfs/dbraw/zinc/20/08/91/563200891.db2.gz HVMQERGLUKDWRN-FQEVSTJZSA-N -1 0 456.354 6.598 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(C)nc3)ccc2CCC(=O)[O-])c1 ZINC000049070162 563201147 /nfs/dbraw/zinc/20/11/47/563201147.db2.gz TYLXQEQRZMFKDE-MUUNZHRXSA-N -1 0 488.628 6.120 1 0 JKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2ccc(Cl)cc2)n1)c1cccc2ccccc21 ZINC000049071352 563201374 /nfs/dbraw/zinc/20/13/74/563201374.db2.gz ZURVSPQUXUYAKK-HXUWFJFHSA-N -1 0 456.354 6.598 1 0 JKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2ccc(Cl)cc2)n1)c1cccc2ccccc21 ZINC000049071350 563201395 /nfs/dbraw/zinc/20/13/95/563201395.db2.gz ZURVSPQUXUYAKK-FQEVSTJZSA-N -1 0 456.354 6.598 1 0 JKAFRM CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cc([C@H](C)C(=O)[O-])ccc4c3)cc21 ZINC000049087522 563201549 /nfs/dbraw/zinc/20/15/49/563201549.db2.gz YHLGAKNTVRCWMS-NRFANRHFSA-N -1 0 499.607 6.098 1 0 JKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2ccc3ccccc3c2)n1)c1cccc2ccccc21 ZINC000049087690 563201607 /nfs/dbraw/zinc/20/16/07/563201607.db2.gz FHLFDNGKWOUAFE-DEOSSOPVSA-N -1 0 471.969 7.098 1 0 JKAFRM O=c1[n-]c(SCc2ccc3ccccc3c2)nc(Cc2ccccc2)c1I ZINC000049088885 563201703 /nfs/dbraw/zinc/20/17/03/563201703.db2.gz HSHGGTBPIRMTHC-UHFFFAOYSA-N -1 0 484.362 5.823 1 0 JKAFRM COc1ccc([C@H]2CC(c3c([O-])c4ccccc4oc3=O)=NN2C(=S)Nc2ccccc2)cc1 ZINC000049090077 563202085 /nfs/dbraw/zinc/20/20/85/563202085.db2.gz SQNDSODTMYXLAF-OAQYLSRUSA-N -1 0 471.538 5.055 1 0 JKAFRM COc1ccc(N(c2nc(-c3cccc(F)c3)c(CC(=O)[O-])s2)c2ccc(OC)cc2)cc1 ZINC000049111851 563202303 /nfs/dbraw/zinc/20/23/03/563202303.db2.gz YIOQGJGORVOHMD-UHFFFAOYSA-N -1 0 464.518 6.063 1 0 JKAFRM O=C([O-])CC[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000049115207 563202808 /nfs/dbraw/zinc/20/28/08/563202808.db2.gz TVNCLEMLTQVHDY-NRFANRHFSA-N -1 0 454.876 5.789 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@@H](C[C@@H]1C=NC(C(c3ccccc3)c3ccccc3)=N1)C2 ZINC000049583189 563203064 /nfs/dbraw/zinc/20/30/64/563203064.db2.gz GFVOZAMRAFUEHJ-HYBUGGRVSA-N -1 0 452.554 5.329 1 0 JKAFRM C[C@H](CO)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049722924 563203226 /nfs/dbraw/zinc/20/32/26/563203226.db2.gz OSVQBBMHHPCLEQ-HROPLQTDSA-N -1 0 474.726 6.142 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000049769595 563203456 /nfs/dbraw/zinc/20/34/56/563203456.db2.gz YRGGCMQENORWIL-QHCPKHFHSA-N -1 0 451.522 6.508 1 0 JKAFRM C[C@H]1C[C@H](N(C(=O)CCCC(=O)[O-])c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049785679 563203793 /nfs/dbraw/zinc/20/37/93/563203793.db2.gz KBZFWHNDKMHXMD-CPJSRVTESA-N -1 0 456.542 5.455 1 0 JKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cc2ccsc2)cc1 ZINC000049808513 563204361 /nfs/dbraw/zinc/20/43/61/563204361.db2.gz CUYVPDWATVUSCU-UHFFFAOYSA-N -1 0 491.700 6.481 1 0 JKAFRM C[C@@H]1CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)C[C@@H](O)[C@@]34C)[C@@H]2[C@H]1C ZINC000049881608 563204604 /nfs/dbraw/zinc/20/46/04/563204604.db2.gz HTDSWOLCASHLBI-GKJJMWANSA-N -1 0 472.710 6.060 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4C=C[C@]3(O)[C@@H]2[C@H]1C ZINC000049888746 563204702 /nfs/dbraw/zinc/20/47/02/563204702.db2.gz APGMOSJLBDURNK-RUOWOPRNSA-N -1 0 472.710 6.060 1 0 JKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000049938522 563204762 /nfs/dbraw/zinc/20/47/62/563204762.db2.gz JDJHTJNBMZSSLK-UHFFFAOYSA-N -1 0 457.526 6.181 1 0 in-vitro JKAFRM COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000053226469 563205244 /nfs/dbraw/zinc/20/52/44/563205244.db2.gz WIHOGJPJBLNPTF-QRVIBDJDSA-N -1 0 493.512 5.348 1 0 JKAFRM CCCC[C@@H](Sc1nc(OCCc2ccsc2)cc(OCCc2ccsc2)n1)C(=O)[O-] ZINC000053229246 563205245 /nfs/dbraw/zinc/20/52/45/563205245.db2.gz QIQCUUUCCIRHPV-GOSISDBHSA-N -1 0 478.661 5.578 1 0 JKAFRM O=C([O-])c1cccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 ZINC000053297849 563205723 /nfs/dbraw/zinc/20/57/23/563205723.db2.gz GKBVTPZOEBZVIA-XKZIYDEJSA-N -1 0 463.486 5.339 1 0 JKAFRM CC(C)C[C@H](NC(=O)/C=C/CCCCCCCCCC=C(Br)Br)C(=O)[O-] ZINC000053298908 563205783 /nfs/dbraw/zinc/20/57/83/563205783.db2.gz RNFXWGVJWRJLCU-VSOYFRJCSA-N -1 0 495.296 6.300 1 0 JKAFRM O=C([O-])[C@@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)c1ccccc1 ZINC000053312609 563205805 /nfs/dbraw/zinc/20/58/05/563205805.db2.gz VHUIDJVKELHGQO-SANMLTNESA-N -1 0 486.593 5.638 1 0 JKAFRM O=C([O-])c1c(C(=O)c2ccccc2)sc2c(C3CC3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000058541840 563207182 /nfs/dbraw/zinc/20/71/82/563207182.db2.gz MOEWJCZKHUJZJU-UHFFFAOYSA-N -1 0 479.557 5.912 1 0 JKAFRM Cc1cccc(-c2sc3c(C4CC4)c(Cc4cccc5ccccc54)cc(=O)n3c2C(=O)[O-])c1 ZINC000058541570 563207184 /nfs/dbraw/zinc/20/71/84/563207184.db2.gz QMESSRIVMDANKZ-UHFFFAOYSA-N -1 0 465.574 6.656 1 0 JKAFRM O=C([O-])c1c(O)c(C2(c3ccc(OC(F)(F)F)cc3)CC2)nc2c1cccc2C(F)(F)F ZINC000058568699 563207443 /nfs/dbraw/zinc/20/74/43/563207443.db2.gz RMINXZUDJBOGEW-UHFFFAOYSA-N -1 0 457.326 5.636 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(CS(=O)(=O)[O-])ccc4[C@H]3CC[C@]12C)C(C)C ZINC000058569165 563207508 /nfs/dbraw/zinc/20/75/08/563207508.db2.gz XKUOWCWZTCTRRP-XCVFGXLCSA-N -1 0 461.668 5.192 1 0 JKAFRM CCn1c2ccccc2c2cc([C@@H]3S[C@@H](C)C(=O)N3[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc21 ZINC000058601862 563208290 /nfs/dbraw/zinc/20/82/90/563208290.db2.gz HACAKNDEZGBCMD-WDXFSKPBSA-N -1 0 497.620 5.954 1 0 JKAFRM O=C([O-])c1ccc2nc(-c3ccc(Cl)cc3)n([C@H](C(=O)NC3CCCCC3)C3CCCCC3)c2c1 ZINC000058661266 563208698 /nfs/dbraw/zinc/20/86/98/563208698.db2.gz BGTNSFBYQMPTOK-VWLOTQADSA-N -1 0 494.035 6.625 1 0 in-vitro JKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(C(=O)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059286814 563209042 /nfs/dbraw/zinc/20/90/42/563209042.db2.gz DGFPMIWBNSXYHA-HSZRJFAPSA-N -1 0 476.441 7.096 1 0 JKAFRM Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OC[C@@H]3CC(=O)[O-])ccc1OCc1ccccc1 ZINC000059570144 563209100 /nfs/dbraw/zinc/20/91/00/563209100.db2.gz AVQXKVZGOLJRIA-VWLOTQADSA-N -1 0 494.587 7.079 1 0 JKAFRM CC(C)=CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000014592485 571714737 /nfs/dbraw/zinc/71/47/37/571714737.db2.gz ZMHHQHCAPNQNJR-UHFFFAOYSA-N -1 0 450.792 10.790 1 0 endogenous,in-man JKAFRM C/C1=C/[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c([O-])c4[C@@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000100772893 571817174 /nfs/dbraw/zinc/81/71/74/571817174.db2.gz AGTXIGWLMDUUMQ-CQHBJIQCSA-N -1 0 454.607 6.412 1 0 endogenous,in-man JKAFRM CC1(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@]2(C(=O)[O-])C[C@@H]1O ZINC000100777329 571823815 /nfs/dbraw/zinc/82/38/15/571823815.db2.gz CFKXWTNHIJAFNL-VBEJZOJESA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM C[C@H]1[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC[C@@]1(C)O ZINC000100778528 571828104 /nfs/dbraw/zinc/82/81/04/571828104.db2.gz URJPXMKINYSFCX-OZVHDRGBSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100779394 571830890 /nfs/dbraw/zinc/83/08/90/571830890.db2.gz KQTSQSVDAUIWJH-BFKJYVGSSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000100779510 571831340 /nfs/dbraw/zinc/83/13/40/571831340.db2.gz MUCRYNWJQNHDJH-METXOXRPSA-N -1 0 454.695 7.298 1 0 endogenous,in-man JKAFRM CC(C)C[C@H](c1c([O-])c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@]21C ZINC000100782664 571838197 /nfs/dbraw/zinc/83/81/97/571838197.db2.gz XJNGQIYBMXBCRU-HVGDAEJJSA-N -1 0 472.622 5.718 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])[C@@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100783763 571840672 /nfs/dbraw/zinc/84/06/72/571840672.db2.gz NMCMUIZIKSPDCX-BVYYIBRMSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000257504569 571860087 /nfs/dbraw/zinc/86/00/87/571860087.db2.gz ONSYVBVDURWHGA-IVYIZAKJSA-N -1 0 456.711 7.688 1 0 endogenous,in-man JKAFRM C/C(=C\CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000257504568 571860084 /nfs/dbraw/zinc/86/00/84/571860084.db2.gz ONSYVBVDURWHGA-IGRLJNMPSA-N -1 0 456.711 7.688 1 0 endogenous,in-man JKAFRM CC1=C(C)[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C(=O)[O-])CC1 ZINC000085915289 574416878 /nfs/dbraw/zinc/41/68/78/574416878.db2.gz HKJOHXSLBNLQHF-VJMDIPTKSA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2[C@H]1C ZINC000095619513 574417080 /nfs/dbraw/zinc/41/70/80/574417080.db2.gz DZLAZTJTKXGAGR-NJSJEDEXSA-N -1 0 472.710 6.060 1 0 endogenous,in-man JKAFRM C[C@]12CC[C@H](O)[C@](C)(CO)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])[C@H](O)C[C@]3(C)CC[C@]21C ZINC000095619502 574417083 /nfs/dbraw/zinc/41/70/83/574417083.db2.gz ZXWLSOQCDSAYHO-WCSKOCIXSA-N -1 0 488.709 5.177 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)[C@H](O)C[C@@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2[C@H]1C ZINC000095619514 574417091 /nfs/dbraw/zinc/41/70/91/574417091.db2.gz DZLAZTJTKXGAGR-KSIGIPRTSA-N -1 0 472.710 6.060 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@H]12 ZINC000100778569 574418811 /nfs/dbraw/zinc/41/88/11/574418811.db2.gz WRACWYWAPQQRKC-IHFIXEEMSA-N -1 0 488.709 5.031 1 0 endogenous,in-man JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@H](C)CC[C@@]5(C)CC[C@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000100778646 574418812 /nfs/dbraw/zinc/41/88/12/574418812.db2.gz YJBVHJIKNLBFDX-QEYVYPCBSA-N -1 0 498.748 7.660 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 ZINC000100779172 574418840 /nfs/dbraw/zinc/41/88/40/574418840.db2.gz JXSVIVRDWWRQRT-XYKYHYLTSA-N -1 0 488.709 5.033 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100781603 574418911 /nfs/dbraw/zinc/41/89/11/574418911.db2.gz JPGOJQJBPLCRQP-NFPWGOBFSA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)Cc3ccccc3)c1)C1CC1)CCCCCC2 ZINC000100763837 581101530 /nfs/dbraw/zinc/10/15/30/581101530.db2.gz NTSFRQDTBDVECR-VWLOTQADSA-N -1 0 493.625 5.488 1 0 JKAFRM O=C([O-])COc1ccc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000028822322 581101638 /nfs/dbraw/zinc/10/16/38/581101638.db2.gz IVINVXPMKZERSK-UHFFFAOYSA-N -1 0 488.527 6.529 1 0 JKAFRM C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)nnn1C)c1ccccc1 ZINC000095578045 541108037 /nfs/dbraw/zinc/10/80/37/541108037.db2.gz CTNSCPPHPORJPG-QGZVFWFLSA-N -1 0 456.502 5.086 1 0 JKAFRM C[C@H](OC(=O)Nc1cnoc1-c1ccc(CSCCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903515 541108195 /nfs/dbraw/zinc/10/81/95/541108195.db2.gz BZXVIJFDXYBSIG-AWEZNQCLSA-N -1 0 460.939 6.013 1 0 JKAFRM C[C@H](OC(=O)Nc1conc1-c1ccc(CCSCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903672 541108343 /nfs/dbraw/zinc/10/83/43/541108343.db2.gz CPRHYQZJJSPUOG-AWEZNQCLSA-N -1 0 460.939 5.665 1 0 JKAFRM C[C@H](OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903641 541108562 /nfs/dbraw/zinc/10/85/62/541108562.db2.gz VCTGKBNGUMRKTK-INIZCTEOSA-N -1 0 470.953 6.738 1 0 JKAFRM CC(C)C[C@H]1c2c([O-])c(C=O)c(O)c(C=O)c2O[C@]23CC[C@@]1(C)[C@H]2[C@@H]1[C@H](CC[C@@H]3C)C1(C)C ZINC000070454442 291565123 /nfs/dbraw/zinc/56/51/23/291565123.db2.gz BIAFCXUFUQOOMP-RYUOXGLNSA-N -1 0 454.607 6.102 1 0 biogenic,in-vitro JKAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(OC(C)C)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569442 291565130 /nfs/dbraw/zinc/56/51/30/291565130.db2.gz XGFBAJBZRSOHQT-UHFFFAOYSA-N -1 0 474.553 6.153 1 0 biogenic,in-vitro JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000059589111 291566206 /nfs/dbraw/zinc/56/62/06/291566206.db2.gz XKLPFWHBIRYSNP-VZJYYLGYSA-N -1 0 454.695 7.586 1 0 biogenic,in-vitro JKAFRM CC1(C)CC2=C3C=C[C@H]4[C@@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@]3(C)CC[C@@]2(C(=O)[O-])C[C@H]1O ZINC000095914194 291566212 /nfs/dbraw/zinc/56/62/12/291566212.db2.gz NOLMPTYBPSBINV-RFEXVSFKSA-N -1 0 468.678 6.333 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@@]43C)[C@H]2C1 ZINC000070454314 291567592 /nfs/dbraw/zinc/56/75/92/291567592.db2.gz MDZKJHQSJHYOHJ-KGIZAGGQSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])C[C@@H]1O ZINC000095913409 291569829 /nfs/dbraw/zinc/56/98/29/291569829.db2.gz AMHZZVCMERHTFM-FMMUPTMQSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC[C@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c(-c3ccccc3)cc(=O)oc12 ZINC000015120532 291583893 /nfs/dbraw/zinc/58/38/93/291583893.db2.gz NTNREFYHTKELSQ-ZAQQZEBGSA-N -1 0 474.597 7.335 1 0 biogenic,in-vitro JKAFRM CC[C@H](C)C(=O)c1c([O-])c2c(-c3ccccc3)cc(=O)oc2c2c1O[C@](C)(CCC=C(C)C)C=C2 ZINC000014490526 291583896 /nfs/dbraw/zinc/58/38/96/291583896.db2.gz MONBMSYSHZWTET-WWOZWPLTSA-N -1 0 472.581 7.305 1 0 biogenic,in-vitro JKAFRM COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c(CCc2cccc(Cc3ccccc3)c2)c1=O ZINC000085633008 291587802 /nfs/dbraw/zinc/58/78/02/291587802.db2.gz DCIFSGKPFIHXBQ-UHFFFAOYSA-N -1 0 494.543 5.961 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@H]2[C@]1(C)O ZINC000095914108 291593692 /nfs/dbraw/zinc/59/36/92/291593692.db2.gz FBFIXJZBTJKFHW-WOIQIRNJSA-N -1 0 486.693 5.383 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@H]2[C@]1(C)O ZINC000095919213 291594097 /nfs/dbraw/zinc/59/40/97/291594097.db2.gz JPGOJQJBPLCRQP-IYPCKGIKSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2[C@H]1C ZINC000085643663 291595191 /nfs/dbraw/zinc/59/51/91/291595191.db2.gz WCGUUGGRBIKTOS-ATKMEVJESA-N -1 0 456.711 7.090 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@@]2(O)OC[C@@]13CC[C@@H]1[C@@](C)(CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]14C)[C@@H]3C[C@H]2O ZINC000070455291 291594848 /nfs/dbraw/zinc/59/48/48/291594848.db2.gz JPAXVSRGFJVPEU-MEAPXQAESA-N -1 0 488.709 5.622 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(O)(O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000070457368 291594851 /nfs/dbraw/zinc/59/48/51/291594851.db2.gz UFZSVRHJYZOFCS-BAIBMYATSA-N -1 0 488.709 5.380 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@@]2(O)OC[C@@]13CC[C@@H]1[C@@](C)(CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]14C)[C@@H]3CC2=O ZINC000070455284 291598311 /nfs/dbraw/zinc/59/83/11/291598311.db2.gz IDWSINSLFUFGJH-SMUGJBJTSA-N -1 0 486.693 5.831 1 0 biogenic,in-vitro JKAFRM O=C(CCc1ccccc1)c1c([O-])c(Cc2ccccc2O)c(O)c2c1Oc1ccccc1C2 ZINC000014558323 291601629 /nfs/dbraw/zinc/60/16/29/291601629.db2.gz VBENIJLFKRPAAF-UHFFFAOYSA-N -1 0 452.506 5.906 1 0 biogenic,in-vitro JKAFRM O=C([O-])CC/C=C/C[C@H](CCCCCC[C@@H]1C=CCC1)C1(c2ccc(O)cc2)CCCCC1 ZINC000085489277 291602984 /nfs/dbraw/zinc/60/29/84/291602984.db2.gz VVRDPBOLYYIZNK-HMJHPXKUSA-N -1 0 452.679 8.328 1 0 biogenic,in-vitro JKAFRM C[C@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1C[C@@]21C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000071405186 524892639 /nfs/dbraw/zinc/89/26/39/524892639.db2.gz SPJVHAQEQMRTBO-HYWJWOFASA-N -1 0 472.372 5.510 2 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@@H]1O ZINC000070457470 560047009 /nfs/dbraw/zinc/04/70/09/560047009.db2.gz KFALHTDSQSJCFC-RVVAXNKDSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(CO)CC[C@]3(C(=O)[O-])CC[C@]21C ZINC000070455301 560047342 /nfs/dbraw/zinc/04/73/42/560047342.db2.gz CZSDKFJKOMHDAG-BYZZUIGYSA-N -1 0 470.694 6.414 1 0 biogenic,in-vitro JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)[O-])C[C@H](O)[C@]3(C)CC[C@]21C ZINC000070455305 560047356 /nfs/dbraw/zinc/04/73/56/560047356.db2.gz RUJQEBHXYLCSKV-JEZIEIOHSA-N -1 0 470.694 6.413 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@@H]1O ZINC000070451075 560048862 /nfs/dbraw/zinc/04/88/62/560048862.db2.gz XJMYUPJDAFKICJ-WBLRNPPGSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@H]5CC[C@@]4(C)CC3=CC[C@@H]12 ZINC000095913378 560056731 /nfs/dbraw/zinc/05/67/31/560056731.db2.gz RGIWJHUJDHZDIN-DMHKELBMSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM C[C@@]1(C(=O)[O-])CC[C@]2(C)C(=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095911757 560057890 /nfs/dbraw/zinc/05/78/90/560057890.db2.gz JLSMRQKPAPRPMB-AQOXXNDVSA-N -1 0 486.693 5.385 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095910157 560059144 /nfs/dbraw/zinc/05/91/44/560059144.db2.gz FABOBEOYNMHSHB-BORRFFTDSA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000085541371 560071562 /nfs/dbraw/zinc/07/15/62/560071562.db2.gz OXVUXGFZHDKYLS-MDJOCESQSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM CC1(C)C=C2[C@@H]3CC[C@H]4[C@@](C)(CC[C@@H]5C(C)(C)[C@H](O)CC[C@@]45C)[C@@]3(C)CC[C@@]2(C(=O)[O-])CC1 ZINC000085530907 560073401 /nfs/dbraw/zinc/07/34/01/560073401.db2.gz RGZSSKBTFGNUCG-OWPZDIHTSA-N -1 0 456.711 7.234 1 0 biogenic,in-vitro JKAFRM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CCC2(O)CCCCC2)[C@H](O)C1 ZINC000085492826 560075084 /nfs/dbraw/zinc/07/50/84/560075084.db2.gz CKMRJBSUHDLNRS-NHTNDUFYSA-N -1 0 452.676 5.608 1 0 biogenic,in-vitro JKAFRM CCCCC[C@H](O)/C=C/C(=C/CCCCCC1(CC(=O)[O-])CCCC1)Cc1cccc(O)c1 ZINC000085490965 560075308 /nfs/dbraw/zinc/07/53/08/560075308.db2.gz RRCMQOSTMHFKPZ-LXDIMPFBSA-N -1 0 456.667 7.344 1 0 biogenic,in-vitro JKAFRM CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@H]1C ZINC000059586458 560082626 /nfs/dbraw/zinc/08/26/26/560082626.db2.gz HHTRBFQBAMTIOP-SACNOUSYSA-N -1 0 470.694 6.125 1 0 biogenic,in-vitro JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000059586546 560082958 /nfs/dbraw/zinc/08/29/58/560082958.db2.gz LNNTYNWJFLIALA-VZJYYLGYSA-N -1 0 452.679 7.362 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000013336508 560214663 /nfs/dbraw/zinc/21/46/63/560214663.db2.gz MDZKJHQSJHYOHJ-QFRAMATMSA-N -1 0 472.710 6.204 1 0 in-vitro JKAFRM CC(C)=CCC/C(C)=C/Cc1c(=O)c2c(O)cc([O-])c(CC=C(C)C)c2oc1-c1ccc(O)cc1O ZINC000013373200 560215270 /nfs/dbraw/zinc/21/52/70/560215270.db2.gz JIYLDFRPPGXCML-VXLYETTFSA-N -1 0 490.596 7.026 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000014980299 560228104 /nfs/dbraw/zinc/22/81/04/560228104.db2.gz MUCRYNWJQNHDJH-SOTNDVSJSA-N -1 0 454.695 7.298 1 0 biogenic,in-vitro JKAFRM Cc1oc(-c2cccc(Br)c2)nc1CCOc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000000594189 562918200 /nfs/dbraw/zinc/91/82/00/562918200.db2.gz IFBNBNQZLAZEHD-UHFFFAOYSA-N -1 0 460.324 5.276 1 0 JKAFRM O=C([O-])COc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000000834488 562919207 /nfs/dbraw/zinc/91/92/07/562919207.db2.gz KFGJZDUFGYYUAX-UHFFFAOYSA-N -1 0 454.507 6.263 1 0 JKAFRM CN(CCOc1ccc(C[C@@H](CCCc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000001541443 562920909 /nfs/dbraw/zinc/92/09/09/562920909.db2.gz YZJWHPTXUMAQHW-HSZRJFAPSA-N -1 0 458.558 5.609 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@H](C(=O)[O-])c1ccccc1C ZINC000001545012 562920936 /nfs/dbraw/zinc/92/09/36/562920936.db2.gz SZDCHUGPQOSQTF-MHZLTWQESA-N -1 0 471.601 6.124 1 0 JKAFRM CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(S(=O)(=O)[O-])c-2cc1 ZINC000001548168 562921135 /nfs/dbraw/zinc/92/11/35/562921135.db2.gz ONMQCKPUEFDWIX-UHFFFAOYSA-N -1 0 496.050 5.116 1 0 JKAFRM CCCCc1nn(-c2ccccc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001554899 562921410 /nfs/dbraw/zinc/92/14/10/562921410.db2.gz XVYBSTMVIVLXAO-UHFFFAOYSA-N -1 0 478.556 5.351 1 0 JKAFRM Cc1c(N2CCc3c2cccc3-c2cccc(C(F)(F)F)c2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000001890890 562924025 /nfs/dbraw/zinc/92/40/25/562924025.db2.gz IJHIEQLPMGXJDM-UHFFFAOYSA-N -1 0 466.434 6.761 1 0 JKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1 ZINC000001910883 562924199 /nfs/dbraw/zinc/92/41/99/562924199.db2.gz LNHVXGYUBBGCLW-AREMUKBSSA-N -1 0 468.933 6.149 1 0 JKAFRM O=C([O-])C[S@@](=O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001914967 562924256 /nfs/dbraw/zinc/92/42/56/562924256.db2.gz OBCBELVPKZPITC-PGUFJCEWSA-N -1 0 486.637 6.278 1 0 JKAFRM O=C([O-])c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2Cc2ccccc2O3)cc1 ZINC000002713392 562925855 /nfs/dbraw/zinc/92/58/55/562925855.db2.gz KZLVQBYYNLIBBO-UHFFFAOYSA-N -1 0 469.522 5.269 3 0 JKAFRM CCCC(CCC)n1ccc2cc(/C(=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])CC)ccc21 ZINC000003784017 562927913 /nfs/dbraw/zinc/92/79/13/562927913.db2.gz ZHSMCKXYPHEUSQ-QURGRASLSA-N -1 0 490.644 7.458 1 0 JKAFRM CC(C)(Oc1ccc(Br)cc1)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1 ZINC000003796206 562928284 /nfs/dbraw/zinc/92/82/84/562928284.db2.gz HCFZUTSDEMKXQB-QSUIMUHQSA-N -1 0 490.394 5.543 1 0 in-vitro JKAFRM O=C([O-])[C@H]1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000003796579 562928307 /nfs/dbraw/zinc/92/83/07/562928307.db2.gz DQQVSOQULBELQB-MUUNZHRXSA-N -1 0 461.561 5.447 1 0 JKAFRM O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1Sc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000003817167 562928957 /nfs/dbraw/zinc/92/89/57/562928957.db2.gz QKYPFBUZQDJQHX-NWVWQQAFSA-N -1 0 492.000 5.384 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000003817160 562928958 /nfs/dbraw/zinc/92/89/58/562928958.db2.gz ZNLPWBJCSSSCCR-RUZDIDTESA-N -1 0 477.582 6.303 1 0 in-vitro JKAFRM O=C([O-])c1cc(Cl)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12 ZINC000003828414 562929503 /nfs/dbraw/zinc/92/95/03/562929503.db2.gz QIXHHLGHDFQCBP-CSKARUKUSA-N -1 0 453.881 6.530 1 0 JKAFRM O=C([O-])Cc1nc(-c2ccc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3Cl)o2)cs1 ZINC000003938337 562930235 /nfs/dbraw/zinc/93/02/35/562930235.db2.gz XSRZFGPWBAVYOB-IZZDOVSWSA-N -1 0 464.930 6.003 1 0 JKAFRM Cc1cnc(-c2ccc(C(C)C)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000003961820 562931068 /nfs/dbraw/zinc/93/10/68/562931068.db2.gz VAXBUDASTPYURF-DEOSSOPVSA-N -1 0 473.617 5.985 1 0 JKAFRM CCCc1cc(C2CCC(C)(C)CC2)ccc1OCCCOc1cccc([C@@H]2OC(=O)[N-]C2=O)c1 ZINC000003972006 562931191 /nfs/dbraw/zinc/93/11/91/562931191.db2.gz FROPLQNRWKTHEE-SANMLTNESA-N -1 0 479.617 6.478 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)NCCC(=O)[O-])c(Cl)c1Cl ZINC000003965937 562931199 /nfs/dbraw/zinc/93/11/99/562931199.db2.gz UAGCAOFGPDUCEN-JKSUJKDBSA-N -1 0 452.403 5.962 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)c1cccnc1Cl ZINC000003981541 562931469 /nfs/dbraw/zinc/93/14/69/562931469.db2.gz CDSKYCWTQPDDMJ-ODLFYWEKSA-N -1 0 477.731 5.476 1 0 JKAFRM C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CC(C)C)oc3C)ccc2C[C@H]1C(=O)[O-] ZINC000003990563 562931668 /nfs/dbraw/zinc/93/16/68/562931668.db2.gz ZWYXTBVYHSYSMK-RLKIWDJXSA-N -1 0 478.589 5.134 1 0 JKAFRM CC[C@@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c([C@H](O)CC)cc(=O)oc12 ZINC000005766158 562934796 /nfs/dbraw/zinc/93/47/96/562934796.db2.gz PVNISOOZUQFLJH-OKBDBCGNSA-N -1 0 456.579 6.112 1 0 JKAFRM CC[C@@H](O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c12 ZINC000005766160 562934798 /nfs/dbraw/zinc/93/47/98/562934798.db2.gz PVNISOOZUQFLJH-VJTMMXLYSA-N -1 0 456.579 6.112 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C5=CC[C@]43C)[C@@H]2C1 ZINC000005923011 562935743 /nfs/dbraw/zinc/93/57/43/562935743.db2.gz FJGGNIPUSLFYJJ-QJTVMKANSA-N -1 0 486.693 5.097 1 0 JKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008022170 562938739 /nfs/dbraw/zinc/93/87/39/562938739.db2.gz MUGRIRJNICRSPF-AREMUKBSSA-N -1 0 492.616 5.713 3 0 JKAFRM O=C([O-])C[S@](=O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000008553773 562939637 /nfs/dbraw/zinc/93/96/37/562939637.db2.gz OBCBELVPKZPITC-DHUJRADRSA-N -1 0 486.637 6.278 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)C[C@H](O)[C@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]2C1 ZINC000008681625 562951241 /nfs/dbraw/zinc/95/12/41/562951241.db2.gz KLHSKTMVSOWVLD-LLUAOXPXSA-N -1 0 472.710 6.204 1 0 JKAFRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2cccc(C)c2)ccc1N1CCCCC1 ZINC000008686807 562952945 /nfs/dbraw/zinc/95/29/45/562952945.db2.gz RKMJGHRANJOKPQ-UHFFFAOYSA-N -1 0 494.617 5.439 3 0 JKAFRM C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)[O-] ZINC000008829451 562955014 /nfs/dbraw/zinc/95/50/14/562955014.db2.gz KDCSSVADTHDYGI-GOEVOFJGSA-N -1 0 454.695 7.752 3 0 JKAFRM O=C([O-])Cn1cc(Cc2nc3c(s2)c(F)cc(F)c3F)c2cccc(Br)c21 ZINC000011536223 562957382 /nfs/dbraw/zinc/95/73/82/562957382.db2.gz GUQBGRCBXABIBJ-UHFFFAOYSA-N -1 0 455.255 5.106 1 0 JKAFRM O=C([O-])Cn1c2ccccc2c(Cc2nc3c(s2)c(F)cc(F)c3F)c1-c1ccccc1 ZINC000011536231 562957365 /nfs/dbraw/zinc/95/73/65/562957365.db2.gz NSCSREDUSXKQTH-UHFFFAOYSA-N -1 0 452.457 6.011 1 0 JKAFRM O=C([O-])Cn1cc(Cc2nc3c(s2)c(F)cc(F)c3F)c2cc(OCc3ccccc3)ccc21 ZINC000011536156 562957376 /nfs/dbraw/zinc/95/73/76/562957376.db2.gz VVWULALTONIGFQ-UHFFFAOYSA-N -1 0 482.483 5.923 1 0 JKAFRM CCO[C@H](Cc1ccc(OCCCN2c3ccccc3OCOc3ccccc32)cc1)C(=O)[O-] ZINC000012358187 562959493 /nfs/dbraw/zinc/95/94/93/562959493.db2.gz KSBOHRFABLKVLA-AREMUKBSSA-N -1 0 463.530 5.055 1 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000012358212 562959495 /nfs/dbraw/zinc/95/94/95/562959495.db2.gz IILKLIPGEXMTPN-CJFFBLHWSA-N -1 0 478.588 6.897 1 0 JKAFRM CCO[C@H](Cc1ccc(OCC[C@@H]2Sc3ccccc3Oc3ccccc32)cc1)C(=O)[O-] ZINC000012358179 562959513 /nfs/dbraw/zinc/95/95/13/562959513.db2.gz TUADPXVZIXAGBG-RPWUZVMVSA-N -1 0 450.556 6.127 1 0 JKAFRM CCO[C@H](Cc1ccc(OCC[C@H]2Sc3ccccc3Oc3ccccc32)cc1)C(=O)[O-] ZINC000012358181 562959533 /nfs/dbraw/zinc/95/95/33/562959533.db2.gz TUADPXVZIXAGBG-DNQXCXABSA-N -1 0 450.556 6.127 1 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000012358214 562959535 /nfs/dbraw/zinc/95/95/35/562959535.db2.gz CJGRPCBFIYJMOR-WWNGRIQCSA-N -1 0 481.386 5.992 1 0 JKAFRM Cc1oc(-c2ccc(Br)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000012358171 562959540 /nfs/dbraw/zinc/95/95/40/562959540.db2.gz YJHYSUSIHLLMIF-UHFFFAOYSA-N -1 0 460.324 5.276 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1C ZINC000012358269 562959593 /nfs/dbraw/zinc/95/95/93/562959593.db2.gz KFPCSSYOIZOXRC-SANMLTNESA-N -1 0 491.609 6.612 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccc(CCCC(=O)[O-])cc1 ZINC000012358256 562959621 /nfs/dbraw/zinc/95/96/21/562959621.db2.gz YVXIYVAUZBEBGH-UHFFFAOYSA-N -1 0 473.569 6.703 1 0 JKAFRM O=C([O-])Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000012358461 562959728 /nfs/dbraw/zinc/95/97/28/562959728.db2.gz CKLZFYZTVMCVJM-QHCPKHFHSA-N -1 0 485.458 5.096 1 0 JKAFRM CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358510 562959777 /nfs/dbraw/zinc/95/97/77/562959777.db2.gz UJHOOSFHNXHHKX-SANMLTNESA-N -1 0 481.658 6.634 1 0 JKAFRM CCCc1cc(C2CCC(F)(F)CC2)ccc1OCCCOc1cccc([C@H]2OC(=O)[N-]C2=O)c1 ZINC000012358519 562959804 /nfs/dbraw/zinc/95/98/04/562959804.db2.gz NSYZQVZYLLYVJH-XMMPIXPASA-N -1 0 487.543 6.087 1 0 JKAFRM CCCc1cc2c(oc(=O)n2C(C)C)c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358592 562959870 /nfs/dbraw/zinc/95/98/70/562959870.db2.gz CMBADTBQKXKEOM-DEOSSOPVSA-N -1 0 453.579 6.409 1 0 JKAFRM CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3C[C@](C)(CO)CC[C@]3(C(=O)[O-])CC[C@]21C ZINC000012726002 562960813 /nfs/dbraw/zinc/96/08/13/562960813.db2.gz CZWBKSDPBWNHGO-JBEPVKSHSA-N -1 0 472.710 6.206 3 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@@H](CC=C4[C@@H]5C[C@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000012726000 562960816 /nfs/dbraw/zinc/96/08/16/562960816.db2.gz CZWBKSDPBWNHGO-KDKPKVLESA-N -1 0 472.710 6.206 3 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@@H](CC=C4[C@@H]5C[C@@](C)(CO)[C@@H](O)C[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000012726388 562960821 /nfs/dbraw/zinc/96/08/21/562960821.db2.gz QXFJACMLXSJEMH-FTZIWTGGSA-N -1 0 488.709 5.177 3 0 JKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)NC(=O)N1CCCCCC(=O)[O-] ZINC000013125819 562961467 /nfs/dbraw/zinc/96/14/67/562961467.db2.gz YPOWTXORXMRVDL-HSZRJFAPSA-N -1 0 470.953 5.069 3 0 JKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(Cl)cc3c2O)cc1 ZINC000013440351 562963006 /nfs/dbraw/zinc/96/30/06/562963006.db2.gz PRWWKHCRGPNWHZ-UHFFFAOYSA-N -1 0 472.925 5.356 1 0 JKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000013445222 562964058 /nfs/dbraw/zinc/96/40/58/562964058.db2.gz JNPCMAKJVRHHBF-NRFANRHFSA-N -1 0 458.341 5.024 1 0 JKAFRM O=C([O-])CCCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448452 562964437 /nfs/dbraw/zinc/96/44/37/562964437.db2.gz LSGPJFPPZFTYHC-UHFFFAOYSA-N -1 0 480.652 8.480 1 0 JKAFRM O=C([O-])[C@H]1C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455293 562964982 /nfs/dbraw/zinc/96/49/82/562964982.db2.gz OVXZGHSODDZLJH-VQTJNVASSA-N -1 0 455.341 5.252 1 0 JKAFRM COc1ccccc1Sc1cc(Cl)c(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000013470579 562965411 /nfs/dbraw/zinc/96/54/11/562965411.db2.gz DSJXTYACXIVDIZ-VOTSOKGWSA-N -1 0 466.386 5.490 1 0 JKAFRM O=C(CCc1ccc(C(=O)[O-])cc1)COc1ccc(SCCCCCc2ccccc2)cc1 ZINC000013472826 562966092 /nfs/dbraw/zinc/96/60/92/562966092.db2.gz XGJXPBFFXMCSKN-UHFFFAOYSA-N -1 0 462.611 6.471 1 0 JKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1ccccc1OC)O2 ZINC000013473420 562966198 /nfs/dbraw/zinc/96/61/98/562966198.db2.gz XETRVUQLKYUODP-HHHXNRCGSA-N -1 0 474.509 5.623 1 0 JKAFRM CC(C)Oc1ccc2c(c1)C(c1ccc(C(C)C)cc1)=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2 ZINC000013473485 562966275 /nfs/dbraw/zinc/96/62/75/562966275.db2.gz DHXRTGCTWBJWLL-NDEPHWFRSA-N -1 0 472.537 6.346 1 0 JKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1Cl ZINC000013489820 562968958 /nfs/dbraw/zinc/96/89/58/562968958.db2.gz KBNNPXYGOKKTQE-UHFFFAOYSA-N -1 0 482.207 6.711 1 0 JKAFRM CCCc1cc(Oc2ccc(C)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000013489934 562969088 /nfs/dbraw/zinc/96/90/88/562969088.db2.gz QFWDTTPJNPLQRE-SANMLTNESA-N -1 0 491.609 6.612 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(Nc3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521247 562970892 /nfs/dbraw/zinc/97/08/92/562970892.db2.gz IGTJPHWZFBUZCI-KPALQMBUSA-N -1 0 468.619 5.324 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521188 562970903 /nfs/dbraw/zinc/97/09/03/562970903.db2.gz NKFFKDVJGSLYGD-QIXBOIAMSA-N -1 0 453.604 5.248 1 0 JKAFRM COc1ccc2oc3ccc(S(=O)(=O)N[C@@H]4[C@@H]5CC[C@@H](C5)[C@H]4C/C=C\CCCC(=O)[O-])cc3c2c1 ZINC000013521325 562970948 /nfs/dbraw/zinc/97/09/48/562970948.db2.gz XKLYJZOEPVSDDA-VYJGWKFRSA-N -1 0 497.613 5.489 1 0 JKAFRM CC(C)(CC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3oc4ccccc4c3c2)[C@@H]2CC[C@H]1C2)C(=O)[O-] ZINC000013521336 562970966 /nfs/dbraw/zinc/97/09/66/562970966.db2.gz XOHOVAVSSGRIQA-HZQWNKCZSA-N -1 0 495.641 6.116 1 0 JKAFRM O=C([O-])C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2C(F)(F)F)CCC1 ZINC000013534163 562972391 /nfs/dbraw/zinc/97/23/91/562972391.db2.gz NRVYUULCQBIOLP-UHFFFAOYSA-N -1 0 459.342 5.775 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H]([C@@H](O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@@H]1O ZINC000013545510 562973059 /nfs/dbraw/zinc/97/30/59/562973059.db2.gz WTYUUMRZSINYLI-VYLFZDFCSA-N -1 0 472.710 6.204 3 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H](O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@@H]1O ZINC000013545508 562973094 /nfs/dbraw/zinc/97/30/94/562973094.db2.gz WTYUUMRZSINYLI-PJPWHEBGSA-N -1 0 472.710 6.204 3 0 JKAFRM CCCc1cc(C2CCC(=O)CC2)ccc1OCCCOc1cccc([C@H]2OC(=O)[N-]C2=O)c1 ZINC000013553669 562973417 /nfs/dbraw/zinc/97/34/17/562973417.db2.gz HXGDAZUUMWWNJY-RUZDIDTESA-N -1 0 465.546 5.021 1 0 JKAFRM CCCc1cc(C2CCC(=O)CC2)ccc1OCCCOc1cccc([C@@H]2OC(=O)[N-]C2=O)c1 ZINC000013553668 562973434 /nfs/dbraw/zinc/97/34/34/562973434.db2.gz HXGDAZUUMWWNJY-VWLOTQADSA-N -1 0 465.546 5.021 1 0 JKAFRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(/C=C/c4cccc(C(F)(F)F)c4)cccc3c2)cc1 ZINC000013560096 562975238 /nfs/dbraw/zinc/97/52/38/562975238.db2.gz UCWOIKLFXNCPMM-BQYQJAHWSA-N -1 0 461.439 6.980 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(OC)c2C(=O)[O-])cc1 ZINC000013560848 562975381 /nfs/dbraw/zinc/97/53/81/562975381.db2.gz MWXBPNDPMNZJEQ-UHFFFAOYSA-N -1 0 466.541 5.581 1 0 JKAFRM CCCNc1nc2ccccc2c(-c2ccc(Cn3c(CC)nc4c3nc(C)cc4C)cc2)c1C(=O)[O-] ZINC000013560852 562975440 /nfs/dbraw/zinc/97/54/40/562975440.db2.gz FAXQYAWLPSPPSM-UHFFFAOYSA-N -1 0 493.611 6.394 1 0 JKAFRM CC(C)(C)c1ccc(Cn2cc(C(=O)C(=O)[O-])c3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cc1 ZINC000013580618 562975736 /nfs/dbraw/zinc/97/57/36/562975736.db2.gz BFJZNWKPOQNATN-UHFFFAOYSA-N -1 0 495.497 6.820 1 0 JKAFRM CC(C)(C)c1ccc(Cn2cc(C(=O)C(=O)[O-])c3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)cc1 ZINC000013580614 562975739 /nfs/dbraw/zinc/97/57/39/562975739.db2.gz NLVNELUZVSSGAO-UHFFFAOYSA-N -1 0 495.497 6.820 1 0 JKAFRM COc1ccc2c(c1)c(Cc1ccc(C(=O)[O-])cc1OC)cn2C(c1ccccc1)c1ccccc1 ZINC000013588150 562977455 /nfs/dbraw/zinc/97/74/55/562977455.db2.gz UYAQBZKZSJSUQQ-UHFFFAOYSA-N -1 0 477.560 6.585 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12 ZINC000013588149 562977461 /nfs/dbraw/zinc/97/74/61/562977461.db2.gz CPTWVLAYVCBVHT-UHFFFAOYSA-N -1 0 461.561 6.885 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2cccc(Cl)c12 ZINC000013588152 562977463 /nfs/dbraw/zinc/97/74/63/562977463.db2.gz QBFXVOXOZJFKIS-UHFFFAOYSA-N -1 0 481.979 7.230 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12 ZINC000013588147 562977466 /nfs/dbraw/zinc/97/74/66/562977466.db2.gz UMSGFRIPAMHGFC-UHFFFAOYSA-N -1 0 481.979 7.230 1 0 JKAFRM O=C1NCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000013588791 562977735 /nfs/dbraw/zinc/97/77/35/562977735.db2.gz YKJQSWZBPMGFKP-UHFFFAOYSA-N -1 0 482.776 5.809 1 0 JKAFRM O=C([O-])C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(Cl)cc3)c2)c(Cl)c1 ZINC000013602443 562978482 /nfs/dbraw/zinc/97/84/82/562978482.db2.gz ZGGVWYRGZAGLQW-UHFFFAOYSA-N -1 0 466.704 5.759 1 0 JKAFRM O=C(Nc1ccc(Cl)cc1Cl)C1=C([O-])N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc21 ZINC000013605548 562978747 /nfs/dbraw/zinc/97/87/47/562978747.db2.gz ODIQFRNWUFMSEX-UHFFFAOYSA-N -1 0 493.343 5.202 1 0 JKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C(/C(=O)NCCc1ccccc1)c1ccccc1 ZINC000013609255 562979128 /nfs/dbraw/zinc/97/91/28/562979128.db2.gz RNTMJYGGFKSIKJ-XDJHFCHBSA-N -1 0 479.363 6.072 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C2CCCC2)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000013650714 562981206 /nfs/dbraw/zinc/98/12/06/562981206.db2.gz TZUYQVOOCRFQSD-UHFFFAOYSA-N -1 0 476.573 6.545 1 0 JKAFRM CC(C)[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671830 562982525 /nfs/dbraw/zinc/98/25/25/562982525.db2.gz WGTAXHBXOPSDFG-OAQYLSRUSA-N -1 0 474.859 5.501 1 0 JKAFRM CC[C@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(SC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671850 562982603 /nfs/dbraw/zinc/98/26/03/562982603.db2.gz WHWPVAADIVXXOH-HXUWFJFHSA-N -1 0 476.900 5.968 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2nc(-c3ccccc3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674686 562983025 /nfs/dbraw/zinc/98/30/25/562983025.db2.gz YNIDWYLBKQOAHI-UHFFFAOYSA-N -1 0 469.585 6.176 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2nc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1 ZINC000013674677 562983053 /nfs/dbraw/zinc/98/30/53/562983053.db2.gz SSZISSZLYNGXCI-UHFFFAOYSA-N -1 0 467.569 6.693 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OC[C@@H](C)COc1cccc2c1ccn2CC(=O)[O-] ZINC000013677972 562983650 /nfs/dbraw/zinc/98/36/50/562983650.db2.gz NXPYXUKYEYUULC-HNNXBMFYSA-N -1 0 490.478 5.932 1 0 JKAFRM O=C([O-])c1ccc(OC[C@H](O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1 ZINC000013678378 562983763 /nfs/dbraw/zinc/98/37/63/562983763.db2.gz XJLSMGZHVBMVID-QHCPKHFHSA-N -1 0 466.599 5.709 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013677998 562983767 /nfs/dbraw/zinc/98/37/67/562983767.db2.gz GRIXWELRVVWUAG-UHFFFAOYSA-N -1 0 484.552 6.335 1 0 JKAFRM CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2ccn(CC(=O)[O-])c2c1 ZINC000013681507 562984215 /nfs/dbraw/zinc/98/42/15/562984215.db2.gz CHUOXAKJPAYADI-UHFFFAOYSA-N -1 0 489.543 5.896 1 0 JKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc(C2=C(c3nn[nH]n3)CCCCC2)cc1 ZINC000013725540 562984742 /nfs/dbraw/zinc/98/47/42/562984742.db2.gz UFHFMEKLJOVCPX-UHFFFAOYSA-N -1 0 454.962 5.014 1 0 JKAFRM O=C([O-])COc1cccc(CCc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)o2)c1 ZINC000013727440 562984962 /nfs/dbraw/zinc/98/49/62/562984962.db2.gz XRGLRQYIAXVYSF-UHFFFAOYSA-N -1 0 468.336 6.564 1 0 JKAFRM COc1ccc(-c2nc(CCc3cccc(OCC(=O)[O-])c3)oc2-c2ccc(OC)cc2)cc1 ZINC000013727451 562984969 /nfs/dbraw/zinc/98/49/69/562984969.db2.gz WXGDNRYPQQWKPW-UHFFFAOYSA-N -1 0 459.498 5.274 1 0 JKAFRM CC[C@H](c1ccccc1)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742357 562987330 /nfs/dbraw/zinc/98/73/30/562987330.db2.gz KRSGJOBVWQKUTJ-JEJBUKPGSA-N -1 0 496.607 6.926 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2cccs2)c1-3 ZINC000013742702 562987579 /nfs/dbraw/zinc/98/75/79/562987579.db2.gz XWBFONGIVZJIEN-UHFFFAOYSA-N -1 0 495.688 8.078 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)OCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2cccnc2)c1-3 ZINC000013742704 562987580 /nfs/dbraw/zinc/98/75/80/562987580.db2.gz BNHNWQHFAYFBCJ-UHFFFAOYSA-N -1 0 492.619 7.205 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2ccco2)c1-3 ZINC000013742701 562987583 /nfs/dbraw/zinc/98/75/83/562987583.db2.gz GQMFRJDIGQYFCC-UHFFFAOYSA-N -1 0 479.620 7.609 1 0 JKAFRM CC(C)Oc1cc2c(cc1C(C)C)CCc1c(-c3ccc(C(=O)[O-])cc3)cn(Cc3cccnc3)c1-2 ZINC000013742708 562987585 /nfs/dbraw/zinc/98/75/85/562987585.db2.gz HYONGUJADYPJRF-UHFFFAOYSA-N -1 0 480.608 6.973 1 0 JKAFRM Cc1cccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)c1 ZINC000013744980 562987894 /nfs/dbraw/zinc/98/78/94/562987894.db2.gz PDXABVTZQPAMBI-RUZDIDTESA-N -1 0 493.625 5.656 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NS(=O)(=O)N=C([O-])NC(c1ccccc1)c1ccccc1 ZINC000013747433 562988343 /nfs/dbraw/zinc/98/83/43/562988343.db2.gz WCPOOEPYHBKGHF-UHFFFAOYSA-N -1 0 465.619 5.679 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)NC1c2ccccc2-c2ccccc21 ZINC000013747419 562988363 /nfs/dbraw/zinc/98/83/63/562988363.db2.gz CXDMQOFZAICLGC-UHFFFAOYSA-N -1 0 463.603 5.659 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cc(O)cc1C(C)C ZINC000013747597 562988444 /nfs/dbraw/zinc/98/84/44/562988444.db2.gz PYMHVKIHFBNRCC-UHFFFAOYSA-N -1 0 477.623 6.298 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000013747468 562988446 /nfs/dbraw/zinc/98/84/46/562988446.db2.gz AQXJZUWFGPRCMW-UHFFFAOYSA-N -1 0 466.603 5.646 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Oc1c(C(C)C)cc(Cl)cc1C(C)C ZINC000013747564 562988451 /nfs/dbraw/zinc/98/84/51/562988451.db2.gz GNQSPAFTDACZME-UHFFFAOYSA-N -1 0 496.069 7.246 1 0 JKAFRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000013747487 562988471 /nfs/dbraw/zinc/98/84/71/562988471.db2.gz XAWFXPQSFJZXGZ-UHFFFAOYSA-N -1 0 454.677 5.825 1 0 JKAFRM CCCS(=O)(=O)Nc1cccc([C@@H](c2c([O-])cc([C@H](CC)Cc3ccccc3)oc2=O)C2CC2)c1 ZINC000013756574 562988701 /nfs/dbraw/zinc/98/87/01/562988701.db2.gz GTGPHAUFYVHIIY-IBVKSMDESA-N -1 0 495.641 5.775 1 0 JKAFRM CC/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12)C(=O)[O-] ZINC000013758662 562989016 /nfs/dbraw/zinc/98/90/16/562989016.db2.gz MYJPHTSXARMVLO-XIEYBQDHSA-N -1 0 496.607 5.799 1 0 JKAFRM C/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)C(=O)[O-] ZINC000013758684 562989024 /nfs/dbraw/zinc/98/90/24/562989024.db2.gz RFJFLHCAYDTCSF-RELWKKBWSA-N -1 0 482.580 5.409 1 0 JKAFRM O=C([O-])CCCOc1ccccc1NC(=O)/C=C/c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000013760641 562989508 /nfs/dbraw/zinc/98/95/08/562989508.db2.gz UVUCJOJMDMNLTP-FYWRMAATSA-N -1 0 454.526 5.585 1 0 JKAFRM CCCCn1nc(-c2ccccc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013760995 562989631 /nfs/dbraw/zinc/98/96/31/562989631.db2.gz INULQDWNXLHBJE-UHFFFAOYSA-N -1 0 478.556 5.486 1 0 JKAFRM COCCOCOc1ccc(Cc2cccc(-c3c([O-])c4ccc(Cl)cc4[nH]c3=O)c2)cc1 ZINC000013775727 562990798 /nfs/dbraw/zinc/99/07/98/562990798.db2.gz KCPGVVWDVXRNMS-UHFFFAOYSA-N -1 0 465.933 5.144 1 0 JKAFRM CN1c2cc3c(cc2N=C(c2ccc(C(=O)[O-])cc2)c2ccc4ccccc4c21)C(C)(C)CCC3(C)C ZINC000013775908 562990819 /nfs/dbraw/zinc/99/08/19/562990819.db2.gz WJVKVKNDLOYKSA-UHFFFAOYSA-N -1 0 488.631 8.137 1 0 JKAFRM COc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000013799599 562993743 /nfs/dbraw/zinc/99/37/43/562993743.db2.gz NPLNAUBFRRXHRY-HHHXNRCGSA-N -1 0 498.579 5.137 1 0 JKAFRM C[C@@H](C(=O)NCCCCC(=O)[O-])c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804873 562994994 /nfs/dbraw/zinc/99/49/94/562994994.db2.gz RXEFJFKKBMEKRK-LJQANCHMSA-N -1 0 456.542 5.442 1 0 JKAFRM O=C([O-])c1ccc(OC[C@@H](O)COc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000013804839 562995013 /nfs/dbraw/zinc/99/50/13/562995013.db2.gz GMGYTTABKFIEJQ-RUZDIDTESA-N -1 0 495.531 5.484 1 0 JKAFRM O=C([O-])c1ccc(CCCCOc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000013804842 562995054 /nfs/dbraw/zinc/99/50/54/562995054.db2.gz JIIDDHRHKUIWRC-UHFFFAOYSA-N -1 0 477.560 7.067 1 0 JKAFRM CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@@H](C(=O)[O-])c3ccccc3)cc2)cc1 ZINC000013806765 562995234 /nfs/dbraw/zinc/99/52/34/562995234.db2.gz ZXJZWEZPPFZNNL-WJOKGBTCSA-N -1 0 492.640 8.783 1 0 JKAFRM CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(O[C@@H](Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000013806748 562995280 /nfs/dbraw/zinc/99/52/80/562995280.db2.gz ICVRBTXDPNIJMU-HKBQPEDESA-N -1 0 490.599 8.184 1 0 JKAFRM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3cccc(Cl)c3)C[C@H]2C)c1 ZINC000013810617 562995747 /nfs/dbraw/zinc/99/57/47/562995747.db2.gz YNLOIEYNDIOPKK-GOSISDBHSA-N -1 0 463.965 5.314 1 0 JKAFRM CCCSc1nnc(-c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825593 562998287 /nfs/dbraw/zinc/99/82/87/562998287.db2.gz GAZKVCNJQNIAJF-UHFFFAOYSA-N -1 0 472.570 5.446 1 0 JKAFRM CC(C)c1cc(S(=O)(=O)NCCc2ccc(OCC(=O)[O-])cc2)c2ccc(C(C)C)ccc1-2 ZINC000013826243 562998448 /nfs/dbraw/zinc/99/84/48/562998448.db2.gz YTWHOMONEMAZLX-UHFFFAOYSA-N -1 0 469.603 5.023 1 0 JKAFRM CCCSc1nnc(Cc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825599 562998450 /nfs/dbraw/zinc/99/84/50/562998450.db2.gz FKVSAFVBRJTDFF-UHFFFAOYSA-N -1 0 486.597 5.370 1 0 JKAFRM CC(C)c1ccc2c(CC/C=C/CCNS(=O)(=O)c3ccccc3)cc(C(=O)[O-])c-2cc1 ZINC000013826309 562998517 /nfs/dbraw/zinc/99/85/17/562998517.db2.gz UIMNNFAOYFSGFZ-ONEGZZNKSA-N -1 0 451.588 5.470 1 0 JKAFRM O=C(Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2)c1cc(Cl)cc(Cl)c1 ZINC000013830473 562999239 /nfs/dbraw/zinc/99/92/39/562999239.db2.gz AYSGADRWJBYRMA-UHFFFAOYSA-N -1 0 460.700 6.378 1 0 JKAFRM CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(-c2ccccc2)cc1C(=O)[O-] ZINC000013832837 563000024 /nfs/dbraw/zinc/00/00/24/563000024.db2.gz FUHFNXZUWBHTDX-UHFFFAOYSA-N -1 0 490.567 5.711 1 0 JKAFRM CCCCC1=NC2(C(=O)N1Cc1ccc(-c3ccccc3C(=O)[O-])cc1)C1CC3CC(C1)CC2C3 ZINC000013833570 563000579 /nfs/dbraw/zinc/00/05/79/563000579.db2.gz YJXRQZXHENDQFG-UHFFFAOYSA-N -1 0 470.613 6.178 1 0 JKAFRM CCCCc1nc(-c2ccccc2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013833908 563000674 /nfs/dbraw/zinc/00/06/74/563000674.db2.gz KWTSZSMLCLDCIV-UHFFFAOYSA-N -1 0 478.556 5.486 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)o2)c2ccccc2)c1 ZINC000013834160 563000832 /nfs/dbraw/zinc/00/08/32/563000832.db2.gz MJEBYHBHBXYDDJ-HHHXNRCGSA-N -1 0 475.544 6.847 1 0 JKAFRM c1nc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c(-c2cccc(OCc3nnn[n-]3)c2)o1 ZINC000013834184 563000851 /nfs/dbraw/zinc/00/08/51/563000851.db2.gz GKFVMIJTBWZDAE-UHFFFAOYSA-N -1 0 462.469 5.423 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H](CCCO)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834170 563000913 /nfs/dbraw/zinc/00/09/13/563000913.db2.gz DPSZXCJLCIRVHX-HSZRJFAPSA-N -1 0 457.526 5.571 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000013892676 563004273 /nfs/dbraw/zinc/00/42/73/563004273.db2.gz FPHIRTQRLMIFKH-AREMUKBSSA-N -1 0 492.019 6.469 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cn1cc(C(c3ccccc3)c3ccccc3)cn1)C2 ZINC000013902542 563004389 /nfs/dbraw/zinc/00/43/89/563004389.db2.gz WDYCQLVGOXQMNC-NRFANRHFSA-N -1 0 452.554 5.332 1 0 JKAFRM COc1cccc(OC)c1C(=O)C[C@@H](CC(=O)c1ccc(F)cc1)c1cccc(C(=O)[O-])c1 ZINC000013907054 563004432 /nfs/dbraw/zinc/00/44/32/563004432.db2.gz BHYFSAGBJNILQS-LJQANCHMSA-N -1 0 450.462 5.171 1 0 JKAFRM CN(CCOc1ccc(C[C@H](CCCCCc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000013906337 563004472 /nfs/dbraw/zinc/00/44/72/563004472.db2.gz JQWHAFGFUJVEPW-VWLOTQADSA-N -1 0 486.612 6.389 1 0 JKAFRM CCc1ccc(O[C@@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(C(=O)c2ccccc2)c1 ZINC000013980247 563005233 /nfs/dbraw/zinc/00/52/33/563005233.db2.gz ONHBOWNRMGRYNP-NRFANRHFSA-N -1 0 460.570 6.042 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccccc3CCC(=O)[O-])c2=O)cc1 ZINC000014963405 563008532 /nfs/dbraw/zinc/00/85/32/563008532.db2.gz WQAYHUCTNDIWGZ-UHFFFAOYSA-N -1 0 481.552 5.533 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc(CC(=O)[O-])cc3)c2=O)cc1 ZINC000014963409 563008535 /nfs/dbraw/zinc/00/85/35/563008535.db2.gz YDSHGKWTPATILZ-UHFFFAOYSA-N -1 0 467.525 5.143 1 0 JKAFRM COc1cc(CC(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1C ZINC000014963417 563008548 /nfs/dbraw/zinc/00/85/48/563008548.db2.gz VOCBDNRGLAJDJJ-GOSISDBHSA-N -1 0 475.545 5.407 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3ccncc3)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963519 563008613 /nfs/dbraw/zinc/00/86/13/563008613.db2.gz QBDMXAGNKJYGKD-NRFANRHFSA-N -1 0 466.324 5.029 1 0 JKAFRM CCC[C@H](C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)cc1Br ZINC000014969201 563009473 /nfs/dbraw/zinc/00/94/73/563009473.db2.gz QBMDICSETMGEGS-NSHDSACASA-N -1 0 489.193 6.550 1 0 JKAFRM CCNc1cccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)c1 ZINC000014969163 563009492 /nfs/dbraw/zinc/00/94/92/563009492.db2.gz HNHRKBWCJIABCS-UHFFFAOYSA-N -1 0 457.162 5.240 1 0 JKAFRM CCC[C@@H](C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)cc1Br ZINC000014969197 563009503 /nfs/dbraw/zinc/00/95/03/563009503.db2.gz QBMDICSETMGEGS-LLVKDONJSA-N -1 0 489.193 6.550 1 0 JKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(OC(F)(F)F)c3)c2)c(Cl)c1 ZINC000014969244 563009526 /nfs/dbraw/zinc/00/95/26/563009526.db2.gz URFQJEGLROMZOX-UHFFFAOYSA-N -1 0 473.230 6.684 1 0 JKAFRM NC(=O)c1cnc2c(cccc2C(F)(F)F)c1-c1cccc(NCc2ccc(CC(=O)[O-])cc2)c1 ZINC000014972529 563009848 /nfs/dbraw/zinc/00/98/48/563009848.db2.gz WYSNMXQODNGIQW-UHFFFAOYSA-N -1 0 479.458 5.259 1 0 JKAFRM CCCc1cc(-c2nc(CC)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977118 563010437 /nfs/dbraw/zinc/01/04/37/563010437.db2.gz WCDXSIMIKBDXKI-FQEVSTJZSA-N -1 0 479.642 6.677 1 0 JKAFRM CCOc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])cc2)n1 ZINC000014977200 563010479 /nfs/dbraw/zinc/01/04/79/563010479.db2.gz BNSVMZISMVJASA-IBGZPJMESA-N -1 0 453.560 5.561 1 0 JKAFRM CCCc1cc(-c2nc(OCC)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977203 563010550 /nfs/dbraw/zinc/01/05/50/563010550.db2.gz DTSZUNRPQWYGHX-FQEVSTJZSA-N -1 0 495.641 6.514 1 0 JKAFRM CCOc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])c(OC)c2)sc1C ZINC000014977216 563010563 /nfs/dbraw/zinc/01/05/63/563010563.db2.gz UQFZTBWTJZBMDL-IBGZPJMESA-N -1 0 497.613 5.878 1 0 JKAFRM CC(C)=CCC1=C([O-])C(CC=C(C)C)=C2OC(c3ccc4c(c3)OC(C)(C)C=C4)C(=O)C(O)=C2C1=O ZINC000015147561 563011315 /nfs/dbraw/zinc/01/13/15/563011315.db2.gz GKELGBDDLUFHJZ-UHFFFAOYSA-N -1 0 488.580 6.778 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@@H](Cn1cnc(C(c3ccccc3)c3ccccc3)c1)C2 ZINC000026022521 563021947 /nfs/dbraw/zinc/02/19/47/563021947.db2.gz OXIQGRZNOUMOJR-OAQYLSRUSA-N -1 0 452.554 5.332 1 0 JKAFRM CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](OS(=O)(=O)[O-])[C@@H](C)CCCc1ccoc1 ZINC000026154975 563022501 /nfs/dbraw/zinc/02/25/01/563022501.db2.gz HXCWHJGIRYQQDZ-TVLDRFKXSA-N -1 0 452.657 6.615 1 0 JKAFRM CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000026155136 563022534 /nfs/dbraw/zinc/02/25/34/563022534.db2.gz MNEHSYWXUUFZMU-UHFFFAOYSA-N -1 0 450.487 5.496 1 0 JKAFRM COc1ccc2nc(C3CC3)c(Oc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(C(=O)[O-])c2c1 ZINC000026166199 563023004 /nfs/dbraw/zinc/02/30/04/563023004.db2.gz FGOFSCBJVSLROD-UHFFFAOYSA-N -1 0 479.496 5.458 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)C[S@](=O)[C@@H]1c1cccnc1 ZINC000026170242 563023313 /nfs/dbraw/zinc/02/33/13/563023313.db2.gz UCHZGYCIIFATFO-DGCUIKEHSA-N -1 0 489.637 5.955 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@@H]1c1cccnc1 ZINC000026181216 563023811 /nfs/dbraw/zinc/02/38/11/563023811.db2.gz NMJYFIAGWNELHF-RMZINKPKSA-N -1 0 457.570 6.223 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 ZINC000026181706 563023881 /nfs/dbraw/zinc/02/38/81/563023881.db2.gz AVFPODQCTNAKHD-BTOVUEFMSA-N -1 0 473.638 6.939 1 0 JKAFRM CN(CCOc1ccc(C[C@@H](CCCCc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000026253312 563024499 /nfs/dbraw/zinc/02/44/99/563024499.db2.gz HEMGBLAISIVJMU-XMMPIXPASA-N -1 0 472.585 5.999 1 0 JKAFRM CCc1nc2c(C)cc(C)nn2c1Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000026284679 563025539 /nfs/dbraw/zinc/02/55/39/563025539.db2.gz VHALJWKLWUBMSM-UHFFFAOYSA-N -1 0 488.535 5.428 1 0 JKAFRM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000026295049 563025875 /nfs/dbraw/zinc/02/58/75/563025875.db2.gz BELUHHKXAXFLAR-UHFFFAOYSA-N -1 0 493.268 7.110 1 0 JKAFRM CCCc1ccc(-c2ccsc2S(=O)(=O)[N-]c2onc(C)c2Br)c(C)c1 ZINC000026579666 563031317 /nfs/dbraw/zinc/03/13/17/563031317.db2.gz RQMRNWJRXJVROO-UHFFFAOYSA-N -1 0 455.399 5.536 1 0 JKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2cccnc2)nn1CC1CCCCC1 ZINC000026574445 563030308 /nfs/dbraw/zinc/03/03/08/563030308.db2.gz TVAKORWNEAPJFV-UHFFFAOYSA-N -1 0 453.926 5.197 1 0 JKAFRM COc1ccc(-c2nn(CC3CCCCC3)c(C(=O)[O-])c2Cc2cc3c(cc2Cl)OCO3)cc1 ZINC000026574443 563030318 /nfs/dbraw/zinc/03/03/18/563030318.db2.gz RMWPSJXRIZVXFS-UHFFFAOYSA-N -1 0 482.964 5.810 1 0 JKAFRM O=C(Nc1ccc(Sc2nc3ccc(Cl)cc3s2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000026575515 563030388 /nfs/dbraw/zinc/03/03/88/563030388.db2.gz ZUPCQJOJFSVVGT-UHFFFAOYSA-N -1 0 481.813 7.366 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2ncc(CCC(=O)[O-])o2)cc1 ZINC000026575898 563030477 /nfs/dbraw/zinc/03/04/77/563030477.db2.gz RTTRCNDKNNRWCA-QHCPKHFHSA-N -1 0 492.576 5.090 1 0 JKAFRM O=C([O-])c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1 ZINC000026577189 563030688 /nfs/dbraw/zinc/03/06/88/563030688.db2.gz LKXVZIINNOKKQM-UHFFFAOYSA-N -1 0 498.171 5.047 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2ncc(CC(=O)[O-])s2)cc1 ZINC000026577006 563030690 /nfs/dbraw/zinc/03/06/90/563030690.db2.gz FIOJEIDTFLTZLC-QFIPXVFZSA-N -1 0 494.617 5.169 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2nc(CC(=O)[O-])cs2)cc1 ZINC000026577005 563030706 /nfs/dbraw/zinc/03/07/06/563030706.db2.gz XNRQBLKIOQTKCL-QFIPXVFZSA-N -1 0 494.617 5.169 1 0 JKAFRM CCCCc1nc2cccc(C(=O)[O-])c2nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026649024 563031917 /nfs/dbraw/zinc/03/19/17/563031917.db2.gz VNXUGSLXHGOOKE-UHFFFAOYSA-N -1 0 464.529 5.109 1 0 JKAFRM CCCCOc1c(-c2c[nH]c3ccc(/C(C)=C/C(=O)[O-])cc32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000026663009 563032834 /nfs/dbraw/zinc/03/28/34/563032834.db2.gz CATUIEOZAVGOQU-XMHGGMMESA-N -1 0 461.646 8.097 1 0 JKAFRM COc1ccc([C@@H](c2ccc(O)c(C(C)C)c2)c2c(C)cc(OCC(=O)[O-])cc2C)c(OC)c1 ZINC000026718487 563033764 /nfs/dbraw/zinc/03/37/64/563033764.db2.gz MHJKWBHTJNHMDS-MUUNZHRXSA-N -1 0 464.558 5.793 1 0 JKAFRM CC(C)c1cc(-c2ccccc2)cc(CC2CCCCC2)c1OC[C@H](O)C[C@@H](O)CC(=O)[O-] ZINC000026751712 563035256 /nfs/dbraw/zinc/03/52/56/563035256.db2.gz KPUVGZRDNIMEGL-JWQCQUIFSA-N -1 0 454.607 5.565 1 0 JKAFRM C[C@@H](C1=C([O-])[C@@](CCc2ccccc2)(C(=O)NCc2ccc(C(C)(C)C)cc2)OC1=O)c1ccccc1 ZINC000026840147 563036745 /nfs/dbraw/zinc/03/67/45/563036745.db2.gz PCMRLOMMAYYDQP-KCEHZKJRSA-N -1 0 497.635 6.145 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026937501 563037543 /nfs/dbraw/zinc/03/75/43/563037543.db2.gz KSSXAQBBSDWRDA-VHEBQXMUSA-N -1 0 474.651 7.151 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026939958 563037673 /nfs/dbraw/zinc/03/76/73/563037673.db2.gz YHFHCHRNEQQBCG-ISLYRVAYSA-N -1 0 495.069 7.496 1 0 JKAFRM O=S(=O)(/C=C/c1ccc(-c2ccccc2)cc1)[N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026939582 563037683 /nfs/dbraw/zinc/03/76/83/563037683.db2.gz OENXQRNTTYKFMY-QZQOTICOSA-N -1 0 494.641 7.557 1 0 JKAFRM C/C(=C/Cn1oc(=O)[n-]c1=O)c1cccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000027100266 563039922 /nfs/dbraw/zinc/03/99/22/563039922.db2.gz UTPYMBSUSZURCI-XGICHPGQSA-N -1 0 474.357 5.262 1 0 JKAFRM O=C([O-])c1ccc(OCC(=O)COc2ccc(-c3noc(-c4ccc(Cl)c(Cl)c4)n3)cc2)cc1 ZINC000027189499 563041001 /nfs/dbraw/zinc/04/10/01/563041001.db2.gz PYPYPDRHVMLTBE-UHFFFAOYSA-N -1 0 499.306 5.436 1 0 JKAFRM O=C(COc1ccc(C(=O)[O-])cc1)COc1ccc(-c2noc(CCCCc3ccccc3)n2)cc1 ZINC000027192547 563041092 /nfs/dbraw/zinc/04/10/92/563041092.db2.gz QCPMPLUBXYBUJI-UHFFFAOYSA-N -1 0 486.524 5.027 1 0 JKAFRM O=C([O-])c1ccc(OCC(=O)COc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000027194094 563041120 /nfs/dbraw/zinc/04/11/20/563041120.db2.gz ULCVSHGPBPKRQM-UHFFFAOYSA-N -1 0 461.297 5.298 1 0 JKAFRM CCC1(CC)C(=O)N(C(=O)NCc2ccc(-c3ccccc3)cc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000027212231 563042088 /nfs/dbraw/zinc/04/20/88/563042088.db2.gz CZHJMMBUULKIPM-AREMUKBSSA-N -1 0 472.541 5.315 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@H](Sc3ccccc3)C(=O)[O-])ccc2o1 ZINC000027302831 563042398 /nfs/dbraw/zinc/04/23/98/563042398.db2.gz GVKNIEVBIWGJSY-SANMLTNESA-N -1 0 469.562 6.775 1 0 JKAFRM Cc1cn(Cc2ccc3ccccc3n2)c2cc(C(=O)NCCc3ccc(C(=O)[O-])cc3)ccc12 ZINC000027320480 563042777 /nfs/dbraw/zinc/04/27/77/563042777.db2.gz FZIFQZJGCBRYHJ-UHFFFAOYSA-N -1 0 463.537 5.217 1 0 JKAFRM CN1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2N=C(c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000027429413 563044103 /nfs/dbraw/zinc/04/41/03/563044103.db2.gz RSXVAWNFFSAWBD-UHFFFAOYSA-N -1 0 462.593 7.103 1 0 JKAFRM CCCCC1=N[C@@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1 ZINC000027551948 563046051 /nfs/dbraw/zinc/04/60/51/563046051.db2.gz TZEDXVFFGYQASX-LJAQVGFWSA-N -1 0 486.616 6.379 1 0 JKAFRM CCOc1cc(CC(=O)N[C@@H](CC2CCC2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027562949 563046993 /nfs/dbraw/zinc/04/69/93/563046993.db2.gz YEIXREQHMPPDAF-DEOSSOPVSA-N -1 0 464.606 5.364 1 0 JKAFRM CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=S)o[n-]2)cc1 ZINC000027562903 563046999 /nfs/dbraw/zinc/04/69/99/563046999.db2.gz OUFVWDIYTKXUDS-UHFFFAOYSA-N -1 0 486.553 5.276 1 0 JKAFRM O=C([O-])c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCCCC2)cc1 ZINC000027563996 563047082 /nfs/dbraw/zinc/04/70/82/563047082.db2.gz QFALCSFUGOITMN-UHFFFAOYSA-N -1 0 457.014 5.952 1 0 JKAFRM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2c1cc(Br)cc2C(F)(F)F ZINC000027621218 563047262 /nfs/dbraw/zinc/04/72/62/563047262.db2.gz FBQTXJDDFXHOGW-UHFFFAOYSA-N -1 0 475.058 6.144 1 0 JKAFRM CC(C)c1sc(-c2ccccc2)c(-c2cccc(F)c2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027633020 563047725 /nfs/dbraw/zinc/04/77/25/563047725.db2.gz ZVFVFQUUSPECBX-LKWCPCFXSA-N -1 0 454.563 5.944 1 0 JKAFRM COc1ccc(C(=O)C[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)c(OC)c1OC ZINC000027636857 563047810 /nfs/dbraw/zinc/04/78/10/563047810.db2.gz CWIUQXFKZFCCTL-LJQANCHMSA-N -1 0 496.943 5.694 1 0 JKAFRM COc1ccc(C(=O)C[C@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)[O-])c2)cc1OC ZINC000027638319 563047921 /nfs/dbraw/zinc/04/79/21/563047921.db2.gz WEUJYQCJGUHUEH-FQEVSTJZSA-N -1 0 450.462 5.171 1 0 JKAFRM CC(C)(C)c1ccc(C(=O)CC(CC(=O)c2ccc(C(C)(C)C)cc2)c2cccc(C(=O)[O-])c2)cc1 ZINC000027637850 563047929 /nfs/dbraw/zinc/04/79/29/563047929.db2.gz VXEZXSZHYWASQG-UHFFFAOYSA-N -1 0 484.636 7.609 1 0 JKAFRM COc1ccc(-c2c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)sc2-c2ccccc2)cc1 ZINC000027638975 563048013 /nfs/dbraw/zinc/04/80/13/563048013.db2.gz KUSQOVJFJSSLFT-OKYCLFFTSA-N -1 0 466.599 5.814 1 0 JKAFRM COc1ccc(C(=O)C[C@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)cc1OC ZINC000027642188 563048114 /nfs/dbraw/zinc/04/81/14/563048114.db2.gz RBLNVOFLDUHEPH-FQEVSTJZSA-N -1 0 466.917 5.685 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3cc(OC)ccc3OC)c(=O)c2C(=O)[O-])cc1 ZINC000027717947 563050145 /nfs/dbraw/zinc/05/01/45/563050145.db2.gz SHXQXLJFESTKDP-UHFFFAOYSA-N -1 0 485.492 5.187 1 0 JKAFRM CC(C)(Oc1ccc(Br)cc1)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027755503 563051315 /nfs/dbraw/zinc/05/13/15/563051315.db2.gz HCFZUTSDEMKXQB-VQLHPMEFSA-N -1 0 490.394 5.543 1 0 JKAFRM C[C@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000027761570 563051506 /nfs/dbraw/zinc/05/15/06/563051506.db2.gz OKDODUJITAVGGA-WMTVXVAQSA-N -1 0 489.637 6.435 1 0 JKAFRM CCCCc1nccn1Cc1ccc2[nH]c(-c3ccccc3C(=O)[O-])c(Br)c2c1 ZINC000027765977 563051569 /nfs/dbraw/zinc/05/15/69/563051569.db2.gz DSZRKVVWNVDYPQ-UHFFFAOYSA-N -1 0 452.352 5.883 1 0 JKAFRM CC(C)(C)c1ccc(Oc2cccc([C@H]3SCC(=O)N3[C@@H](Cc3ccccc3)C(=O)[O-])c2)cc1 ZINC000027766948 563051657 /nfs/dbraw/zinc/05/16/57/563051657.db2.gz KSYGBHZCNQGZOB-AZGAKELHSA-N -1 0 475.610 6.046 1 0 JKAFRM CCCC[C@H](C(=O)[O-])N1C(=O)[C@@H](C)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846225 563051797 /nfs/dbraw/zinc/05/17/97/563051797.db2.gz STLMIGJZAOXUKB-BSDZUQITSA-N -1 0 455.620 6.382 1 0 JKAFRM CCCc1c(OCc2ccc(C(=O)[O-])cc2OC)cc2oc(-c3ccccc3)cc(=O)c2c1O ZINC000027900778 563053332 /nfs/dbraw/zinc/05/33/32/563053332.db2.gz NNCUHWFYVMVSQO-UHFFFAOYSA-N -1 0 460.482 5.404 1 0 JKAFRM CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H](C)[C@H](OS(=O)(=O)[O-])[C@H](C)CCCc1ccoc1 ZINC000027997277 563054195 /nfs/dbraw/zinc/05/41/95/563054195.db2.gz RGCUPNSJAKXGJZ-ASELWCIPSA-N -1 0 466.684 6.861 1 0 JKAFRM CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@H](C)[C@H](OS(=O)(=O)[O-])[C@H](C)CCCc1ccoc1 ZINC000027997282 563054223 /nfs/dbraw/zinc/05/42/23/563054223.db2.gz RGCUPNSJAKXGJZ-SBUXDREISA-N -1 0 466.684 6.861 1 0 JKAFRM CCCC(CCC)(CC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1)C(=O)[O-] ZINC000028092519 563055710 /nfs/dbraw/zinc/05/57/10/563055710.db2.gz FKGPTFPCZZCYKN-UHFFFAOYSA-N -1 0 452.526 5.953 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)NCCCC(=O)[O-])c(Cl)c1Cl ZINC000028094349 563055759 /nfs/dbraw/zinc/05/57/59/563055759.db2.gz OHELAVHWEMILBF-SJORKVTESA-N -1 0 466.430 6.353 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C(=O)[O-])c(Cl)c1Cl ZINC000028093775 563055787 /nfs/dbraw/zinc/05/57/87/563055787.db2.gz LBFPLUWTLKUUCU-GBESFXJTSA-N -1 0 492.468 6.837 1 0 JKAFRM COc1ccc2c(c1)c(Cc1ccccc1O[C@@H](C)C(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028133741 563057529 /nfs/dbraw/zinc/05/75/29/563057529.db2.gz XICCHOADKSBRIM-KRWDZBQOSA-N -1 0 477.944 5.743 1 0 JKAFRM CC(C)(CC(=O)[O-])Cc1nc2cc(Cl)ccc2n1Cc1ccc(Br)cc1F ZINC000028217901 563057784 /nfs/dbraw/zinc/05/77/84/563057784.db2.gz IFKICUUUJIVWOP-UHFFFAOYSA-N -1 0 453.739 5.683 1 0 JKAFRM O=S(=O)(c1nc(-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)[n-]1)C(F)(F)C(F)F ZINC000028221502 563057928 /nfs/dbraw/zinc/05/79/28/563057928.db2.gz NPLCWYRFONYLOL-UHFFFAOYSA-N -1 0 453.244 5.682 1 0 JKAFRM CCC[C@]1(CCC(=O)[O-])Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2C1=O ZINC000028229972 563058272 /nfs/dbraw/zinc/05/82/72/563058272.db2.gz NBZBRMBEAWOCAH-LJAQVGFWSA-N -1 0 458.554 6.235 1 0 JKAFRM O=C(Nc1nc2c(cccc2Cl)s1)c1cc(Br)cc(Br)c1[O-] ZINC000028245139 563058873 /nfs/dbraw/zinc/05/88/73/563058873.db2.gz BGQUJAMAAQFPHQ-UHFFFAOYSA-N -1 0 462.550 5.433 1 0 JKAFRM CCCCc1ccc(C(=O)NCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000028252649 563059013 /nfs/dbraw/zinc/05/90/13/563059013.db2.gz QEBHDTJWPLDMNM-UHFFFAOYSA-N -1 0 494.591 5.534 1 0 JKAFRM COc1ccccc1Sc1ccc(-c2ccnc(N3CCC(C(=O)[O-])CC3)c2)cc1C(F)(F)F ZINC000028335995 563059927 /nfs/dbraw/zinc/05/99/27/563059927.db2.gz CEEYZLMHLBHWRT-UHFFFAOYSA-N -1 0 488.531 6.228 1 0 JKAFRM O=C([O-])CCn1c2ccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2c2c1CCCC2 ZINC000028344076 563060656 /nfs/dbraw/zinc/06/06/56/563060656.db2.gz GYLOMTRPWZYSQF-UHFFFAOYSA-N -1 0 490.581 5.588 1 0 JKAFRM CO[C@@H](Cc1ccc(OCCCOc2ccc(C(=O)c3ccccc3)cc2)c(Cl)c1)C(=O)[O-] ZINC000028362956 563061856 /nfs/dbraw/zinc/06/18/56/563061856.db2.gz XCVUGMYZFJHTQE-DEOSSOPVSA-N -1 0 468.933 5.061 1 0 JKAFRM CC(C)c1cc(-c2cccc(Cl)c2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000028366640 563062043 /nfs/dbraw/zinc/06/20/43/563062043.db2.gz FTEKIMCNOJORSK-LLZSMSLNSA-N -1 0 471.956 5.795 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@](C)(Oc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000028456858 563064173 /nfs/dbraw/zinc/06/41/73/563064173.db2.gz ZUUDQJNRQBHZTC-LJAQVGFWSA-N -1 0 471.553 6.045 1 0 JKAFRM O=C([O-])C[C@@H](c1cccc(Cl)c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028472706 563065600 /nfs/dbraw/zinc/06/56/00/563065600.db2.gz YRCDKPLXZYFHKS-VWLOTQADSA-N -1 0 475.976 5.733 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC[C@H]2CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000028473806 563065694 /nfs/dbraw/zinc/06/56/94/563065694.db2.gz QTCGNKDSVVYLCF-FQEVSTJZSA-N -1 0 453.538 6.525 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCC=C[C@@]2(O)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000028473876 563065699 /nfs/dbraw/zinc/06/56/99/563065699.db2.gz REXBLQIJXAULOT-NGQVCNFZSA-N -1 0 481.548 5.869 1 0 JKAFRM COc1ccccc1[C@@H](CC(=O)[O-])n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028475683 563065919 /nfs/dbraw/zinc/06/59/19/563065919.db2.gz YURBLSCQXZUCIK-RUZDIDTESA-N -1 0 471.557 5.089 1 0 JKAFRM COc1ccccc1[C@H](CC(=O)[O-])n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028475686 563065927 /nfs/dbraw/zinc/06/59/27/563065927.db2.gz YURBLSCQXZUCIK-VWLOTQADSA-N -1 0 471.557 5.089 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(F)cc4F)cc3F)nc2c1 ZINC000028524161 563067089 /nfs/dbraw/zinc/06/70/89/563067089.db2.gz UBWHDFSXXXWVPD-FPYGCLRLSA-N -1 0 452.388 5.191 1 0 JKAFRM COc1ccc(NC(=O)/C=C/c2ccc(-c3nc4cc(CC(=O)[O-])ccc4o3)cc2)cc1Cl ZINC000028524064 563067098 /nfs/dbraw/zinc/06/70/98/563067098.db2.gz JYJCPOJRNMUQMH-VZUCSPMQSA-N -1 0 462.889 5.436 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(C(F)(F)F)cc4)c(F)c3)nc2c1 ZINC000028524743 563067298 /nfs/dbraw/zinc/06/72/98/563067298.db2.gz URTUDUORTGZHPY-ONNFQVAWSA-N -1 0 484.405 5.932 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)cc4Cl)cc3F)nc2c1 ZINC000028524787 563067335 /nfs/dbraw/zinc/06/73/35/563067335.db2.gz XFZQOIZBAGYHBT-FPYGCLRLSA-N -1 0 485.298 6.220 1 0 JKAFRM O=C([O-])Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3Cl)o2)cs1 ZINC000028524886 563067337 /nfs/dbraw/zinc/06/73/37/563067337.db2.gz ZFRKCDNPLQVFFB-UHFFFAOYSA-N -1 0 473.337 6.256 1 0 JKAFRM O=C([O-])c1c(Oc2cccc(C(F)(F)F)c2)c2ccccc2n1-c1ccc(C(F)(F)F)cc1 ZINC000028526334 563067943 /nfs/dbraw/zinc/06/79/43/563067943.db2.gz NEXABUMCTWIWDJ-UHFFFAOYSA-N -1 0 465.349 7.159 1 0 JKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[S@@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000028528127 563068188 /nfs/dbraw/zinc/06/81/88/563068188.db2.gz GAHSNLSCMMEDKK-AHQIPQEZSA-N -1 0 451.673 5.470 1 0 JKAFRM CC(C)(C)c1ccc(-n2c3cc(Cl)ccc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528373 563068244 /nfs/dbraw/zinc/06/82/44/563068244.db2.gz FOQAEWTVZXSVMU-UHFFFAOYSA-N -1 0 487.905 8.091 1 0 JKAFRM C/C(=C\Cc1ccccc1)CC[C@@]1(O)C[C@H]2C[C@@H](C/C(C)=C/C/C=C/C/C(CC(=O)[O-])=C\C(=O)O2)O1 ZINC000028539358 563068898 /nfs/dbraw/zinc/06/88/98/563068898.db2.gz ROPGADFKOUALIE-QOOGXZRWSA-N -1 0 494.628 5.823 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3-c3ccccc3)ccc21 ZINC000028563322 563068998 /nfs/dbraw/zinc/06/89/98/563068998.db2.gz QZUUHGLXJRUESM-RSXGOPAZSA-N -1 0 467.565 6.771 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cc5ccccc5s4)oc3C)ccc21 ZINC000028563872 563069061 /nfs/dbraw/zinc/06/90/61/563069061.db2.gz OUFVUVNMAQYSQI-RBBKRZOGSA-N -1 0 461.583 6.627 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)c(Cl)c4)oc3C)ccc21 ZINC000028563574 563069069 /nfs/dbraw/zinc/06/90/69/563069069.db2.gz SJYFDJBDUNUHJQ-ICSRJNTNSA-N -1 0 474.384 6.719 1 0 JKAFRM O=C1OC(=Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2)C([O-])=C1c1cc(Cl)cc(Cl)c1 ZINC000028565523 563069360 /nfs/dbraw/zinc/06/93/60/563069360.db2.gz OVWAQPGFSBDXSP-SDPNRITHSA-N -1 0 478.158 7.834 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21 ZINC000028565970 563069465 /nfs/dbraw/zinc/06/94/65/563069465.db2.gz VDMPSLVDONBYIE-CTNGQTDRSA-N -1 0 473.491 6.513 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)ccc21 ZINC000028565668 563069474 /nfs/dbraw/zinc/06/94/74/563069474.db2.gz LVCWAOJIQPHHLA-IRLDBZIGSA-N -1 0 473.491 6.431 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4Cl)oc3C)ccc21 ZINC000028565840 563069506 /nfs/dbraw/zinc/06/95/06/563069506.db2.gz RHBPHZFZEOLCGS-ICSRJNTNSA-N -1 0 474.384 6.719 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc5ccccc5c4)oc3C)ccc21 ZINC000028566015 563069563 /nfs/dbraw/zinc/06/95/63/563069563.db2.gz YLNYVRMYGMHHFV-AHWVRZQESA-N -1 0 455.554 6.565 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21 ZINC000028565975 563069564 /nfs/dbraw/zinc/06/95/64/563069564.db2.gz VDMPSLVDONBYIE-TZIWHRDSSA-N -1 0 473.491 6.513 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@H](CCCc1ccccc1)C(=O)[O-] ZINC000028566141 563069579 /nfs/dbraw/zinc/06/95/79/563069579.db2.gz NOFKKQONAUJXIN-VMPREFPWSA-N -1 0 495.619 7.025 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc5ccccc5c4)oc3C)ccc21 ZINC000028566017 563069588 /nfs/dbraw/zinc/06/95/88/563069588.db2.gz YLNYVRMYGMHHFV-RSXGOPAZSA-N -1 0 455.554 6.565 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)ccc21 ZINC000028566286 563069684 /nfs/dbraw/zinc/06/96/84/563069684.db2.gz LDACFVHWDBQOOJ-NOZRDPDXSA-N -1 0 461.602 6.710 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccccc3)cc21 ZINC000028567754 563069814 /nfs/dbraw/zinc/06/98/14/563069814.db2.gz ZHORMDGNABWUQX-DQEYMECFSA-N -1 0 481.592 7.079 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc(OCCCCOc2ccc(-c3ccccc3)cc2)cc1)OC1CCCC1 ZINC000028569605 563070468 /nfs/dbraw/zinc/07/04/68/563070468.db2.gz JSOQLYMUSNTOFH-LJAQVGFWSA-N -1 0 474.597 6.547 1 0 JKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccc(C(F)(F)F)cc3)cc1)n2C1CCCC1 ZINC000028570954 563070926 /nfs/dbraw/zinc/07/09/26/563070926.db2.gz CARBPJFCDAHMQH-UHFFFAOYSA-N -1 0 480.486 7.114 1 0 JKAFRM CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028571460 563071051 /nfs/dbraw/zinc/07/10/51/563071051.db2.gz DDPMKDJRWHFNKY-UHFFFAOYSA-N -1 0 488.939 6.751 1 0 JKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OC(F)(F)F)cc2Cl)cc1)C(=O)[O-] ZINC000028571971 563071170 /nfs/dbraw/zinc/07/11/70/563071170.db2.gz QBIMTNROIVLDKB-NRFANRHFSA-N -1 0 460.876 6.130 1 0 JKAFRM CCC[C@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028572471 563071384 /nfs/dbraw/zinc/07/13/84/563071384.db2.gz MOIFGGMAUNAZIX-HXUWFJFHSA-N -1 0 486.967 7.163 1 0 JKAFRM O=C([O-])c1c(O)c(Cc2c[nH]c3ccc(Br)cc23)nc2c1ccc1c2CCCC1 ZINC000028603979 563071425 /nfs/dbraw/zinc/07/14/25/563071425.db2.gz YDNZDWTYXSFPMP-UHFFFAOYSA-N -1 0 451.320 5.352 1 0 JKAFRM CCCCCCOc1ccc(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000028652264 563074073 /nfs/dbraw/zinc/07/40/73/563074073.db2.gz HXLPZGNZHMZDIY-IBGZPJMESA-N -1 0 479.539 6.248 1 0 JKAFRM CCCCOc1ccc(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028652287 563074096 /nfs/dbraw/zinc/07/40/96/563074096.db2.gz AJSFKATVCYWKJN-INIZCTEOSA-N -1 0 469.475 5.607 1 0 in-vitro JKAFRM CC(C)CCN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000028655787 563074354 /nfs/dbraw/zinc/07/43/54/563074354.db2.gz BYGRIQRULBMRSE-UHFFFAOYSA-N -1 0 490.604 5.596 1 0 JKAFRM CCOC[C@@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704683 563075267 /nfs/dbraw/zinc/07/52/67/563075267.db2.gz WMDITBUCSIRSPY-INIZCTEOSA-N -1 0 458.498 5.301 1 0 JKAFRM Cc1ccc(CCN(C)C(=O)Cc2ccc(OCCCCOc3ccc(CC(=O)[O-])cc3)cc2)cc1 ZINC000028712397 563076972 /nfs/dbraw/zinc/07/69/72/563076972.db2.gz AYZWGSZIOOWMDI-UHFFFAOYSA-N -1 0 489.612 5.104 1 0 JKAFRM CC(C)=CCN(c1ccc(O)c(C(C)C)c1)c1c(C)cc(C[C@@H]2SC(=O)[N-]C2=O)cc1C ZINC000028713852 563077540 /nfs/dbraw/zinc/07/75/40/563077540.db2.gz LHKHPMSSQXNXRM-QHCPKHFHSA-N -1 0 452.620 6.131 1 0 JKAFRM Cc1cc(C[C@@H]2SC(=O)[N-]C2=O)cc(C)c1N(CC1CCCCC1)c1ccc(O)c(C(C)C)c1 ZINC000028713854 563077547 /nfs/dbraw/zinc/07/75/47/563077547.db2.gz UDKHLYDMZDGMIF-VWLOTQADSA-N -1 0 480.674 6.745 1 0 JKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(C(=O)Nc2cccc(C)c2C(=O)[O-])cc1 ZINC000028761613 563078289 /nfs/dbraw/zinc/07/82/89/563078289.db2.gz SRCFDOKQABYCML-UHFFFAOYSA-N -1 0 469.969 5.333 1 0 JKAFRM COc1ccc(COc2ccc(Br)cc2C2=C(c3cccc(C(=O)[O-])c3)CCC2)cc1 ZINC000028819255 563080384 /nfs/dbraw/zinc/08/03/84/563080384.db2.gz SQHGRAOBQJLAPK-UHFFFAOYSA-N -1 0 479.370 6.830 1 0 JKAFRM O=C([O-])c1cccc(C2=C(c3cc(Br)ccc3OCc3ccc(F)cc3)CCC2)c1 ZINC000028819247 563080409 /nfs/dbraw/zinc/08/04/09/563080409.db2.gz MORZRGQFHFKBML-UHFFFAOYSA-N -1 0 467.334 6.960 1 0 JKAFRM Cc1cc(SCc2nsc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC(C)(C)C(=O)[O-] ZINC000028821850 563080705 /nfs/dbraw/zinc/08/07/05/563080705.db2.gz RJFFDLMVDVMUFD-UHFFFAOYSA-N -1 0 468.522 6.067 1 0 JKAFRM CCO[C@@H](Cc1ccc(CC[C@@H](OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028821985 563080831 /nfs/dbraw/zinc/08/08/31/563080831.db2.gz SEKXQBPSFURDHT-FTJBHMTQSA-N -1 0 477.626 5.484 1 0 JKAFRM O=C([O-])Cc1coc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc12 ZINC000028822716 563081212 /nfs/dbraw/zinc/08/12/12/563081212.db2.gz WUEITGSPHUOFIP-UHFFFAOYSA-N -1 0 456.416 6.237 1 0 JKAFRM Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)[O-] ZINC000028825486 563082256 /nfs/dbraw/zinc/08/22/56/563082256.db2.gz LCOLZKUTZKYABX-UHFFFAOYSA-N -1 0 476.960 5.880 1 0 JKAFRM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000028870608 563084159 /nfs/dbraw/zinc/08/41/59/563084159.db2.gz VLZDCEZRGKHBHK-UHFFFAOYSA-N -1 0 455.750 5.700 1 0 JKAFRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc3nc(-c4ccc(F)cc4)c(C4CCCCC4)nc3c2)cc1 ZINC000028880115 563084660 /nfs/dbraw/zinc/08/46/60/563084660.db2.gz VNBBVWASJVSIPW-CAOOACKPSA-N -1 0 495.554 6.834 1 0 JKAFRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc3nc(C4CCCCC4)c(-c4ccc(F)cc4)nc3c2)cc1 ZINC000028880075 563084662 /nfs/dbraw/zinc/08/46/62/563084662.db2.gz SPVVUDCTATYFKK-CAOOACKPSA-N -1 0 495.554 6.834 1 0 JKAFRM CC(=O)c1sc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])nc2)nc1C ZINC000028891677 563085169 /nfs/dbraw/zinc/08/51/69/563085169.db2.gz VZQYLUXYBCRPJQ-SFHVURJKSA-N -1 0 466.559 5.069 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900640 563086027 /nfs/dbraw/zinc/08/60/27/563086027.db2.gz OHMRDPQUJCZKEP-DEOSSOPVSA-N -1 0 460.530 5.546 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C)ccc3o2)c1)C(=O)[O-] ZINC000028900710 563086043 /nfs/dbraw/zinc/08/60/43/563086043.db2.gz JHVLXXITSNQNAT-VWLOTQADSA-N -1 0 474.557 5.854 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccc(C)c(C)c2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900815 563086065 /nfs/dbraw/zinc/08/60/65/563086065.db2.gz ISWHVEGYYPFJDM-AREMUKBSSA-N -1 0 488.584 6.162 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccc(C)cc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900803 563086077 /nfs/dbraw/zinc/08/60/77/563086077.db2.gz SXMIDYNDXXPCOZ-VWLOTQADSA-N -1 0 474.557 5.854 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccc(F)c(F)c2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900848 563086111 /nfs/dbraw/zinc/08/61/11/563086111.db2.gz MPBHLZVPTIMFPK-XMMPIXPASA-N -1 0 496.510 5.824 1 0 JKAFRM CCc1cc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)ccc1CCC(=O)[O-] ZINC000028902576 563086290 /nfs/dbraw/zinc/08/62/90/563086290.db2.gz DZGGIZKLDYAZKG-UHFFFAOYSA-N -1 0 460.599 5.962 1 0 JKAFRM O=C([O-])CCc1ccc(OCCN(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)cc1 ZINC000028902558 563086292 /nfs/dbraw/zinc/08/62/92/563086292.db2.gz PJKMLIBDKWPXDF-UHFFFAOYSA-N -1 0 466.990 6.053 1 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(Br)cc(Br)c2)cc1)C(=O)[O-] ZINC000028948386 563086636 /nfs/dbraw/zinc/08/66/36/563086636.db2.gz FVNMATFYGNOSRW-RTLBZRNLSA-N -1 0 484.184 5.336 1 0 JKAFRM CCc1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000028948782 563086652 /nfs/dbraw/zinc/08/66/52/563086652.db2.gz OVSRJGILQQUNBM-UHFFFAOYSA-N -1 0 474.556 7.973 1 0 JKAFRM Cn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000028948675 563086666 /nfs/dbraw/zinc/08/66/66/563086666.db2.gz KMHLLIVOKPLPEQ-UHFFFAOYSA-N -1 0 460.533 6.552 1 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000028948388 563086667 /nfs/dbraw/zinc/08/66/67/563086667.db2.gz BVMXQQASLFJCNS-RTLBZRNLSA-N -1 0 462.386 5.849 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)[O-])Cc2cc3ccccc3[nH]2)c1 ZINC000028949125 563086738 /nfs/dbraw/zinc/08/67/38/563086738.db2.gz YNXRFWZPBMIXCH-UHFFFAOYSA-N -1 0 495.579 5.840 1 0 JKAFRM Cc1nc(-c2ccc(-c3ccccc3)cc2)n(C)c1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028951996 563087396 /nfs/dbraw/zinc/08/73/96/563087396.db2.gz SXMOEADUOSQYFU-VWLOTQADSA-N -1 0 466.581 6.189 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@H]4C[C@H]4C(=O)[O-])ccc3OCC(F)(F)F)cc21 ZINC000028952270 563087450 /nfs/dbraw/zinc/08/74/50/563087450.db2.gz HMXAWPKQULWZCR-IEBWSBKVSA-N -1 0 475.507 5.825 1 0 JKAFRM Cc1cc2c(cc1-c1cc(CCC(=O)[O-])ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952252 563087484 /nfs/dbraw/zinc/08/74/84/563087484.db2.gz RFHVLSGFUPUPBL-UHFFFAOYSA-N -1 0 463.496 6.001 1 0 JKAFRM Cc1cc2c(cc1-c1cc([C@@H]3C[C@H]3C(=O)[O-])ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952282 563087486 /nfs/dbraw/zinc/08/74/86/563087486.db2.gz NFXPYYBQFZMOPD-PKOBYXMFSA-N -1 0 475.507 6.171 1 0 JKAFRM CCN1C(=O)CN(C(C)C)c2cc(C)c(-c3cc(/C=C/C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952506 563087552 /nfs/dbraw/zinc/08/75/52/563087552.db2.gz CMRPBWBTLWJJTM-VQHVLOKHSA-N -1 0 462.468 5.240 1 0 JKAFRM CCN1C(=O)C(C)(C)Oc2cc(C)c(-c3cc(/C(C)=C/C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952640 563087655 /nfs/dbraw/zinc/08/76/55/563087655.db2.gz HJTWCLJBRWHWTA-JLHYYAGUSA-N -1 0 463.452 5.572 1 0 JKAFRM COc1ccc(-n2nc(/C=C(/C(=O)[O-])c3ccc(Cl)cc3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963304 563089130 /nfs/dbraw/zinc/08/91/30/563089130.db2.gz DPTBKEPTCIWZME-FYJGNVAPSA-N -1 0 499.781 7.133 1 0 JKAFRM COc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)[C@@H]4CCC[C@H]4C(=O)[O-])cc3)cc2F)cc1 ZINC000028964625 563089289 /nfs/dbraw/zinc/08/92/89/563089289.db2.gz DNQIMMFBUCNLFX-FGZHOGPDSA-N -1 0 476.504 5.829 1 0 JKAFRM CCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971933 563089685 /nfs/dbraw/zinc/08/96/85/563089685.db2.gz FGADWAMIKFXIIG-KRWDZBQOSA-N -1 0 498.592 6.275 1 0 JKAFRM CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971907 563089709 /nfs/dbraw/zinc/08/97/09/563089709.db2.gz PCUNZQFECZBOOY-MRXNPFEDSA-N -1 0 468.497 5.172 1 0 JKAFRM CCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971960 563089718 /nfs/dbraw/zinc/08/97/18/563089718.db2.gz PWWVAJIRZRPBSD-SFHVURJKSA-N -1 0 496.551 5.952 1 0 JKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1C)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972155 563089784 /nfs/dbraw/zinc/08/97/84/563089784.db2.gz AUOVXHGBDNWWAF-KRWDZBQOSA-N -1 0 496.551 5.870 1 0 JKAFRM CCCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972095 563089792 /nfs/dbraw/zinc/08/97/92/563089792.db2.gz WJUQFNQTBCRQQU-XMMPIXPASA-N -1 0 497.705 6.290 1 0 JKAFRM CC(C)(C)c1ccc(NC(=O)Nc2ccccc2Oc2cc(C(=O)[O-])nn2-c2ccccc2)cc1 ZINC000029045696 563092343 /nfs/dbraw/zinc/09/23/43/563092343.db2.gz MHEXNTDQSGFDLC-UHFFFAOYSA-N -1 0 470.529 6.304 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc3ccccc3c1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000029053214 563093201 /nfs/dbraw/zinc/09/32/01/563093201.db2.gz CZNQQZQVEALVEH-MRXNPFEDSA-N -1 0 469.559 5.450 1 0 JKAFRM CCS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000029054077 563093392 /nfs/dbraw/zinc/09/33/92/563093392.db2.gz JCIZCXSQEPUPAQ-GFCCVEGCSA-N -1 0 467.971 5.341 1 0 JKAFRM Cc1cc(SCCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029057808 563093619 /nfs/dbraw/zinc/09/36/19/563093619.db2.gz OMEMFMWVEOSCFL-UHFFFAOYSA-N -1 0 482.549 6.109 1 0 JKAFRM Cc1cc(SCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029058249 563093781 /nfs/dbraw/zinc/09/37/81/563093781.db2.gz ODCHEZKQADNMGG-UHFFFAOYSA-N -1 0 469.415 6.355 1 0 JKAFRM COc1cc(-c2nnc(-c3ccc([O-])c(Cl)c3)o2)cc(OC)c1OCc1ccc(C(C)C)cc1 ZINC000029126359 563095197 /nfs/dbraw/zinc/09/51/97/563095197.db2.gz MAEYIJZPWVYGDQ-UHFFFAOYSA-N -1 0 480.948 6.482 1 0 JKAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](Sc4ccc(/C=C/C(=O)[O-])cc4)[C@H]3[C@@H]1CC[C@@H]2O ZINC000029314314 563099908 /nfs/dbraw/zinc/09/99/08/563099908.db2.gz YIZXBSNGLJKBHP-CWNSALFVSA-N -1 0 450.600 5.478 1 0 JKAFRM Cc1oc(-c2cc3ccccc3s2)nc1COc1ccc(CCC[C@H]2OC(=O)[N-]C2=O)cc1 ZINC000029322275 563100225 /nfs/dbraw/zinc/10/02/25/563100225.db2.gz XCTBHBDICLJECX-HXUWFJFHSA-N -1 0 462.527 5.401 1 0 JKAFRM C/C(=C\C(=O)[O-])c1cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3OCC(F)(F)F)c2o1 ZINC000029337432 563100847 /nfs/dbraw/zinc/10/08/47/563100847.db2.gz ONPFJJWQNMOTPL-CXUHLZMHSA-N -1 0 460.492 7.776 1 0 JKAFRM CCCc1c(OCCCSc2ccc([C@H](O)[C@@H](C)CC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000029337510 563100860 /nfs/dbraw/zinc/10/08/60/563100860.db2.gz YNHQJUJPBNEXHQ-UPCLLVRISA-N -1 0 460.592 5.253 1 0 JKAFRM C/C(=C(/F)C(=O)[O-])c1cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3OCC(F)F)c2o1 ZINC000029339034 563100888 /nfs/dbraw/zinc/10/08/88/563100888.db2.gz XBEQADTVYAUNQN-HAHDFKILSA-N -1 0 460.492 7.776 1 0 JKAFRM COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4ccc(C(=O)[O-])cc4)CC[C@@H]3C2(C)C)cc1 ZINC000029394918 563102084 /nfs/dbraw/zinc/10/20/84/563102084.db2.gz CPLZCQKSIZNHOD-VCHQRZIOSA-N -1 0 450.619 6.764 1 0 JKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000029402658 563102564 /nfs/dbraw/zinc/10/25/64/563102564.db2.gz HMLXINXDKPDSCN-AUNCNRQHSA-N -1 0 455.982 5.623 1 0 JKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(cc3C(=O)[O-])C[C@H](O)CC[C@H](C)CCC[C@@]21C ZINC000029406227 563102889 /nfs/dbraw/zinc/10/28/89/563102889.db2.gz STXMFQXJBAKHCC-RSSDNEHXSA-N -1 0 456.711 7.851 1 0 JKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(cc3C(=O)[O-])CC(=O)CC[C@@H](C)CCC[C@@]21C ZINC000029409179 563103112 /nfs/dbraw/zinc/10/31/12/563103112.db2.gz RDSUPBNWZZGNKW-PGKJIKOYSA-N -1 0 454.695 8.059 1 0 JKAFRM O=C([O-])c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(Cl)cc1)[C@H]2O ZINC000029475548 563104820 /nfs/dbraw/zinc/10/48/20/563104820.db2.gz GVCVKQAODRWJLT-OYHNWAKOSA-N -1 0 462.851 6.009 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc21 ZINC000029477835 563105018 /nfs/dbraw/zinc/10/50/18/563105018.db2.gz WZUVOCKFPOGRAV-UHFFFAOYSA-N -1 0 490.559 6.245 1 0 JKAFRM COCCn1cc(Cc2ccc(C(=O)[O-])cc2OC)c2cc(NC(=O)OC3CCCC3)ccc21 ZINC000029478664 563105092 /nfs/dbraw/zinc/10/50/92/563105092.db2.gz DRUWEJSFTOZQTL-UHFFFAOYSA-N -1 0 466.534 5.076 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCOc1c(C(C)=O)ccc(OCC(=O)[O-])c1CCC ZINC000029478746 563105095 /nfs/dbraw/zinc/10/50/95/563105095.db2.gz OQPOGDKQGUSHKZ-UHFFFAOYSA-N -1 0 486.561 5.014 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(Cc2ccccc2)c2ccc(NC(=O)CC3CCCC3)cc12 ZINC000029480929 563105351 /nfs/dbraw/zinc/10/53/51/563105351.db2.gz VTSBNECDDHBWDE-UHFFFAOYSA-N -1 0 496.607 6.506 1 0 JKAFRM CCCCCC(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)[O-])cc1OC)cn2Cc1ccccc1 ZINC000029482013 563105359 /nfs/dbraw/zinc/10/53/59/563105359.db2.gz ISWZUPBEBHCZCJ-UHFFFAOYSA-N -1 0 484.596 6.506 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000029484989 563105587 /nfs/dbraw/zinc/10/55/87/563105587.db2.gz TXLITTKQEGRQKY-CUTDYVBPSA-N -1 0 469.710 6.741 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000029484986 563105590 /nfs/dbraw/zinc/10/55/90/563105590.db2.gz TXLITTKQEGRQKY-FYEZAOLUSA-N -1 0 469.710 6.741 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CN(C(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000029546125 563105886 /nfs/dbraw/zinc/10/58/86/563105886.db2.gz NWKIDCOVKXDFRT-XMMPIXPASA-N -1 0 497.576 5.391 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CN(C(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000029546123 563105956 /nfs/dbraw/zinc/10/59/56/563105956.db2.gz NWKIDCOVKXDFRT-DEOSSOPVSA-N -1 0 497.576 5.391 1 0 JKAFRM [O-]c1c(Br)cc(Br)cc1-c1n[nH]c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000029566469 563107413 /nfs/dbraw/zinc/10/74/13/563107413.db2.gz SLTCJAKYDIJMRV-UHFFFAOYSA-N -1 0 463.944 5.676 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-] ZINC000034013659 563111694 /nfs/dbraw/zinc/11/16/94/563111694.db2.gz UILQHUKSFUOOLH-ABWNVCESSA-N -1 0 456.711 7.400 1 0 JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@@H]2[C@]1(C)CC3 ZINC000034172548 563112354 /nfs/dbraw/zinc/11/23/54/563112354.db2.gz BHVJSLPLFOAMEV-UNWYWBRGSA-N -1 0 456.711 7.378 1 0 JKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000034359096 563113413 /nfs/dbraw/zinc/11/34/13/563113413.db2.gz CMBNVUGJWXGNBN-UHFFFAOYSA-N -1 0 492.519 5.352 1 0 JKAFRM CCCOC(=O)N1CCc2c(OCCc3nc(-c4ccccc4)oc3C)ccc(CCC(=O)[O-])c2C1 ZINC000034471017 563113674 /nfs/dbraw/zinc/11/36/74/563113674.db2.gz WVKGGZXCUUYLIT-UHFFFAOYSA-N -1 0 492.572 5.193 1 0 JKAFRM Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)[O-])c3ncnn3C)cc2)c1 ZINC000034603311 563114047 /nfs/dbraw/zinc/11/40/47/563114047.db2.gz VYJGZGJDHXRHEK-DEOSSOPVSA-N -1 0 461.949 5.630 1 0 JKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C3CCCCC3)cc2Cl)cc1)C(=O)[O-] ZINC000034717658 563114692 /nfs/dbraw/zinc/11/46/92/563114692.db2.gz NGDLNDXURJLNCZ-MHZLTWQESA-N -1 0 459.026 7.279 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(C)c1ccc(CC(=O)[O-])cc1C ZINC000034717668 563114717 /nfs/dbraw/zinc/11/47/17/563114717.db2.gz GZAPSISRDWGGFB-UHFFFAOYSA-N -1 0 464.484 5.640 1 0 JKAFRM CCc1ccc(OCCCOc2ccc(OC(C)(C)C(=O)[O-])cc2)c(C(=O)c2ccccc2)c1 ZINC000034717701 563114781 /nfs/dbraw/zinc/11/47/81/563114781.db2.gz AFQIAKAIRKBLKC-UHFFFAOYSA-N -1 0 462.542 5.570 1 0 JKAFRM CCc1ccc(O[C@H](CC)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(C(=O)c2ccccc2)c1 ZINC000034717714 563114786 /nfs/dbraw/zinc/11/47/86/563114786.db2.gz KEUWMDZMXVQKJB-RUZDIDTESA-N -1 0 474.597 6.432 1 0 JKAFRM Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc([C@H]3C[C@@H]3C(=O)[O-])cc2)c1 ZINC000034894213 563117487 /nfs/dbraw/zinc/11/74/87/563117487.db2.gz GZTLJDMYNSOBKK-SXOMAYOGSA-N -1 0 472.581 6.153 1 0 JKAFRM Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc([C@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000034894215 563117492 /nfs/dbraw/zinc/11/74/92/563117492.db2.gz GZTLJDMYNSOBKK-KAYWLYCHSA-N -1 0 472.581 6.153 1 0 JKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccc(Br)cc3)c2c1 ZINC000035079421 563118877 /nfs/dbraw/zinc/11/88/77/563118877.db2.gz PBVWSCLYHHEDGY-GFCCVEGCSA-N -1 0 492.778 5.636 1 0 JKAFRM O=C([O-])c1c(O)c(Cc2ccc(Cl)cc2)nc2c1ccc1c2CN(C(=O)c2ccccc2)CC1 ZINC000035087127 563119100 /nfs/dbraw/zinc/11/91/00/563119100.db2.gz RRZWASDCKOCSFY-UHFFFAOYSA-N -1 0 472.928 5.081 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2[C@H]2C[C@@]2(C(=O)N2CCOCC2)C1 ZINC000035278775 563119906 /nfs/dbraw/zinc/11/99/06/563119906.db2.gz SBFKGFBVADYQPX-AYWVHJORSA-N -1 0 484.596 5.400 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)Cc6nonc6C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000035570613 563120229 /nfs/dbraw/zinc/12/02/29/563120229.db2.gz PVMMAUQTRBJOMP-XFROAJCPSA-N -1 0 480.693 6.970 1 0 JKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H]1CCCN(c2cccc(C(=O)[O-])c2)C1 ZINC000035802070 563120372 /nfs/dbraw/zinc/12/03/72/563120372.db2.gz GKPPMMTUGMWNMR-MRXNPFEDSA-N -1 0 469.994 5.117 1 0 JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C(=O)[O-])C1(C)C ZINC000036088469 563121947 /nfs/dbraw/zinc/12/19/47/563121947.db2.gz IQYUEJTVDLHZDJ-HEWWSNOBSA-N -1 0 498.748 7.804 1 0 in-vivo JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(-c3ccccc3)c2)cc1 ZINC000036160061 563122929 /nfs/dbraw/zinc/12/29/29/563122929.db2.gz FBSYWZQEXIMEQD-WUFINQPMSA-N -1 0 471.597 5.359 1 0 JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036160015 563122935 /nfs/dbraw/zinc/12/29/35/563122935.db2.gz SDEZJSYVFCHZOB-IZZNHLLZSA-N -1 0 487.596 5.485 1 0 JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2ccccc2-c2ccccc2)s1 ZINC000036160039 563122938 /nfs/dbraw/zinc/12/29/38/563122938.db2.gz PJXYETJBFXBRRJ-XZOQPEGZSA-N -1 0 477.626 5.421 1 0 JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@H](O)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036160020 563122960 /nfs/dbraw/zinc/12/29/60/563122960.db2.gz SDEZJSYVFCHZOB-UIOOFZCWSA-N -1 0 487.596 5.485 1 0 JKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccc(CCCC)cc1-c1ccc(Cn2ccnc2)cc1 ZINC000036176310 563123273 /nfs/dbraw/zinc/12/32/73/563123273.db2.gz GBEQXAUICOYZNL-UHFFFAOYSA-N -1 0 469.607 5.156 1 0 JKAFRM CC(C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1 ZINC000036184811 563123752 /nfs/dbraw/zinc/12/37/52/563123752.db2.gz XUXKURHNQOEDOH-UHFFFAOYSA-N -1 0 495.272 5.951 1 0 JKAFRM O=C([O-])C[C@H]1CCCc2c3cccc([S@@](=O)Cc4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190309 563124140 /nfs/dbraw/zinc/12/41/40/563124140.db2.gz YXACEIROLMUHRO-JTMIDMFHSA-N -1 0 492.040 6.545 1 0 JKAFRM CCCCc1ncc(/C=C(/C(=O)[O-])[C@H](c2cccs2)c2ccccc2)n1Cc1ccccc1Cl ZINC000036222439 563124519 /nfs/dbraw/zinc/12/45/19/563124519.db2.gz HTCAJSFSZCDKNO-NWJPQEHXSA-N -1 0 491.056 7.289 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@]2(CC(=O)[O-])CC(=O)c3ccccc32)cc1 ZINC000036222499 563124647 /nfs/dbraw/zinc/12/46/47/563124647.db2.gz BDZLHOMFMSLJRY-LJAQVGFWSA-N -1 0 467.569 5.396 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(C2=C(C(=O)[O-])[C@@H](C)c3ccccc32)cc1 ZINC000036222527 563124653 /nfs/dbraw/zinc/12/46/53/563124653.db2.gz YQEUKGSLGININM-IBGZPJMESA-N -1 0 451.570 6.053 1 0 JKAFRM O=C([O-])CCS[C@H](CCc1ccccc1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268534 563124994 /nfs/dbraw/zinc/12/49/94/563124994.db2.gz HGPNOCWAHWOYFE-HHHXNRCGSA-N -1 0 492.040 7.349 1 0 JKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)n2C1CCCC1 ZINC000036350375 563126781 /nfs/dbraw/zinc/12/67/81/563126781.db2.gz ZMTSLLYEGJFCFO-UHFFFAOYSA-N -1 0 481.379 7.402 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2N(Cc2ccccc2)CC1 ZINC000036350482 563126880 /nfs/dbraw/zinc/12/68/80/563126880.db2.gz XGOACMWDNFHNOD-UHFFFAOYSA-N -1 0 450.582 7.074 1 0 JKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387358 563129237 /nfs/dbraw/zinc/12/92/37/563129237.db2.gz NSQIHEUDWRDCBR-ZCYQVOJMSA-N -1 0 498.000 5.545 3 0 JKAFRM CC(C)c1onc(-c2cccc(CC(=O)[O-])c2)c1C(=O)NCCOc1ccc(Cl)cc1Cl ZINC000037866942 563131124 /nfs/dbraw/zinc/13/11/24/563131124.db2.gz VGDVHUHMEGINCY-UHFFFAOYSA-N -1 0 477.344 5.208 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCn1cnc2cc(CC(=O)[O-])ccc21 ZINC000037866923 563131129 /nfs/dbraw/zinc/13/11/29/563131129.db2.gz GMKDRYOJWQXLTE-UHFFFAOYSA-N -1 0 461.440 5.245 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(C(C)=O)c1ccc(CC(=O)[O-])cc1 ZINC000038157667 563132867 /nfs/dbraw/zinc/13/28/67/563132867.db2.gz SLRGUWIZSZEQFR-UHFFFAOYSA-N -1 0 478.467 5.248 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C2CCCC2)c(C)c1 ZINC000038227223 563133382 /nfs/dbraw/zinc/13/33/82/563133382.db2.gz PTLMRHVAGWFRJQ-VWLOTQADSA-N -1 0 473.573 5.782 1 0 JKAFRM CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000038347780 563133975 /nfs/dbraw/zinc/13/39/75/563133975.db2.gz NBSBUIQBEPROBM-ZEEJYZGTSA-N -1 0 456.711 7.544 1 0 JKAFRM O=C([O-])[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000038361933 563134055 /nfs/dbraw/zinc/13/40/55/563134055.db2.gz QPNLEHURVTXWKF-NRFANRHFSA-N -1 0 481.495 6.010 1 0 JKAFRM CCCCc1nc(Cl)c2n1[C@@H](c1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CC=C2C(=O)[O-] ZINC000038576084 563135148 /nfs/dbraw/zinc/13/51/48/563135148.db2.gz SFHONCGPVWPLGC-HXUWFJFHSA-N -1 0 474.952 5.187 1 0 JKAFRM C[C@@]1(c2ccc(O)cc2)c2cc(C(=O)[O-])sc2C(=O)c2c1c1ccccc1n2Cc1ccccc1 ZINC000038803114 563135530 /nfs/dbraw/zinc/13/55/30/563135530.db2.gz LGSAGLNXNFFWPT-GDLZYMKVSA-N -1 0 479.557 6.054 1 0 JKAFRM CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000038942161 563135817 /nfs/dbraw/zinc/13/58/17/563135817.db2.gz JYBGGQMQVGIZRB-AKQGLDKGSA-N -1 0 470.694 6.723 1 0 JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000038992417 563135971 /nfs/dbraw/zinc/13/59/71/563135971.db2.gz HDWVISPHUGFDMW-IITIDZKMSA-N -1 0 452.679 7.362 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000039071068 563136173 /nfs/dbraw/zinc/13/61/73/563136173.db2.gz DICFMPCEXYENLE-OGHVSZAPSA-N -1 0 486.693 5.385 1 0 in-vivo JKAFRM CCn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCc1ccc(OC(C)(C)C(=O)[O-])c(C)c1 ZINC000040379961 563137385 /nfs/dbraw/zinc/13/73/85/563137385.db2.gz OTOWLPBTZHONBE-UHFFFAOYSA-N -1 0 477.605 5.348 1 0 JKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@@]5(C(=O)[O-])CCC(C)(C)C[C@@H]45)[C@]3(C)CC[C@@H]2C1(C)C ZINC000040392502 563138025 /nfs/dbraw/zinc/13/80/25/563138025.db2.gz WXKHJCDACFREHC-VEZKCLADSA-N -1 0 484.721 7.414 1 0 JKAFRM CO[C@@H]1O[C@H](OC)C=C1CCC/C(C)=C\CC/C(C)=C\CC[C@@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000040394366 563138697 /nfs/dbraw/zinc/13/86/97/563138697.db2.gz DWEDIMJGKRGQNM-ZXQCDPRLSA-N -1 0 460.611 6.420 1 0 JKAFRM CO[C@H]1C=C(CCC/C(C)=C\CC/C(C)=C\CC[C@@H](C)C=C2OC(=O)C(C)=C2[O-])[C@@H](OC)O1 ZINC000040394363 563138700 /nfs/dbraw/zinc/13/87/00/563138700.db2.gz DWEDIMJGKRGQNM-UQPQICDNSA-N -1 0 460.611 6.420 1 0 JKAFRM CO[C@@H]1C=C(CCC/C(C)=C\CC/C(C)=C\CC[C@@H](C)C=C2OC(=O)C(C)=C2[O-])[C@@H](OC)O1 ZINC000040394364 563138706 /nfs/dbraw/zinc/13/87/06/563138706.db2.gz DWEDIMJGKRGQNM-FAYUJQGGSA-N -1 0 460.611 6.420 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1ccc(OCCCCOc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000040402184 563139558 /nfs/dbraw/zinc/13/95/58/563139558.db2.gz GPMIDIVVXHTRER-UHFFFAOYSA-N -1 0 489.612 5.185 1 0 JKAFRM COc1ccccc1-c1nc(CCOc2ccc(C[C@@H](OC)C(=O)[O-])c3sccc32)c(C)o1 ZINC000040411392 563140779 /nfs/dbraw/zinc/14/07/79/563140779.db2.gz FTOIHKCLBGVEEC-JOCHJYFZSA-N -1 0 467.543 5.137 1 0 JKAFRM CC(C)(O)[C@@H](O)CC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000040412504 563140982 /nfs/dbraw/zinc/14/09/82/563140982.db2.gz GCGLPSVDVGXRFN-AMKDLFIQSA-N -1 0 488.709 5.918 1 0 in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@@H]2C1 ZINC000040413038 563141077 /nfs/dbraw/zinc/14/10/77/563141077.db2.gz KNEXUHUBWRLDNK-MKLORTINSA-N -1 0 470.694 6.125 1 0 JKAFRM CC(C)=CCc1ccc(-c2oc3c(CC=C(C)C)c([O-])c(CC=C(C)C)c(O)c3c(=O)c2O)cc1O ZINC000040422954 563142036 /nfs/dbraw/zinc/14/20/36/563142036.db2.gz BHIMYJSCHPQEQT-UHFFFAOYSA-N -1 0 490.596 6.809 1 0 in-vitro JKAFRM CCCCC1(CCCC)OC(c2cc(C)cc(C)c2)=NN1C(=O)[N-]C(=O)c1c(F)cccc1F ZINC000040429022 563143227 /nfs/dbraw/zinc/14/32/27/563143227.db2.gz YCQQYCTYLHQLQT-UHFFFAOYSA-N -1 0 471.548 6.202 1 0 JKAFRM O=C([O-])c1ccc(-c2ccc(Cc3c(=O)c4ccccc4oc3-c3ccc(O)cc3)cc2)cc1O ZINC000040429606 563143340 /nfs/dbraw/zinc/14/33/40/563143340.db2.gz RLZLKCASKCHDTQ-UHFFFAOYSA-N -1 0 464.473 5.827 1 0 JKAFRM O=C([O-])c1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)cc1 ZINC000040576250 563146517 /nfs/dbraw/zinc/14/65/17/563146517.db2.gz DXMIYIOTJIKIJV-UHFFFAOYSA-N -1 0 497.334 5.822 1 0 JKAFRM COc1ccc(Cn2c3ccccc3c3c2C(=O)c2sc(C(=O)[O-])cc2[C@]3(C)c2ccccc2)cc1 ZINC000040641134 563147299 /nfs/dbraw/zinc/14/72/99/563147299.db2.gz RLQGOQYJANTVIP-PMERELPUSA-N -1 0 493.584 6.357 1 0 JKAFRM COc1cccc([C@]2(C)c3cc(C(=O)[O-])sc3C(=O)c3c2c2ccccc2n3Cc2ccccc2)c1 ZINC000040640818 563147318 /nfs/dbraw/zinc/14/73/18/563147318.db2.gz VCWWTJPOSIFWSW-SSEXGKCCSA-N -1 0 493.584 6.357 1 0 JKAFRM COc1c(Br)c([O-])c(Br)c2c1C(=O)O[C@@H](C)CCCCCCC2 ZINC000040763339 563148039 /nfs/dbraw/zinc/14/80/39/563148039.db2.gz UHGUHKDMVJMYCG-JTQLQIEISA-N -1 0 450.167 5.368 1 0 JKAFRM CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2F)c1)C(=O)[O-] ZINC000040847340 563149367 /nfs/dbraw/zinc/14/93/67/563149367.db2.gz KSIQZOUSAASEIJ-CRHMBOCVSA-N -1 0 493.619 5.885 1 0 JKAFRM Cc1cc(SC/C(=C/c2ccccc2)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000040860845 563150023 /nfs/dbraw/zinc/15/00/23/563150023.db2.gz IDRJKPPZPRNMNT-XSFVSMFZSA-N -1 0 488.527 6.732 1 0 JKAFRM Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1ccc(F)c(O[C@@H](C)C(=O)[O-])c1 ZINC000040865740 563151016 /nfs/dbraw/zinc/15/10/16/563151016.db2.gz FPJDTUYZSJZOJL-AWEZNQCLSA-N -1 0 472.875 5.969 1 0 JKAFRM CCn1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)[O-])c(OC)c2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000040866603 563151218 /nfs/dbraw/zinc/15/12/18/563151218.db2.gz RRZTUCGMIFUIDD-UHFFFAOYSA-N -1 0 493.604 5.048 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000040891578 563153063 /nfs/dbraw/zinc/15/30/63/563153063.db2.gz LZSPMCXLIBZRHM-SANMLTNESA-N -1 0 487.600 6.172 1 0 JKAFRM C/C(=C\CC[C@@H](C)[C@]1(C)CC[C@]2(C)C1=CC[C@@]1(O)[C@H]2CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C)C(=O)[O-] ZINC000040895324 563153761 /nfs/dbraw/zinc/15/37/61/563153761.db2.gz GBEVCPIJOYQRAL-DHEFQOKPSA-N -1 0 472.710 6.515 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2c(C(=O)[O-])cnn2-c2ccccc2)c1 ZINC000040897625 563154142 /nfs/dbraw/zinc/15/41/42/563154142.db2.gz QLSURSTUZJVSGU-UHFFFAOYSA-N -1 0 479.536 5.746 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)cc2C(=O)[O-])c1 ZINC000040899060 563154419 /nfs/dbraw/zinc/15/44/19/563154419.db2.gz DJDORMUXCXEIFS-UHFFFAOYSA-N -1 0 479.536 5.746 1 0 JKAFRM O=C([O-])C[C@@H]1CCn2c3ccnc(-c4ccccc4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040913941 563155011 /nfs/dbraw/zinc/15/50/11/563155011.db2.gz FBPAMNUCEXQEIR-HNNXBMFYSA-N -1 0 469.393 7.123 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C2CCOCC2)c(C)c1 ZINC000040919076 563156587 /nfs/dbraw/zinc/15/65/87/563156587.db2.gz FILJYSXRNCVZKZ-VWLOTQADSA-N -1 0 489.572 5.019 1 0 JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@](C)(CC[C@@H](O)[C@]4(C)CO)[C@H]3CC[C@@]12C ZINC000040933332 563156840 /nfs/dbraw/zinc/15/68/40/563156840.db2.gz NWCRCEJGWLWBDH-NLTIPYINSA-N -1 0 472.710 6.372 1 0 JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@]4(C)CO)[C@H]3CC[C@@]12C ZINC000040933665 563156953 /nfs/dbraw/zinc/15/69/53/563156953.db2.gz NWCRCEJGWLWBDH-NVWYCCQMSA-N -1 0 472.710 6.372 1 0 JKAFRM C[C@@]1(CO)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000040951332 563159561 /nfs/dbraw/zinc/15/95/61/563159561.db2.gz LQETVSULLNKTKF-YSKPPUCTSA-N -1 0 488.709 5.178 1 0 JKAFRM C/C(=C\CC[C@H](C)[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(=O)[O-] ZINC000042878580 563163178 /nfs/dbraw/zinc/16/31/78/563163178.db2.gz PSSOTMPEBLYOAS-MGULVPRESA-N -1 0 470.738 7.790 1 0 in-vivo JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(Br)c(Cl)c1 ZINC000043123244 563167696 /nfs/dbraw/zinc/16/76/96/563167696.db2.gz MOSJOMSOHFJKFF-UHFFFAOYSA-N -1 0 485.837 6.242 1 0 JKAFRM C[C@H](NC(=O)c1cccc2ccn(Cc3cccc(C(F)(F)F)c3)c21)c1ccc(C(=O)[O-])cc1 ZINC000043175186 563168146 /nfs/dbraw/zinc/16/81/46/563168146.db2.gz OJSYHQJJZVGGBN-INIZCTEOSA-N -1 0 466.459 5.898 1 0 JKAFRM C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3cccc(Cl)c3)c21)c1ccc(C(=O)[O-])cc1 ZINC000043175195 563168151 /nfs/dbraw/zinc/16/81/51/563168151.db2.gz LFJXCZVMRYLIQY-HNNXBMFYSA-N -1 0 467.352 6.186 1 0 JKAFRM O=C([O-])C[C@@H]1CCc2c3cc(-c4noc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)n4)ccc3[nH]c21 ZINC000043206582 563168762 /nfs/dbraw/zinc/16/87/62/563168762.db2.gz CCLTTWWUBZAGLM-JTQLQIEISA-N -1 0 495.379 6.427 1 0 JKAFRM COc1ccc(CC(=O)[O-])cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2ccccc2)[C@@H]1C ZINC000043207371 563168835 /nfs/dbraw/zinc/16/88/35/563168835.db2.gz ICMOGANJAUQPKT-LMKMVOKYSA-N -1 0 499.485 6.090 1 0 JKAFRM C/C(=N/O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000043274132 563169080 /nfs/dbraw/zinc/16/90/80/563169080.db2.gz MRFULNFRQXSHLO-LSXLGBCRSA-N -1 0 473.698 6.364 1 0 JKAFRM C/C1=C/C=C/C[C@@H]([C@@H]2CCC[C@H]2C(=O)[O-])OC(=O)C[C@H](O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)[C@H]1O ZINC000043552738 563170388 /nfs/dbraw/zinc/17/03/88/563170388.db2.gz UBTZYTXXERXINX-UBXAVOFNSA-N -1 0 478.670 5.132 1 0 JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](O)[C@]4(C)C(=O)[O-])[C@H]3CC[C@H]21 ZINC000044351608 563172194 /nfs/dbraw/zinc/17/21/94/563172194.db2.gz KJEMTTTXNNLOSG-AHVWWDOUSA-N -1 0 490.725 5.399 1 0 JKAFRM C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@@]4(C)C(=O)[O-] ZINC000044417239 563172656 /nfs/dbraw/zinc/17/26/56/563172656.db2.gz FHXLGIIQMAKDCP-CHXITZBTSA-N -1 0 488.709 5.175 1 0 JKAFRM Cc1cccc(Cl)c1[N-]c1nnc(-c2cccc(C(=O)NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)c2)o1 ZINC000045226850 563179784 /nfs/dbraw/zinc/17/97/84/563179784.db2.gz TXSFTGHMADDDEE-UFYCRDLUSA-N -1 0 464.997 6.244 1 0 JKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(/C=C/C[C@H](C)CCCC(C)C)O2 ZINC000045260259 563183145 /nfs/dbraw/zinc/18/31/45/563183145.db2.gz CDPVWGKXIIQQBP-NWODTQMASA-N -1 0 458.639 6.874 1 0 JKAFRM S=c1[n-]nc(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n1-c1ccccc1 ZINC000045285550 563183881 /nfs/dbraw/zinc/18/38/81/563183881.db2.gz FZBMKXGHYCJKBO-UHFFFAOYSA-N -1 0 468.405 5.659 1 0 JKAFRM CN(C)c1cc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])ccn1 ZINC000045337200 563190398 /nfs/dbraw/zinc/19/03/98/563190398.db2.gz HXGOZZCNWIRGDR-UHFFFAOYSA-N -1 0 465.525 5.357 1 0 JKAFRM CNc1cc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])ccn1 ZINC000045337198 563190405 /nfs/dbraw/zinc/19/04/05/563190405.db2.gz PJGJFJWOBRCMMD-UHFFFAOYSA-N -1 0 451.498 5.332 1 0 JKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccnc(N2CCC2)c1 ZINC000045337711 563190588 /nfs/dbraw/zinc/19/05/88/563190588.db2.gz QESHNZBJCSJXHC-UHFFFAOYSA-N -1 0 477.536 5.501 1 0 JKAFRM O=C([O-])CCc1ccc(COc2ccccc2)cc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000045339277 563191085 /nfs/dbraw/zinc/19/10/85/563191085.db2.gz WOEOAMPTNIVKGR-UHFFFAOYSA-N -1 0 465.549 5.802 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cc(F)cc(F)c1 ZINC000045356063 563192403 /nfs/dbraw/zinc/19/24/03/563192403.db2.gz REBKSXOXFFOVNC-AREMUKBSSA-N -1 0 481.539 6.078 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])c1 ZINC000045356759 563192491 /nfs/dbraw/zinc/19/24/91/563192491.db2.gz ALKDPZDQOKEMAM-MUUNZHRXSA-N -1 0 473.613 6.417 1 0 JKAFRM CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C\CCCCCCCCCCCCCCC(=O)[O-])C(=O)O1 ZINC000045364940 563192926 /nfs/dbraw/zinc/19/29/26/563192926.db2.gz TZEOOHWDASEHEY-VWTQUNACSA-N -1 0 482.658 5.726 1 0 JKAFRM O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)c2[nH]1 ZINC000045365457 563192995 /nfs/dbraw/zinc/19/29/95/563192995.db2.gz NYLDCXKBDXQHMN-UHFFFAOYSA-N -1 0 483.855 5.122 1 0 JKAFRM C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc2ccccc21 ZINC000045365338 563193009 /nfs/dbraw/zinc/19/30/09/563193009.db2.gz VPXMPIBOESHHAF-FQEVSTJZSA-N -1 0 453.538 5.927 1 0 JKAFRM C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc2ccccc21 ZINC000045366382 563193098 /nfs/dbraw/zinc/19/30/98/563193098.db2.gz VPXMPIBOESHHAF-HXUWFJFHSA-N -1 0 453.538 5.927 1 0 JKAFRM Cc1cccc(OCc2ccc(CCC(=O)[O-])c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 ZINC000045366794 563193150 /nfs/dbraw/zinc/19/31/50/563193150.db2.gz VQNOXGXKPGYDCD-GDLZYMKVSA-N -1 0 487.640 6.725 1 0 JKAFRM O=C([O-])c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045367204 563193203 /nfs/dbraw/zinc/19/32/03/563193203.db2.gz BKLGRJJDKXPKPX-UHFFFAOYSA-N -1 0 451.429 5.152 1 0 JKAFRM O=C([O-])c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1 ZINC000045367953 563193438 /nfs/dbraw/zinc/19/34/38/563193438.db2.gz BGASCMMYJZPCSS-UHFFFAOYSA-N -1 0 454.762 5.927 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000045368934 563193509 /nfs/dbraw/zinc/19/35/09/563193509.db2.gz LIHNAFWESVHZMA-AREMUKBSSA-N -1 0 480.004 6.453 1 0 JKAFRM COc1ccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1F ZINC000045386661 563194534 /nfs/dbraw/zinc/19/45/34/563194534.db2.gz WWXJECJLRYIVOD-SANMLTNESA-N -1 0 493.575 5.948 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc(Cl)c1 ZINC000045391186 563195096 /nfs/dbraw/zinc/19/50/96/563195096.db2.gz VPTKQCSHGRXJBG-SANMLTNESA-N -1 0 480.004 6.453 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(-c2nn(-c3ccccc3)nc2CC(=O)[O-])cc1 ZINC000045497897 563196096 /nfs/dbraw/zinc/19/60/96/563196096.db2.gz IAYVQXBDAKKDCF-UHFFFAOYSA-N -1 0 480.524 5.146 1 0 JKAFRM CC(=O)O[C@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)C1 ZINC000049015612 563197281 /nfs/dbraw/zinc/19/72/81/563197281.db2.gz LWVMOLORVNXHQN-LYQIAVTOSA-N -1 0 498.748 7.804 1 0 JKAFRM C[C@@]1(C(=O)[O-])CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049015350 563197304 /nfs/dbraw/zinc/19/73/04/563197304.db2.gz VVWRIMSHBALFKN-MXUJDEKRSA-N -1 0 472.710 6.206 1 0 JKAFRM CCCCOc1ccc(-c2ccc(C(=O)[O-])nc2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049032457 563198062 /nfs/dbraw/zinc/19/80/62/563198062.db2.gz RBUXBLQNKOTWJE-UHFFFAOYSA-N -1 0 490.453 5.714 1 0 JKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C[C@@H](O)C[C@]43C)[C@@H]2[C@H]1C ZINC000049033777 563198279 /nfs/dbraw/zinc/19/82/79/563198279.db2.gz DDHYEJNMSYDDTH-JJKIWFBPSA-N -1 0 456.711 7.090 1 0 in-vivo JKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(Cl)nc2)cc1 ZINC000049045871 563199338 /nfs/dbraw/zinc/19/93/38/563199338.db2.gz DIYVBANSZMJVDE-UHFFFAOYSA-N -1 0 496.972 5.885 1 0 JKAFRM O=C([O-])C1=C(NC(=O)CCc2ccc3cc(O)ccc3c2)CC[C@@H](c2cc(F)cc(F)c2)C1 ZINC000049047256 563199521 /nfs/dbraw/zinc/19/95/21/563199521.db2.gz JLQLVIVXNACQCA-GOSISDBHSA-N -1 0 451.469 5.179 1 0 JKAFRM O=C([O-])C1=C(NC(=O)CCc2ccc3cc(O)ccc3c2)CC[C@H](c2cc(F)cc(F)c2)C1 ZINC000049047260 563199525 /nfs/dbraw/zinc/19/95/25/563199525.db2.gz JLQLVIVXNACQCA-SFHVURJKSA-N -1 0 451.469 5.179 1 0 JKAFRM CS(=O)(=O)c1ccc(N(c2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)c2ccccc2)cc1 ZINC000049049952 563199821 /nfs/dbraw/zinc/19/98/21/563199821.db2.gz VPQSNFVAMFFBOP-UHFFFAOYSA-N -1 0 482.558 5.450 1 0 JKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)OC2CCC2)c1 ZINC000049072045 563201480 /nfs/dbraw/zinc/20/14/80/563201480.db2.gz DBKTZXWSVJBIFZ-UHFFFAOYSA-N -1 0 484.936 5.458 1 0 JKAFRM O=C([O-])CCC/C=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@H]2[C@H]1/C=C/C=C/C(=O)NCCc1ccccc1 ZINC000049089816 563201987 /nfs/dbraw/zinc/20/19/87/563201987.db2.gz QRWPHMHMPOYWGH-JUHMXDIUSA-N -1 0 459.630 6.044 1 0 JKAFRM CCCCOc1ccc(-c2ccccc2C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049109754 563202166 /nfs/dbraw/zinc/20/21/66/563202166.db2.gz KARAJRCNNSZCJI-UHFFFAOYSA-N -1 0 489.465 6.319 1 0 JKAFRM COc1ccccc1-n1c(=S)[n-]nc1Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000049112587 563202477 /nfs/dbraw/zinc/20/24/77/563202477.db2.gz VATFQDDIXQTXTI-UHFFFAOYSA-N -1 0 460.382 5.568 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@@H](CC1=NC(C(c3ccccc3)c3ccccc3)=NC1)C2 ZINC000049605974 563203075 /nfs/dbraw/zinc/20/30/75/563203075.db2.gz VVGYRKAOEFOGFR-HXUWFJFHSA-N -1 0 452.554 5.330 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCC[C@@H]3O[C@@]32c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000049769603 563203451 /nfs/dbraw/zinc/20/34/51/563203451.db2.gz XQSDEHHCLDLVST-JCAOREMYSA-N -1 0 481.548 6.109 1 0 JKAFRM Cc1cccc(Nc2ccc(CCC(=O)[O-])c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 ZINC000049781461 563203608 /nfs/dbraw/zinc/20/36/08/563203608.db2.gz ZZJHRDCBOAXDCW-MUUNZHRXSA-N -1 0 472.629 6.890 1 0 JKAFRM C[C@H]1C[C@@H](N(C(=O)CCCC(=O)[O-])c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049785681 563203807 /nfs/dbraw/zinc/20/38/07/563203807.db2.gz KBZFWHNDKMHXMD-NBGIEHNGSA-N -1 0 456.542 5.455 1 0 JKAFRM Cc1cc(OCc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1OCC(=O)[O-] ZINC000049792537 563203912 /nfs/dbraw/zinc/20/39/12/563203912.db2.gz TUUHILVKSYAKDX-UHFFFAOYSA-N -1 0 465.958 6.481 1 0 JKAFRM Cc1oc(-c2cccs2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000049820497 563204392 /nfs/dbraw/zinc/20/43/92/563204392.db2.gz KWSPYUOBNIMILB-SANMLTNESA-N -1 0 463.555 5.798 1 0 in-vitro JKAFRM Cn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000053014284 563204997 /nfs/dbraw/zinc/20/49/97/563204997.db2.gz JWBYOHPEBDBAKD-UHFFFAOYSA-N -1 0 459.549 6.585 1 0 JKAFRM CCCC[C@@H](Sc1nc(OCCC2CCCC2)cc(OCCC2CCCC2)n1)C(=O)[O-] ZINC000053296373 563205664 /nfs/dbraw/zinc/20/56/64/563205664.db2.gz ITLSBXVSQMLKTA-HXUWFJFHSA-N -1 0 450.645 6.130 1 0 JKAFRM CCCC[C@@H](Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(=O)[O-] ZINC000053297749 563205730 /nfs/dbraw/zinc/20/57/30/563205730.db2.gz SJXBBPZLCKFUGZ-XMMPIXPASA-N -1 0 494.657 6.235 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(C[P@@](=O)([O-])O)ccc4[C@H]3CC[C@]12C)C(C)C ZINC000058507449 563206772 /nfs/dbraw/zinc/20/67/72/563206772.db2.gz PQHLUSICXULINZ-XCVFGXLCSA-N -1 0 461.583 5.482 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2C(=O)[O-])c(Cl)c1Cl ZINC000058538066 563207014 /nfs/dbraw/zinc/20/70/14/563207014.db2.gz LBFPLUWTLKUUCU-FHWLQOOXSA-N -1 0 492.468 6.837 1 0 JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@@]1(C)CC3=O ZINC000058562898 563207283 /nfs/dbraw/zinc/20/72/83/563207283.db2.gz JIKRXLHICUVFAL-RHCNYNTOSA-N -1 0 486.649 5.526 1 0 JKAFRM CCCc1nc2cc([C@H](O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000058582370 563207816 /nfs/dbraw/zinc/20/78/16/563207816.db2.gz HVWYKEFPHHQLMD-SSEXGKCCSA-N -1 0 476.576 6.484 1 0 JKAFRM C/C(NNC(=S)c1ccc(C(=O)[O-])cc1)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccc(F)cc21 ZINC000058590770 563208087 /nfs/dbraw/zinc/20/80/87/563208087.db2.gz JVSJSQVZRRLKEV-KQWNVCNZSA-N -1 0 475.545 5.020 1 0 JKAFRM O=C([O-])c1ccnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c1C(F)(F)F ZINC000058631269 563208536 /nfs/dbraw/zinc/20/85/36/563208536.db2.gz IBJOOOLINRFFQW-UHFFFAOYSA-N -1 0 479.340 5.566 1 0 JKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(CCc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059275253 563209003 /nfs/dbraw/zinc/20/90/03/563209003.db2.gz AWWDAXZIFRBWCT-RUZDIDTESA-N -1 0 476.485 7.650 1 0 JKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(C)c2cc(F)cc(F)c2)c1 ZINC000059280251 563209044 /nfs/dbraw/zinc/20/90/44/563209044.db2.gz XJFMHIKZWYQQTC-XMMPIXPASA-N -1 0 477.473 7.633 1 0 JKAFRM Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000059570131 563209118 /nfs/dbraw/zinc/20/91/18/563209118.db2.gz FXGGUASZKJPIEA-AREMUKBSSA-N -1 0 494.587 7.079 1 0 JKAFRM Cc1c(C)c(C(=O)Nc2cc(CC(=O)[O-])ccc2Cl)ccc1OC[C@@H]1CN(C)c2ccccc2O1 ZINC000059648820 563209125 /nfs/dbraw/zinc/20/91/25/563209125.db2.gz ATEWBGFTNCNDLW-IBGZPJMESA-N -1 0 494.975 5.112 1 0 JKAFRM CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)[O-])c1 ZINC000169296141 569868186 /nfs/dbraw/zinc/86/81/86/569868186.db2.gz DUMKXWXOBPSKLC-CUFBHMEESA-N -1 0 463.533 5.463 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])C(=C3CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000095619497 571798280 /nfs/dbraw/zinc/79/82/80/571798280.db2.gz NOHMTCLUYAVQEY-CBFHNNPNSA-N -1 0 472.710 6.349 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5C[C@@H](O)[C@]43C)[C@@H]2[C@H]1C ZINC000095619518 571798367 /nfs/dbraw/zinc/79/83/67/571798367.db2.gz MFYBXHRQBFYAQZ-URHSXEEASA-N -1 0 470.694 6.269 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2C1 ZINC000100777623 571824652 /nfs/dbraw/zinc/82/46/52/571824652.db2.gz GBMBQYFNPMVAMS-MVLOBVPVSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777583 571824679 /nfs/dbraw/zinc/82/46/79/571824679.db2.gz RWNHLTKFBKYDOJ-IKCSVQLOSA-N -1 0 488.709 5.177 1 0 endogenous,in-man JKAFRM C[C@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC[C@@]1(C)O ZINC000100778532 571827993 /nfs/dbraw/zinc/82/79/93/571827993.db2.gz URJPXMKINYSFCX-JLQRFBSHSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM CC1=C(C)[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC1 ZINC000100779215 571830587 /nfs/dbraw/zinc/83/05/87/571830587.db2.gz HKJOHXSLBNLQHF-VKGWHHFXSA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100779395 571830880 /nfs/dbraw/zinc/83/08/80/571830880.db2.gz KQTSQSVDAUIWJH-BLRCOMKDSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100779507 571830883 /nfs/dbraw/zinc/83/08/83/571830883.db2.gz MUCRYNWJQNHDJH-LSMHXMEASA-N -1 0 454.695 7.298 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000100779926 571832190 /nfs/dbraw/zinc/83/21/90/571832190.db2.gz LBYASJQBHLSHBP-LUWDOVPXSA-N -1 0 488.709 5.321 1 0 endogenous,in-man JKAFRM CC(C)C[C@@H](c1c([O-])c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@]21C ZINC000100782672 571838166 /nfs/dbraw/zinc/83/81/66/571838166.db2.gz XJNGQIYBMXBCRU-NTCVWOIFSA-N -1 0 472.622 5.718 1 0 endogenous,in-man JKAFRM C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)cnn1C)c1ccccc1F ZINC000095573834 541107781 /nfs/dbraw/zinc/10/77/81/541107781.db2.gz XJEDKOIWEUDNBI-GOSISDBHSA-N -1 0 499.542 6.319 1 0 JKAFRM C[C@@H](OC(=O)Nc1cnnn1-c1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1)c1ccccc1 ZINC000095577465 541108090 /nfs/dbraw/zinc/10/80/90/541108090.db2.gz JBJOXXMKJMCKEL-GOSISDBHSA-N -1 0 468.513 5.360 1 0 JKAFRM C[C@@H](OC(=O)Nc1conc1-c1ccc(NC(=O)CCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903651 541108284 /nfs/dbraw/zinc/10/82/84/541108284.db2.gz OMOMFBJGKABUGF-CYBMUJFWSA-N -1 0 457.870 5.108 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000095098890 291566601 /nfs/dbraw/zinc/56/66/01/291566601.db2.gz MIJYXULNPSFWEK-ARPIOMGGSA-N -1 0 456.711 7.234 1 0 biogenic,in-vitro JKAFRM CC1(C)CC2=C3C=C[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])C[C@H]1O ZINC000059588491 291566604 /nfs/dbraw/zinc/56/66/04/291566604.db2.gz NSZFSZBDUJELCA-HZXHHOJTSA-N -1 0 470.694 6.125 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@@]3(C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000013558226 291567599 /nfs/dbraw/zinc/56/75/99/291567599.db2.gz QLTFHGMEDZMMTF-WDJVMFSYSA-N -1 0 452.679 7.362 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000003978828 291595199 /nfs/dbraw/zinc/59/51/99/291595199.db2.gz WCGUUGGRBIKTOS-CIZWFLFGSA-N -1 0 456.711 7.090 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@@]1(C)O ZINC000070455330 291598312 /nfs/dbraw/zinc/59/83/12/291598312.db2.gz WJCIWKNYROGCFD-PITZFEFRSA-N -1 0 474.726 6.284 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000084154112 291598314 /nfs/dbraw/zinc/59/83/14/291598314.db2.gz HFGSQOYIOKBQOW-ZJZBZPBSSA-N -1 0 472.710 6.060 1 0 biogenic,in-vitro JKAFRM O=C(CCc1ccccc1)c1c([O-])c(Cc2ccccc2O)c2c(c1O)Cc1ccccc1O2 ZINC000002026346 291601626 /nfs/dbraw/zinc/60/16/26/291601626.db2.gz IWPNHPPGEPHKBZ-UHFFFAOYSA-N -1 0 452.506 5.906 1 0 biogenic,in-vitro JKAFRM COc1cc(Br)c([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1OC ZINC000009408821 194751735 /nfs/dbraw/zinc/75/17/35/194751735.db2.gz GHLSQIUGMKBMPJ-MDTICVRHSA-N -1 0 458.352 5.461 1 0 JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)[O-])C[C@@H](O)[C@]3(C)CC[C@]21C ZINC000070455304 560047337 /nfs/dbraw/zinc/04/73/37/560047337.db2.gz RUJQEBHXYLCSKV-GNODTPKWSA-N -1 0 470.694 6.413 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@](C)(CO)C(=O)[C@H](O)C[C@@]43C)[C@H]2C1 ZINC000070454058 560048702 /nfs/dbraw/zinc/04/87/02/560048702.db2.gz CLGZBVHKVNHXPB-FTBBUZIFSA-N -1 0 486.693 5.385 1 0 biogenic,in-vitro JKAFRM C[C@@H]1[C@]23CO[C@@]1(O)CC[C@H]2[C@@]1(C)CC[C@@]2(C)[C@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]2(C)[C@@H]1CC3 ZINC000070454020 560048818 /nfs/dbraw/zinc/04/88/18/560048818.db2.gz ZXENWDWQTWYUGY-SMPOGMLQSA-N -1 0 472.710 6.652 1 0 biogenic,in-vitro JKAFRM CC1(C)C(=O)CC[C@]2(C)[C@H]3C=C[C@H]4[C@@H]5C[C@](C)(C(=O)[O-])C[C@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000095912187 560057434 /nfs/dbraw/zinc/05/74/34/560057434.db2.gz QMNRZKAVEHINBW-APJKKPIISA-N -1 0 470.694 6.269 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000095911269 560058250 /nfs/dbraw/zinc/05/82/50/560058250.db2.gz TUOYZAJHBIXONX-BFRADGSKSA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM CC(C)=CCc1c([O-])c(CC=C(C)C)c2occ(-c3ccc(O)c4c3OC(C)(C)C=C4)c(=O)c2c1O ZINC000085956010 560066312 /nfs/dbraw/zinc/06/63/12/560066312.db2.gz CLXMHBYPZWNJQI-UHFFFAOYSA-N -1 0 488.580 6.778 1 0 endogenous,in-man JKAFRM COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@H](CCC(C)C)Cc2ccccc2)c1=O ZINC000085633027 560067480 /nfs/dbraw/zinc/06/74/80/560067480.db2.gz DOQMDMBPFXKESV-HXUWFJFHSA-N -1 0 474.553 6.348 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]3CC=C4[C@H]5C[C@](C)(C(=O)[O-])C[C@H](O)[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000085541377 560071560 /nfs/dbraw/zinc/07/15/60/560071560.db2.gz JTBGJQZJEYVBJZ-PCZBAJNESA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000085532078 560073103 /nfs/dbraw/zinc/07/31/03/560073103.db2.gz YLHQFGOOMKJFLP-SBENFNKCSA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5C[C@@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000033986139 560087611 /nfs/dbraw/zinc/08/76/11/560087611.db2.gz CZWBKSDPBWNHGO-SGABMGGSSA-N -1 0 472.710 6.206 1 0 biogenic,in-vitro JKAFRM C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)[O-])C[C@@H]4[C@]3(C)CC[C@]12C ZINC000032022452 560089236 /nfs/dbraw/zinc/08/92/36/560089236.db2.gz WHWHDGKOSUKYOV-DZYDJOFSSA-N -1 0 456.711 7.522 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])[C@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O ZINC000003978837 560192887 /nfs/dbraw/zinc/19/28/87/560192887.db2.gz YKOPWPOFWMYZJZ-RWGJSDBQSA-N -1 0 472.710 6.204 1 0 in-vitro JKAFRM CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000014592482 560222788 /nfs/dbraw/zinc/22/27/88/560222788.db2.gz UCVVXBUPFRVXRG-UHFFFAOYSA-N -1 0 452.808 10.870 1 0 in-vitro JKAFRM CC[C@@H](C)C(=O)c1c([O-])c2c(-c3ccccc3)cc(=O)oc2c(C/C=C(\C)CCC=C(C)C)c1O ZINC000015120534 560228594 /nfs/dbraw/zinc/22/85/94/560228594.db2.gz IMVIXRODHNNZOZ-ZWUNQBBJSA-N -1 0 474.597 7.335 1 0 biogenic,in-vitro JKAFRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)[O-] ZINC000015147688 560228967 /nfs/dbraw/zinc/22/89/67/560228967.db2.gz SOJWNXGBEWFLQL-WMPRHZDHSA-N -1 0 470.782 10.674 1 0 in-vitro JKAFRM C/C1=C/[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c([O-])c4[C@@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000015210035 571735862 /nfs/dbraw/zinc/73/58/62/571735862.db2.gz AGTXIGWLMDUUMQ-OJNWRKLXSA-N -1 0 454.607 6.412 1 0 endogenous,in-man JKAFRM COc1ccc(C(=O)C[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000000601117 562918532 /nfs/dbraw/zinc/91/85/32/562918532.db2.gz FVBLQAOPHNAFHB-LJQANCHMSA-N -1 0 466.917 5.685 1 0 JKAFRM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC000000832262 562919103 /nfs/dbraw/zinc/91/91/03/562919103.db2.gz ILJZPYKOBIVELE-UHFFFAOYSA-N -1 0 482.359 5.050 3 0 JKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1Cc1cc2cc(C[C@@H]3SC(=O)[N-]C3=O)ccc2o1 ZINC000001483004 562920081 /nfs/dbraw/zinc/92/00/81/562920081.db2.gz JIYHBYMABFEOFJ-FQEVSTJZSA-N -1 0 452.919 5.535 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000001534964 562920579 /nfs/dbraw/zinc/92/05/79/562920579.db2.gz MIJYXULNPSFWEK-IHSXMCJSSA-N -1 0 456.711 7.234 1 0 JKAFRM O=C([O-])c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(-c3ccccc3)cc1)[C@H]2O ZINC000001536486 562920621 /nfs/dbraw/zinc/92/06/21/562920621.db2.gz ZCLRUNQNSPWNJW-RBISFHTESA-N -1 0 454.497 6.143 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)nn(Cc2cccnc2)c1-3 ZINC000001539149 562920775 /nfs/dbraw/zinc/92/07/75/562920775.db2.gz IVFXSJDULWTLKR-UHFFFAOYSA-N -1 0 491.635 6.806 1 0 JKAFRM CN(CCOc1ccc(C[C@@H](CCOc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000001541447 562920899 /nfs/dbraw/zinc/92/08/99/562920899.db2.gz KDXBJMKZZRDYGR-OAQYLSRUSA-N -1 0 460.530 5.055 1 0 JKAFRM O=C([O-])COc1cccc(C[C@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000001542743 562920958 /nfs/dbraw/zinc/92/09/58/562920958.db2.gz QVZSFHJAGXKMMQ-XMMPIXPASA-N -1 0 465.549 6.898 1 0 in-vitro JKAFRM CCCOc1ccc2c(c1)n(Cc1ccc3c(c1)OCO3)c(C(=O)[O-])c2-c1ccc2c(c1)OCO2 ZINC000001544312 562920969 /nfs/dbraw/zinc/92/09/69/562920969.db2.gz OYUYFTQOLVQNJA-UHFFFAOYSA-N -1 0 473.481 5.301 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@H](C(=O)[O-])c1ccccc1Cl ZINC000001545013 562921039 /nfs/dbraw/zinc/92/10/39/562921039.db2.gz FPHIRTQRLMIFKH-SANMLTNESA-N -1 0 492.019 6.469 1 0 JKAFRM O=C([O-])c1ccc2nc(C(=O)COc3ccc(SCCCCCc4ccccc4)cc3)sc2c1 ZINC000001548767 562921125 /nfs/dbraw/zinc/92/11/25/562921125.db2.gz KIXJJRMYSGJAAF-UHFFFAOYSA-N -1 0 491.634 6.761 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1Cl ZINC000001554205 562921357 /nfs/dbraw/zinc/92/13/57/562921357.db2.gz LAJJKGIZTCCOHY-NRFANRHFSA-N -1 0 496.312 6.351 1 0 in-vivo JKAFRM CCCSc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001555098 562921428 /nfs/dbraw/zinc/92/14/28/562921428.db2.gz GHZXQTZRKKTJBP-UHFFFAOYSA-N -1 0 470.558 5.132 1 0 JKAFRM CC[C@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c([C@@H](O)CC)cc(=O)oc12 ZINC000001611821 562921609 /nfs/dbraw/zinc/92/16/09/562921609.db2.gz PVNISOOZUQFLJH-YSDUMNIHSA-N -1 0 456.579 6.112 1 0 JKAFRM CC(C)=CCc1c([O-])c(CC=C(C)C)c2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c1O ZINC000001658457 562922872 /nfs/dbraw/zinc/92/28/72/562922872.db2.gz UEEBMAIKXXZTAU-UHFFFAOYSA-N -1 0 490.596 6.809 1 0 biogenic,in-vitro JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)CC[C@@H]([C@H](C)CCC(=O)[O-])[C@@]1(C)CC3=O ZINC000001668684 562923220 /nfs/dbraw/zinc/92/32/20/562923220.db2.gz JIKRXLHICUVFAL-ZUOWGGBFSA-N -1 0 486.649 5.526 1 0 JKAFRM O=C([O-])c1ccc(CCOCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000001891934 562924002 /nfs/dbraw/zinc/92/40/02/562924002.db2.gz JHGWQJFSKCZPRM-UHFFFAOYSA-N -1 0 463.533 6.425 1 0 investigational JKAFRM CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCCC(=O)[O-])c1ccccc1 ZINC000001894653 562924087 /nfs/dbraw/zinc/92/40/87/562924087.db2.gz FOOHZRDIAOMVJZ-QHCPKHFHSA-N -1 0 468.553 6.027 1 0 JKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3F)cc2O1 ZINC000001910887 562924187 /nfs/dbraw/zinc/92/41/87/562924187.db2.gz AKDZHLYKWMYKAK-HHHXNRCGSA-N -1 0 466.505 6.024 1 0 JKAFRM COc1ccc(C2=C(C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)cc1 ZINC000002002801 562924329 /nfs/dbraw/zinc/92/43/29/562924329.db2.gz BATSJXIVNKJCKQ-AREMUKBSSA-N -1 0 460.482 5.231 1 0 JKAFRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4coc5ccccc54)cc3)cc2)cc1O ZINC000002008094 562924445 /nfs/dbraw/zinc/92/44/45/562924445.db2.gz WOTODPFQZMESJR-UHFFFAOYSA-N -1 0 486.501 5.938 1 0 JKAFRM O=C([O-])CS(=O)(=O)c1ccc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1 ZINC000003600342 562927360 /nfs/dbraw/zinc/92/73/60/562927360.db2.gz HXYQWQGJGTWNOO-UHFFFAOYSA-N -1 0 499.588 5.055 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc2c(c1)S[C@](C(=O)[O-])(c1ccccc1)S2 ZINC000003788708 562928064 /nfs/dbraw/zinc/92/80/64/562928064.db2.gz DUBTZNCRYQSXDY-VWLOTQADSA-N -1 0 461.612 5.876 1 0 JKAFRM CCOC(=O)[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000003789037 562928130 /nfs/dbraw/zinc/92/81/30/562928130.db2.gz OJFMMMQYQZJWIZ-HSZRJFAPSA-N -1 0 471.509 5.361 1 0 JKAFRM O=C([O-])CCc1ccccc1C[C@@H]1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000003790790 562928150 /nfs/dbraw/zinc/92/81/50/562928150.db2.gz REOJLAXLWPJOTB-LOSJGSFVSA-N -1 0 480.649 6.299 1 0 JKAFRM COc1ccc(-c2cccc3c2C[C@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1 ZINC000003796586 562928321 /nfs/dbraw/zinc/92/83/21/562928321.db2.gz VQNSWFXNJVENQW-MUUNZHRXSA-N -1 0 477.560 5.532 1 0 JKAFRM FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnn[n-]3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000003798584 562928367 /nfs/dbraw/zinc/92/83/67/562928367.db2.gz LFFPDSZQTVWQEP-ICSRJNTNSA-N -1 0 485.432 5.160 1 0 JKAFRM CC(=O)O[C@@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 ZINC000003802790 562928465 /nfs/dbraw/zinc/92/84/65/562928465.db2.gz LOSITVYGMTZZLA-MMDLQUBMSA-N -1 0 482.617 5.641 1 0 JKAFRM O=C([O-])CCc1ccccc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000003802527 562928510 /nfs/dbraw/zinc/92/85/10/562928510.db2.gz NDMASZNNTXBTGH-VWLOTQADSA-N -1 0 481.637 5.509 1 0 JKAFRM CCCc1ccc(CC[C@H](C[C@H](C)C(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 ZINC000003807521 562928597 /nfs/dbraw/zinc/92/85/97/562928597.db2.gz UXFNMUGVMKCZTP-NZJKTDFXSA-N -1 0 480.649 5.468 1 0 JKAFRM COC1(c2cccc(COc3ccc4c(c3)cc(C(=O)[O-])c(CO)c4-c3ccccc3)c2)CCOCC1 ZINC000003807812 562928614 /nfs/dbraw/zinc/92/86/14/562928614.db2.gz YCMHQZPVYDLCJC-UHFFFAOYSA-N -1 0 498.575 5.928 1 0 JKAFRM CN(CCOc1ccc(C[C@@H](CCCCCc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000003810356 562928619 /nfs/dbraw/zinc/92/86/19/562928619.db2.gz JQWHAFGFUJVEPW-RUZDIDTESA-N -1 0 486.612 6.389 1 0 JKAFRM CCCS(=O)(=O)Nc1cccc([C@@H](c2c([O-])cc([C@@H](CC)Cc3ccccc3)oc2=O)C2CC2)c1 ZINC000003815653 562928901 /nfs/dbraw/zinc/92/89/01/562928901.db2.gz GTGPHAUFYVHIIY-FNZWTVRRSA-N -1 0 495.641 5.775 1 0 JKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(CC(=O)[O-])csc2c1 ZINC000003817280 562929062 /nfs/dbraw/zinc/92/90/62/562929062.db2.gz OWQMSVAYBUHJBB-UHFFFAOYSA-N -1 0 463.502 6.558 1 0 JKAFRM CS(=O)(=O)c1ccnc2c1c(Sc1cccc3ccccc31)c1n2CCC[C@H]1CC(=O)[O-] ZINC000003949533 562930651 /nfs/dbraw/zinc/93/06/51/562930651.db2.gz KDYFIMFGTYIEBR-INIZCTEOSA-N -1 0 466.584 5.096 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3oc4ccccc4c3c2)[C@@H]2CC[C@H]1C2 ZINC000003951162 562930736 /nfs/dbraw/zinc/93/07/36/562930736.db2.gz ABGGBXIEVBJCCD-DUMHOLGYSA-N -1 0 467.587 5.480 1 0 JKAFRM C[C@@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1 ZINC000003992538 562931745 /nfs/dbraw/zinc/93/17/45/562931745.db2.gz LNHVXGYUBBGCLW-SANMLTNESA-N -1 0 468.933 6.149 1 0 JKAFRM CC(=O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CCC(=O)[O-] ZINC000004726906 562933639 /nfs/dbraw/zinc/93/36/39/562933639.db2.gz XPQHBSJTCFLKRX-DBQLAXJASA-N -1 0 458.727 7.912 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2/C=C\c2ccccc2)c1C ZINC000004821506 562933761 /nfs/dbraw/zinc/93/37/61/562933761.db2.gz UNZAVPNCBSRDCV-SEYXRHQNSA-N -1 0 497.576 6.585 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c3c(n([C@H](c4ccc(Cl)cc4)C(F)F)c21)[C@@H](CC(=O)[O-])CCC3 ZINC000006717490 562938190 /nfs/dbraw/zinc/93/81/90/562938190.db2.gz ZWDYQIHXRVDJES-LRTDBIEQSA-N -1 0 499.938 5.586 1 0 JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C ZINC000008035225 562938712 /nfs/dbraw/zinc/93/87/12/562938712.db2.gz WCGUUGGRBIKTOS-BPUPZVGFSA-N -1 0 456.711 7.090 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000008681456 562951233 /nfs/dbraw/zinc/95/12/33/562951233.db2.gz PGOYMURMZNDHNS-NYHZSRJXSA-N -1 0 472.710 6.206 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)[O-] ZINC000008829450 562955028 /nfs/dbraw/zinc/95/50/28/562955028.db2.gz KDCSSVADTHDYGI-MWOWCXCPSA-N -1 0 454.695 7.752 3 0 JKAFRM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000009491584 562956390 /nfs/dbraw/zinc/95/63/90/562956390.db2.gz BVUVYIRFTZHYBX-UHFFFAOYSA-N -1 0 472.975 5.616 3 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(-c3ccco3)cc2)cc1)C(=O)[O-] ZINC000012358217 562959503 /nfs/dbraw/zinc/95/95/03/562959503.db2.gz XHKNGLNAUZPBHP-HDFSHUSISA-N -1 0 468.549 6.490 1 0 JKAFRM CCOc1ccc(COc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)[O-])c2)cc1 ZINC000012358146 562959507 /nfs/dbraw/zinc/95/95/07/562959507.db2.gz NLLLBTAOCGRTOK-UHFFFAOYSA-N -1 0 460.313 5.922 1 0 JKAFRM CCO[C@@H](Cc1ccc(OCC[C@H]2Sc3ccccc3Oc3ccccc32)cc1)C(=O)[O-] ZINC000012358180 562959509 /nfs/dbraw/zinc/95/95/09/562959509.db2.gz TUADPXVZIXAGBG-BJKOFHAPSA-N -1 0 450.556 6.127 1 0 JKAFRM CC(C)(Oc1ccc(CCN(C(=O)Nc2ccc(F)cc2F)C2CCCCCC2)cc1)C(=O)[O-] ZINC000012358141 562959551 /nfs/dbraw/zinc/95/95/51/562959551.db2.gz KFQNDBBADLHQCZ-UHFFFAOYSA-N -1 0 474.548 6.006 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358263 562959576 /nfs/dbraw/zinc/95/95/76/562959576.db2.gz MZIXKXKPGPURRW-SANMLTNESA-N -1 0 491.609 6.694 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1F ZINC000012358265 562959625 /nfs/dbraw/zinc/95/96/25/562959625.db2.gz JQTFXOHYNAIVNX-VWLOTQADSA-N -1 0 495.572 6.443 1 0 JKAFRM O=C([O-])Cc1ccccc1OCC[C@H]1Oc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000012358452 562959735 /nfs/dbraw/zinc/95/97/35/562959735.db2.gz VLVHERCAJYOIPF-HSZRJFAPSA-N -1 0 486.351 5.384 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358525 562959781 /nfs/dbraw/zinc/95/97/81/562959781.db2.gz JSTSZHVRXHMZQK-NDEPHWFRSA-N -1 0 457.526 5.736 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(O[C@@](C)(Cc2ccccc2)C(=O)[O-])cc1 ZINC000012358531 562959797 /nfs/dbraw/zinc/95/97/97/562959797.db2.gz MOXCTWXWOVAJGJ-NDEPHWFRSA-N -1 0 457.526 5.736 1 0 JKAFRM CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358508 562959799 /nfs/dbraw/zinc/95/97/99/562959799.db2.gz AVJJHRSFYPNIRZ-SANMLTNESA-N -1 0 479.642 6.859 1 0 JKAFRM CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358513 562959815 /nfs/dbraw/zinc/95/98/15/562959815.db2.gz AGIZWZHGBUGOHX-RUZDIDTESA-N -1 0 467.631 6.559 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(O[C@](C)(Cc2ccccc2)C(=O)[O-])cc1 ZINC000012358532 562959839 /nfs/dbraw/zinc/95/98/39/562959839.db2.gz MOXCTWXWOVAJGJ-MUUNZHRXSA-N -1 0 457.526 5.736 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)CC[C@@](C)(C(=O)[O-])O2 ZINC000012358542 562959840 /nfs/dbraw/zinc/95/98/40/562959840.db2.gz ZCMGKKCGIMLNEL-LJAQVGFWSA-N -1 0 476.569 6.448 1 0 JKAFRM CCCc1cc2c(=O)n(C(C)C)oc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358599 562959907 /nfs/dbraw/zinc/95/99/07/562959907.db2.gz LAFWUMIZQZGZAR-DEOSSOPVSA-N -1 0 453.579 6.409 1 0 JKAFRM CCCc1cc2c(oc(=O)n2CC(F)(F)F)c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358594 562959909 /nfs/dbraw/zinc/95/99/09/562959909.db2.gz AQKZTRLPJFOUNN-QFIPXVFZSA-N -1 0 493.522 6.390 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000012726004 562960810 /nfs/dbraw/zinc/96/08/10/562960810.db2.gz CZWBKSDPBWNHGO-DPJNYECVSA-N -1 0 472.710 6.206 3 0 in-vitro JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(CO)[C@@H](O)C[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000012726394 562960817 /nfs/dbraw/zinc/96/08/17/562960817.db2.gz QXFJACMLXSJEMH-BGSMKCEQSA-N -1 0 488.709 5.177 3 0 JKAFRM CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3C[C@@](C)(CO)CC[C@]3(C(=O)[O-])CC[C@]21C ZINC000012726407 562960872 /nfs/dbraw/zinc/96/08/72/562960872.db2.gz CZWBKSDPBWNHGO-XUIPKYMLSA-N -1 0 472.710 6.206 3 0 JKAFRM CC(C)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1n[n-]c(=S)n1-c1ccccc1 ZINC000012971218 562961102 /nfs/dbraw/zinc/96/11/02/562961102.db2.gz RDHPZJKDACQRHG-XMMPIXPASA-N -1 0 483.666 7.476 1 0 JKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000013445219 562964027 /nfs/dbraw/zinc/96/40/27/562964027.db2.gz CZZNXYTZNDCTMR-NRFANRHFSA-N -1 0 458.341 5.024 1 0 JKAFRM O=C([O-])c1ccccc1Cn1nnc(-c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n1 ZINC000013452834 562964919 /nfs/dbraw/zinc/96/49/19/562964919.db2.gz BCVDBEGVIVVKAB-XYOKQWHBSA-N -1 0 467.916 5.459 1 0 JKAFRM COc1ccc(C2=C(C(=O)[O-])[C@@H](c3ccc(C(C)C)cc3)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473403 562966217 /nfs/dbraw/zinc/96/62/17/562966217.db2.gz GZWJPXCACPATMS-MUUNZHRXSA-N -1 0 458.554 6.626 1 0 JKAFRM CCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1ccc(OC)cc1)O2 ZINC000013473412 562966222 /nfs/dbraw/zinc/96/62/22/562966222.db2.gz ZUSUBGWFWBUKQL-AREMUKBSSA-N -1 0 460.482 5.233 1 0 JKAFRM CC(C)Oc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1ccc(C(C)C)cc1)O2 ZINC000013473408 562966225 /nfs/dbraw/zinc/96/62/25/562966225.db2.gz YJJDTZWFCKLRED-MUUNZHRXSA-N -1 0 472.537 6.346 1 0 JKAFRM COc1ccc(C2=C(C(=O)[O-])[C@H](c3ccc(OC)cc3OC)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473400 562966239 /nfs/dbraw/zinc/96/62/39/562966239.db2.gz RFIGFHXMRGNFHU-MHZLTWQESA-N -1 0 476.525 5.520 1 0 JKAFRM CCCOc1ccc2c(c1)C(c1ccc(OC)cc1)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000013473380 562966242 /nfs/dbraw/zinc/96/62/42/562966242.db2.gz GMWGPFSQYORQOK-AREMUKBSSA-N -1 0 460.482 5.233 1 0 JKAFRM COc1ccc(C2=C(C(=O)[O-])[C@@H](c3ccc(OC)c(OC)c3)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473397 562966244 /nfs/dbraw/zinc/96/62/44/562966244.db2.gz FPKNYLGWZIIHST-HHHXNRCGSA-N -1 0 476.525 5.520 1 0 JKAFRM CC(C)Oc1ccc2c(c1)C(CC1CCCCC1)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000013473462 562966269 /nfs/dbraw/zinc/96/62/69/562966269.db2.gz XYTVOWUHDSVFDD-AREMUKBSSA-N -1 0 450.531 6.145 1 0 JKAFRM COc1ccccc1C1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473473 562966271 /nfs/dbraw/zinc/96/62/71/562966271.db2.gz KSYWIJXPPICDIM-AREMUKBSSA-N -1 0 460.482 5.231 1 0 JKAFRM CCCCCCOC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473439 562966272 /nfs/dbraw/zinc/96/62/72/562966272.db2.gz LXXBIHJQBOYKLU-XMMPIXPASA-N -1 0 454.519 5.729 1 0 JKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1ccc(OC)cc1)O2 ZINC000013473424 562966283 /nfs/dbraw/zinc/96/62/83/562966283.db2.gz RYEDGFHAPFVCCP-HHHXNRCGSA-N -1 0 474.509 5.623 1 0 JKAFRM O=C(Nc1c([O-])cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487501 562967844 /nfs/dbraw/zinc/96/78/44/562967844.db2.gz YUNWONLPUONZLY-UHFFFAOYSA-N -1 0 491.783 7.072 1 0 JKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1cc2ccccc2s1 ZINC000013489828 562968947 /nfs/dbraw/zinc/96/89/47/562968947.db2.gz OUWXFDFRZJGRRH-UHFFFAOYSA-N -1 0 469.406 6.619 1 0 JKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C\CCCC(=O)[O-])[C@H]2NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000013521351 562970956 /nfs/dbraw/zinc/97/09/56/562970956.db2.gz VLZBULDOJODFQV-OTIHXWACSA-N -1 0 481.658 5.884 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3c(c2)oc2ccccc23)[C@@H]2CC[C@H]1C2 ZINC000013521284 562970965 /nfs/dbraw/zinc/97/09/65/562970965.db2.gz BJDBOPKNOBHZEB-DUMHOLGYSA-N -1 0 467.587 5.480 1 0 JKAFRM CC1(C)[C@@H]2C[C@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@@H](NS(=O)(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000013521373 562970967 /nfs/dbraw/zinc/97/09/67/562970967.db2.gz KYJURYUFKJKHRP-GAIDJLACSA-N -1 0 481.658 5.884 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(/C=C/c3ccccc3)s2)[C@@H]2CC[C@H]1C2 ZINC000013521269 562970978 /nfs/dbraw/zinc/97/09/78/562970978.db2.gz HOYYTWDVGXFXQS-ROHJVZRQSA-N -1 0 485.671 5.813 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3oc4ccc(O)cc4c3c2)[C@@H]2CC[C@H]1C2 ZINC000013521321 562970981 /nfs/dbraw/zinc/97/09/81/562970981.db2.gz DOHJAMBTIKZWNQ-ODJFZNCDSA-N -1 0 483.586 5.186 1 0 JKAFRM O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1SCCc1ccc(-c2ccccc2)cc1 ZINC000013525870 562971417 /nfs/dbraw/zinc/97/14/17/562971417.db2.gz UVAFSUYDCCCUTO-HRNNMHKYSA-N -1 0 485.605 5.405 1 0 JKAFRM O=C1c2ccccc2C(=Cc2cc(Br)c([O-])c(Br)c2)c2ccccc21 ZINC000013524977 562971421 /nfs/dbraw/zinc/97/14/21/562971421.db2.gz SLFSVEDOUZCODZ-UHFFFAOYSA-N -1 0 456.133 6.051 1 0 JKAFRM O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1SCc1ccc(-c2ccccc2)cc1 ZINC000013525867 562971433 /nfs/dbraw/zinc/97/14/33/562971433.db2.gz BHBDAWJEKOCFGP-TUSQITKMSA-N -1 0 471.578 5.362 1 0 JKAFRM CCCCCn1cnc(CNc2ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c3ccccc3)c2)c1 ZINC000013533171 562972352 /nfs/dbraw/zinc/97/23/52/562972352.db2.gz OYKUALUQOPRHAD-VWLOTQADSA-N -1 0 494.661 5.289 1 0 JKAFRM O=C([O-])c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000013534718 562972605 /nfs/dbraw/zinc/97/26/05/562972605.db2.gz VISMJIFBVJNJRQ-UHFFFAOYSA-N -1 0 477.269 7.230 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000013537349 562972751 /nfs/dbraw/zinc/97/27/51/562972751.db2.gz NZYHLAMYTIOUFJ-SANMLTNESA-N -1 0 491.609 6.694 1 0 JKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000013539321 562972999 /nfs/dbraw/zinc/97/29/99/562972999.db2.gz QMKXLHIRXIYHRA-OAQYLSRUSA-N -1 0 463.496 7.080 1 0 JKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000013539330 562973067 /nfs/dbraw/zinc/97/30/67/562973067.db2.gz XAJQUFSHSHLOKC-SFHVURJKSA-N -1 0 489.412 6.975 1 0 JKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000013539327 562973070 /nfs/dbraw/zinc/97/30/70/562973070.db2.gz XAJQUFSHSHLOKC-GOSISDBHSA-N -1 0 489.412 6.975 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000013543560 562973099 /nfs/dbraw/zinc/97/30/99/562973099.db2.gz BHHPRAFMEFGOLZ-QVUWEPBXSA-N -1 0 456.711 7.234 1 0 in-vitro JKAFRM CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000013553662 562973454 /nfs/dbraw/zinc/97/34/54/562973454.db2.gz VSCDIBRPSQPEET-AREMUKBSSA-N -1 0 497.657 6.613 1 0 JKAFRM CCC(=O)c1c(C)c(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl ZINC000013560323 562975373 /nfs/dbraw/zinc/97/53/73/562975373.db2.gz VEBQLRBXOOXXBL-UHFFFAOYSA-N -1 0 496.010 5.269 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c(CC(=O)[O-])cnc3ccccc32)cc1 ZINC000013560854 562975396 /nfs/dbraw/zinc/97/53/96/562975396.db2.gz SVKRPTWETITCKK-UHFFFAOYSA-N -1 0 450.542 5.501 1 0 JKAFRM CC(C)(C)c1ccc(Cn2cc(C(=O)C(=O)[O-])c3cc(-c4cccc(C(C)(C)C)c4)ccc32)cc1 ZINC000013580624 562975700 /nfs/dbraw/zinc/97/57/00/562975700.db2.gz GMQXCLKLUXWABG-UHFFFAOYSA-N -1 0 467.609 7.219 1 0 JKAFRM CCC(C)(C)c1cc(/C(C)=C(F)\C=C\C(C)=C\C(=O)[O-])c(OCC(F)F)c(C(C)(C)CC)c1 ZINC000013587535 562977207 /nfs/dbraw/zinc/97/72/07/562977207.db2.gz DVQNTOYQYUJEBD-OCNXMBTNSA-N -1 0 466.584 7.993 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(N)cc12 ZINC000013588142 562977465 /nfs/dbraw/zinc/97/74/65/562977465.db2.gz RQTCLDBPWZHQIE-UHFFFAOYSA-N -1 0 462.549 6.159 1 0 JKAFRM O=C1NCc2cc(NS(=O)(=O)c3cc(Cl)ccc3[O-])ccc2N1c1c(Cl)cccc1Cl ZINC000013588792 562977795 /nfs/dbraw/zinc/97/77/95/562977795.db2.gz YYZMTFWJCLCEEF-UHFFFAOYSA-N -1 0 498.775 5.515 1 0 JKAFRM O=C([O-])COc1cccc2c(CCCSCCC(c3ccccc3)c3ccccc3)coc21 ZINC000013671550 562982464 /nfs/dbraw/zinc/98/24/64/562982464.db2.gz XGEZAYLQGHBZBR-UHFFFAOYSA-N -1 0 460.595 6.784 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)c1 ZINC000013674665 562983044 /nfs/dbraw/zinc/98/30/44/562983044.db2.gz VQZIRAVQCBUVTL-UHFFFAOYSA-N -1 0 466.581 7.298 1 0 JKAFRM CC(C)C(=O)Nc1cc2c(cc1CCc1cccc3ccccc31)[C@H](C(=O)[O-])C[C@@H]2c1cccs1 ZINC000013679504 562984018 /nfs/dbraw/zinc/98/40/18/562984018.db2.gz JPSNFQFECJIVDG-IZZNHLLZSA-N -1 0 483.633 6.985 1 0 JKAFRM O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3ccc([C@H](O)c4ccccc4)cc31)c1ccccc1CO2 ZINC000013727132 562984963 /nfs/dbraw/zinc/98/49/63/562984963.db2.gz KCZHYDZIFMFGDZ-XUKXDOQDSA-N -1 0 488.543 5.841 1 0 JKAFRM O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3cc([C@H](O)c4ccccc4)ccc31)c1ccccc1CO2 ZINC000013727127 562984965 /nfs/dbraw/zinc/98/49/65/562984965.db2.gz AEKGHOUHXTWVTG-XUKXDOQDSA-N -1 0 488.543 5.841 1 0 JKAFRM O=C([O-])CCCCCCCSc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013727560 562985062 /nfs/dbraw/zinc/98/50/62/562985062.db2.gz NJRBSQZPHLPAFI-UHFFFAOYSA-N -1 0 482.649 7.995 1 0 JKAFRM CCCCCNc1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)c2c1 ZINC000013732047 562985318 /nfs/dbraw/zinc/98/53/18/562985318.db2.gz XYNNWCDDBWKRIQ-UHFFFAOYSA-N -1 0 469.629 7.395 1 0 JKAFRM CCCCc1nc2ccc(N3CCCCC3=O)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732065 562985322 /nfs/dbraw/zinc/98/53/22/562985322.db2.gz DEOYQCOERZZPQC-UHFFFAOYSA-N -1 0 481.596 6.309 1 0 JKAFRM O=C([O-])C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 ZINC000013734629 562985810 /nfs/dbraw/zinc/98/58/10/562985810.db2.gz XWLCMGGWXNTFCV-MHZLTWQESA-N -1 0 489.681 6.522 1 0 JKAFRM CCC[C@@H](C(C)C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742330 562987313 /nfs/dbraw/zinc/98/73/13/562987313.db2.gz BSAXVSGXMLPOHK-MONSYSNTSA-N -1 0 476.617 6.924 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@H](C)c2ccccc2)c1 ZINC000013742355 562987321 /nfs/dbraw/zinc/98/73/21/562987321.db2.gz VNFZUBTUWWPXJO-SNJAAQEYSA-N -1 0 482.580 6.536 1 0 JKAFRM CCC[C@@H](CC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742327 562987349 /nfs/dbraw/zinc/98/73/49/562987349.db2.gz GAEODNOTWSPTDD-KBDAKURLSA-N -1 0 462.590 6.678 1 0 JKAFRM CCCCCn1cc(-c2ccc(C(=O)[O-])cc2)c2c1-c1cc3c(cc1CC2)C(C)(C)CCC3(C)C ZINC000013742693 562987458 /nfs/dbraw/zinc/98/74/58/562987458.db2.gz ZEEMTNGTIPQMGA-UHFFFAOYSA-N -1 0 469.669 8.158 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2ccccn2)c1-3 ZINC000013742697 562987581 /nfs/dbraw/zinc/98/75/81/562987581.db2.gz GPYPWVQJBUXWOW-UHFFFAOYSA-N -1 0 490.647 7.411 1 0 JKAFRM CC[C@@H](c1cccc(NC(=O)CCCNC(=O)OC(C)(C)C)c1)c1c([O-])c2ccccc2oc1=O ZINC000013743228 562987665 /nfs/dbraw/zinc/98/76/65/562987665.db2.gz SAWGKFPRPANQAW-IBGZPJMESA-N -1 0 480.561 5.284 1 0 JKAFRM CC(C)(C)OC(=O)NCC(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744219 562987814 /nfs/dbraw/zinc/98/78/14/562987814.db2.gz QISLIVQOJUGEHI-QHCPKHFHSA-N -1 0 496.604 5.010 1 0 JKAFRM Cc1ccccc1S(=O)(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744978 562987943 /nfs/dbraw/zinc/98/79/43/562987943.db2.gz AYZGBDUXVJCUNJ-VWLOTQADSA-N -1 0 493.625 5.656 1 0 JKAFRM Cc1cccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)c1 ZINC000013744982 562987950 /nfs/dbraw/zinc/98/79/50/562987950.db2.gz PDXABVTZQPAMBI-VWLOTQADSA-N -1 0 493.625 5.656 1 0 JKAFRM CCCCN(CCCC)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746869 562988128 /nfs/dbraw/zinc/98/81/28/562988128.db2.gz BJVKQDFBWZHLEG-UCGXPXSYSA-N -1 0 496.604 5.287 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000013747417 562988360 /nfs/dbraw/zinc/98/83/60/562988360.db2.gz ZQBCYEBALAGHNN-UHFFFAOYSA-N -1 0 465.619 5.679 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cn1cc(/C=C/C=C/C(=O)[O-])c2cc(OCc3ccccc3)ccc21 ZINC000013758658 562989025 /nfs/dbraw/zinc/98/90/25/562989025.db2.gz DQGCBONEVONMSD-VOMDNODZSA-N -1 0 494.591 5.575 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)[O-])c(OCc2ccccc2)c2ccccc12 ZINC000013758694 562989029 /nfs/dbraw/zinc/98/90/29/562989029.db2.gz RLLHAGPLTWFMCZ-UHFFFAOYSA-N -1 0 453.538 5.361 1 0 JKAFRM COc1ccc(CCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)[O-])cc1 ZINC000013758982 562989031 /nfs/dbraw/zinc/98/90/31/562989031.db2.gz ZMIXFFNMHGAAHI-ZRDIBKRKSA-N -1 0 490.408 6.409 1 0 JKAFRM CCC[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761708 562990224 /nfs/dbraw/zinc/99/02/24/562990224.db2.gz LLMTYJLMNZMATO-JOCHJYFZSA-N -1 0 499.604 5.876 1 0 JKAFRM CCC[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761707 562990245 /nfs/dbraw/zinc/99/02/45/562990245.db2.gz LLMTYJLMNZMATO-QFIPXVFZSA-N -1 0 499.604 5.876 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000013765995 562990618 /nfs/dbraw/zinc/99/06/18/562990618.db2.gz NKFFKDVJGSLYGD-BQDSNBFWSA-N -1 0 453.604 5.248 1 0 JKAFRM CN1c2cc3c(cc2N=C(c2ccc(C(=O)[O-])cc2)c2c4ccccc4ccc21)C(C)(C)CCC3(C)C ZINC000013775909 562990835 /nfs/dbraw/zinc/99/08/35/562990835.db2.gz SPLXFOKURUEFKS-UHFFFAOYSA-N -1 0 488.631 8.137 1 0 JKAFRM CCOC(=O)C[C@H](C[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21)C(=O)[O-] ZINC000013781933 562992297 /nfs/dbraw/zinc/99/22/97/562992297.db2.gz SVZKSTLFKNEAPQ-RATJTLETSA-N -1 0 490.725 6.921 1 0 JKAFRM CCN(CC)C(=O)/C=C(\C)c1ccc(OC(c2ccccc2)c2ccccc2)c(OCC(=O)[O-])c1 ZINC000013782706 562992667 /nfs/dbraw/zinc/99/26/67/562992667.db2.gz GSEDSUKYJKVJSE-DYTRJAOYSA-N -1 0 473.569 5.590 1 0 JKAFRM CCCCN(Cc1nnn[n-]1)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794613 562992946 /nfs/dbraw/zinc/99/29/46/562992946.db2.gz YNQBTJXKWWZGGE-UHFFFAOYSA-N -1 0 487.450 5.149 1 0 JKAFRM Cc1ccc(/C=C/COC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000013799581 562993802 /nfs/dbraw/zinc/99/38/02/562993802.db2.gz ZHXNJGISXVIIND-GGPLYICVSA-N -1 0 494.591 5.908 1 0 JKAFRM C[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804772 562994921 /nfs/dbraw/zinc/99/49/21/562994921.db2.gz ZASLYZMVFOXXHL-HXUWFJFHSA-N -1 0 490.559 6.085 1 0 JKAFRM O=C([O-])c1ccc(CCNC(=O)c2ccc3ccc(OCc4ccc5ccccc5c4)cc3c2)cc1 ZINC000013804816 562995035 /nfs/dbraw/zinc/99/50/35/562995035.db2.gz YFZNYCMTRPELEI-UHFFFAOYSA-N -1 0 475.544 6.243 1 0 JKAFRM O=C([O-])CCCc1ccc(NC(=O)Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1 ZINC000013804899 562995065 /nfs/dbraw/zinc/99/50/65/562995065.db2.gz QYEIYJTVDVHBOI-UHFFFAOYSA-N -1 0 454.526 5.402 1 0 JKAFRM O=C([O-])CCC(=O)Nc1cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)ccc1O ZINC000013806778 562995271 /nfs/dbraw/zinc/99/52/71/562995271.db2.gz IYDHCPVGIXHLRP-UHFFFAOYSA-N -1 0 491.543 6.867 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2/C=C/c2ccc(C)cc2C)c1Br ZINC000013815838 562996485 /nfs/dbraw/zinc/99/64/85/562996485.db2.gz MJRUDXHMLOPTDG-VOTSOKGWSA-N -1 0 453.383 5.395 1 0 JKAFRM Cc1cccc(F)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000013817693 562996856 /nfs/dbraw/zinc/99/68/56/562996856.db2.gz AWKHKGQMQBSIES-IBGZPJMESA-N -1 0 489.330 5.119 1 0 JKAFRM Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c([C@@H](c2ccc(F)cc2)C2CCCCC2)c1 ZINC000013824723 562998236 /nfs/dbraw/zinc/99/82/36/562998236.db2.gz GVKPCBGAXFCUON-MVERNJQCSA-N -1 0 458.570 5.120 1 0 JKAFRM CC(C)c1cccc2c(CCCCCCCNS(=O)(=O)c3ccccc3)cc(C(=O)[O-])c-2c1 ZINC000013826298 562998468 /nfs/dbraw/zinc/99/84/68/562998468.db2.gz OBTKRHHPCNXTTN-UHFFFAOYSA-N -1 0 467.631 6.085 1 0 JKAFRM CC(C)c1cccc2c(CCCCCCNS(=O)(=O)c3ccccc3)cc(C(=O)[O-])c-2c1 ZINC000013826296 562998494 /nfs/dbraw/zinc/99/84/94/562998494.db2.gz LRDDJXRODYIBCZ-UHFFFAOYSA-N -1 0 453.604 5.694 1 0 JKAFRM CCCCc1nc2cc(C)cc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828069 562998953 /nfs/dbraw/zinc/99/89/53/562998953.db2.gz YGGJZWHGXRDADC-UHFFFAOYSA-N -1 0 466.545 5.281 1 0 JKAFRM CCCCCc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832272 562999614 /nfs/dbraw/zinc/99/96/14/562999614.db2.gz UDTXFQIFKYJPKN-UHFFFAOYSA-N -1 0 466.545 5.363 1 0 JKAFRM CCCCc1nc2ccc(F)c(C(=O)[O-])c2nc1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832526 562999703 /nfs/dbraw/zinc/99/97/03/562999703.db2.gz LBPBLKOAJHUMQC-UHFFFAOYSA-N -1 0 484.491 5.449 1 0 JKAFRM Cc1cc(-c2c(-c3ccc(F)cc3)nc(C(C)C)n2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])cc(C)c1F ZINC000013833962 563000693 /nfs/dbraw/zinc/00/06/93/563000693.db2.gz LGOOFKNTNWQRMK-CXNSYNGHSA-N -1 0 484.543 5.293 1 0 JKAFRM CCCc1c(OCCCOc2ccc3c(=O)cc(C(=O)[O-])oc3c2CCC)ccc(C(C)=O)c1O ZINC000013834076 563000808 /nfs/dbraw/zinc/00/08/08/563000808.db2.gz JHAGRZFIEACDNG-UHFFFAOYSA-N -1 0 482.529 5.152 1 0 JKAFRM COc1c(C=O)c(C)c(Cl)c(OCC(=O)[O-])c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835883 563001470 /nfs/dbraw/zinc/00/14/70/563001470.db2.gz ILHZGZGWIHRDRS-CJSOUGSASA-N -1 0 476.997 5.619 1 0 JKAFRM COc1ccc([C@@H]2c3nc(-c4ccccc4)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])cc1 ZINC000013859856 563001718 /nfs/dbraw/zinc/00/17/18/563001718.db2.gz UIYNSXMUJGBENK-GMQQYTKMSA-N -1 0 465.505 5.464 1 0 JKAFRM CCCCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)[O-])[C@H]2c1ccc2c(c1)OCO2 ZINC000013859852 563001727 /nfs/dbraw/zinc/00/17/27/563001727.db2.gz FHOLSLVTQPRBKJ-KKUQBAQOSA-N -1 0 459.542 5.530 1 0 JKAFRM Cc1c(CC(=O)[O-])c2cc(OC(=O)CCCC(C)C)ccc2n1C(=O)c1ccc(Cl)cc1 ZINC000013862793 563003006 /nfs/dbraw/zinc/00/30/06/563003006.db2.gz VEUOLYZUTYBAMV-UHFFFAOYSA-N -1 0 455.938 5.650 1 0 JKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2sc3c(c2c1-c1ccc(F)cc1)CCC3 ZINC000013888872 563004325 /nfs/dbraw/zinc/00/43/25/563004325.db2.gz VHNBQQWPKKSMKL-NDZBKKTDSA-N -1 0 467.562 5.068 1 0 JKAFRM CC(C)c1nc2sc3c(c2c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])CCC3 ZINC000013888867 563004333 /nfs/dbraw/zinc/00/43/33/563004333.db2.gz XRFSGWMEAWUYJB-NDZBKKTDSA-N -1 0 469.578 5.314 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@@H](C(=O)[O-])c1ccccc1C ZINC000013892673 563004342 /nfs/dbraw/zinc/00/43/42/563004342.db2.gz SZDCHUGPQOSQTF-HHHXNRCGSA-N -1 0 471.601 6.124 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cn1cnc(C(c3ccccc3)c3ccccc3)c1)C2 ZINC000013902545 563004380 /nfs/dbraw/zinc/00/43/80/563004380.db2.gz OXIQGRZNOUMOJR-NRFANRHFSA-N -1 0 452.554 5.332 1 0 JKAFRM CCCC(CCC)(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000013981352 563005188 /nfs/dbraw/zinc/00/51/88/563005188.db2.gz NYKILRIQLNWWSH-UHFFFAOYSA-N -1 0 484.580 7.235 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3cccc(CCC(=O)[O-])c3)c2=O)cc1 ZINC000014963401 563008541 /nfs/dbraw/zinc/00/85/41/563008541.db2.gz SGNBDDWCPLULSJ-UHFFFAOYSA-N -1 0 481.552 5.533 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3nccs3)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963536 563008659 /nfs/dbraw/zinc/00/86/59/563008659.db2.gz NBRSUOHLXXYRPH-SFHVURJKSA-N -1 0 472.353 5.091 1 0 JKAFRM O=C([O-])CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1 ZINC000014969155 563009515 /nfs/dbraw/zinc/00/95/15/563009515.db2.gz LKIKBJBECFALSP-UHFFFAOYSA-N -1 0 492.989 5.570 1 0 JKAFRM O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc(C(F)(F)F)cn4)cc3)ccc21 ZINC000014977102 563010427 /nfs/dbraw/zinc/01/04/27/563010427.db2.gz FRMOQCTZEMXUFQ-IBGZPJMESA-N -1 0 471.475 6.120 1 0 JKAFRM COc1cc(-c2nc3c(s2)CCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977150 563010571 /nfs/dbraw/zinc/01/05/71/563010571.db2.gz IELCDGLGXNKKIF-SFHVURJKSA-N -1 0 479.598 5.660 1 0 JKAFRM COc1cc(-c2nc3c(s2)CCCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977159 563010572 /nfs/dbraw/zinc/01/05/72/563010572.db2.gz NPZMDWHUIIGJNS-IBGZPJMESA-N -1 0 493.625 6.050 1 0 JKAFRM CCOC(=O)[C@]([N-]c1ccc(Cl)cc1C(F)(F)F)(NC(=O)c1ccccc1)C(F)(F)F ZINC000020609134 563016413 /nfs/dbraw/zinc/01/64/13/563016413.db2.gz UHHDHHUOSDWAES-KRWDZBQOSA-N -1 0 468.781 5.022 1 0 JKAFRM CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000022054956 563016737 /nfs/dbraw/zinc/01/67/37/563016737.db2.gz BHYOQNUELFTYRT-PAMFVNDTSA-N -1 0 466.728 7.216 1 0 JKAFRM S=C([N-]c1ccc(Cl)cc1Cl)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000025978739 563020877 /nfs/dbraw/zinc/02/08/77/563020877.db2.gz QPVZQYVVFFACKF-QGZVFWFLSA-N -1 0 461.201 6.652 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@@H](Cc1coc(C(c3ccccc3)c3ccccc3)n1)C2 ZINC000026022073 563021925 /nfs/dbraw/zinc/02/19/25/563021925.db2.gz WXTXXFHRZCNXIW-HXUWFJFHSA-N -1 0 453.538 5.666 1 0 JKAFRM CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](OS(=O)(=O)[O-])[C@@H](C)CCCc1ccoc1 ZINC000026154959 563022525 /nfs/dbraw/zinc/02/25/25/563022525.db2.gz HXCWHJGIRYQQDZ-XFAKCGHRSA-N -1 0 452.657 6.615 1 0 JKAFRM CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2cccc(C(=O)[O-])c2)c1 ZINC000026155090 563022536 /nfs/dbraw/zinc/02/25/36/563022536.db2.gz UXQFZHNXQGLALU-UHFFFAOYSA-N -1 0 450.487 5.496 1 0 JKAFRM CC(C)c1cccc2c(CC[C@H](O)/C=C/[C@H]3[C@H](O)C[C@@H]4C/C(=C\CCCC(=O)[O-])C[C@H]43)ccc-2c1 ZINC000026159812 563022769 /nfs/dbraw/zinc/02/27/69/563022769.db2.gz WBDREHDVHQEEHI-MTGILAEMSA-N -1 0 476.657 6.353 1 0 JKAFRM CC(C)c1cccc2c(CC[C@H](O)/C=C/[C@H]3[C@H](O)C[C@@H]4C/C(=C\CCCC(=O)[O-])C[C@@H]43)ccc-2c1 ZINC000026159820 563022801 /nfs/dbraw/zinc/02/28/01/563022801.db2.gz WBDREHDVHQEEHI-GVFQLSILSA-N -1 0 476.657 6.353 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)C[S@@](=O)[C@@H]1c1cccnc1 ZINC000026170237 563023312 /nfs/dbraw/zinc/02/33/12/563023312.db2.gz UCHZGYCIIFATFO-ASRFGWOLSA-N -1 0 489.637 5.955 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@@H](C(=O)[O-])C(F)(F)F)cc1 ZINC000026290143 563025670 /nfs/dbraw/zinc/02/56/70/563025670.db2.gz WQXIWIURPCRFHM-PKTZIBPZSA-N -1 0 481.518 6.054 1 0 JKAFRM O=C1Nc2ccc(-c3cccnc3)cc2/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000026379675 563026630 /nfs/dbraw/zinc/02/66/30/563026630.db2.gz CAEMFFVPJFULIV-UUASQNMZSA-N -1 0 472.136 5.472 1 0 JKAFRM O=C([O-])CCc1ccc(OCC[C@H]2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000026402131 563027674 /nfs/dbraw/zinc/02/76/74/563027674.db2.gz SUJVOTDRYQZDBY-XMMPIXPASA-N -1 0 465.933 5.121 1 0 JKAFRM Cc1scc(C(=O)N[C@H]2[C@@H]3C[C@H](C[C@@H]2C/C=C/CCCC(=O)[O-])C3(C)C)c1-c1ccccc1 ZINC000026500189 563029105 /nfs/dbraw/zinc/02/91/05/563029105.db2.gz NHGAAGXKVQORKD-HKCPTGHJSA-N -1 0 465.659 6.705 1 0 JKAFRM C/C(=C\C(=O)[O-])c1ccc2[nH]cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3OCC(F)F)c2c1 ZINC000026670014 563033196 /nfs/dbraw/zinc/03/31/96/563033196.db2.gz POAAIJQVWHRDMG-MHWRWJLKSA-N -1 0 469.572 7.562 1 0 JKAFRM CC[C@H](NC(=O)c1cc(OCC2CC2)ccc1[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000026717614 563033669 /nfs/dbraw/zinc/03/36/69/563033669.db2.gz SAPKIPSUWLJMKJ-VWLOTQADSA-N -1 0 478.614 5.466 1 0 JKAFRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(Cc2ccccc2)Cc2cccnc2)cc1 ZINC000026716859 563033706 /nfs/dbraw/zinc/03/37/06/563033706.db2.gz NINLOKYHGZUFHX-UHFFFAOYSA-N -1 0 471.582 5.033 1 0 JKAFRM CCCC(CCC)n1ccc2cc(/C(C)=C/C(=O)Nc3cccc(OCCCC(=O)[O-])c3)ccc21 ZINC000026736441 563034556 /nfs/dbraw/zinc/03/45/56/563034556.db2.gz FDPAQBCCAURSPF-DYTRJAOYSA-N -1 0 476.617 7.068 1 0 JKAFRM C[C@H](Cc1cc(C(=O)[O-])co1)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000026836898 563036627 /nfs/dbraw/zinc/03/66/27/563036627.db2.gz ZOXJKPVAJZIFCN-JZUYHFPASA-N -1 0 466.662 7.043 1 0 JKAFRM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026935958 563037412 /nfs/dbraw/zinc/03/74/12/563037412.db2.gz PGKUWFJHCPBEKI-FOCLMDBBSA-N -1 0 452.988 6.543 1 0 JKAFRM COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC(C)(C)C(=O)[O-])cc2)cc1 ZINC000026956041 563037987 /nfs/dbraw/zinc/03/79/87/563037987.db2.gz STFVCYKATPKXTM-CLJLJLNGSA-N -1 0 473.569 5.664 1 0 JKAFRM CCn1c2ccccc2c2cc([C@@H]3S[C@@H](C)C(=O)N3[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc21 ZINC000026963314 563038212 /nfs/dbraw/zinc/03/82/12/563038212.db2.gz HACAKNDEZGBCMD-ISHFZTIBSA-N -1 0 497.620 5.954 1 0 JKAFRM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4cc(-c5ccccc5)ccc4o3)c1)C2=O ZINC000026980682 563038666 /nfs/dbraw/zinc/03/86/66/563038666.db2.gz YCYGKLUZBVEGOM-UHFFFAOYSA-N -1 0 460.445 5.661 1 0 JKAFRM CCCCC1=NC2(CCCCCCCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027079694 563039002 /nfs/dbraw/zinc/03/90/02/563039002.db2.gz WOECBIVPSJRGFG-UHFFFAOYSA-N -1 0 488.672 7.636 1 0 JKAFRM CCC1(CC)C(=O)N(C(=O)NCCCCCCc2ccccc2)[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000027204665 563041635 /nfs/dbraw/zinc/04/16/35/563041635.db2.gz HVVVIISNVRPGCR-VWLOTQADSA-N -1 0 466.578 5.251 1 0 JKAFRM CCC1(CC)C(=O)N(C(=O)NCc2ccc(-c3ccccc3)cc2)[C@@H]1Oc1ccc(CC(=O)[O-])cc1 ZINC000027207077 563041758 /nfs/dbraw/zinc/04/17/58/563041758.db2.gz CZYUBOJBBSLJDY-HHHXNRCGSA-N -1 0 486.568 5.244 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@H](SCc3ccccc3)C(=O)[O-])ccc2o1 ZINC000027301908 563042372 /nfs/dbraw/zinc/04/23/72/563042372.db2.gz VLOOERWRRKKQPE-MHZLTWQESA-N -1 0 483.589 6.916 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@@H](Sc3ccccc3)C(=O)[O-])ccc2o1 ZINC000027302827 563042402 /nfs/dbraw/zinc/04/24/02/563042402.db2.gz GVKNIEVBIWGJSY-AREMUKBSSA-N -1 0 469.562 6.775 1 0 JKAFRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(/C=C/c2nc(C(F)(F)C(F)(F)F)cs2)c1 ZINC000027424341 563043882 /nfs/dbraw/zinc/04/38/82/563043882.db2.gz VDQUKXWONATINK-CMDGGOBGSA-N -1 0 482.430 5.847 1 0 JKAFRM CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000027517680 563044534 /nfs/dbraw/zinc/04/45/34/563044534.db2.gz BHYOQNUELFTYRT-SMBLYXLBSA-N -1 0 466.728 7.216 1 0 JKAFRM CCc1ccccc1[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1N1CCCCC1 ZINC000027561181 563046785 /nfs/dbraw/zinc/04/67/85/563046785.db2.gz GLOXUEWMCPSOOY-MUUNZHRXSA-N -1 0 456.586 5.386 1 0 JKAFRM CCCC[C@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCC)c1)c1ccccc1N1CCCCC1 ZINC000027562882 563046962 /nfs/dbraw/zinc/04/69/62/563046962.db2.gz IGFJWEWLOMWYDK-QHCPKHFHSA-N -1 0 452.595 5.364 1 0 JKAFRM CCCC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCC)c1)c1ccccc1N1CCCCC1 ZINC000027562879 563046972 /nfs/dbraw/zinc/04/69/72/563046972.db2.gz IGFJWEWLOMWYDK-HSZRJFAPSA-N -1 0 452.595 5.364 1 0 JKAFRM COc1cc(C(=O)C[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000027636869 563047831 /nfs/dbraw/zinc/04/78/31/563047831.db2.gz PHFUXQAYAAEQEF-LJQANCHMSA-N -1 0 496.943 5.694 1 0 JKAFRM COc1cc(C(=O)C[C@@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000027640312 563048010 /nfs/dbraw/zinc/04/80/10/563048010.db2.gz JHXDVXXVQPQNDO-LJQANCHMSA-N -1 0 480.488 5.179 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3cccc(OC)c3OC)c(=O)c2C(=O)[O-])cc1 ZINC000027703994 563049414 /nfs/dbraw/zinc/04/94/14/563049414.db2.gz LQKXAAGEIUHBHL-UHFFFAOYSA-N -1 0 485.492 5.187 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3ccccc3OC)c(=O)c2C(=O)[O-])c(OC)c1 ZINC000027707845 563049659 /nfs/dbraw/zinc/04/96/59/563049659.db2.gz RPKUYMGAJFMAPV-UHFFFAOYSA-N -1 0 485.492 5.187 1 0 JKAFRM COc1ccc(Cn2c3c4ccccc4oc3c(-c3ccc(OC)cc3)c(C(=O)[O-])c2=O)cc1 ZINC000027711158 563049725 /nfs/dbraw/zinc/04/97/25/563049725.db2.gz JQJPHQBNCPKYID-UHFFFAOYSA-N -1 0 455.466 5.178 1 0 JKAFRM COc1ccccc1Cn1c2c3ccccc3oc2c(-c2ccccc2OC)c(C(=O)[O-])c1=O ZINC000027714362 563050035 /nfs/dbraw/zinc/05/00/35/563050035.db2.gz BJKAHBCPRIGDFP-UHFFFAOYSA-N -1 0 455.466 5.178 1 0 JKAFRM Cc1c(-c2ccc(F)cc2)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)n1-c1ccccc1 ZINC000027747847 563051163 /nfs/dbraw/zinc/05/11/63/563051163.db2.gz JHURQXGATCGLIV-DHIUTWEWSA-N -1 0 453.554 5.234 1 0 in-vitro JKAFRM CC(C)(Oc1ccccc1Br)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027748900 563051165 /nfs/dbraw/zinc/05/11/65/563051165.db2.gz IGXUIKDHBUUKLY-VQLHPMEFSA-N -1 0 490.394 5.543 1 0 JKAFRM CC(C)(Oc1ccccc1Br)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027748905 563051251 /nfs/dbraw/zinc/05/12/51/563051251.db2.gz IGXUIKDHBUUKLY-LPYYDSJASA-N -1 0 490.394 5.543 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc2c(c1)S[C@](c1nnn[n-]1)(c1ccccc1)S2 ZINC000027851603 563051851 /nfs/dbraw/zinc/05/18/51/563051851.db2.gz MWNBFYOQHQZLGD-VWLOTQADSA-N -1 0 485.642 5.353 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1N(Cc1ccc(C(=O)[O-])cc1OC)C(=O)c1ccccc1 ZINC000027896341 563053094 /nfs/dbraw/zinc/05/30/94/563053094.db2.gz CNDISIWWQCQRKS-UHFFFAOYSA-N -1 0 461.514 5.101 1 0 JKAFRM CCCc1c(OCc2ccc(C(=O)[O-])cc2OC)ccc(C(C)=O)c1OCc1ccc(OC)cc1 ZINC000027899636 563053263 /nfs/dbraw/zinc/05/32/63/563053263.db2.gz CDOAOBAOQCJCCK-UHFFFAOYSA-N -1 0 478.541 5.715 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2CCc2c(C)cc(C)cc2C)c1Br ZINC000028018360 563055136 /nfs/dbraw/zinc/05/51/36/563055136.db2.gz PSICFEQXOKBEBC-UHFFFAOYSA-N -1 0 469.426 5.318 1 0 JKAFRM CCCCC(CCCC)(CC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1)C(=O)[O-] ZINC000028091974 563055683 /nfs/dbraw/zinc/05/56/83/563055683.db2.gz XBNBASSLEBZZPC-UHFFFAOYSA-N -1 0 480.580 6.733 1 0 JKAFRM CCCCc1nn(CC(C)(C)C)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028244244 563058814 /nfs/dbraw/zinc/05/88/14/563058814.db2.gz YOKSQOSPAQYMKS-UHFFFAOYSA-N -1 0 472.593 5.408 1 0 JKAFRM CCCCc1nn(CC(C)C)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028248307 563058958 /nfs/dbraw/zinc/05/89/58/563058958.db2.gz UEBPGTOWOAVWNV-UHFFFAOYSA-N -1 0 458.566 5.018 1 0 JKAFRM O=C([O-])CCc1ccccc1CC1=C(c2nc(C(=O)NCCc3ccc(Cl)cc3)co2)CCCC1 ZINC000028257162 563059204 /nfs/dbraw/zinc/05/92/04/563059204.db2.gz FXOYNMOKXRISKQ-UHFFFAOYSA-N -1 0 493.003 5.888 1 0 JKAFRM C/C(Cc1ccccc1CCC(=O)[O-])=C(\C)c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 ZINC000028259163 563059346 /nfs/dbraw/zinc/05/93/46/563059346.db2.gz MBMSDPWJDWIMHE-ZCXUNETKSA-N -1 0 466.965 5.354 1 0 JKAFRM CC(C)c1ccc2c(c1)c(C(=O)CC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000028332252 563059705 /nfs/dbraw/zinc/05/97/05/563059705.db2.gz SMASQMIVJBSYQN-UHFFFAOYSA-N -1 0 482.064 7.739 1 0 JKAFRM C[C@@H]1C[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2ncc(C(=O)[O-])s2)CC(C)(C)C1 ZINC000028336071 563059920 /nfs/dbraw/zinc/05/99/20/563059920.db2.gz ZLQWPEVRGVSPQI-IEBWSBKVSA-N -1 0 464.587 6.495 1 0 JKAFRM O=C([O-])c1cccc(-n2c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c3c2CCCC3)c1 ZINC000028339042 563060231 /nfs/dbraw/zinc/06/02/31/563060231.db2.gz SIGUFMSHFRQPMQ-UHFFFAOYSA-N -1 0 464.518 5.147 1 0 JKAFRM O=C([O-])c1ccc(-n2c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c3c2CCCC3)cc1 ZINC000028340806 563060324 /nfs/dbraw/zinc/06/03/24/563060324.db2.gz MRUNBRCWAOLNQN-UHFFFAOYSA-N -1 0 464.518 5.147 1 0 JKAFRM Cc1cccc(/C=C/[C@H](O)c2ccccc2/C=C/C(=O)[O-])c1OCc1c(Cl)cccc1Cl ZINC000028342377 563060574 /nfs/dbraw/zinc/06/05/74/563060574.db2.gz ABHDIPZJDPNXNR-JHUFQFJFSA-N -1 0 469.364 6.725 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@H]3C(=O)[O-])c2)cc1C(F)(F)F ZINC000028352137 563061120 /nfs/dbraw/zinc/06/11/20/563061120.db2.gz WMECQBYXSNEKHN-NRFANRHFSA-N -1 0 486.559 7.095 1 0 JKAFRM COC(=O)N(CC(=O)[O-])C(=O)c1c(-c2ccc(Cl)cc2)ccc2c1ccc(OC)c2C(F)(F)F ZINC000028373855 563062528 /nfs/dbraw/zinc/06/25/28/563062528.db2.gz FNQAGEUIONIXMD-UHFFFAOYSA-N -1 0 495.837 5.481 1 0 JKAFRM O=C([O-])c1cc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2n1Cc1ccccc1 ZINC000028455640 563063938 /nfs/dbraw/zinc/06/39/38/563063938.db2.gz MPTVOCKJLMHNEQ-UHFFFAOYSA-N -1 0 482.561 5.856 1 0 JKAFRM O=c1cc(-c2ccccc2)oc2cc([O-])c(OCc3ccccc3)c(OCc3ccccc3)c12 ZINC000028462029 563064609 /nfs/dbraw/zinc/06/46/09/563064609.db2.gz MWPFOPYVFRHXRY-UHFFFAOYSA-N -1 0 450.490 6.324 1 0 JKAFRM CCCCCC[C@H](C(=O)[O-])c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 ZINC000028464447 563064839 /nfs/dbraw/zinc/06/48/39/563064839.db2.gz UUVXJGSGUYPTCO-IBGZPJMESA-N -1 0 453.564 5.508 1 0 JKAFRM O=C([O-])c1c(-c2ccccc2)c2cc(NC(=O)c3ccc(F)cc3F)ccc2n1Cc1ccccc1 ZINC000028465389 563064920 /nfs/dbraw/zinc/06/49/20/563064920.db2.gz XRBQLRQVAJIHKA-UHFFFAOYSA-N -1 0 482.486 6.585 1 0 JKAFRM O=C([O-])/C=C/c1cccc(N(Cc2ccc(-c3ccc4c(c3)OCO4)cc2)C(=O)C2CCCCC2)c1 ZINC000028470237 563065298 /nfs/dbraw/zinc/06/52/98/563065298.db2.gz OLBXNXKVSHVWLU-LFIBNONCSA-N -1 0 483.564 6.294 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccc(F)c(F)c1 ZINC000028471133 563065410 /nfs/dbraw/zinc/06/54/10/563065410.db2.gz NLKSNIQPBAIFBP-ODLFYWEKSA-N -1 0 474.257 5.375 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC[C@@H]2NCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000028471332 563065430 /nfs/dbraw/zinc/06/54/30/563065430.db2.gz MHUQOHMALHNVPU-QHCPKHFHSA-N -1 0 454.526 5.639 1 0 JKAFRM CN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc(/C=C/C(=O)[O-])c3)cc2)cc1 ZINC000028470793 563065440 /nfs/dbraw/zinc/06/54/40/563065440.db2.gz YPGHNFUBEOVBOX-DEDYPNTBSA-N -1 0 482.624 6.631 1 0 JKAFRM O=C([O-])/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccc3)cc2)C(=O)C2CCCCC2)c1 ZINC000028472549 563065521 /nfs/dbraw/zinc/06/55/21/563065521.db2.gz BUDXKOJJNWUYSN-SMOVNBQISA-N -1 0 465.593 7.068 1 0 JKAFRM O=C([O-])C[C@H](c1ccc(F)cc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028473967 563065687 /nfs/dbraw/zinc/06/56/87/563065687.db2.gz HWQHXIKXIJDPTP-RUZDIDTESA-N -1 0 459.521 5.219 1 0 JKAFRM Cc1cc(O)ccc1-c1cccc([C@@H](O)CC[C@H]2CCCC(=O)N2CCCCCCC(=O)[O-])c1 ZINC000028474900 563065839 /nfs/dbraw/zinc/06/58/39/563065839.db2.gz JBRGCJKNHBUIST-BVAGGSTKSA-N -1 0 467.606 5.597 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccc(F)cc1F ZINC000028474970 563065915 /nfs/dbraw/zinc/06/59/15/563065915.db2.gz BWRYIJCJVJMYOZ-ODLFYWEKSA-N -1 0 474.257 5.375 1 0 JKAFRM O=C([O-])c1ccc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)nc1 ZINC000028520911 563066292 /nfs/dbraw/zinc/06/62/92/563066292.db2.gz CHDHWRIOEXFMNA-UHFFFAOYSA-N -1 0 490.462 5.468 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)c(F)c3)nc2c1 ZINC000028525528 563067636 /nfs/dbraw/zinc/06/76/36/563067636.db2.gz MEALJAIJOPGHCB-FPYGCLRLSA-N -1 0 485.298 6.220 1 0 JKAFRM CC(C)C1=C2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1=O ZINC000028526193 563067825 /nfs/dbraw/zinc/06/78/25/563067825.db2.gz VNKYBLXIEWVHQC-CIRGTUKRSA-N -1 0 470.694 6.413 1 0 JKAFRM COc1cccc(Oc2c3ccc(Cl)nc3n(-c3ccc(C(C)(C)C)cc3)c2C(=O)[O-])c1 ZINC000028527317 563068104 /nfs/dbraw/zinc/06/81/04/563068104.db2.gz BJNDNICODBYMMF-UHFFFAOYSA-N -1 0 450.922 6.476 1 0 JKAFRM CC(C)(C)c1ccc(-n2c3ncccc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528732 563068358 /nfs/dbraw/zinc/06/83/58/563068358.db2.gz NXBPUZMZABUZCP-UHFFFAOYSA-N -1 0 454.448 6.832 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCc3ccc(-c4nc(-c5ccccc5)oc4C)cc3)ccc21 ZINC000028563143 563068970 /nfs/dbraw/zinc/06/89/70/563068970.db2.gz OFFKMILAGQAMMX-BDYUSTAISA-N -1 0 467.565 7.037 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cc5ccccc5s4)oc3C)ccc21 ZINC000028563874 563069060 /nfs/dbraw/zinc/06/90/60/563069060.db2.gz OUFVUVNMAQYSQI-IFMALSPDSA-N -1 0 461.583 6.627 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)ccc21 ZINC000028565569 563069349 /nfs/dbraw/zinc/06/93/49/563069349.db2.gz HHYHQMCULLJUOU-RBBKRZOGSA-N -1 0 473.491 6.431 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(COc4ccc(Cl)cc4)oc3C)ccc21 ZINC000028565363 563069357 /nfs/dbraw/zinc/06/93/57/563069357.db2.gz IZISSIGDVNWEKJ-JTHBVZDNSA-N -1 0 469.965 5.978 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21 ZINC000028565972 563069488 /nfs/dbraw/zinc/06/94/88/563069488.db2.gz VDMPSLVDONBYIE-PZJWPPBQSA-N -1 0 473.491 6.513 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)c(Cl)c4)oc3C)ccc21 ZINC000028565851 563069497 /nfs/dbraw/zinc/06/94/97/563069497.db2.gz SJYFDJBDUNUHJQ-AZUAARDMSA-N -1 0 474.384 6.719 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(OC)c(OC)c4)oc3C)ccc21 ZINC000028565901 563069504 /nfs/dbraw/zinc/06/95/04/563069504.db2.gz JNDFJWWAPSRXSK-RBBKRZOGSA-N -1 0 465.546 5.429 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(Br)cc21 ZINC000028566184 563069554 /nfs/dbraw/zinc/06/95/54/563069554.db2.gz NTNBMXKREDPFSS-MOPGFXCFSA-N -1 0 484.390 6.175 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cccc5ccccc54)oc3C)ccc21 ZINC000028566008 563069562 /nfs/dbraw/zinc/06/95/62/563069562.db2.gz RLGDPPYJQMPBGX-RDGATRHJSA-N -1 0 455.554 6.565 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc5ccccc5c4)oc3C)ccc21 ZINC000028566019 563069591 /nfs/dbraw/zinc/06/95/91/563069591.db2.gz YLNYVRMYGMHHFV-AZGAKELHSA-N -1 0 455.554 6.565 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)ccc21 ZINC000028566283 563069653 /nfs/dbraw/zinc/06/96/53/563069653.db2.gz LDACFVHWDBQOOJ-ZCYQVOJMSA-N -1 0 461.602 6.710 1 0 JKAFRM CCCCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@@H]4[C@H](CC)C(=O)[O-])c(C)o2)cc1 ZINC000028566279 563069671 /nfs/dbraw/zinc/06/96/71/563069671.db2.gz YHBVPHGRCOVIMF-AZGAKELHSA-N -1 0 461.602 6.755 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@@H](C(=O)[O-])c1ccccc1 ZINC000028566259 563069686 /nfs/dbraw/zinc/06/96/86/563069686.db2.gz KTOFVXDFZOKLJO-VPUSJEBWSA-N -1 0 453.538 6.170 1 0 JKAFRM COc1ccc(C(=O)c2ccc3c(-c4ccc(O[C@@H](Cc5ccccc5)C(=O)[O-])cc4)nocc2-3)cc1 ZINC000028566734 563069760 /nfs/dbraw/zinc/06/97/60/563069760.db2.gz SNTKKGBIEMAJJG-MHZLTWQESA-N -1 0 493.515 5.761 1 0 JKAFRM CCO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccc(Br)cc3)cc2)cc1)C(=O)[O-] ZINC000028568663 563070133 /nfs/dbraw/zinc/07/01/33/563070133.db2.gz LUSYGFMXWQDQAB-VWLOTQADSA-N -1 0 499.401 5.996 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccc(F)cc3)cc2)cc1)OC1CCCC1 ZINC000028569098 563070278 /nfs/dbraw/zinc/07/02/78/563070278.db2.gz NSGOYCCQTBKYRP-MUUNZHRXSA-N -1 0 478.560 6.296 1 0 JKAFRM CCc1ccc(-c2ccc(OCCCOc3ccc(C[C@H](OC4CCCC4)C(=O)[O-])cc3)cc2)cc1 ZINC000028570873 563070774 /nfs/dbraw/zinc/07/07/74/563070774.db2.gz MOHKCKHFTOAUIE-PMERELPUSA-N -1 0 488.624 6.719 1 0 JKAFRM CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000028571312 563070989 /nfs/dbraw/zinc/07/09/89/563070989.db2.gz KNJGJMPLAFPORU-UHFFFAOYSA-N -1 0 482.548 6.660 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)[O-])cc(=O)c3c2Br)ccc1O ZINC000028572096 563071278 /nfs/dbraw/zinc/07/12/78/563071278.db2.gz DXDHCVCAJKZAHT-UHFFFAOYSA-N -1 0 497.139 5.373 1 0 JKAFRM CC[C@@H](Cc1ccc(OCc2ccccc2)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000028652267 563074072 /nfs/dbraw/zinc/07/40/72/563074072.db2.gz ADFJDYBYPYXLEP-FQEVSTJZSA-N -1 0 485.502 5.868 1 0 JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000028654626 563074231 /nfs/dbraw/zinc/07/42/31/563074231.db2.gz QFPLAAZRZNKRRY-ABNKVAORSA-N -1 0 454.695 7.320 1 0 JKAFRM CCOC[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704685 563075216 /nfs/dbraw/zinc/07/52/16/563075216.db2.gz WMDITBUCSIRSPY-MRXNPFEDSA-N -1 0 458.498 5.301 1 0 JKAFRM CSc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028708807 563075951 /nfs/dbraw/zinc/07/59/51/563075951.db2.gz MTXQTFPRTGFPKR-UHFFFAOYSA-N -1 0 484.665 7.706 1 0 JKAFRM CCCCCCN(c1ccc(O)c(C(C)C)c1)c1c(C)cc(C[C@H]2SC(=O)[N-]C2=O)cc1C ZINC000028713847 563077332 /nfs/dbraw/zinc/07/73/32/563077332.db2.gz HYHPHPBTMIJDKR-XMMPIXPASA-N -1 0 468.663 6.745 1 0 JKAFRM O=C([O-])/C=C\C(=O)Nc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)ccc1O ZINC000028757970 563077961 /nfs/dbraw/zinc/07/79/61/563077961.db2.gz XBZZWTLKWFGIOI-MSUUIHNZSA-N -1 0 489.527 6.643 1 0 JKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000028759293 563078061 /nfs/dbraw/zinc/07/80/61/563078061.db2.gz ZUCWYECYVQNMLY-UHFFFAOYSA-N -1 0 455.942 5.024 1 0 JKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000028760877 563078206 /nfs/dbraw/zinc/07/82/06/563078206.db2.gz KCJUGIGXSYOOOU-OAQYLSRUSA-N -1 0 483.996 5.271 1 0 JKAFRM Cc1ccccc1Cc1cc(CCC(=O)[O-])c2c(c1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000028769358 563079095 /nfs/dbraw/zinc/07/90/95/563079095.db2.gz OXYQSYGWCHRCJV-XMMPIXPASA-N -1 0 498.044 5.092 1 0 JKAFRM Cc1ccccc1Cc1cc(CCC(=O)[O-])c2c(c1)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000028769360 563079107 /nfs/dbraw/zinc/07/91/07/563079107.db2.gz OXYQSYGWCHRCJV-DEOSSOPVSA-N -1 0 498.044 5.092 1 0 JKAFRM O=C([O-])c1cccc(C2=C(c3cc(Br)ccc3OCc3ccc(Cl)cc3)CCC2)c1 ZINC000028819244 563080413 /nfs/dbraw/zinc/08/04/13/563080413.db2.gz AKXHNFPIITUIEN-UHFFFAOYSA-N -1 0 483.789 7.474 1 0 JKAFRM CCO[C@@H](Cc1ccc(CC[C@H](OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028821995 563080954 /nfs/dbraw/zinc/08/09/54/563080954.db2.gz ANDWFMXOLLQHHC-SVBPBHIXSA-N -1 0 491.653 5.527 1 0 JKAFRM CCO[C@@H](Cc1ccc(CC[C@H](OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(=O)[O-] ZINC000028822021 563080964 /nfs/dbraw/zinc/08/09/64/563080964.db2.gz RGZOJUIBEVPUBK-UIOOFZCWSA-N -1 0 483.674 5.864 1 0 JKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cc2scc(CC(=O)[O-])c2cc1C ZINC000028822704 563081206 /nfs/dbraw/zinc/08/12/06/563081206.db2.gz HEJBWSQANOAUTK-UHFFFAOYSA-N -1 0 477.529 6.867 1 0 JKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cc2scc(CC(=O)[O-])c2c(Cl)c1 ZINC000028822705 563081208 /nfs/dbraw/zinc/08/12/08/563081208.db2.gz KQXRKZBFMUIPSS-UHFFFAOYSA-N -1 0 497.947 7.212 1 0 JKAFRM O=C([O-])Cn1ccc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc21 ZINC000028822720 563081210 /nfs/dbraw/zinc/08/12/10/563081210.db2.gz YAJRCQJLKBPIDO-UHFFFAOYSA-N -1 0 455.432 5.903 1 0 JKAFRM O=C([O-])Cc1coc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc12 ZINC000028822715 563081221 /nfs/dbraw/zinc/08/12/21/563081221.db2.gz VCBLIAOVKZSFHN-UHFFFAOYSA-N -1 0 456.416 6.237 1 0 JKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1CCC(=O)[O-] ZINC000028825478 563082145 /nfs/dbraw/zinc/08/21/45/563082145.db2.gz SWUZQDVMRRMTCS-UHFFFAOYSA-N -1 0 471.475 6.062 1 0 JKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(Cl)cc3C)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825469 563082154 /nfs/dbraw/zinc/08/21/54/563082154.db2.gz QNZSBQPWPIGOBL-UHFFFAOYSA-N -1 0 467.949 5.921 1 0 JKAFRM Cc1cc(Oc2cccc(CNC(=O)c3cc4c(cccc4Cl)[nH]3)c2)ccc1CCC(=O)[O-] ZINC000028825479 563082176 /nfs/dbraw/zinc/08/21/76/563082176.db2.gz NXOVPNGYQKFFLP-UHFFFAOYSA-N -1 0 462.933 5.869 1 0 JKAFRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000028870697 563084203 /nfs/dbraw/zinc/08/42/03/563084203.db2.gz VVRVRFVJUXEANH-UHFFFAOYSA-N -1 0 481.332 5.388 1 0 JKAFRM COc1ccc(NC(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000028870714 563084268 /nfs/dbraw/zinc/08/42/68/563084268.db2.gz RHDKBXMTRYDIST-UHFFFAOYSA-N -1 0 485.776 5.709 1 0 JKAFRM CC1=CCC[C@H]2[C@](C)(Cc3cc(O)cc(Sc4ccccc4C(=O)[O-])c3O)[C@@H](C)CC[C@]12C ZINC000028892016 563085195 /nfs/dbraw/zinc/08/51/95/563085195.db2.gz PXYOTUPOITWOPU-JWNPUDRZSA-N -1 0 466.643 7.289 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccc(F)cc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900755 563086029 /nfs/dbraw/zinc/08/60/29/563086029.db2.gz FEIXPYZPYIUNRN-DEOSSOPVSA-N -1 0 478.520 5.685 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccc(C)c(C)c2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900820 563086079 /nfs/dbraw/zinc/08/60/79/563086079.db2.gz ISWHVEGYYPFJDM-SANMLTNESA-N -1 0 488.584 6.162 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccc(O)cc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900861 563086089 /nfs/dbraw/zinc/08/60/89/563086089.db2.gz CHQISOITIMKMGJ-XMMPIXPASA-N -1 0 476.529 5.251 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccc(C)cc2C)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900807 563086104 /nfs/dbraw/zinc/08/61/04/563086104.db2.gz NPCOVXRHNOWSPC-RUZDIDTESA-N -1 0 488.584 6.162 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@@H]4C[C@@H]4C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952170 563087404 /nfs/dbraw/zinc/08/74/04/563087404.db2.gz HINFJNJYAGNCSO-WMZOPIPTSA-N -1 0 461.480 5.783 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@@H]4C[C@@H]4C(=O)[O-])ccc3OCC(F)(F)F)cc21 ZINC000028952265 563087475 /nfs/dbraw/zinc/08/74/75/563087475.db2.gz HMXAWPKQULWZCR-HKUYNNGSSA-N -1 0 475.507 5.825 1 0 JKAFRM Cc1cc2c(cc1-c1cc(CCC(=O)[O-])ccc1OCC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952261 563087487 /nfs/dbraw/zinc/08/74/87/563087487.db2.gz VWYFKXPNPXDHME-UHFFFAOYSA-N -1 0 477.523 6.043 1 0 JKAFRM CCCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952494 563087556 /nfs/dbraw/zinc/08/75/56/563087556.db2.gz NGWQWIAOPJHVQE-VQHVLOKHSA-N -1 0 461.480 6.083 1 0 JKAFRM C[C@H](CCN1CCC(=O)N1CCc1ccc(C(=O)[O-])cc1)Cc1cccc(CCc2ccccc2)c1 ZINC000028962130 563089070 /nfs/dbraw/zinc/08/90/70/563089070.db2.gz FXVFVYZJBYZZOG-XMMPIXPASA-N -1 0 484.640 5.431 1 0 JKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cccc([C@@](O)(C(=O)[O-])C(F)(F)F)c1 ZINC000028961423 563089078 /nfs/dbraw/zinc/08/90/78/563089078.db2.gz NDSBDYWZWQXNNI-HXUWFJFHSA-N -1 0 471.884 5.228 1 0 JKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3ccc(Cl)cc3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962522 563089110 /nfs/dbraw/zinc/08/91/10/563089110.db2.gz XNMVOLOKGAWIEC-QHCPKHFHSA-N -1 0 467.352 6.266 1 0 JKAFRM COc1ccc([C@H](Cc2cc(-c3ccc(Cl)cc3)n(-c3ccc(OC)cc3)n2)C(=O)[O-])cc1 ZINC000028962579 563089116 /nfs/dbraw/zinc/08/91/16/563089116.db2.gz VJWUMCCXGOSOHG-DEOSSOPVSA-N -1 0 462.933 5.621 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2nc(-c3ccccc3)[nH]c2CC23CC4CC(CC(C4)C2)C3)c1 ZINC000028965324 563089276 /nfs/dbraw/zinc/08/92/76/563089276.db2.gz ADEJXGSEAKUDLU-UHFFFAOYSA-N -1 0 455.558 5.786 1 0 JKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971916 563089678 /nfs/dbraw/zinc/08/96/78/563089678.db2.gz AHHRDMWAAXCONK-QGZVFWFLSA-N -1 0 482.524 5.562 1 0 JKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccc(CC(=O)[O-])cc3)c2)c1)S(C)(=O)=O ZINC000029037772 563090632 /nfs/dbraw/zinc/09/06/32/563090632.db2.gz MOLSWRBBUYJUNW-UHFFFAOYSA-N -1 0 459.567 5.476 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1F)c1n2CC[C@H]1CC(=O)[O-] ZINC000029053630 563093272 /nfs/dbraw/zinc/09/32/72/563093272.db2.gz BQQYPLXGBRDWSD-JTQLQIEISA-N -1 0 471.934 5.090 1 0 JKAFRM C[C@H]1C(=O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000029060482 563093879 /nfs/dbraw/zinc/09/38/79/563093879.db2.gz RVBCCBBWGJZXNN-UYMFLQPVSA-N -1 0 456.667 6.023 1 0 JKAFRM CCC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)[O-] ZINC000029127217 563095481 /nfs/dbraw/zinc/09/54/81/563095481.db2.gz CADIUVOXJVKRSR-WQHUXXBFSA-N -1 0 489.656 6.136 1 0 JKAFRM C=Cc1ccc(Cc2c(=O)c3ccccc3n(Cc3cc4c(cc3Cl)OCO4)c2C(=O)[O-])cc1 ZINC000029306370 563099702 /nfs/dbraw/zinc/09/97/02/563099702.db2.gz WLXXDIBSSDNYJW-UHFFFAOYSA-N -1 0 473.912 5.364 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2OCC)cc1 ZINC000029320235 563100123 /nfs/dbraw/zinc/10/01/23/563100123.db2.gz MUOHIXSZSNNHEE-RUZDIDTESA-N -1 0 459.546 5.344 1 0 JKAFRM Cc1oc(-c2cccc3ccccc32)nc1COc1ccc(CCC[C@@H]2OC(=O)[N-]C2=O)cc1 ZINC000029325133 563100396 /nfs/dbraw/zinc/10/03/96/563100396.db2.gz DCFUPPSTMGYHLQ-DEOSSOPVSA-N -1 0 456.498 5.340 1 0 JKAFRM Cc1oc(-c2cccc3ccccc32)nc1COc1ccc(CCC[C@H]2OC(=O)[N-]C2=O)cc1 ZINC000029325138 563100400 /nfs/dbraw/zinc/10/04/00/563100400.db2.gz DCFUPPSTMGYHLQ-XMMPIXPASA-N -1 0 456.498 5.340 1 0 JKAFRM CCCCC[C@@H](CCCOC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000029325146 563100413 /nfs/dbraw/zinc/10/04/13/563100413.db2.gz IUEZBXDATYBWIN-HNAYVOBHSA-N -1 0 460.398 5.149 1 0 JKAFRM Cc1oc(-c2ccc3ccccc3c2)nc1Cc1cc2cc(C[C@H]3OC(=O)[N-]C3=O)ccc2o1 ZINC000029329226 563100599 /nfs/dbraw/zinc/10/05/99/563100599.db2.gz RATZYFKFPHSDEW-XMMPIXPASA-N -1 0 452.466 5.318 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)cc1 ZINC000029333020 563100689 /nfs/dbraw/zinc/10/06/89/563100689.db2.gz AJGGEXGEYWLKKM-HSZRJFAPSA-N -1 0 484.383 6.252 1 0 JKAFRM C/C(=C\C(=O)[O-])c1cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OCC(F)F)s1 ZINC000029338322 563100921 /nfs/dbraw/zinc/10/09/21/563100921.db2.gz HDGYNNANHOVHIN-LFIBNONCSA-N -1 0 486.624 8.295 1 0 JKAFRM COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4cccc(C(=O)[O-])c4)CC[C@@H]3C2(C)C)cc1 ZINC000029391379 563101774 /nfs/dbraw/zinc/10/17/74/563101774.db2.gz VDLQTPPLSXZZBG-VCHQRZIOSA-N -1 0 450.619 6.764 1 0 JKAFRM CC(=O)O[C@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@@H]2CC(=O)[O-])C(=O)O1 ZINC000029404940 563102827 /nfs/dbraw/zinc/10/28/27/563102827.db2.gz LJWCNBPIYCPRID-DRRRUPLCSA-N -1 0 478.670 6.215 1 0 JKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(cc3C(=O)[O-])C[C@H](O)CC[C@@H](C)CCC[C@@]21C ZINC000029406221 563102915 /nfs/dbraw/zinc/10/29/15/563102915.db2.gz STXMFQXJBAKHCC-QZWYKDAKSA-N -1 0 456.711 7.851 1 0 JKAFRM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000029409637 563103110 /nfs/dbraw/zinc/10/31/10/563103110.db2.gz TXQZGDBIKKLQRY-UHFFFAOYSA-N -1 0 452.362 7.572 1 0 aggregator JKAFRM C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])CC(=O)CC1 ZINC000029410766 563103151 /nfs/dbraw/zinc/10/31/51/563103151.db2.gz CHSUASFCRFONQW-YEGBQVPISA-N -1 0 452.679 7.979 1 0 JKAFRM O=C([O-])[C@@H]1CC(=O)c2c(ccc(Cl)c2OCc2ccc(OCc3ccc4ccccc4n3)cc2)O1 ZINC000029411798 563103283 /nfs/dbraw/zinc/10/32/83/563103283.db2.gz HVZCDDWQNMUVJM-DEOSSOPVSA-N -1 0 489.911 5.465 1 0 JKAFRM C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])C[C@@H](O)CC1 ZINC000029412957 563103381 /nfs/dbraw/zinc/10/33/81/563103381.db2.gz DMANGOFWCGEISU-NODNFWJCSA-N -1 0 454.695 7.771 1 0 JKAFRM CCCCC1=N[C@@](C)(C[C@H](C)CC(C)C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029413235 563103483 /nfs/dbraw/zinc/10/34/83/563103483.db2.gz SZNQOMKIVJWSOF-PBBNMVCDSA-N -1 0 462.634 6.814 1 0 JKAFRM CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C(F)(F)F)c(C(=O)[O-])s1 ZINC000029461823 563103815 /nfs/dbraw/zinc/10/38/15/563103815.db2.gz UTYKHRLLTOJECH-UHFFFAOYSA-N -1 0 488.495 5.124 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)[C@H](c3ccccc3)C3CCCC3)cc21 ZINC000029478129 563105012 /nfs/dbraw/zinc/10/50/12/563105012.db2.gz GRFDCAMVRAEYJN-MUUNZHRXSA-N -1 0 482.580 6.309 1 0 JKAFRM C[C@@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(C(=O)[O-])c1 ZINC000029480177 563105274 /nfs/dbraw/zinc/10/52/74/563105274.db2.gz TUKZDRAVAURZLG-AHHCZTPTSA-N -1 0 479.529 5.386 1 0 JKAFRM O=C([O-])CCc1cc(Br)c(O)c(-c2[nH]c3ccccc3c2Cc2ccccc2)c1 ZINC000029481128 563105357 /nfs/dbraw/zinc/10/53/57/563105357.db2.gz NOQTUMKKILJDSZ-UHFFFAOYSA-N -1 0 450.332 5.911 1 0 JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000029544474 563105797 /nfs/dbraw/zinc/10/57/97/563105797.db2.gz PHFUCJXOLZAQNH-CUNHGZHSSA-N -1 0 498.748 7.660 1 0 JKAFRM CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1ccc(C(=O)OCC)cc1 ZINC000029547073 563105976 /nfs/dbraw/zinc/10/59/76/563105976.db2.gz NOIGSKNWPPIMOZ-XSFVSMFZSA-N -1 0 452.576 5.223 1 0 JKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCC(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029546373 563106030 /nfs/dbraw/zinc/10/60/30/563106030.db2.gz HAVIXGRYNLZBRA-FQEVSTJZSA-N -1 0 488.487 5.378 1 0 JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000029550728 563106300 /nfs/dbraw/zinc/10/63/00/563106300.db2.gz WCGUUGGRBIKTOS-MGTWAYBYSA-N -1 0 456.711 7.090 1 0 JKAFRM [O-]c1c(Br)cc(Br)cc1-c1nnc(-c2ccc(Oc3ccccc3)cc2)[nH]1 ZINC000029562199 563107099 /nfs/dbraw/zinc/10/70/99/563107099.db2.gz JUHLVWSHKVSKLH-UHFFFAOYSA-N -1 0 487.151 6.162 1 0 JKAFRM CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(=O)[O-])c1Cc1cc(C)cc(C)c1 ZINC000029563360 563107182 /nfs/dbraw/zinc/10/71/82/563107182.db2.gz OZHRODXTOKPOOU-UHFFFAOYSA-N -1 0 454.611 6.010 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000032022921 563109313 /nfs/dbraw/zinc/10/93/13/563109313.db2.gz ADBMMSFXIFGNAX-MDAIVZGXSA-N -1 0 472.710 6.206 1 0 in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000032296538 563109639 /nfs/dbraw/zinc/10/96/39/563109639.db2.gz KICUTMUDQMLBSF-CYDBUDFLSA-N -1 0 454.695 7.154 1 0 JKAFRM Cc1nc(C(=O)COc2ccc(SCCCCCc3ccccc3)cc2)sc1CCCC(=O)[O-] ZINC000033990782 563111485 /nfs/dbraw/zinc/11/14/85/563111485.db2.gz JVDPEFXYFQJXGZ-UHFFFAOYSA-N -1 0 497.682 6.626 1 0 JKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1Cn1ccc2cc(C[C@H](OC(C)C)C(=O)[O-])ccc21 ZINC000034210397 563112587 /nfs/dbraw/zinc/11/25/87/563112587.db2.gz PABWXIBCXIQVPC-QHCPKHFHSA-N -1 0 486.490 6.093 1 0 JKAFRM O=S(=O)([N-]c1cc(F)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000034248492 563112696 /nfs/dbraw/zinc/11/26/96/563112696.db2.gz QETXNFTVAKZKBG-UHFFFAOYSA-N -1 0 482.147 6.427 1 0 JKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(C(C)=O)c1O ZINC000034274881 563112933 /nfs/dbraw/zinc/11/29/33/563112933.db2.gz VMTGXLWOZMJHCP-XMMPIXPASA-N -1 0 470.562 5.126 1 0 JKAFRM C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/C(C)(C)C)oc3C)ccc2C[C@H]1C(=O)[O-] ZINC000034395734 563113519 /nfs/dbraw/zinc/11/35/19/563113519.db2.gz YGDZMPWWLQYQQR-MPICRWLTSA-N -1 0 478.589 5.134 1 0 JKAFRM Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)[O-])c3nnnn3C)cc2)c1 ZINC000034603674 563114042 /nfs/dbraw/zinc/11/40/42/563114042.db2.gz QWPQICKVJSVYNB-QHCPKHFHSA-N -1 0 462.937 5.025 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](COC(C)(C)C)C(=O)[O-])c(C)c1 ZINC000034663120 563114598 /nfs/dbraw/zinc/11/45/98/563114598.db2.gz AXPIVZSOTIKADO-QHCPKHFHSA-N -1 0 491.588 5.407 1 0 JKAFRM CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3cc(Cl)cc(Cl)c3)oc2C)c1)C(=O)[O-] ZINC000034717691 563114697 /nfs/dbraw/zinc/11/46/97/563114697.db2.gz RQMKNZHMAWCBJL-QFIPXVFZSA-N -1 0 473.356 5.992 1 0 JKAFRM CCC[C@H](CCOc1ccc(CCC(=O)[O-])c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1 ZINC000034717708 563114780 /nfs/dbraw/zinc/11/47/80/563114780.db2.gz YLVMSBDGHFKFGT-AREMUKBSSA-N -1 0 488.624 6.822 1 0 JKAFRM CCc1ccc(O[C@@H](CC)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(C(=O)c2ccccc2)c1 ZINC000034717713 563114784 /nfs/dbraw/zinc/11/47/84/563114784.db2.gz KEUWMDZMXVQKJB-VWLOTQADSA-N -1 0 474.597 6.432 1 0 JKAFRM Cc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(=O)[O-] ZINC000034717711 563114794 /nfs/dbraw/zinc/11/47/94/563114794.db2.gz ZARBOTMPCCXOHE-LJQANCHMSA-N -1 0 454.950 6.694 1 0 JKAFRM CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1O[C@@H](CC)C(=O)[O-] ZINC000034751160 563114948 /nfs/dbraw/zinc/11/49/48/563114948.db2.gz DKTWJFBNXZNLCC-QFIPXVFZSA-N -1 0 458.551 5.200 1 0 JKAFRM O=C(Nc1ccc(Cl)cc1)c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O ZINC000035017443 563118311 /nfs/dbraw/zinc/11/83/11/563118311.db2.gz LIXBMWCVXJMOPR-UHFFFAOYSA-N -1 0 474.731 5.546 1 0 JKAFRM C[C@H](C(=O)NCCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035050528 563118487 /nfs/dbraw/zinc/11/84/87/563118487.db2.gz GAXGWRBRFSCRTB-YATFVDHGSA-N -1 0 473.698 5.714 1 0 JKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccccc3Br)c2c1 ZINC000035079454 563118859 /nfs/dbraw/zinc/11/88/59/563118859.db2.gz KGJUCUMLYSCQSF-LBPRGKRZSA-N -1 0 492.778 5.636 1 0 JKAFRM CCCc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3ccc([C@@H](C)C(=O)[O-])cc32)cc1 ZINC000035079468 563118889 /nfs/dbraw/zinc/11/88/89/563118889.db2.gz SZOUDTOEFMROHW-OAHLLOKOSA-N -1 0 455.963 5.826 1 0 JKAFRM O=C([O-])c1c(O)c(Cc2cn(C(=O)Cc3ccccc3)c3ccccc23)nc2c1ccc1c2CCCC1 ZINC000035087075 563119022 /nfs/dbraw/zinc/11/90/22/563119022.db2.gz LAWFXNHFMGBDAI-UHFFFAOYSA-N -1 0 490.559 5.946 1 0 JKAFRM O=C1c2ccsc2/C(=C\c2cc(Br)c([O-])c(Br)c2)c2ccccc21 ZINC000035080118 563119038 /nfs/dbraw/zinc/11/90/38/563119038.db2.gz GKXJPIOKFRDUOL-AUWJEWJLSA-N -1 0 462.162 6.112 1 0 JKAFRM CS(=O)(=O)c1ccc(-c2cccc3c2nc(-c2ccc(Cl)cc2)c(O)c3C(=O)[O-])cc1 ZINC000035086997 563119044 /nfs/dbraw/zinc/11/90/44/563119044.db2.gz MMWBPPNJSYXAAT-UHFFFAOYSA-N -1 0 453.903 5.030 1 0 JKAFRM O=C([O-])c1c2ccc3c(c2nc(Cc2ccc(Cl)cc2)c1OC(=O)c1cccs1)CCCC3 ZINC000035087082 563119125 /nfs/dbraw/zinc/11/91/25/563119125.db2.gz WABIQCOOUYQRKA-UHFFFAOYSA-N -1 0 477.969 6.337 1 0 JKAFRM O=C([O-])c1c2ccc3c(c2nc(Cc2ccc(Cl)cc2)c1OC(=O)c1ccccc1)CCCC3 ZINC000035087083 563119139 /nfs/dbraw/zinc/11/91/39/563119139.db2.gz XYQUREUIGPWXDJ-UHFFFAOYSA-N -1 0 471.940 6.275 1 0 JKAFRM Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000035246694 563119497 /nfs/dbraw/zinc/11/94/97/563119497.db2.gz LMDJVQZMFVCXPC-UHFFFAOYSA-N -1 0 478.492 5.309 1 0 JKAFRM Cc1nc(-c2ccccc2C(F)(F)F)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000035246717 563119542 /nfs/dbraw/zinc/11/95/42/563119542.db2.gz CBLOILAXMBDKEP-UHFFFAOYSA-N -1 0 478.492 5.309 1 0 JKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000035246685 563119548 /nfs/dbraw/zinc/11/95/48/563119548.db2.gz MXLBTPCODWDTKF-UHFFFAOYSA-N -1 0 464.465 5.632 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@@H](C(=O)[O-])c1ccccc1OC ZINC000036175949 563123196 /nfs/dbraw/zinc/12/31/96/563123196.db2.gz MBVFXDSKQKPYPC-HHHXNRCGSA-N -1 0 487.600 5.825 1 0 JKAFRM CCCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@@H](C(=O)[O-])c1ccccc1 ZINC000036176018 563123201 /nfs/dbraw/zinc/12/32/01/563123201.db2.gz OHWWHDYWWNVNEK-HHHXNRCGSA-N -1 0 471.601 6.206 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(C(C)C)c1 ZINC000036176001 563123221 /nfs/dbraw/zinc/12/32/21/563123221.db2.gz YXCTZWLWOZHFGW-AREMUKBSSA-N -1 0 457.574 5.987 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@H](C(=O)[O-])c1ccccc1OC ZINC000036175945 563123248 /nfs/dbraw/zinc/12/32/48/563123248.db2.gz MBVFXDSKQKPYPC-MHZLTWQESA-N -1 0 487.600 5.825 1 0 JKAFRM O=C(c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1cccc(C(F)(F)F)c1 ZINC000036184643 563123687 /nfs/dbraw/zinc/12/36/87/563123687.db2.gz MBROMYCSWUROIL-UHFFFAOYSA-N -1 0 493.268 5.890 1 0 JKAFRM CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1O[C@H](C(=O)[O-])CC2 ZINC000036189747 563124035 /nfs/dbraw/zinc/12/40/35/563124035.db2.gz DUJZETRWEYFSCU-VWLOTQADSA-N -1 0 484.589 5.429 1 0 JKAFRM CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2c1O[C@@H](C(=O)[O-])CC2 ZINC000036189749 563124037 /nfs/dbraw/zinc/12/40/37/563124037.db2.gz DUJZETRWEYFSCU-RUZDIDTESA-N -1 0 484.589 5.429 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(C2=C(C(=O)[O-])[C@H](C)c3ccccc32)cc1 ZINC000036222525 563124624 /nfs/dbraw/zinc/12/46/24/563124624.db2.gz YQEUKGSLGININM-LJQANCHMSA-N -1 0 451.570 6.053 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@]2(CC(=O)[O-])CC(=O)c3ccccc32)cc1 ZINC000036222497 563124651 /nfs/dbraw/zinc/12/46/51/563124651.db2.gz BDZLHOMFMSLJRY-GDLZYMKVSA-N -1 0 467.569 5.396 1 0 JKAFRM COc1cc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)oc2c(-c2cnccc2OC)c1 ZINC000036241896 563124685 /nfs/dbraw/zinc/12/46/85/563124685.db2.gz ZQBRCVAWKXASLB-UHFFFAOYSA-N -1 0 480.329 5.015 1 0 JKAFRM COc1cc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)oc2c(-c2ccc(O)cc2)c1 ZINC000036241881 563124738 /nfs/dbraw/zinc/12/47/38/563124738.db2.gz JQPBYVIEMVOUFU-UHFFFAOYSA-N -1 0 465.314 5.317 1 0 JKAFRM CSc1ccccc1OC(C)(C)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1 ZINC000036242307 563124823 /nfs/dbraw/zinc/12/48/23/563124823.db2.gz XXPWPQBCBTVEOV-PMPBWVOASA-N -1 0 457.592 5.502 1 0 JKAFRM CSc1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)[O-])[C@H](c3cccnc3)O2)cc1 ZINC000036242524 563124907 /nfs/dbraw/zinc/12/49/07/563124907.db2.gz IXDVHMMYGBQKIG-FYFQDWPSSA-N -1 0 457.592 5.502 1 0 JKAFRM CSc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c3cccnc3)O2)cc1 ZINC000036242520 563124927 /nfs/dbraw/zinc/12/49/27/563124927.db2.gz IXDVHMMYGBQKIG-PMPBWVOASA-N -1 0 457.592 5.502 1 0 JKAFRM Cc1ccccc1S(=O)(=O)N1[C@H](c2ccc(Cl)cc2)CC=C(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000036387307 563129165 /nfs/dbraw/zinc/12/91/65/563129165.db2.gz BMDFDYSYQAURQM-UPVQGACJSA-N -1 0 467.974 5.536 3 0 JKAFRM CCc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387334 563129260 /nfs/dbraw/zinc/12/92/60/563129260.db2.gz JYDUESUHDBWWJS-UIOOFZCWSA-N -1 0 479.573 5.585 3 0 JKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387333 563129261 /nfs/dbraw/zinc/12/92/61/563129261.db2.gz CGKNOTFAJFVDCV-DQEYMECFSA-N -1 0 465.546 5.331 3 0 JKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387348 563129267 /nfs/dbraw/zinc/12/92/67/563129267.db2.gz BYLJHSLJALYJJF-DQEYMECFSA-N -1 0 482.001 5.845 3 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(C)c1ccc(CC(=O)[O-])c(Cl)c1 ZINC000037866921 563131093 /nfs/dbraw/zinc/13/10/93/563131093.db2.gz JRJIJEXVKDFRTL-UHFFFAOYSA-N -1 0 484.902 5.985 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000038147849 563131885 /nfs/dbraw/zinc/13/18/85/563131885.db2.gz OLFPZLNUGARNGY-AZGAKELHSA-N -1 0 467.565 6.989 1 0 JKAFRM CCC[C@@H](Oc1ccc(-c2ccc(CC(C)C)cc2)nc1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000038227290 563133392 /nfs/dbraw/zinc/13/33/92/563133392.db2.gz AREUABAZAWIIIU-HHHXNRCGSA-N -1 0 474.601 6.072 1 0 JKAFRM O=C([O-])[C@@H]1CCCN(c2ccc3c(ccc(Cl)c3C(=O)NCC34CC5CC(CC(C5)C3)C4)n2)C1 ZINC000038270133 563133750 /nfs/dbraw/zinc/13/37/50/563133750.db2.gz HWPQKJVPHYACTA-FBAAUGBDSA-N -1 0 482.024 5.135 1 0 JKAFRM Cc1ccccc1-c1ccc(-c2cc(C(=O)NCc3ccc(OC(C)(C)C(=O)[O-])c(C)c3)nn2C)cc1 ZINC000038336531 563133965 /nfs/dbraw/zinc/13/39/65/563133965.db2.gz BIPCJUYHEQBDLC-UHFFFAOYSA-N -1 0 497.595 5.543 1 0 JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@@]2(O)[C@]1(C)[C@H](O)C3 ZINC000038515911 563134967 /nfs/dbraw/zinc/13/49/67/563134967.db2.gz PLEQWDWYBBEGIT-ZTSHXWEVSA-N -1 0 486.693 5.672 1 0 JKAFRM COc1cc([O-])c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C(c1ccccc1)c1ccccc1 ZINC000039108737 563136169 /nfs/dbraw/zinc/13/61/69/563136169.db2.gz WBWIEKSJBZSNLC-FOCLMDBBSA-N -1 0 465.505 6.385 1 0 JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@](C)(CCC(=O)[C@]4(C)CO)[C@H]3CC[C@@]12C ZINC000039183214 563136322 /nfs/dbraw/zinc/13/63/22/563136322.db2.gz VOAKMNNRISZQAG-GJFGDYKQSA-N -1 0 470.694 6.580 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000039560125 563136798 /nfs/dbraw/zinc/13/67/98/563136798.db2.gz YKOPWPOFWMYZJZ-QQJPSCSVSA-N -1 0 472.710 6.204 3 0 JKAFRM Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000040390875 563137742 /nfs/dbraw/zinc/13/77/42/563137742.db2.gz LSETZGXFLJVLBC-JOCHJYFZSA-N -1 0 493.972 6.063 1 0 JKAFRM C/C(=C\CCC(=O)Nc1ccc(-c2ccc(OCC(=O)[O-])cc2)cc1Cl)c1ccc(C)cc1Cl ZINC000040402163 563139568 /nfs/dbraw/zinc/13/95/68/563139568.db2.gz JGEXIGKIMXNLEM-JJPRUIFNSA-N -1 0 498.406 7.254 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000040412069 563140851 /nfs/dbraw/zinc/14/08/51/563140851.db2.gz NBQKNTHBFZEQQO-AJNNAGPSSA-N -1 0 479.705 7.047 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](OCC(C)C)C(=O)[O-])c2sccc21 ZINC000040413454 563141055 /nfs/dbraw/zinc/14/10/55/563141055.db2.gz KQXDPYDFFKAXBV-XMMPIXPASA-N -1 0 479.598 6.155 1 0 JKAFRM COc1ccc(Cl)cc1NC(=O)Nc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000040420300 563141287 /nfs/dbraw/zinc/14/12/87/563141287.db2.gz ILFMTMPESWTTCK-RYRVMRHHSA-N -1 0 499.051 7.211 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)cc4F)c(F)c3)nc2c1 ZINC000040431281 563143831 /nfs/dbraw/zinc/14/38/31/563143831.db2.gz UZYMSHUSAJCYOX-XBXARRHUSA-N -1 0 452.388 5.191 1 0 JKAFRM COc1ccc([C@]2(C)c3cc(C(=O)[O-])sc3C(=O)c3c2c2ccccc2n3Cc2ccccc2)cc1 ZINC000040466042 563144323 /nfs/dbraw/zinc/14/43/23/563144323.db2.gz IROWZHNZQNSDCB-SSEXGKCCSA-N -1 0 493.584 6.357 1 0 JKAFRM O=C(Nc1ccc2ccccc2c1)[C@H](c1csc2ccc(Cl)cc21)[P@@](=O)([O-])c1ccccc1 ZINC000040752836 563147712 /nfs/dbraw/zinc/14/77/12/563147712.db2.gz RPCJHNXQLYCBOF-VWLOTQADSA-N -1 0 491.936 6.984 1 0 JKAFRM CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cccc1Cl)C(=O)[O-] ZINC000040835017 563148920 /nfs/dbraw/zinc/14/89/20/563148920.db2.gz BRGGPINUBORHSD-FPTDNZKUSA-N -1 0 467.953 5.675 1 0 JKAFRM Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000040863757 563150714 /nfs/dbraw/zinc/15/07/14/563150714.db2.gz CHIWWGFDYPXKRG-NRFANRHFSA-N -1 0 467.953 5.675 1 0 JKAFRM CCCC[C@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)[O-] ZINC000040866291 563151151 /nfs/dbraw/zinc/15/11/51/563151151.db2.gz KYRBYBXVVWQIJQ-QFIPXVFZSA-N -1 0 466.603 5.455 1 0 JKAFRM CN1C(=O)[C@]2(C[C@@H]2C(=O)[O-])C[C@@H]1c1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)c(F)c1 ZINC000040896920 563154055 /nfs/dbraw/zinc/15/40/55/563154055.db2.gz INJZRGNTMDWYSJ-BCAKYAHRSA-N -1 0 496.538 5.614 1 0 JKAFRM CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@H]1CC(=O)[O-] ZINC000040914542 563155263 /nfs/dbraw/zinc/15/52/63/563155263.db2.gz AZEWLQWEZLEILO-NSHDSACASA-N -1 0 485.414 5.250 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c(C)c1 ZINC000040919077 563156584 /nfs/dbraw/zinc/15/65/84/563156584.db2.gz FILJYSXRNCVZKZ-RUZDIDTESA-N -1 0 489.572 5.019 1 0 JKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Sc3ccc(F)cc3)c(Sc3ccc(F)cc3)c21 ZINC000040933864 563157048 /nfs/dbraw/zinc/15/70/48/563157048.db2.gz LWQIOGZHWITKIY-UHFFFAOYSA-N -1 0 487.524 6.439 1 0 JKAFRM O=C([O-])c1c(Nc2ccc(CCc3ccc(Cl)c(Cl)c3)cc2)cccc1C(F)(F)F ZINC000040935901 563157797 /nfs/dbraw/zinc/15/77/97/563157797.db2.gz FMUXMGOMUFSCOU-UHFFFAOYSA-N -1 0 454.275 7.239 1 0 JKAFRM CCCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)[O-] ZINC000040938625 563158508 /nfs/dbraw/zinc/15/85/08/563158508.db2.gz DVIBSRAWYQNSOH-SANMLTNESA-N -1 0 459.542 5.847 1 0 JKAFRM CCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 ZINC000040938495 563158509 /nfs/dbraw/zinc/15/85/09/563158509.db2.gz LFMGEACIOLPIDE-PKTZIBPZSA-N -1 0 470.352 6.561 1 0 JKAFRM O=c1c2ccc([O-])cc2oc(CCCc2ccc(O)cc2)c1Cc1ccc(-c2ccccc2)cc1 ZINC000040953301 563160148 /nfs/dbraw/zinc/16/01/48/563160148.db2.gz DDTGEGAYIBYBIY-UHFFFAOYSA-N -1 0 462.545 6.637 1 0 JKAFRM CC(C)c1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040973240 563161464 /nfs/dbraw/zinc/16/14/64/563161464.db2.gz LECMRDVZFVTZAH-XSBVVTFOSA-N -1 0 487.562 7.176 1 0 JKAFRM CC(C)c1cc2c(cc1NC(=O)c1ccccc1C(F)(F)F)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040974054 563161679 /nfs/dbraw/zinc/16/16/79/563161679.db2.gz OAOSMWGHJOFHSK-XSBVVTFOSA-N -1 0 487.562 7.176 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000040976192 563162067 /nfs/dbraw/zinc/16/20/67/563162067.db2.gz YBQHMGFOAOJZCG-PDGODTHUSA-N -1 0 472.710 6.062 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000042891354 563163573 /nfs/dbraw/zinc/16/35/73/563163573.db2.gz NZCULBURCGAPSF-OQCQIIONSA-N -1 0 472.710 6.062 1 0 in-vivo JKAFRM CCCC[C@@H](Sc1ccc(OCCCOc2ccc(Cl)c(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000043022411 563165151 /nfs/dbraw/zinc/16/51/51/563165151.db2.gz ASHJFOIBKHRPEA-HXUWFJFHSA-N -1 0 476.944 6.942 1 0 JKAFRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3sccc3-c3nc4ccccc4s3)cc2)cc1 ZINC000043024659 563165358 /nfs/dbraw/zinc/16/53/58/563165358.db2.gz REZVMBRTPXAZNR-UHFFFAOYSA-N -1 0 462.621 6.801 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1 ZINC000043067544 563166163 /nfs/dbraw/zinc/16/61/63/563166163.db2.gz FZLHTLQECIZBNL-UHFFFAOYSA-N -1 0 456.492 5.724 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)c1-c1nc2ccccc2s1 ZINC000043067541 563166172 /nfs/dbraw/zinc/16/61/72/563166172.db2.gz MYUKSUFIXUZEBS-UHFFFAOYSA-N -1 0 497.066 7.454 1 0 JKAFRM COCCOCOc1cc(C)c(-c2ccc(CC(=O)[O-])cc2Cl)cc1C12CC3CC(CC(C3)C1)C2 ZINC000043074987 563166609 /nfs/dbraw/zinc/16/66/09/563166609.db2.gz HDBFHIYGUZDEQB-UHFFFAOYSA-N -1 0 499.047 6.410 1 0 JKAFRM O=C([O-])c1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C(=O)c2ccccc2)cc1 ZINC000043075212 563166633 /nfs/dbraw/zinc/16/66/33/563166633.db2.gz BJRPFQTWNASCQG-UHFFFAOYSA-N -1 0 487.515 5.721 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1-c1nc2ccccc2s1 ZINC000043076596 563166682 /nfs/dbraw/zinc/16/66/82/563166682.db2.gz LKNCLGGDHIVKID-UHFFFAOYSA-N -1 0 455.413 6.441 1 0 JKAFRM Cc1nccc(-c2cccc(S(=O)(=O)[N-]c3sccc3-c3nc4ccccc4s3)c2)n1 ZINC000043119181 563167176 /nfs/dbraw/zinc/16/71/76/563167176.db2.gz VJXRFGZIRQCRCY-UHFFFAOYSA-N -1 0 464.597 5.591 1 0 JKAFRM COc1ccc([C@@H](c2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)c2ccccn2)cc1 ZINC000043101538 563167191 /nfs/dbraw/zinc/16/71/91/563167191.db2.gz VQLQSPXLCMPBHR-JOCHJYFZSA-N -1 0 450.947 5.674 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000043120739 563167531 /nfs/dbraw/zinc/16/75/31/563167531.db2.gz QTYWVPHQLOEFTC-UHFFFAOYSA-N -1 0 474.938 6.498 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000043121434 563167533 /nfs/dbraw/zinc/16/75/33/563167533.db2.gz KJCCOYGEOVZPIT-UHFFFAOYSA-N -1 0 483.039 7.146 1 0 JKAFRM O=C([O-])CC1CCC(c2ccc(-c3cnc(Nc4ccc(C(F)(F)F)cc4Cl)o3)cc2)CC1 ZINC000043174255 563168118 /nfs/dbraw/zinc/16/81/18/563168118.db2.gz NYCQAEZGKZHGFM-UHFFFAOYSA-N -1 0 478.898 7.506 1 0 JKAFRM O=C([O-])C[C@H]1CCc2c3cc(-c4noc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)n4)ccc3[nH]c21 ZINC000043206583 563168756 /nfs/dbraw/zinc/16/87/56/563168756.db2.gz CCLTTWWUBZAGLM-SNVBAGLBSA-N -1 0 495.379 6.427 1 0 JKAFRM C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(=O)[O-] ZINC000043938942 563171415 /nfs/dbraw/zinc/17/14/15/563171415.db2.gz ICVCUOLJHZIXBL-JFDQKESXSA-N -1 0 490.725 5.399 1 0 JKAFRM C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(=O)[O-] ZINC000043938940 563171431 /nfs/dbraw/zinc/17/14/31/563171431.db2.gz ICVCUOLJHZIXBL-RQTAIFRDSA-N -1 0 490.725 5.399 1 0 JKAFRM C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC=C1C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](O)[C@]4(C)C(=O)[O-])[C@H]3CC[C@@H]12 ZINC000044351079 563172169 /nfs/dbraw/zinc/17/21/69/563172169.db2.gz ISFIVPSZFJMIOJ-LTVWIFDFSA-N -1 0 488.709 5.177 1 0 JKAFRM CC(C)=CCC[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@@]4(C)C(=O)[O-] ZINC000044404081 563172452 /nfs/dbraw/zinc/17/24/52/563172452.db2.gz VWNUHNZMJZXAEG-KBXQAUFNSA-N -1 0 488.709 5.175 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000045244847 563181445 /nfs/dbraw/zinc/18/14/45/563181445.db2.gz KMCJHDQNROFVKK-IYXVXCLMSA-N -1 0 490.732 7.377 1 0 JKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(CCC[C@@H](C)CCCC(C)C)O2 ZINC000045324078 563189039 /nfs/dbraw/zinc/18/90/39/563189039.db2.gz XPXBCMDPEHZQGL-VKGTZQKMSA-N -1 0 460.655 7.098 1 0 JKAFRM CC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)(c2ccccc2)CC1 ZINC000045338589 563190902 /nfs/dbraw/zinc/19/09/02/563190902.db2.gz KCGZQDCIVWKSRJ-UHFFFAOYSA-N -1 0 454.979 5.019 1 0 JKAFRM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-] ZINC000045354993 563192214 /nfs/dbraw/zinc/19/22/14/563192214.db2.gz VWAJGZMJLDKULL-MHZLTWQESA-N -1 0 459.586 6.108 1 0 JKAFRM CC(C)C[C@H](Cc1ccccc1)NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-] ZINC000045356307 563192440 /nfs/dbraw/zinc/19/24/40/563192440.db2.gz XOACQTOEVJGFFE-RUZDIDTESA-N -1 0 459.586 5.670 1 0 JKAFRM CCN(Cc1ccncc1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1 ZINC000045356939 563192523 /nfs/dbraw/zinc/19/25/23/563192523.db2.gz VWJPMUIMHFVEGK-UHFFFAOYSA-N -1 0 485.584 6.091 1 0 JKAFRM CS(=O)(=O)c1cccc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])c1 ZINC000045358923 563192780 /nfs/dbraw/zinc/19/27/80/563192780.db2.gz SSDHMUHDOKIHJT-UHFFFAOYSA-N -1 0 499.560 5.299 1 0 JKAFRM CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\CCCCCCCCCCCCCCC(=O)[O-])C(=O)O1 ZINC000045364937 563192924 /nfs/dbraw/zinc/19/29/24/563192924.db2.gz TZEOOHWDASEHEY-DHCKTRPCSA-N -1 0 482.658 5.726 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000045367775 563193299 /nfs/dbraw/zinc/19/32/99/563193299.db2.gz KHHCAIWHDUGXHC-UXHICEINSA-N -1 0 465.571 5.963 1 0 JKAFRM CCOC(=O)c1c(-c2ccccc2-c2ccccc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000045386161 563194504 /nfs/dbraw/zinc/19/45/04/563194504.db2.gz HEMRNFFAAWVITN-UHFFFAOYSA-N -1 0 471.534 6.209 1 0 JKAFRM Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)[O-])cc2)c1Cc1ccc(C(F)(F)F)cc1 ZINC000045390328 563195008 /nfs/dbraw/zinc/19/50/08/563195008.db2.gz DOTIWNYTQPDMBR-ZDUSSCGKSA-N -1 0 461.505 6.164 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc(Cl)c1 ZINC000045391190 563195116 /nfs/dbraw/zinc/19/51/16/563195116.db2.gz VPTKQCSHGRXJBG-AREMUKBSSA-N -1 0 480.004 6.453 1 0 JKAFRM C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@@H](O)C4(C)C)[C@]3(C)CC[C@]12C)C(=O)[O-] ZINC000045496405 563195670 /nfs/dbraw/zinc/19/56/70/563195670.db2.gz JMOPTHLWCJXLBX-IJAJUTMCSA-N -1 0 456.711 7.400 1 0 JKAFRM O=C([O-])CC[C@@]1(c2cccc(C(F)(F)F)c2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000049015342 563197242 /nfs/dbraw/zinc/19/72/42/563197242.db2.gz BGFWYEFBAHLCNL-NRFANRHFSA-N -1 0 454.876 5.789 1 0 JKAFRM O=C([O-])CC[C@]1(c2ccccc2C(F)(F)F)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000049014848 563197243 /nfs/dbraw/zinc/19/72/43/563197243.db2.gz WAFKWVRPHCVAGK-OAQYLSRUSA-N -1 0 454.876 5.789 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C[C@H](O)C[C@]43C)[C@@H]2[C@H]1C ZINC000049019013 563197550 /nfs/dbraw/zinc/19/75/50/563197550.db2.gz DDHYEJNMSYDDTH-ZWHPGZRZSA-N -1 0 456.711 7.090 1 0 in-vivo JKAFRM COc1ccc(N(c2ccc(OC)cc2)c2ncc(CC(=O)[O-])c(-c3cccc(F)c3)n2)cc1 ZINC000049033099 563198109 /nfs/dbraw/zinc/19/81/09/563198109.db2.gz JKARWJQJJIBBHE-UHFFFAOYSA-N -1 0 459.477 5.397 1 0 JKAFRM Cc1cc(OCc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)[O-] ZINC000049034095 563198405 /nfs/dbraw/zinc/19/84/05/563198405.db2.gz VFGQSLLSHJIIRS-UHFFFAOYSA-N -1 0 465.958 6.481 1 0 JKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000049036319 563198937 /nfs/dbraw/zinc/19/89/37/563198937.db2.gz PMBPROKPTKOWSA-UHFFFAOYSA-N -1 0 491.565 5.845 1 0 JKAFRM O=C([O-])C1=C(NC(=O)CCc2ccc3cc(O)ccc3c2)CC[C@@H](c2ccc(C(F)(F)F)nc2)C1 ZINC000049047311 563199541 /nfs/dbraw/zinc/19/95/41/563199541.db2.gz RRXLYHOECPJXGO-GOSISDBHSA-N -1 0 484.474 5.314 1 0 JKAFRM CC(C)(C)c1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(Cl)ccc4C(=O)[O-])cc3C2=O)cc1 ZINC000049053177 563200175 /nfs/dbraw/zinc/20/01/75/563200175.db2.gz MTJYLRNZDSMVFM-UHFFFAOYSA-N -1 0 476.916 5.389 1 0 JKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1)c1cccc2ccccc21 ZINC000049066504 563200558 /nfs/dbraw/zinc/20/05/58/563200558.db2.gz VNPBXBNWSYMQTB-QHCPKHFHSA-N -1 0 461.974 6.434 1 0 JKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(NCCCc2ccccc2)n1)c1cccc2ccccc21 ZINC000049068557 563200981 /nfs/dbraw/zinc/20/09/81/563200981.db2.gz MTEBXMPXGZSGGW-HSZRJFAPSA-N -1 0 463.990 6.246 1 0 JKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(NCCCc2ccccc2)n1)c1cccc2ccccc21 ZINC000049068555 563200995 /nfs/dbraw/zinc/20/09/95/563200995.db2.gz MTEBXMPXGZSGGW-QHCPKHFHSA-N -1 0 463.990 6.246 1 0 JKAFRM Cc1cc(C)cc(Oc2ccc(CCC(=O)[O-])c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 ZINC000049069436 563201093 /nfs/dbraw/zinc/20/10/93/563201093.db2.gz NEWJJWLCFFPYAA-GDLZYMKVSA-N -1 0 487.640 7.247 1 0 JKAFRM CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CC(=O)[O-])c4c3)cc21 ZINC000049069808 563201124 /nfs/dbraw/zinc/20/11/24/563201124.db2.gz OOVFIDWYBPNEFX-UHFFFAOYSA-N -1 0 485.580 5.537 1 0 JKAFRM CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cc([C@@H](C)C(=O)[O-])ccc4c3)cc21 ZINC000049087525 563201542 /nfs/dbraw/zinc/20/15/42/563201542.db2.gz YHLGAKNTVRCWMS-OAQYLSRUSA-N -1 0 499.607 6.098 1 0 JKAFRM C/C(=C/[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000049088170 563201674 /nfs/dbraw/zinc/20/16/74/563201674.db2.gz BHPUPTSWPKUFML-PILUHMKMSA-N -1 0 470.694 6.291 1 0 JKAFRM COc1ccc([C@@H]2CC(c3c([O-])c4ccccc4oc3=O)=NN2C(=S)Nc2ccccc2)cc1 ZINC000049090076 563202097 /nfs/dbraw/zinc/20/20/97/563202097.db2.gz SQNDSODTMYXLAF-NRFANRHFSA-N -1 0 471.538 5.055 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C[C@H](O)C[C@]43C)[C@@H]2C1 ZINC000049112538 563202490 /nfs/dbraw/zinc/20/24/90/563202490.db2.gz UODITNOILLXLOO-DBWGAYEVSA-N -1 0 456.711 7.234 1 0 in-vivo JKAFRM O=C([O-])CC[C@]1(c2ccc(C(F)(F)F)cc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000049115212 563202814 /nfs/dbraw/zinc/20/28/14/563202814.db2.gz TVNCLEMLTQVHDY-OAQYLSRUSA-N -1 0 454.876 5.789 1 0 JKAFRM C[C@H](C=O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049785248 563203786 /nfs/dbraw/zinc/20/37/86/563203786.db2.gz YYWGLIWZIFEQRK-HROPLQTDSA-N -1 0 472.710 6.348 1 0 JKAFRM C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CC[C@](C)(C(=O)[O-])C[C@@H]4[C@]3(C)CC[C@]12C ZINC000049918282 563204723 /nfs/dbraw/zinc/20/47/23/563204723.db2.gz WHWHDGKOSUKYOV-QULMFMNMSA-N -1 0 456.711 7.522 1 0 JKAFRM CCn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000053014157 563204922 /nfs/dbraw/zinc/20/49/22/563204922.db2.gz CPFISVQCSDMJIK-UHFFFAOYSA-N -1 0 473.576 7.068 1 0 JKAFRM CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000053229734 563205295 /nfs/dbraw/zinc/20/52/95/563205295.db2.gz OHILWRWIEADASX-STZFKDTASA-N -1 0 455.532 5.199 1 0 JKAFRM O=C([O-])CCCNC(=O)/C=C/CCCCCCCCCC=C(Br)Br ZINC000053244120 563205434 /nfs/dbraw/zinc/20/54/34/563205434.db2.gz KYVRLHOBICGUEZ-JLHYYAGUSA-N -1 0 467.242 5.666 1 0 JKAFRM Cc1[nH]c(/C=C2\C(=O)Nc3cc(NC(=O)Nc4ccc(Cl)cc4)ccc32)c(C)c1C(=O)[O-] ZINC000053296418 563205673 /nfs/dbraw/zinc/20/56/73/563205673.db2.gz RWCSLXSUPQHKBX-YVLHZVERSA-N -1 0 450.882 5.120 1 0 JKAFRM COc1cc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053298259 563205732 /nfs/dbraw/zinc/20/57/32/563205732.db2.gz HJBBSMUYIUZCCL-QRVIBDJDSA-N -1 0 493.512 5.348 1 0 JKAFRM O=C([O-])CCNC(=O)/C=C/CCCCCCCCCC=C(Br)Br ZINC000053312354 563205764 /nfs/dbraw/zinc/20/57/64/563205764.db2.gz CHBLZQUBPPJXIU-ZRDIBKRKSA-N -1 0 453.215 5.276 1 0 JKAFRM O=c1cc(CCc2ccc3c(c2)OCO3)[n-]n1[C@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000058506739 563206791 /nfs/dbraw/zinc/20/67/91/563206791.db2.gz XUZLGRCIUWTPPH-QFBILLFUSA-N -1 0 499.411 5.443 1 0 JKAFRM COc1ccc(-c2sc3c(C4CC4)c(Cc4cccc5ccccc54)cc(=O)n3c2C(=O)[O-])cc1 ZINC000058541335 563207141 /nfs/dbraw/zinc/20/71/41/563207141.db2.gz SJUBIYMINBQSFS-UHFFFAOYSA-N -1 0 481.573 6.356 1 0 JKAFRM O=C([O-])c1c(-c2ccsc2)sc2c(C3CC3)c(Cc3cccc4ccccc43)cc(=O)n12 ZINC000058575787 563207662 /nfs/dbraw/zinc/20/76/62/563207662.db2.gz XOOAFHPHYHADMR-UHFFFAOYSA-N -1 0 457.576 6.409 1 0 JKAFRM Cc1ccc(-c2sc3c(C4CC4)c(Cc4cccc5ccccc54)cc(=O)n3c2C(=O)[O-])cc1 ZINC000058581587 563207743 /nfs/dbraw/zinc/20/77/43/563207743.db2.gz DVOOMNUPZAOWQK-UHFFFAOYSA-N -1 0 465.574 6.656 1 0 JKAFRM Cc1cc2c(cc1F)n(Cc1cc3cc(F)c(F)cc3nc1Cl)c(C(=O)[O-])c2-c1ccc[nH]c1=O ZINC000059151054 563208885 /nfs/dbraw/zinc/20/88/85/563208885.db2.gz JCYSWDTVMCSYIG-UHFFFAOYSA-N -1 0 497.860 5.670 1 0 JKAFRM CCC[C@H]1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)[O-])c1 ZINC000059278739 563209021 /nfs/dbraw/zinc/20/90/21/563209021.db2.gz CVWIBBMWXKNGBL-UKILVPOCSA-N -1 0 461.568 7.746 1 0 JKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(C(=O)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059286813 563209045 /nfs/dbraw/zinc/20/90/45/563209045.db2.gz DGFPMIWBNSXYHA-QHCPKHFHSA-N -1 0 476.441 7.096 1 0 JKAFRM Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])ccc1OCc1ccccc1 ZINC000059570145 563209094 /nfs/dbraw/zinc/20/90/94/563209094.db2.gz AVQXKVZGOLJRIA-RUZDIDTESA-N -1 0 494.587 7.079 1 0 JKAFRM Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)[O-])c1 ZINC000059570130 563209104 /nfs/dbraw/zinc/20/91/04/563209104.db2.gz FXGGUASZKJPIEA-SANMLTNESA-N -1 0 494.587 7.079 1 0 JKAFRM Cc1cc(OC[C@@H]2COc3ccccc32)cc(C)c1C(=O)Nc1cc(CC(=O)[O-])ccc1Cl ZINC000059648476 563209124 /nfs/dbraw/zinc/20/91/24/563209124.db2.gz NBBSWWMRIVXHLD-GOSISDBHSA-N -1 0 465.933 5.391 1 0 JKAFRM Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(=O)[O-])ccc1Cl ZINC000059648658 563209137 /nfs/dbraw/zinc/20/91/37/563209137.db2.gz PHKSNMJTGYQRRJ-FQEVSTJZSA-N -1 0 494.975 5.112 1 0 JKAFRM Cc1ccc2c(c1)[C@H](COc1cc(C)c(C(=O)Nc3cc(CC(=O)[O-])ccc3Cl)c(C)c1)CO2 ZINC000059649069 563209161 /nfs/dbraw/zinc/20/91/61/563209161.db2.gz NXTVJLPVVYHNJC-LJQANCHMSA-N -1 0 479.960 5.700 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@@H]5C(C)(C)[C@@H](O)[C@@H](O)C[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000015117349 571731265 /nfs/dbraw/zinc/73/12/65/571731265.db2.gz JMJVYEINATYJHM-LSNQGQLLSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM C/C1=C/[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c([O-])c4[C@H](CC(C)C)[C@@H]3CC1)C2(C)C ZINC000100772891 571817115 /nfs/dbraw/zinc/81/71/15/571817115.db2.gz AGTXIGWLMDUUMQ-IALNQKPQSA-N -1 0 454.607 6.412 1 0 endogenous,in-man JKAFRM CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@@]3(C)CC[C@H]12 ZINC000100777714 571825129 /nfs/dbraw/zinc/82/51/29/571825129.db2.gz CZWBKSDPBWNHGO-DWRULCICSA-N -1 0 472.710 6.206 1 0 endogenous,in-man JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@@]3(C)CC[C@H]12 ZINC000100777710 571825152 /nfs/dbraw/zinc/82/51/52/571825152.db2.gz CZWBKSDPBWNHGO-QDIAHSTCSA-N -1 0 472.710 6.206 1 0 endogenous,in-man JKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100778523 571827963 /nfs/dbraw/zinc/82/79/63/571827963.db2.gz ZZTYPLSBNNGEIS-JOUKPZJASA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000100778886 571829310 /nfs/dbraw/zinc/82/93/10/571829310.db2.gz XKLPFWHBIRYSNP-NLWQAOLQSA-N -1 0 454.695 7.586 1 0 endogenous,in-man JKAFRM CC1=C(C)[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC1 ZINC000100779211 571829963 /nfs/dbraw/zinc/82/99/63/571829963.db2.gz HKJOHXSLBNLQHF-YOGFRIKOSA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC1 ZINC000100779212 571830494 /nfs/dbraw/zinc/83/04/94/571830494.db2.gz HKJOHXSLBNLQHF-VTYFQIIBSA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100779512 571831345 /nfs/dbraw/zinc/83/13/45/571831345.db2.gz MUCRYNWJQNHDJH-HWKOKSPWSA-N -1 0 454.695 7.298 1 0 endogenous,in-man JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@H](C)[C@@H](C)CC[C@@]4(C(=O)[O-])CC[C@@]23C)C1(C)C ZINC000100779524 571831373 /nfs/dbraw/zinc/83/13/73/571831373.db2.gz PHFUCJXOLZAQNH-MXNXUPPPSA-N -1 0 498.748 7.660 1 0 endogenous,in-man JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000100780840 571834276 /nfs/dbraw/zinc/83/42/76/571834276.db2.gz BHVJSLPLFOAMEV-FTQRXXJOSA-N -1 0 456.711 7.378 1 0 endogenous,in-man JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])CC[C@@]3(C)CC[C@]21C ZINC000100781815 571836519 /nfs/dbraw/zinc/83/65/19/571836519.db2.gz CGZZFWMLSVHLFZ-ZTMWTZBHSA-N -1 0 454.695 7.442 1 0 endogenous,in-man JKAFRM C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(C(=O)[O-])CC(=O)[C@@]5(C)CC[C@@]4(C)[C@@]3(C)CC[C@H]12 ZINC000100782681 571838118 /nfs/dbraw/zinc/83/81/18/571838118.db2.gz MVTZJCYINFKILV-OEKASGBZSA-N -1 0 486.693 5.385 1 0 endogenous,in-man JKAFRM CC(C)C[C@@H](c1c([O-])c(C=O)c(O)c(C=O)c1O)[C@@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@]21C ZINC000100782667 571838122 /nfs/dbraw/zinc/83/81/22/571838122.db2.gz XJNGQIYBMXBCRU-PTRTWIMFSA-N -1 0 472.622 5.718 1 0 endogenous,in-man JKAFRM CC(C)C[C@H](c1c([O-])c(C=O)c(O)c(C=O)c1O)[C@H]1CC[C@@H](C)C2=C[C@H](C(C)(C)O)CC[C@]21C ZINC000100782669 571838141 /nfs/dbraw/zinc/83/81/41/571838141.db2.gz XJNGQIYBMXBCRU-CNBKSGHKSA-N -1 0 472.622 5.718 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100783636 571840305 /nfs/dbraw/zinc/84/03/05/571840305.db2.gz LLLYZDPEYDHSHM-YMLMDHBZSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@](C)(CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]34C)[C@@H]2C1 ZINC000085637986 574416741 /nfs/dbraw/zinc/41/67/41/574416741.db2.gz JMJVYEINATYJHM-GWDPOGRCSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]3(C)[C@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2[C@H]1C ZINC000095619511 574417089 /nfs/dbraw/zinc/41/70/89/574417089.db2.gz DZLAZTJTKXGAGR-KQFOHDOJSA-N -1 0 472.710 6.060 1 0 endogenous,in-man JKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)C3CCCCC3)c1)C1CC1)CCCCCC2 ZINC000100764256 581101520 /nfs/dbraw/zinc/10/15/20/581101520.db2.gz PZBIYZSZFJEYLQ-XMMPIXPASA-N -1 0 485.646 5.621 1 0 JKAFRM CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4[C@@H](CC[C@H](O)C4(C)C)C3=CC[C@]12C ZINC000095098952 290690870 /nfs/dbraw/zinc/69/08/70/290690870.db2.gz VCAXFBASTZXBIB-WXLTURBGSA-N -1 0 456.667 5.901 1 0 biogenic,in-vitro JKAFRM C[C@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)[O-])cc1)C1=C(Cl)CCC1 ZINC000013979339 541107722 /nfs/dbraw/zinc/10/77/22/541107722.db2.gz RXTLJHATTIUSHW-ZDUSSCGKSA-N -1 0 450.944 5.663 1 0 JKAFRM C[C@@H](OC(=O)Nc1cnoc1-c1ccc(CSCCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903510 541108207 /nfs/dbraw/zinc/10/82/07/541108207.db2.gz BZXVIJFDXYBSIG-CQSZACIVSA-N -1 0 460.939 6.013 1 0 JKAFRM C[C@@H](OC(=O)Nc1conc1-c1ccc(CCSCC(=O)[O-])cc1)c1ccccc1Cl ZINC000006745729 541108236 /nfs/dbraw/zinc/10/82/36/541108236.db2.gz CPRHYQZJJSPUOG-CQSZACIVSA-N -1 0 460.939 5.665 1 0 JKAFRM Cc1nnn(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)c1NC(=O)O[C@@H](C)C1CCC1 ZINC000095579897 541108485 /nfs/dbraw/zinc/10/84/85/541108485.db2.gz SBJZFGASZPMUOO-KRWDZBQOSA-N -1 0 460.534 5.096 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@@H](C=C[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](O)[C@H](O)C[C@]43C)[C@@H]2[C@@H]1O ZINC000095919194 291568522 /nfs/dbraw/zinc/56/85/22/291568522.db2.gz SCPREOYLSXMNTR-GXVRSKBMSA-N -1 0 488.709 5.031 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5C[C@](C)(C(=O)[O-])[C@@H](O)C[C@]5(C)CC[C@]43C)[C@@]2(C)[C@@H](O)C[C@@H]1O ZINC000095486278 291571638 /nfs/dbraw/zinc/57/16/38/291571638.db2.gz KNWFYQFYBDPZSM-ICUQHYLRSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000070454530 291593694 /nfs/dbraw/zinc/59/36/94/291593694.db2.gz DICFMPCEXYENLE-UTQHKCLKSA-N -1 0 486.693 5.385 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000070451198 291594105 /nfs/dbraw/zinc/59/41/05/291594105.db2.gz YLHQFGOOMKJFLP-OSKYZHSLSA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM O=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc([O-])cc(OCc3cccc(O)c3)c12 ZINC000085569481 291603839 /nfs/dbraw/zinc/60/38/39/291603839.db2.gz UEPVPPKXOATTOZ-UHFFFAOYSA-N -1 0 482.488 5.452 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000036088471 520414521 /nfs/dbraw/zinc/41/45/21/520414521.db2.gz QGOSJBZFTWGWDU-GSXZFILMSA-N -1 0 456.711 7.234 1 0 in-vivo JKAFRM C[C@@]12CC[C@H](O)[C@](C)(CO)[C@@H]1CC[C@]1(C)[C@@H]2C=CC2=C3C[C@@](C)(C(=O)[O-])CC[C@]3(C)C(=O)C[C@]21C ZINC000070454394 560048470 /nfs/dbraw/zinc/04/84/70/560048470.db2.gz KYOWPDRQMXVMGQ-GTQRDPIBSA-N -1 0 484.677 5.305 1 0 biogenic,in-vitro JKAFRM C[C@@]12CC[C@@H]3[C@@](C)(CO)[C@H](O)CC[C@@]3(C)[C@H]1CC=C1[C@H]3C[C@](C)(C(=O)[O-])[C@H](O)C[C@]3(C)CC[C@]12C ZINC000070454396 560048490 /nfs/dbraw/zinc/04/84/90/560048490.db2.gz ZXWLSOQCDSAYHO-BKMAASGUSA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC=C1C[C@]3(C)CC[C@H]4[C@](C)(CC[C@H](O)[C@]4(C)C(=O)[O-])[C@@H]3CC[C@@H]12 ZINC000095913379 560056747 /nfs/dbraw/zinc/05/67/47/560056747.db2.gz ISFIVPSZFJMIOJ-GXQIXURSSA-N -1 0 488.709 5.177 1 0 biogenic,in-vitro JKAFRM CC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@]5(C(=O)[O-])CCC(C)(C)C[C@@H]45)[C@]3(C)CC[C@H]21 ZINC000095486110 560061682 /nfs/dbraw/zinc/06/16/82/560061682.db2.gz CADAXKVLCHNSLH-GTQXNDEASA-N -1 0 468.722 7.832 1 0 biogenic,in-vitro JKAFRM C[C@@H]1[C@]23CO[C@@]1(O)C[C@H](O)[C@H]2[C@]1(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]2(C)[C@H]1CC3 ZINC000085530781 560073390 /nfs/dbraw/zinc/07/33/90/560073390.db2.gz OFOVIGFURDTRHW-GCTVLMOSSA-N -1 0 488.709 5.622 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000085508855 560074157 /nfs/dbraw/zinc/07/41/57/560074157.db2.gz HFGSQOYIOKBQOW-XGVRXJSRSA-N -1 0 472.710 6.060 1 0 biogenic,in-vitro JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003983868 560193077 /nfs/dbraw/zinc/19/30/77/560193077.db2.gz PHFUCJXOLZAQNH-VXUUGUJASA-N -1 0 498.748 7.660 1 0 in-vitro JKAFRM O=C([O-])CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014511053 560222229 /nfs/dbraw/zinc/22/22/29/560222229.db2.gz IRPZBVZGZKVXHG-UHFFFAOYSA-N -1 0 468.807 9.986 1 0 in-vitro JKAFRM CC[C@@H](C)C(=O)c1c([O-])c(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)c(O)c2c1OC(C)(C)C=C2 ZINC000014585780 560222545 /nfs/dbraw/zinc/22/25/45/560222545.db2.gz CKDCFMPRWZIMFC-CYBMUJFWSA-N -1 0 498.572 5.366 1 0 in-vitro JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC=C3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)[C@@H](O)C[C@]34C)[C@@H]2C1 ZINC000015117343 571731453 /nfs/dbraw/zinc/73/14/53/571731453.db2.gz JMJVYEINATYJHM-FFHFRTNTSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM CCCc1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)[O-])ccc12 ZINC000000603089 562918625 /nfs/dbraw/zinc/91/86/25/562918625.db2.gz RLCKIAGBRRECJJ-UHFFFAOYSA-N -1 0 468.937 6.116 1 0 JKAFRM CCCN1c2ccccc2C(=O)N(CC(=O)[O-])c2cc(NC(=O)c3c[nH]c4ccccc34)ccc21 ZINC000001484703 562920207 /nfs/dbraw/zinc/92/02/07/562920207.db2.gz YASYIXCWWXAKAQ-UHFFFAOYSA-N -1 0 468.513 5.013 1 0 JKAFRM CC(C)c1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000001537519 562920663 /nfs/dbraw/zinc/92/06/63/562920663.db2.gz FMCKOMPEFSASBD-TYFAACHXSA-N -1 0 457.929 5.418 1 0 in-vitro JKAFRM COc1ccc(Cc2cccc3c2C[C@@H](C(=O)[O-])N(C(=O)N(c2ccccc2)c2ccccc2)C3)cc1 ZINC000001537612 562920710 /nfs/dbraw/zinc/92/07/10/562920710.db2.gz GMIRUEZGTURLHL-LJAQVGFWSA-N -1 0 492.575 6.056 1 0 JKAFRM CCCCc1nc2cccc(C(=O)[O-])c2nc1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001540853 562920878 /nfs/dbraw/zinc/92/08/78/562920878.db2.gz MVEVPCZFYOMXJQ-UHFFFAOYSA-N -1 0 466.501 5.310 1 0 JKAFRM CCCN1c2ccccc2C(=O)N(CC(=O)[O-])c2cc(OCc3cccc4ccccc43)ccc21 ZINC000001542051 562920887 /nfs/dbraw/zinc/92/08/87/562920887.db2.gz UOTQQUOXKAFPCO-UHFFFAOYSA-N -1 0 466.537 6.012 1 0 JKAFRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)[C@H](/C=C/c1ccc2ccccc2c1)Cc1ccc(Cl)c(Cl)c1 ZINC000001544485 562920930 /nfs/dbraw/zinc/92/09/30/562920930.db2.gz LVRZMZFXRFKCCY-KSYFVSBMSA-N -1 0 498.450 7.024 1 0 in-vitro JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2C)c(Cl)c1 ZINC000001545010 562920938 /nfs/dbraw/zinc/92/09/38/562920938.db2.gz APSWMQVSEDQAFN-DEOSSOPVSA-N -1 0 463.965 5.825 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@H](C(=O)[O-])c1ccccc1 ZINC000001545011 562920982 /nfs/dbraw/zinc/92/09/82/562920982.db2.gz IFUYEJOQMQZCAE-SANMLTNESA-N -1 0 457.574 5.816 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(CC(=O)[O-])cc1 ZINC000001554220 562921358 /nfs/dbraw/zinc/92/13/58/562921358.db2.gz YBCRBLDQMPYCRV-UHFFFAOYSA-N -1 0 459.542 6.312 1 0 JKAFRM O=C([N-][C@H]1CC(=O)c2c(N3CCC(c4ccccc4)CC3)sc(Br)c21)C(F)(F)F ZINC000001638253 562922069 /nfs/dbraw/zinc/92/20/69/562922069.db2.gz DCKMBKBWOHERDL-ZDUSSCGKSA-N -1 0 487.341 5.201 1 0 JKAFRM C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2C(=O)[O-])n1)c1ccccc1 ZINC000001654343 562922619 /nfs/dbraw/zinc/92/26/19/562922619.db2.gz OGNMPKCAKAXDMS-MRXNPFEDSA-N -1 0 460.534 5.212 1 0 JKAFRM CC(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000002022692 562924628 /nfs/dbraw/zinc/92/46/28/562924628.db2.gz YCVXSUKICGGQBP-PKTZIBPZSA-N -1 0 470.512 5.388 1 0 JKAFRM CCCCCCN(CCCCCC)S(=O)(=O)N=C([O-])Nc1c(C(C)C)cccc1C(C)C ZINC000003777767 562927741 /nfs/dbraw/zinc/92/77/41/562927741.db2.gz TXSFBRUOSHPHAJ-UHFFFAOYSA-N -1 0 467.720 6.762 1 0 JKAFRM COc1ccc(Cc2cccc3c2C[C@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1 ZINC000003796584 562928296 /nfs/dbraw/zinc/92/82/96/562928296.db2.gz WQXLMVOGAAPBID-GDLZYMKVSA-N -1 0 491.587 5.456 1 0 JKAFRM CCCc1nn(Cc2ccccc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003798290 562928403 /nfs/dbraw/zinc/92/84/03/562928403.db2.gz QDIMWMVMRQIJQN-UHFFFAOYSA-N -1 0 478.556 5.020 1 0 JKAFRM Clc1ccc2ccc(C=Cc3cccc(CN4CCc5cccc(OCc6nnn[n-]6)c54)c3)nc2c1 ZINC000003812014 562928780 /nfs/dbraw/zinc/92/87/80/562928780.db2.gz HRXMIPYORYDWBM-YRNVUSSQSA-N -1 0 494.986 5.713 1 0 JKAFRM CC[C@@H](c1cccc(NC(=O)CCn2ccc3ccccc32)c1)c1c([O-])c2ccccc2oc1=O ZINC000003832000 562929568 /nfs/dbraw/zinc/92/95/68/562929568.db2.gz WWWFEHZEGONSME-QFIPXVFZSA-N -1 0 466.537 6.024 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@@H](C)CC(=O)[O-])cc3)c2=O)cc1 ZINC000003939507 562930224 /nfs/dbraw/zinc/93/02/24/562930224.db2.gz BQGQVBGSESRXLR-NRFANRHFSA-N -1 0 495.579 6.094 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000003940955 562930292 /nfs/dbraw/zinc/93/02/92/562930292.db2.gz LOLZZGVVIXBCSY-VWLOTQADSA-N -1 0 477.582 6.303 1 0 JKAFRM CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCC[C@H]1CC(=O)[O-] ZINC000003949536 562930659 /nfs/dbraw/zinc/93/06/59/562930659.db2.gz LIYMSLCFOJXHRD-NSHDSACASA-N -1 0 485.414 5.250 1 0 JKAFRM COc1ccc(-c2ccc(OCc3cc(C(=O)[N-]S(=O)(=O)c4cccs4)oc3C)cc2)cc1 ZINC000003962735 562931066 /nfs/dbraw/zinc/93/10/66/562931066.db2.gz SNUFUHKOPCYEHX-UHFFFAOYSA-N -1 0 483.567 5.023 1 0 JKAFRM COc1cc(-c2nc3ccccc3s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000003961827 562931081 /nfs/dbraw/zinc/93/10/81/562931081.db2.gz UBZORZBZKNRJFC-IBGZPJMESA-N -1 0 489.593 6.324 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC000003965936 562931234 /nfs/dbraw/zinc/93/12/34/562931234.db2.gz GKORLDUEXWMZDW-AYOQOUSVSA-N -1 0 492.468 6.695 1 0 JKAFRM CCCc1cc(C2CCC(F)(F)CC2)ccc1OCCCOc1cccc([C@@H]2OC(=O)[N-]C2=O)c1 ZINC000003971996 562931250 /nfs/dbraw/zinc/93/12/50/562931250.db2.gz NSYZQVZYLLYVJH-DEOSSOPVSA-N -1 0 487.543 6.087 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)CC[C@@H](C(=O)[O-])O2 ZINC000003992537 562931749 /nfs/dbraw/zinc/93/17/49/562931749.db2.gz GUMUZBIUUNEBAM-NDEPHWFRSA-N -1 0 476.569 6.448 1 0 JKAFRM COc1ccc(C2=C(C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)cc1 ZINC000004391811 562933183 /nfs/dbraw/zinc/93/31/83/562933183.db2.gz BATSJXIVNKJCKQ-SANMLTNESA-N -1 0 460.482 5.231 1 0 JKAFRM CC[C@H](C)c1ccc(NC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Br)cc1 ZINC000004642479 562933582 /nfs/dbraw/zinc/93/35/82/562933582.db2.gz VMSGLMJNCOIKRS-NSHDSACASA-N -1 0 498.424 5.374 1 0 JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000005813016 562935031 /nfs/dbraw/zinc/93/50/31/562935031.db2.gz IAWGZKRQDHPFCZ-MGXFSZPESA-N -1 0 498.748 7.804 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CCC4=C5C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@]5(C)CC[C@]43C)[C@@H]2C1 ZINC000005923012 562935758 /nfs/dbraw/zinc/93/57/58/562935758.db2.gz LCZNLGJYHVTTAT-RALSZBTISA-N -1 0 486.693 5.241 1 0 JKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=C2[C@H]1C)C=C[C@@H]1[C@@]3(C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000005940189 562935902 /nfs/dbraw/zinc/93/59/02/562935902.db2.gz PXDYNDUVPVYMRV-CRTLDUSJSA-N -1 0 454.695 7.010 1 0 JKAFRM Cc1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2)c([S-])cc1Cl ZINC000006013603 562936373 /nfs/dbraw/zinc/93/63/73/562936373.db2.gz UWGCENJWPDTUFD-FQEVSTJZSA-N -1 0 478.426 5.249 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000008681311 562951217 /nfs/dbraw/zinc/95/12/17/562951217.db2.gz MIJYXULNPSFWEK-WQESDMGSSA-N -1 0 456.711 7.234 1 0 JKAFRM O=C([O-])Cn1cc(Cc2nc3c(s2)c(F)cc(F)c3F)c2cc(Br)ccc21 ZINC000011536158 562957364 /nfs/dbraw/zinc/95/73/64/562957364.db2.gz NHJYISUWMXIZTK-UHFFFAOYSA-N -1 0 455.255 5.106 1 0 JKAFRM CC(C)c1nc2sc3c(c2c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])CCCC3 ZINC000011689459 562957541 /nfs/dbraw/zinc/95/75/41/562957541.db2.gz IBCCQWFVZVTEDO-MCBHFWOFSA-N -1 0 483.605 5.704 1 0 JKAFRM CS(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2Oc2ccccc2)cc1 ZINC000012341152 562959426 /nfs/dbraw/zinc/95/94/26/562959426.db2.gz JXJPKHLRUJGAMY-UHFFFAOYSA-N -1 0 487.533 5.500 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1cccc(OCC(=O)[O-])c1 ZINC000012358253 562959574 /nfs/dbraw/zinc/95/95/74/562959574.db2.gz AMWQWEAPDPIRRQ-UHFFFAOYSA-N -1 0 475.541 6.149 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012358246 562959614 /nfs/dbraw/zinc/95/96/14/562959614.db2.gz XGUIGUUQJRJNFL-QGOAFFKASA-N -1 0 471.553 6.783 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccc(OCC(=O)[O-])cc1 ZINC000012358247 562959627 /nfs/dbraw/zinc/95/96/27/562959627.db2.gz RAQQNCJUGFKYOL-UHFFFAOYSA-N -1 0 461.514 5.759 1 0 JKAFRM COc1ccc(C[C@@H](Sc2ccccc2)C(=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012358301 562959651 /nfs/dbraw/zinc/95/96/51/562959651.db2.gz WZPUFTXNVSHNAQ-JOCHJYFZSA-N -1 0 489.515 5.432 1 0 JKAFRM O=C([O-])Cc1ccccc1OCC[C@H]1Oc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000012358456 562959706 /nfs/dbraw/zinc/95/97/06/562959706.db2.gz ZDGALJOFDDGUFT-JOCHJYFZSA-N -1 0 472.324 5.515 1 0 JKAFRM O=C([O-])Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000012358451 562959721 /nfs/dbraw/zinc/95/97/21/562959721.db2.gz VLVHERCAJYOIPF-QHCPKHFHSA-N -1 0 486.351 5.384 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358483 562959750 /nfs/dbraw/zinc/95/97/50/562959750.db2.gz ZNLPWBJCSSSCCR-VWLOTQADSA-N -1 0 477.582 6.303 1 0 in-vitro JKAFRM Cc1oc(-c2cccs2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358526 562959770 /nfs/dbraw/zinc/95/97/70/562959770.db2.gz KWSPYUOBNIMILB-AREMUKBSSA-N -1 0 463.555 5.798 1 0 JKAFRM CCCc1cc(C2CCCCCC2)ccc1OCCCOc1cccc([C@@H]2OC(=O)[N-]C2=O)c1 ZINC000012358517 562959789 /nfs/dbraw/zinc/95/97/89/562959789.db2.gz PXPRUWKPZYWZRO-SANMLTNESA-N -1 0 465.590 6.232 1 0 JKAFRM CC[C@](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000012358536 562959793 /nfs/dbraw/zinc/95/97/93/562959793.db2.gz PWZALNZYZAMBJL-GDLZYMKVSA-N -1 0 471.553 6.126 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358524 562959795 /nfs/dbraw/zinc/95/97/95/562959795.db2.gz JSTSZHVRXHMZQK-MUUNZHRXSA-N -1 0 457.526 5.736 1 0 JKAFRM CC[C@@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1 ZINC000012358563 562959874 /nfs/dbraw/zinc/95/98/74/562959874.db2.gz XRGYPAWUPAPTQZ-MHZLTWQESA-N -1 0 482.960 6.539 1 0 JKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000013125874 562961468 /nfs/dbraw/zinc/96/14/68/562961468.db2.gz LNDCWNDLTGXNLM-HSZRJFAPSA-N -1 0 470.953 5.069 3 0 JKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1 ZINC000013445237 562964030 /nfs/dbraw/zinc/96/40/30/562964030.db2.gz AMNIGRYRKSYWGR-MHZLTWQESA-N -1 0 465.549 5.384 1 0 JKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(c3cnc4ccccc4c3)CCCC2)C(=O)[O-])cc1 ZINC000013445326 562964077 /nfs/dbraw/zinc/96/40/77/562964077.db2.gz BAILAXPMJUUBCX-MHZLTWQESA-N -1 0 494.591 5.534 1 0 JKAFRM O=C([O-])c1cc(F)ccc1Cn1nnc(-c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n1 ZINC000013452851 562964895 /nfs/dbraw/zinc/96/48/95/562964895.db2.gz RBBCRDPMWCMNPU-ONNFQVAWSA-N -1 0 485.906 5.598 1 0 JKAFRM CCCOc1cccc2c1C(c1ccc(OC)cc1)=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2 ZINC000013473373 562966202 /nfs/dbraw/zinc/96/62/02/562966202.db2.gz ZDHMBKZMQKNKQL-SANMLTNESA-N -1 0 460.482 5.233 1 0 JKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1ccccc1OC)O2 ZINC000013473419 562966208 /nfs/dbraw/zinc/96/62/08/562966208.db2.gz XETRVUQLKYUODP-MHZLTWQESA-N -1 0 474.509 5.623 1 0 JKAFRM COc1ccc(C2=C(C(=O)[O-])[C@@H](c3ccc(OC)cc3OC)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473399 562966214 /nfs/dbraw/zinc/96/62/14/562966214.db2.gz RFIGFHXMRGNFHU-HHHXNRCGSA-N -1 0 476.525 5.520 1 0 JKAFRM CC(C)Oc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1ccc(C(C)C)cc1)O2 ZINC000013473407 562966219 /nfs/dbraw/zinc/96/62/19/562966219.db2.gz YJJDTZWFCKLRED-NDEPHWFRSA-N -1 0 472.537 6.346 1 0 JKAFRM CCCOc1ccc2c(c1)C(c1ccc(OC)cc1)=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2 ZINC000013473379 562966240 /nfs/dbraw/zinc/96/62/40/562966240.db2.gz GMWGPFSQYORQOK-SANMLTNESA-N -1 0 460.482 5.233 1 0 JKAFRM CC(C)Oc1ccc2c(c1)C(c1ccc(C(C)C)cc1)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000013473486 562966268 /nfs/dbraw/zinc/96/62/68/562966268.db2.gz DHXRTGCTWBJWLL-MUUNZHRXSA-N -1 0 472.537 6.346 1 0 JKAFRM COc1ccccc1C1=C(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473474 562966280 /nfs/dbraw/zinc/96/62/80/562966280.db2.gz KSYWIJXPPICDIM-SANMLTNESA-N -1 0 460.482 5.231 1 0 JKAFRM CCCC[C@@H](C(=O)OC)n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cn(CC(=O)[O-])c1=O ZINC000013488123 562968154 /nfs/dbraw/zinc/96/81/54/562968154.db2.gz GIMKPOFTIPWDRJ-QHCPKHFHSA-N -1 0 494.588 5.396 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccccc1CC(=O)[O-] ZINC000013488258 562968244 /nfs/dbraw/zinc/96/82/44/562968244.db2.gz QALKNNRYYQXXEQ-UHFFFAOYSA-N -1 0 459.542 6.312 1 0 JKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1cnc2ccccc2n1 ZINC000013489826 562968944 /nfs/dbraw/zinc/96/89/44/562968944.db2.gz LYQFSCINIZRVRK-UHFFFAOYSA-N -1 0 465.353 5.348 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3cccs3)s2)[C@@H]2CC[C@H]1C2 ZINC000013521215 562970905 /nfs/dbraw/zinc/97/09/05/562970905.db2.gz WSSYVLXACJHPHA-FQMBLGGNSA-N -1 0 465.662 5.371 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3sc4ccccc4c3c2)[C@@H]2CC[C@H]1C2 ZINC000013521292 562970954 /nfs/dbraw/zinc/97/09/54/562970954.db2.gz HPHBQFPCCPSDQK-DUMHOLGYSA-N -1 0 483.655 5.949 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@@H]2CC[C@H]1C2 ZINC000013521288 562970958 /nfs/dbraw/zinc/97/09/58/562970958.db2.gz KHFZJPPLEJYSSI-UPQXWMOTSA-N -1 0 465.615 5.152 1 0 JKAFRM CC(/C=C/c1sccc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCCC(F)F)=C\C(=O)[O-] ZINC000013527172 562971729 /nfs/dbraw/zinc/97/17/29/562971729.db2.gz DCMLUNATSBWZJQ-PICNROBXSA-N -1 0 476.629 8.088 1 0 JKAFRM CCCC/C(=C\Cn1oc(=O)n(CC(=O)[O-])c1=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000013558176 562974275 /nfs/dbraw/zinc/97/42/75/562974275.db2.gz DZHJLTJPXXFIFK-OVCLIPMQSA-N -1 0 493.343 5.061 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000013558250 562974320 /nfs/dbraw/zinc/97/43/20/562974320.db2.gz TXLITTKQEGRQKY-FUAOEXFOSA-N -1 0 469.710 6.741 1 0 JKAFRM O=S(=O)([N-]c1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1)C(F)(F)F ZINC000013560078 562975197 /nfs/dbraw/zinc/97/51/97/562975197.db2.gz YRFSNGDUAYYWPE-VMPITWQZSA-N -1 0 462.880 6.473 1 0 JKAFRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(cccc3OCc3cccc(Br)c3)c2)cc1 ZINC000013560105 562975294 /nfs/dbraw/zinc/97/52/94/562975294.db2.gz VXNJJIJNDCLWNQ-UHFFFAOYSA-N -1 0 476.326 6.132 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(NC)c2C(=O)[O-])cc1 ZINC000013560850 562975443 /nfs/dbraw/zinc/97/54/43/562975443.db2.gz CFKCMOXRJNHAFP-UHFFFAOYSA-N -1 0 465.557 5.614 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(N)c2C(=O)[O-])cc1 ZINC000013560849 562975452 /nfs/dbraw/zinc/97/54/52/562975452.db2.gz ZZLVFYACIJHFAR-UHFFFAOYSA-N -1 0 451.530 5.154 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc12 ZINC000013588143 562977456 /nfs/dbraw/zinc/97/74/56/562977456.db2.gz ULGCORFVBRRPKZ-UHFFFAOYSA-N -1 0 490.603 6.643 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2c1cccc2Cl ZINC000013588154 562977486 /nfs/dbraw/zinc/97/74/86/562977486.db2.gz NKMGEUQQNZHNBQ-UHFFFAOYSA-N -1 0 481.979 7.230 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc(SCC(=O)[O-])cc2Br)ccc1O ZINC000013602487 562978439 /nfs/dbraw/zinc/97/84/39/562978439.db2.gz RUHGTYKCAYZMLS-UHFFFAOYSA-N -1 0 476.186 6.010 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc(OCC(=O)[O-])cc2Br)ccc1O ZINC000013602490 562978452 /nfs/dbraw/zinc/97/84/52/562978452.db2.gz UUUBSJYRKJGJIB-UHFFFAOYSA-N -1 0 460.118 5.296 1 0 JKAFRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@](C)(Cc1ccc(Cl)cc1)Oc1ccc(C(C)C)cc1 ZINC000013604876 562978577 /nfs/dbraw/zinc/97/85/77/562978577.db2.gz JUHWKEKNZCSZCG-SANMLTNESA-N -1 0 486.033 5.657 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n(S(=O)(=O)c1ccccc1)c(-c1ccccc1)c2C1CCCCC1 ZINC000013609931 562979226 /nfs/dbraw/zinc/97/92/26/562979226.db2.gz ITHMQOQUXFOUON-UHFFFAOYSA-N -1 0 459.567 6.291 1 0 JKAFRM Cc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2CC(=O)N2CCOCC2)cc1 ZINC000013609975 562979227 /nfs/dbraw/zinc/97/92/27/562979227.db2.gz WKFFGELPYSAKDR-UHFFFAOYSA-N -1 0 460.574 5.221 1 0 JKAFRM CCCC(=O)c1cn(Cc2ccc(C(=O)[O-])cc2OC)c2cc(NC(=O)CC3CCCC3)ccc12 ZINC000013650704 562981228 /nfs/dbraw/zinc/98/12/28/562981228.db2.gz NPENBMZHXIHKEQ-UHFFFAOYSA-N -1 0 476.573 5.898 1 0 JKAFRM O=C(Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2)c1ccc(Cl)c(Cl)c1 ZINC000013661151 562982268 /nfs/dbraw/zinc/98/22/68/562982268.db2.gz HEDHTKLUMVULAI-UHFFFAOYSA-N -1 0 460.700 6.378 3 0 JKAFRM CC(SCCc1c(CO)oc2c1cccc2OCC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000013671556 562982474 /nfs/dbraw/zinc/98/24/74/562982474.db2.gz VQNGUZVGSDDDEI-UHFFFAOYSA-N -1 0 462.567 5.628 1 0 JKAFRM CC(SCCc1c(CCO)oc2c1cccc2OCC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000013671564 562982483 /nfs/dbraw/zinc/98/24/83/562982483.db2.gz RFHFLABUEIMYLC-UHFFFAOYSA-N -1 0 476.594 5.670 1 0 JKAFRM CC(C)(C)[C@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671821 562982544 /nfs/dbraw/zinc/98/25/44/562982544.db2.gz QKQFLHYSVRUCLQ-HSZRJFAPSA-N -1 0 486.914 6.097 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2nc(C3CCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674736 562983102 /nfs/dbraw/zinc/98/31/02/562983102.db2.gz SWOWFWBJUIRCIU-UHFFFAOYSA-N -1 0 461.606 6.167 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OC[C@H](C)COc1cccc2c1ccn2CC(=O)[O-] ZINC000013677974 562983648 /nfs/dbraw/zinc/98/36/48/562983648.db2.gz NXPYXUKYEYUULC-OAHLLOKOSA-N -1 0 490.478 5.932 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013677966 562983694 /nfs/dbraw/zinc/98/36/94/562983694.db2.gz CTQAHDQWGGICBF-UHFFFAOYSA-N -1 0 490.478 6.076 1 0 JKAFRM Cc1c(CCOc2ccc(C(=O)[O-])cc2)c2ccc(Cl)cc2n1C(c1ccccc1)c1ccccc1 ZINC000013678404 562983716 /nfs/dbraw/zinc/98/37/16/562983716.db2.gz RPHGINIBBGSYQV-UHFFFAOYSA-N -1 0 496.006 7.561 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc2c(ccn2CCC(=O)[O-])c1 ZINC000013677986 562983736 /nfs/dbraw/zinc/98/37/36/562983736.db2.gz ZGOFUEGMFXFQKE-UHFFFAOYSA-N -1 0 490.478 6.076 1 0 JKAFRM Cc1c(CCNc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678393 562983749 /nfs/dbraw/zinc/98/37/49/562983749.db2.gz DZNOQUGZSMUSRF-UHFFFAOYSA-N -1 0 495.022 7.594 1 0 JKAFRM O=C([O-])Cn1ccc2cc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)ccc21 ZINC000013681513 562984204 /nfs/dbraw/zinc/98/42/04/562984204.db2.gz YLXUCIABXCKZJS-UHFFFAOYSA-N -1 0 479.532 5.958 1 0 JKAFRM CSc1ccc(-c2nc(CCc3cccc(OCC(=O)[O-])c3)oc2-c2ccc(SC)cc2)cc1 ZINC000013727448 562984966 /nfs/dbraw/zinc/98/49/66/562984966.db2.gz QAXLMCBIKSVCSC-UHFFFAOYSA-N -1 0 491.634 6.701 1 0 JKAFRM O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc(-c3ccccc3)c1-c1ccccc1)c1ccccc1CO2 ZINC000013727065 562984988 /nfs/dbraw/zinc/98/49/88/562984988.db2.gz VOJJGXFQXAWELG-WPWMEQJKSA-N -1 0 484.555 6.940 1 0 JKAFRM O=C([O-])[C@H](CCCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCCc1cccnc1 ZINC000013730329 562985146 /nfs/dbraw/zinc/98/51/46/562985146.db2.gz STCLXOXMNLDBJD-OAQYLSRUSA-N -1 0 481.058 5.468 1 0 JKAFRM COc1ccc(-c2cccc3c2C[C@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C ZINC000013731563 562985230 /nfs/dbraw/zinc/98/52/30/562985230.db2.gz HFUNGTCBEHVZMT-MUUNZHRXSA-N -1 0 491.587 5.841 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(ccn2C(=O)c2ccccc2NC(=O)[O-])c1 ZINC000013732375 562985305 /nfs/dbraw/zinc/98/53/05/562985305.db2.gz YTGANARXNLBQDW-UHFFFAOYSA-N -1 0 467.529 5.392 1 0 JKAFRM O=C([O-])CCCC[C@@H](c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733229 562985547 /nfs/dbraw/zinc/98/55/47/562985547.db2.gz OXTRWYUMANEPHR-DEOSSOPVSA-N -1 0 487.021 5.033 1 0 JKAFRM CCCC[C@H](C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742333 562987365 /nfs/dbraw/zinc/98/73/65/562987365.db2.gz IYYSIQPDSMYKBM-LSSWGTAKSA-N -1 0 462.590 6.678 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c4c(ccc3cc21)c(-c1ccc(C(=O)[O-])cc1)cn4Cc1cccnc1 ZINC000013742706 562987572 /nfs/dbraw/zinc/98/75/72/562987572.db2.gz BWBCRXXPPYAQHQ-UHFFFAOYSA-N -1 0 488.631 7.952 1 0 JKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccccc3)cc2CC)ccc2c1O[C@H](C(=O)[O-])CC2 ZINC000013744123 562987829 /nfs/dbraw/zinc/98/78/29/562987829.db2.gz MDRDHTAZJISAOQ-MHZLTWQESA-N -1 0 490.596 6.200 1 0 JKAFRM O=C([O-])c1ccc2cc(-c3ccc(C[C@@H](O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000013745057 562987985 /nfs/dbraw/zinc/98/79/85/562987985.db2.gz XOGICLJNEFNTER-KRPUYHOJSA-N -1 0 456.582 5.569 1 0 JKAFRM CCCCc1ncn(Cc2cccs2)c(=O)c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013744578 562987987 /nfs/dbraw/zinc/98/79/87/562987987.db2.gz NDHMTAKGFSSBJJ-UHFFFAOYSA-N -1 0 458.583 5.652 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NS(=O)(=O)N=C([O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000013747431 562988381 /nfs/dbraw/zinc/98/83/81/562988381.db2.gz WVGNUCIXLLGKOT-UHFFFAOYSA-N -1 0 479.646 6.002 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Oc1c(C(C)C)cc(F)cc1C(C)C ZINC000013747622 562988447 /nfs/dbraw/zinc/98/84/47/562988447.db2.gz FNVYNCGHIQVLMO-UHFFFAOYSA-N -1 0 479.614 6.732 1 0 JKAFRM CCC[C@@H](C(=O)[O-])[C@@H](c1ccccc1)c1ccc(Cn2c(CC)nc3c2nc(C)cc3C)cc1 ZINC000013756209 562988734 /nfs/dbraw/zinc/98/87/34/562988734.db2.gz CWSUXCKXSVUDKX-RSXGOPAZSA-N -1 0 455.602 6.292 1 0 JKAFRM C/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2ccc(OCc3ccccc3)cc12)C(=O)[O-] ZINC000013758660 562988991 /nfs/dbraw/zinc/98/89/91/562988991.db2.gz BIBOYBNEOWGFQZ-OQKWZONESA-N -1 0 482.580 5.409 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cn1cc(/C=C/C=C/C(=O)[O-])c2c1cccc2OCc1ccccc1 ZINC000013758681 562989027 /nfs/dbraw/zinc/98/90/27/562989027.db2.gz GCWGCESBSKNNQN-DUAZVESASA-N -1 0 494.591 5.575 1 0 JKAFRM O=C([O-])/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 ZINC000013758989 562989063 /nfs/dbraw/zinc/98/90/63/562989063.db2.gz CHDOYCYCRUYHFH-PKNBQFBNSA-N -1 0 464.345 6.497 1 0 JKAFRM CCOC(=O)C[C@H](C[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21)C(=O)[O-] ZINC000013781935 562992275 /nfs/dbraw/zinc/99/22/75/562992275.db2.gz SVZKSTLFKNEAPQ-WSRZANJLSA-N -1 0 490.725 6.921 1 0 JKAFRM CSCC[C@H](NC(=O)c1ccc(CSc2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000013781631 562992296 /nfs/dbraw/zinc/99/22/96/562992296.db2.gz UBEMWTOJVKGDNS-QHCPKHFHSA-N -1 0 466.628 5.285 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2)c1Cc1ccccc1 ZINC000013782433 562992550 /nfs/dbraw/zinc/99/25/50/562992550.db2.gz NDZFZLQOTKAJTH-UHFFFAOYSA-N -1 0 460.599 6.240 1 0 JKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCc3ccccc3)co2)cc1)c1cccnc1 ZINC000013782516 562992597 /nfs/dbraw/zinc/99/25/97/562992597.db2.gz GZYRADOPCAPBPA-OPEKNORGSA-N -1 0 481.552 5.743 1 0 JKAFRM CCc1cc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c2ccccc2C)cc1COc1cccnc1 ZINC000013800688 562994050 /nfs/dbraw/zinc/99/40/50/562994050.db2.gz QISPGIOISYGLLE-VWLOTQADSA-N -1 0 478.614 5.135 1 0 JKAFRM O=C([O-])CCCc1ccc(NC(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000013804742 562994913 /nfs/dbraw/zinc/99/49/13/562994913.db2.gz OKHNULCDQJNMKH-UHFFFAOYSA-N -1 0 490.559 6.627 1 0 JKAFRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804782 562994958 /nfs/dbraw/zinc/99/49/58/562994958.db2.gz LJGACYHHXPUHQJ-LJQANCHMSA-N -1 0 476.532 6.407 1 0 JKAFRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804761 562994984 /nfs/dbraw/zinc/99/49/84/562994984.db2.gz YVOBAAHJTNUEMA-HXUWFJFHSA-N -1 0 490.559 6.085 1 0 JKAFRM CN(C(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(CCCC(=O)[O-])cc1 ZINC000013804885 562995004 /nfs/dbraw/zinc/99/50/04/562995004.db2.gz LVGJLCAJMFGBBX-UHFFFAOYSA-N -1 0 468.553 5.427 1 0 JKAFRM O=C([O-])c1ccc(COC(=O)Nc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000013804833 562995041 /nfs/dbraw/zinc/99/50/41/562995041.db2.gz ZSAJKFANKIXZJV-UHFFFAOYSA-N -1 0 478.504 6.414 1 0 JKAFRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804784 562995069 /nfs/dbraw/zinc/99/50/69/562995069.db2.gz LJGACYHHXPUHQJ-IBGZPJMESA-N -1 0 476.532 6.407 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3ccsc3Cc3ccccc3)cc2)cc1 ZINC000013806768 562995245 /nfs/dbraw/zinc/99/52/45/562995245.db2.gz JSTJZJLMURZOSU-SSEXGKCCSA-N -1 0 490.624 7.748 1 0 JKAFRM CCCCc1nc(Cl)c(CNC(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013823698 562998038 /nfs/dbraw/zinc/99/80/38/562998038.db2.gz ILZDHYCEMYDSNJ-UHFFFAOYSA-N -1 0 469.969 5.539 1 0 JKAFRM CC(C)c1c(O)c(C(C)C)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1 ZINC000013824737 562998239 /nfs/dbraw/zinc/99/82/39/562998239.db2.gz CJLNTHWSOLNMNY-UXHICEINSA-N -1 0 476.585 5.534 1 0 JKAFRM CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C ZINC000013824735 562998245 /nfs/dbraw/zinc/99/82/45/562998245.db2.gz KFESYODZAQTVOQ-UXHICEINSA-N -1 0 476.585 5.534 1 0 JKAFRM CCSc1nnc(-c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825591 562998300 /nfs/dbraw/zinc/99/83/00/562998300.db2.gz MVXLQRRYBLQKIQ-UHFFFAOYSA-N -1 0 458.543 5.056 1 0 JKAFRM CC(C)c1ccc2c(CCCCCCCNS(=O)(=O)c3ccccc3)cc(C(=O)[O-])c-2cc1 ZINC000013826286 562998482 /nfs/dbraw/zinc/99/84/82/562998482.db2.gz XCARIGILPOERCX-UHFFFAOYSA-N -1 0 467.631 6.085 1 0 JKAFRM CC(C)c1ccc2c(/C=C/C(=O)[O-])cc(CCCCNS(=O)(=O)c3ccccc3)c-2cc1 ZINC000013826302 562998492 /nfs/dbraw/zinc/99/84/92/562998492.db2.gz OKMNXGXPZHOUBU-DTQAZKPQSA-N -1 0 451.588 5.314 1 0 JKAFRM CCCCC1=NC(CCCC)(CCCC)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833561 563000596 /nfs/dbraw/zinc/00/05/96/563000596.db2.gz LDBGBLYCWFBLDN-UHFFFAOYSA-N -1 0 462.634 7.102 1 0 JKAFRM CC(C)OC(=O)[C@@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834137 563000759 /nfs/dbraw/zinc/00/07/59/563000759.db2.gz NVADPHYDEMJBBB-DEOSSOPVSA-N -1 0 485.536 5.750 1 0 JKAFRM C[S@@](=O)[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834151 563000775 /nfs/dbraw/zinc/00/07/75/563000775.db2.gz ZHJHSGXDNPZKJI-NBLPZQPVSA-N -1 0 461.539 5.134 1 0 JKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](CCCc1ccccc1)CCC2 ZINC000013834018 563000804 /nfs/dbraw/zinc/00/08/04/563000804.db2.gz FAHQKCBPYZOYKG-SCACPKKRSA-N -1 0 492.591 5.054 1 0 JKAFRM C[S@@](=O)[C@@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834149 563000820 /nfs/dbraw/zinc/00/08/20/563000820.db2.gz ZHJHSGXDNPZKJI-KATKFWMUSA-N -1 0 461.539 5.134 1 0 JKAFRM Cn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c(-c2cccc(OCC(=O)[O-])c2)n1 ZINC000013834187 563000833 /nfs/dbraw/zinc/00/08/33/563000833.db2.gz KBIXFTLSFZCFTM-UHFFFAOYSA-N -1 0 451.482 5.540 1 0 JKAFRM CC(C)(C)[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834158 563000889 /nfs/dbraw/zinc/00/08/89/563000889.db2.gz FPCIJEPFMZVEHT-XMMPIXPASA-N -1 0 455.554 6.844 1 0 JKAFRM O=C([O-])COc1cccc(C[C@H](CCCCO)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834171 563000901 /nfs/dbraw/zinc/00/09/01/563000901.db2.gz LRCXCDGUULGDHO-DEOSSOPVSA-N -1 0 471.553 5.961 1 0 JKAFRM CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OCC(=O)[O-] ZINC000013835876 563001489 /nfs/dbraw/zinc/00/14/89/563001489.db2.gz YRRAKQFQGINEPT-KPKJWKMQSA-N -1 0 462.970 5.316 1 0 JKAFRM CCCSc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)[O-])[C@H]2c1ccc2c(c1)OCO2 ZINC000013859861 563001651 /nfs/dbraw/zinc/00/16/51/563001651.db2.gz CQHSRRONBVIJRO-KMDXXIMOSA-N -1 0 463.555 5.299 1 0 JKAFRM Cc1ccc(-c2ccc(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)cc1 ZINC000013861078 563002365 /nfs/dbraw/zinc/00/23/65/563002365.db2.gz XFEHAFSETWBAJC-PKTZIBPZSA-N -1 0 466.549 5.557 1 0 JKAFRM CC(=O)O[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@@H]2CC(=O)[O-])C(=O)C1 ZINC000013862235 563002763 /nfs/dbraw/zinc/00/27/63/563002763.db2.gz GFTWFYLFSOGAEP-ZHERTXFJSA-N -1 0 476.698 6.673 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CC=C[C@@H]2C(=O)[O-])cc1C(F)(F)F ZINC000013863831 563003648 /nfs/dbraw/zinc/00/36/48/563003648.db2.gz HHWSDMCKOLNFCZ-FMAYLGMYSA-N -1 0 461.505 5.845 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CC=C[C@H]2C(=O)[O-])cc1C(F)(F)F ZINC000013863832 563003667 /nfs/dbraw/zinc/00/36/67/563003667.db2.gz HHWSDMCKOLNFCZ-RDELFYGPSA-N -1 0 461.505 5.845 1 0 JKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@H](C(=O)[O-])N(C(=O)[C@@H](c1ccccc1)C1CCCC1)C2 ZINC000013904217 563004368 /nfs/dbraw/zinc/00/43/68/563004368.db2.gz ITHVMZQOZVQHHY-IAPPQJPRSA-N -1 0 499.607 5.586 1 0 JKAFRM COc1ccc(C(=O)C[C@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000013907049 563004437 /nfs/dbraw/zinc/00/44/37/563004437.db2.gz FVBLQAOPHNAFHB-IBGZPJMESA-N -1 0 466.917 5.685 1 0 JKAFRM CN(CCOc1ccc(C[C@H](CCOc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000013906336 563004467 /nfs/dbraw/zinc/00/44/67/563004467.db2.gz KDXBJMKZZRDYGR-NRFANRHFSA-N -1 0 460.530 5.055 1 0 JKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000013915810 563004604 /nfs/dbraw/zinc/00/46/04/563004604.db2.gz LCFWOFKPFDWYLR-UDKTZTBJSA-N -1 0 488.753 8.598 1 0 JKAFRM CS(=O)(=O)c1ccnc2c1c(Sc1cccc3ccccc31)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000013976323 563004968 /nfs/dbraw/zinc/00/49/68/563004968.db2.gz KDYFIMFGTYIEBR-MRXNPFEDSA-N -1 0 466.584 5.096 1 0 JKAFRM CO[C@H]1C=C(CC/C=C(\C)CC/C=C(\C)CCC[C@@H](C)C=C2OC(=O)C(C)=C2[O-])[C@H](OC)O1 ZINC000014681600 563006195 /nfs/dbraw/zinc/00/61/95/563006195.db2.gz NOHWRIRNNOPMMP-CYCWJDOBSA-N -1 0 460.611 6.420 1 0 JKAFRM O=C1O/C(=C\c2cc(Br)c([O-])c(Br)c2)C(c2ccc(O)cc2)=C1Cl ZINC000014688745 563006256 /nfs/dbraw/zinc/00/62/56/563006256.db2.gz FQHRNOPXDAVPCA-QPEQYQDCSA-N -1 0 472.516 5.171 1 0 JKAFRM Cc1cccc(C)c1-c1ccc2cc(C[C@@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])ccc2n1 ZINC000014963450 563008547 /nfs/dbraw/zinc/00/85/47/563008547.db2.gz MGDPDAMROZWJND-HSZRJFAPSA-N -1 0 493.390 6.251 1 0 JKAFRM COc1cc(-c2nnc(Cc3ccc(CCC(=O)[O-])cc3)o2)ccc1NC(=O)Nc1ccccc1C ZINC000014963393 563008556 /nfs/dbraw/zinc/00/85/56/563008556.db2.gz LOGCEVKOOFWDAC-UHFFFAOYSA-N -1 0 486.528 5.306 1 0 JKAFRM COc1cc(-c2ccn(Cc3ccc(CCC(=O)[O-])cc3)n2)ccc1NC(=O)Nc1ccccc1C ZINC000014963389 563008558 /nfs/dbraw/zinc/00/85/58/563008558.db2.gz DNCZRXJEVONPQW-UHFFFAOYSA-N -1 0 484.556 5.577 1 0 JKAFRM Cc1cccc(C)c1-c1ccc2cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])ccc2n1 ZINC000014963454 563008566 /nfs/dbraw/zinc/00/85/66/563008566.db2.gz MGDPDAMROZWJND-QHCPKHFHSA-N -1 0 493.390 6.251 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3ccccc3)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963474 563008568 /nfs/dbraw/zinc/00/85/68/563008568.db2.gz BTHPDGDWQRPCKW-JOCHJYFZSA-N -1 0 465.336 5.634 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3nccs3)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963532 563008680 /nfs/dbraw/zinc/00/86/80/563008680.db2.gz NBRSUOHLXXYRPH-GOSISDBHSA-N -1 0 472.353 5.091 1 0 JKAFRM CCC(CC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)cc1Br ZINC000014969205 563009579 /nfs/dbraw/zinc/00/95/79/563009579.db2.gz YFEVUUNMUSDKFZ-UHFFFAOYSA-N -1 0 489.193 6.550 1 0 JKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(F)cccc43)c2)cc1 ZINC000014972541 563009890 /nfs/dbraw/zinc/00/98/90/563009890.db2.gz XUAMCPQLEJKSQK-UHFFFAOYSA-N -1 0 490.534 6.511 1 0 JKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc43)c2)cc1 ZINC000014972553 563009893 /nfs/dbraw/zinc/00/98/93/563009893.db2.gz MFLGRDLZNMSORM-UHFFFAOYSA-N -1 0 493.006 7.385 1 0 JKAFRM Cc1cnc2c(cccc2C(F)(F)F)c1-c1cccc(NCc2ccc(CC(=O)[O-])cc2)c1 ZINC000014972508 563009895 /nfs/dbraw/zinc/00/98/95/563009895.db2.gz OEDBWXLEGYGITE-UHFFFAOYSA-N -1 0 450.460 6.468 1 0 JKAFRM Cc1cccc2c1ncc(C(=O)c1ccccc1)c2-c1cccc(NCc2ccc(CC(=O)[O-])cc2)c1 ZINC000014972533 563009897 /nfs/dbraw/zinc/00/98/97/563009897.db2.gz AJSJAQQMFKYODQ-UHFFFAOYSA-N -1 0 486.571 6.680 1 0 JKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000014974405 563010084 /nfs/dbraw/zinc/01/00/84/563010084.db2.gz NMTNXSFVPYVROS-DHIUTWEWSA-N -1 0 462.933 6.335 1 0 JKAFRM CNC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccc(C(=O)[C@@H]4CCC[C@H]4C(=O)[O-])cc3)cc2)c1 ZINC000014974411 563010209 /nfs/dbraw/zinc/01/02/09/563010209.db2.gz FNAJRLWEZUMJRJ-DNQXCXABSA-N -1 0 485.540 5.041 1 0 JKAFRM CCCc1cc(-c2nccs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977105 563010412 /nfs/dbraw/zinc/01/04/12/563010412.db2.gz VCBBROSSYZDABH-IBGZPJMESA-N -1 0 451.588 6.115 1 0 JKAFRM COc1ccc(-c2c3cc(OCc4ccccc4)ccc3n(-c3ccc4c(c3)OCO4)c2C(=O)[O-])cc1 ZINC000026006114 563021468 /nfs/dbraw/zinc/02/14/68/563021468.db2.gz FDYWAWOHWCVFHZ-UHFFFAOYSA-N -1 0 493.515 6.312 1 0 JKAFRM CC(C)(C)C(=O)Oc1ccc(C(OC(=O)CCC(=O)[O-])c2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC000026005333 563021470 /nfs/dbraw/zinc/02/14/70/563021470.db2.gz WMHGAYQTMNYVCA-UHFFFAOYSA-N -1 0 484.545 5.087 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cc1nc(C(c3ccccc3)c3ccccc3)co1)C2 ZINC000026018372 563021845 /nfs/dbraw/zinc/02/18/45/563021845.db2.gz IHHPZGHMTWHVSE-FQEVSTJZSA-N -1 0 453.538 5.666 1 0 JKAFRM Cc1cccc2c1nc(C1CC1)c(Oc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)c2C(=O)[O-] ZINC000026167837 563023128 /nfs/dbraw/zinc/02/31/28/563023128.db2.gz LBIDHHXLVNOJBY-UHFFFAOYSA-N -1 0 463.497 5.758 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1Oc1ccccc1C(=O)[O-] ZINC000026255215 563024585 /nfs/dbraw/zinc/02/45/85/563024585.db2.gz LFNVIDIEXIPKDB-UHFFFAOYSA-N -1 0 485.628 7.054 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@H](C(=O)[O-])C(F)(F)F)cc1 ZINC000026290149 563025673 /nfs/dbraw/zinc/02/56/73/563025673.db2.gz WQXIWIURPCRFHM-XZOQPEGZSA-N -1 0 481.518 6.054 1 0 JKAFRM O=C([O-])CCc1ccc(OCC[C@@H]2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000026402127 563027661 /nfs/dbraw/zinc/02/76/61/563027661.db2.gz SUJVOTDRYQZDBY-DEOSSOPVSA-N -1 0 465.933 5.121 1 0 JKAFRM O=C([O-])Cc1ccccc1OCC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2O1 ZINC000026402768 563027685 /nfs/dbraw/zinc/02/76/85/563027685.db2.gz AFUHQGNPUYNDGM-GOSISDBHSA-N -1 0 458.341 5.989 1 0 JKAFRM CCOc1ccc2sc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4[O-])cc3)nc2c1 ZINC000026505675 563029435 /nfs/dbraw/zinc/02/94/35/563029435.db2.gz LZQMTWKRWSQWIR-UHFFFAOYSA-N -1 0 491.421 7.111 1 0 JKAFRM COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])ccc1Sc1nc2ccccc2s1 ZINC000026568777 563029831 /nfs/dbraw/zinc/02/98/31/563029831.db2.gz KUHXAYIYVKWKTI-UHFFFAOYSA-N -1 0 477.394 6.721 1 0 JKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4[O-])cc3)sc2c1 ZINC000026568522 563029862 /nfs/dbraw/zinc/02/98/62/563029862.db2.gz GYLUPDJCIHWOHD-UHFFFAOYSA-N -1 0 456.976 6.458 1 0 JKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccn2)nn1CC1CCCCC1 ZINC000026574447 563030292 /nfs/dbraw/zinc/03/02/92/563030292.db2.gz MDXRTAJOTSWYIC-UHFFFAOYSA-N -1 0 453.926 5.197 1 0 JKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2cccs2)nn1CC1CCCCC1 ZINC000026575587 563030386 /nfs/dbraw/zinc/03/03/86/563030386.db2.gz ZZCOFDUTPGOQFG-UHFFFAOYSA-N -1 0 458.967 5.863 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2-c2ccc(CC(C)C)cc2C)c1Br ZINC000026579026 563031074 /nfs/dbraw/zinc/03/10/74/563031074.db2.gz AWUGISSFNNESFD-UHFFFAOYSA-N -1 0 469.426 5.782 1 0 JKAFRM CCCCc1ccc(-c2ccsc2S(=O)(=O)[N-]c2onc(C)c2Br)cc1 ZINC000026579103 563031173 /nfs/dbraw/zinc/03/11/73/563031173.db2.gz KOUFSJACWKYFBC-UHFFFAOYSA-N -1 0 455.399 5.617 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C2CCCCC2)c1 ZINC000026730981 563034181 /nfs/dbraw/zinc/03/41/81/563034181.db2.gz ZPPPHDMTVCSBJZ-CZIZESTLSA-N -1 0 460.574 6.432 1 0 JKAFRM Cc1cc(Cl)cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC(=O)[O-] ZINC000026750438 563035250 /nfs/dbraw/zinc/03/52/50/563035250.db2.gz RGJLCDJTSHNOSR-FGZHOGPDSA-N -1 0 490.930 5.072 1 0 JKAFRM CC(C)c1c(O)c(C(C)C)c(C(C)C)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1 ZINC000026817136 563035411 /nfs/dbraw/zinc/03/54/11/563035411.db2.gz CJLNTHWSOLNMNY-WOJBJXKFSA-N -1 0 476.585 5.534 1 0 JKAFRM CCCCOc1c(/C(C)=C\C=C\C(=C\C(=O)[O-])C(F)(F)F)cc(C(C)(C)C)cc1C(C)(C)C ZINC000026953150 563038023 /nfs/dbraw/zinc/03/80/23/563038023.db2.gz BQLBHCZTEOUMEY-FETGSKBQSA-N -1 0 466.584 7.993 1 0 JKAFRM CC(=O)NCCCOc1cc(/C=C/C(=O)[O-])ccc1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000027106484 563040360 /nfs/dbraw/zinc/04/03/60/563040360.db2.gz MMELZRAENKYNBE-XBXARRHUSA-N -1 0 489.612 5.530 1 0 JKAFRM O=C([O-])c1ccc(OCC(=O)COc2ccc(SCCCCCc3ccco3)cc2)cc1 ZINC000027190367 563040957 /nfs/dbraw/zinc/04/09/57/563040957.db2.gz AVLBPBJAAQQHAC-UHFFFAOYSA-N -1 0 454.544 5.510 1 0 JKAFRM CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCCCCC(=O)[O-])c2c1C(=O)C(N)=O ZINC000027189725 563041004 /nfs/dbraw/zinc/04/10/04/563041004.db2.gz MEBCFEIGHZQMAB-UHFFFAOYSA-N -1 0 498.579 5.061 1 0 JKAFRM O=C([O-])c1cc(Cl)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc32)c(Cl)c1 ZINC000027315887 563042654 /nfs/dbraw/zinc/04/26/54/563042654.db2.gz SIQZVZWIOHSCAK-UHFFFAOYSA-N -1 0 464.305 5.738 1 0 JKAFRM CC(C)(C)c1cc2c(cc1O)CC[C@](C)(CCOc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027426273 563043957 /nfs/dbraw/zinc/04/39/57/563043957.db2.gz PJMZZASXTKZGFG-ATIYNZHBSA-N -1 0 469.603 5.137 1 0 JKAFRM CCOP(=O)(OCC)C(Cc1sc2ccccc2c1[O-])P(=O)(OCC)OCC ZINC000027517454 563044494 /nfs/dbraw/zinc/04/44/94/563044494.db2.gz FRPKPDCPEZNNJP-INIZCTEOSA-N -1 0 450.430 5.592 1 0 JKAFRM CC(C)c1csc(CCc2ccn3c(c2)nc(NCC2CCCCC2)c(/C=C/C(=O)[O-])c3=O)n1 ZINC000027547753 563045888 /nfs/dbraw/zinc/04/58/88/563045888.db2.gz XACHUTHCVKQJFZ-PKNBQFBNSA-N -1 0 480.634 5.150 1 0 JKAFRM CCCCC1=N[C@@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2n[nH]c(=O)[n-]2)cc1 ZINC000027555054 563046251 /nfs/dbraw/zinc/04/62/51/563046251.db2.gz IJWWXBCMKLFTHB-LJAQVGFWSA-N -1 0 485.632 5.702 1 0 JKAFRM CCCCC1=N[C@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2n[nH]c(=O)[n-]2)cc1 ZINC000027555056 563046428 /nfs/dbraw/zinc/04/64/28/563046428.db2.gz IJWWXBCMKLFTHB-GDLZYMKVSA-N -1 0 485.632 5.702 1 0 JKAFRM CCc1ccccc1[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1N1CCCCC1 ZINC000027561183 563046890 /nfs/dbraw/zinc/04/68/90/563046890.db2.gz GLOXUEWMCPSOOY-NDEPHWFRSA-N -1 0 456.586 5.386 1 0 JKAFRM CCOc1cc(CC(=O)N[C@@H](CC2CCCCC2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027562062 563046931 /nfs/dbraw/zinc/04/69/31/563046931.db2.gz ZKJHFYHKVSOUCZ-SANMLTNESA-N -1 0 492.660 6.144 1 0 JKAFRM C/C=C/C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCC)c1)c1ccccc1N1CCCCC1 ZINC000027562876 563047008 /nfs/dbraw/zinc/04/70/08/563047008.db2.gz BQSDVJKFONNTKT-UUCGHWEQSA-N -1 0 450.579 5.140 1 0 JKAFRM CCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCCC(C)(C)C)OC(=O)CCCCC ZINC000027653597 563048915 /nfs/dbraw/zinc/04/89/15/563048915.db2.gz VMSFLPRRWKRTHB-SFHVURJKSA-N -1 0 452.525 5.172 1 0 JKAFRM COc1ccc(OC)c(-c2c3oc4ccccc4c3n(Cc3ccccc3OC)c(=O)c2C(=O)[O-])c1 ZINC000027704645 563049531 /nfs/dbraw/zinc/04/95/31/563049531.db2.gz CJWWJPSCWFVUGP-UHFFFAOYSA-N -1 0 485.492 5.187 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3ccccc3C(C)C)c(=O)c2C(=O)[O-])cc1 ZINC000027711148 563049731 /nfs/dbraw/zinc/04/97/31/563049731.db2.gz XXMCFORHMPVCJI-UHFFFAOYSA-N -1 0 467.521 6.293 1 0 JKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@H](C)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027751436 563051256 /nfs/dbraw/zinc/05/12/56/563051256.db2.gz STLMIGJZAOXUKB-OWSXEPHWSA-N -1 0 455.620 6.382 1 0 JKAFRM CSc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)[O-])[C@@H](c3cccnc3)O2)cc1 ZINC000027758330 563051418 /nfs/dbraw/zinc/05/14/18/563051418.db2.gz IXDVHMMYGBQKIG-DBIZQGMDSA-N -1 0 457.592 5.502 1 0 JKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnc3ccccc3c2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027764093 563051561 /nfs/dbraw/zinc/05/15/61/563051561.db2.gz VDBMNWLQVQBYJK-FUVDXTNESA-N -1 0 496.632 6.317 1 0 JKAFRM CCCC[C@H](C(=O)[O-])N1C(=O)[C@@H](C)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846217 563051771 /nfs/dbraw/zinc/05/17/71/563051771.db2.gz STLMIGJZAOXUKB-CUHUQNRHSA-N -1 0 455.620 6.382 1 0 JKAFRM Cc1cc(C(=O)[O-])c2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000027895699 563053017 /nfs/dbraw/zinc/05/30/17/563053017.db2.gz AVHKQNUHCQKCAI-RUZDIDTESA-N -1 0 457.570 6.603 1 0 JKAFRM Nc1ccccc1NC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cccc3oc4ccccc4c32)cc1 ZINC000027978207 563053506 /nfs/dbraw/zinc/05/35/06/563053506.db2.gz WUJNLYVRMLHWLP-SAPNQHFASA-N -1 0 483.549 5.621 1 0 JKAFRM CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000027997179 563054198 /nfs/dbraw/zinc/05/41/98/563054198.db2.gz DEQLWAQQTORLIY-HKDUVXJVSA-N -1 0 472.710 6.204 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2CCc2c(C)cc(C)cc2C)c1Br ZINC000028009454 563054677 /nfs/dbraw/zinc/05/46/77/563054677.db2.gz UICXKCWFYWPAOT-UHFFFAOYSA-N -1 0 469.426 5.318 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2COc2c(C)cc(C)cc2C)c1Br ZINC000028008322 563054701 /nfs/dbraw/zinc/05/47/01/563054701.db2.gz KIFCJFDMMVRHIY-UHFFFAOYSA-N -1 0 471.398 5.112 1 0 JKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(OC(F)(F)F)cc3n2)c1)C(=O)[O-] ZINC000028022255 563055321 /nfs/dbraw/zinc/05/53/21/563055321.db2.gz PHPYDISUCJTNJT-UHFFFAOYSA-N -1 0 490.478 5.932 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC000028093186 563055763 /nfs/dbraw/zinc/05/57/63/563055763.db2.gz MEMSOGHDJLMQDL-RTBURBONSA-N -1 0 492.468 6.695 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCCCC(=O)[O-])c(Cl)c1Cl ZINC000028094344 563055796 /nfs/dbraw/zinc/05/57/96/563055796.db2.gz OHELAVHWEMILBF-IRXDYDNUSA-N -1 0 466.430 6.353 1 0 JKAFRM O=C([O-])c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1COCc1ccccc1)OCO3 ZINC000028118183 563056692 /nfs/dbraw/zinc/05/66/92/563056692.db2.gz AVXLWLLTGVMARZ-UHFFFAOYSA-N -1 0 456.450 5.379 1 0 JKAFRM Cc1c(Cc2ccc(O)cc2)c2cc(S(=O)(=O)[O-])ccc2n1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000028123094 563056921 /nfs/dbraw/zinc/05/69/21/563056921.db2.gz OCHRWNGJEQQJNL-UHFFFAOYSA-N -1 0 497.572 5.848 1 0 JKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCC5(CC5)CC4)cc3Cl)cc2O1 ZINC000028126012 563056929 /nfs/dbraw/zinc/05/69/29/563056929.db2.gz LTESPEAYFMUEAV-HHHXNRCGSA-N -1 0 485.020 6.794 1 0 JKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1 ZINC000028126520 563057033 /nfs/dbraw/zinc/05/70/33/563057033.db2.gz ZTPOSLAKJGFXNG-JOCHJYFZSA-N -1 0 488.886 5.687 1 0 JKAFRM COc1ccc2c(c1)c(Cc1ccc(OC(C)(C)C(=O)[O-])cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028133454 563057424 /nfs/dbraw/zinc/05/74/24/563057424.db2.gz GWYAJCNLNHXXBS-UHFFFAOYSA-N -1 0 491.971 6.133 1 0 JKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1 ZINC000028137414 563057702 /nfs/dbraw/zinc/05/77/02/563057702.db2.gz FIHJPLGXFTWHLZ-AREMUKBSSA-N -1 0 486.923 6.288 1 0 JKAFRM O=C([O-])CCc1ccccc1C[C@H]1CCC[C@@H]1c1nc(C(=O)NCc2ccc(Cl)cc2)co1 ZINC000028258944 563059308 /nfs/dbraw/zinc/05/93/08/563059308.db2.gz FXFUQACNHKFGPX-IRLDBZIGSA-N -1 0 466.965 5.402 1 0 JKAFRM Cc1nn(C(C)(C)C)c2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12 ZINC000028265486 563059546 /nfs/dbraw/zinc/05/95/46/563059546.db2.gz HFRZCVVACWPTMC-XICOBVEKSA-N -1 0 483.584 5.024 1 0 JKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C2CCCCC2)s1 ZINC000028347939 563060940 /nfs/dbraw/zinc/06/09/40/563060940.db2.gz GGCLCPQAZHYSGA-UHFFFAOYSA-N -1 0 456.951 6.267 1 0 JKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(OCc3ccc(F)cc3)cc2)C2CCCCC2)s1 ZINC000028357967 563061515 /nfs/dbraw/zinc/06/15/15/563061515.db2.gz SYUMNNGNGDIDSJ-UHFFFAOYSA-N -1 0 454.523 5.539 1 0 JKAFRM CC(C)C[C@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCCF)c1)c1ccccc1N1CCCCC1 ZINC000028389231 563063479 /nfs/dbraw/zinc/06/34/79/563063479.db2.gz SOUVIYRQMIWZAJ-QHCPKHFHSA-N -1 0 470.585 5.170 1 0 JKAFRM CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000028459289 563064377 /nfs/dbraw/zinc/06/43/77/563064377.db2.gz VYJUQLZGTWSUBI-SZXBBLOFSA-N -1 0 470.738 7.910 1 0 JKAFRM O=C([O-])c1c(-c2ccccc2)c2cc(NC(=O)Nc3ccc(F)cc3F)ccc2n1Cc1ccccc1 ZINC000028459473 563064431 /nfs/dbraw/zinc/06/44/31/563064431.db2.gz ISDZZHRCAYPGQX-UHFFFAOYSA-N -1 0 497.501 6.977 1 0 JKAFRM O=C([O-])C[C@H](c1ccccc1Cl)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028469604 563065180 /nfs/dbraw/zinc/06/51/80/563065180.db2.gz GNZVUFMXYDKYKQ-RUZDIDTESA-N -1 0 475.976 5.733 1 0 JKAFRM O=C([O-])C[C@@H](c1ccccc1Cl)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028469599 563065219 /nfs/dbraw/zinc/06/52/19/563065219.db2.gz GNZVUFMXYDKYKQ-VWLOTQADSA-N -1 0 475.976 5.733 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCC[C@H]3O[C@]32c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000028471021 563065400 /nfs/dbraw/zinc/06/54/00/563065400.db2.gz XQSDEHHCLDLVST-AJYOTADPSA-N -1 0 481.548 6.109 1 0 JKAFRM O=C([O-])C[C@H](c1cccnc1)n1ccc2cc(OCC(F)(F)c3ccc4c(n3)NCCC4)ccc21 ZINC000028472278 563065499 /nfs/dbraw/zinc/06/54/99/563065499.db2.gz BJFHAMYOMQLVTE-JOCHJYFZSA-N -1 0 478.499 5.024 1 0 JKAFRM Cc1ccc(C(=O)N/C(=C\c2ccc(Oc3ccccc3Br)cc2)C(=O)[O-])cc1 ZINC000028474293 563065767 /nfs/dbraw/zinc/06/57/67/563065767.db2.gz BOBHYXBYGCVCLK-ZHZULCJRSA-N -1 0 452.304 5.405 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)CCC1CCCC1 ZINC000028478030 563066194 /nfs/dbraw/zinc/06/61/94/563066194.db2.gz HISLGEVELWMHGP-HKWRFOASSA-N -1 0 458.352 5.754 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)Cc1ccc(F)cc1 ZINC000028520768 563066257 /nfs/dbraw/zinc/06/62/57/563066257.db2.gz ZQYUGJJIJIICMA-MOSHPQCFSA-N -1 0 470.294 5.165 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccccc4Cl)c(F)c3)nc2c1 ZINC000028520898 563066369 /nfs/dbraw/zinc/06/63/69/563066369.db2.gz NTIUIXPQSPLYIZ-JXMROGBWSA-N -1 0 450.853 5.566 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(OC(F)F)cc4)cc3)nc2c1 ZINC000028524965 563067396 /nfs/dbraw/zinc/06/73/96/563067396.db2.gz NNCCAPSFGMMEHA-UUILKARUSA-N -1 0 464.424 5.375 1 0 JKAFRM COc1ccc2c(Oc3cccc(C(F)(F)F)c3)c(C(=O)[O-])n(-c3ccc(C(C)(C)C)cc3)c2n1 ZINC000028528919 563068329 /nfs/dbraw/zinc/06/83/29/563068329.db2.gz DWOPUXFSCVVZET-UHFFFAOYSA-N -1 0 484.474 6.841 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCc3ccc(-c4nc(-c5ccccc5)oc4C)cc3)ccc21 ZINC000028563148 563068979 /nfs/dbraw/zinc/06/89/79/563068979.db2.gz OFFKMILAGQAMMX-XNMGPUDCSA-N -1 0 467.565 7.037 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCn3nc(-c4ccccc4)c4ccccc4c3=O)ccc21 ZINC000028563365 563068993 /nfs/dbraw/zinc/06/89/93/563068993.db2.gz LDRRSCQYFXFHBF-LADGPHEKSA-N -1 0 468.553 5.283 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(COc4ccc(Cl)cc4)oc3C)ccc21 ZINC000028565365 563069415 /nfs/dbraw/zinc/06/94/15/563069415.db2.gz IZISSIGDVNWEKJ-FYYLOGMGSA-N -1 0 469.965 5.978 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4Cl)oc3C)ccc21 ZINC000028565842 563069452 /nfs/dbraw/zinc/06/94/52/563069452.db2.gz RHBPHZFZEOLCGS-QUCCMNQESA-N -1 0 474.384 6.719 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(OC)c(OC)c4)oc3C)ccc21 ZINC000028565897 563069471 /nfs/dbraw/zinc/06/94/71/563069471.db2.gz JNDFJWWAPSRXSK-UNMCSNQZSA-N -1 0 465.546 5.429 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cccc5ccccc54)oc3C)ccc21 ZINC000028566010 563069557 /nfs/dbraw/zinc/06/95/57/563069557.db2.gz RLGDPPYJQMPBGX-WIOPSUGQSA-N -1 0 455.554 6.565 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@@H](CCCc1ccccc1)C(=O)[O-] ZINC000028566136 563069571 /nfs/dbraw/zinc/06/95/71/563069571.db2.gz NOFKKQONAUJXIN-URLMMPGGSA-N -1 0 495.619 7.025 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(Br)cc21 ZINC000028566182 563069590 /nfs/dbraw/zinc/06/95/90/563069590.db2.gz NTNBMXKREDPFSS-OALUTQOASA-N -1 0 484.390 6.175 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)ccc21 ZINC000028565989 563069593 /nfs/dbraw/zinc/06/95/93/563069593.db2.gz NITIDRCXHQKKIF-IXCJQBJRSA-N -1 0 481.592 7.079 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@H](CC(F)(F)F)C(=O)[O-] ZINC000028566328 563069648 /nfs/dbraw/zinc/06/96/48/563069648.db2.gz UIDIPZWJYQJSDR-SFTDATJTSA-N -1 0 459.464 5.955 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)ccc21 ZINC000028566290 563069660 /nfs/dbraw/zinc/06/96/60/563069660.db2.gz LDACFVHWDBQOOJ-ILBGXUMGSA-N -1 0 461.602 6.710 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(Br)cc21 ZINC000028566188 563069678 /nfs/dbraw/zinc/06/96/78/563069678.db2.gz NTNBMXKREDPFSS-RTBURBONSA-N -1 0 484.390 6.175 1 0 JKAFRM Cc1onc(NC(=O)NCCc2ccccc2)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028567946 563069969 /nfs/dbraw/zinc/06/99/69/563069969.db2.gz FJADSFIHWJPDLQ-UHFFFAOYSA-N -1 0 487.400 5.326 1 0 JKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)C1C(=O)OCC=C(c1ccccc1)c1ccccc1 ZINC000028568603 563069997 /nfs/dbraw/zinc/06/99/97/563069997.db2.gz GFNXRIFKRJYOHV-SYWZTQOGSA-N -1 0 499.994 7.175 1 0 JKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(Br)c2)C1C(=O)OC/C=C/c1ccccc1 ZINC000028568181 563070029 /nfs/dbraw/zinc/07/00/29/563070029.db2.gz OHSZUHVYBSEVDW-SEQIXAESSA-N -1 0 468.347 5.865 1 0 JKAFRM CCO[C@H](Cc1ccc(OCCCOc2ccc(-c3ccc(Br)cc3)cc2)cc1)C(=O)[O-] ZINC000028568664 563070152 /nfs/dbraw/zinc/07/01/52/563070152.db2.gz LUSYGFMXWQDQAB-RUZDIDTESA-N -1 0 499.401 5.996 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)OC1CCCC1 ZINC000028568946 563070217 /nfs/dbraw/zinc/07/02/17/563070217.db2.gz DQKATBNRDCPTAT-NDEPHWFRSA-N -1 0 460.570 6.156 1 0 JKAFRM CCCC[C@@H](CC)C(=O)Nc1onc(C(C)C)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569306 563070360 /nfs/dbraw/zinc/07/03/60/563070360.db2.gz MOGGKHGBVNAAKJ-CQSZACIVSA-N -1 0 494.476 6.932 1 0 JKAFRM CC(C)C(=O)Nc1onc(-c2ccncc2)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569406 563070391 /nfs/dbraw/zinc/07/03/91/563070391.db2.gz IWQQZYFGWXSJBA-UHFFFAOYSA-N -1 0 473.373 5.310 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)[O-] ZINC000028604545 563071641 /nfs/dbraw/zinc/07/16/41/563071641.db2.gz KGELVXQPIUKGCO-AFXBIYHISA-N -1 0 456.711 7.544 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)[O-] ZINC000028637102 563071862 /nfs/dbraw/zinc/07/18/62/563071862.db2.gz KDCSSVADTHDYGI-SVEKIWMDSA-N -1 0 454.695 7.752 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nccnc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000028637338 563071943 /nfs/dbraw/zinc/07/19/43/563071943.db2.gz VZYGKLAIQLFCPM-JOQCCHAVSA-N -1 0 492.748 7.312 1 0 JKAFRM CCCC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1)C(=O)[O-] ZINC000028652328 563074061 /nfs/dbraw/zinc/07/40/61/563074061.db2.gz JSZKCNGJIUQQQN-OAHLLOKOSA-N -1 0 455.448 5.217 1 0 JKAFRM CCCCOc1ccc(C[C@@H](CCC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028652332 563074088 /nfs/dbraw/zinc/07/40/88/563074088.db2.gz YFOSSOSPJLEQRP-QGZVFWFLSA-N -1 0 483.502 5.997 1 0 JKAFRM CC[C@H](Cc1ccc(OCc2ccccc2)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000028652271 563074102 /nfs/dbraw/zinc/07/41/02/563074102.db2.gz ADFJDYBYPYXLEP-HXUWFJFHSA-N -1 0 485.502 5.868 1 0 JKAFRM CSCO[C@@H](CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704714 563075229 /nfs/dbraw/zinc/07/52/29/563075229.db2.gz LWBVIUDQBHYATP-SFHVURJKSA-N -1 0 474.566 5.908 1 0 JKAFRM Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000028710198 563076134 /nfs/dbraw/zinc/07/61/34/563076134.db2.gz NWOQGTFCVBLDHG-UHFFFAOYSA-N -1 0 468.453 5.233 1 0 JKAFRM O=C([O-])c1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711857 563076572 /nfs/dbraw/zinc/07/65/72/563076572.db2.gz ZVDVDBRRGLVIKA-UHFFFAOYSA-N -1 0 453.542 6.443 1 0 JKAFRM CCCCCCN(c1ccc(O)c(C(C)C)c1)c1c(C)cc(C[C@@H]2SC(=O)[N-]C2=O)cc1C ZINC000028713846 563077408 /nfs/dbraw/zinc/07/74/08/563077408.db2.gz HYHPHPBTMIJDKR-DEOSSOPVSA-N -1 0 468.663 6.745 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C=C(S(=O)(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028757610 563077878 /nfs/dbraw/zinc/07/78/78/563077878.db2.gz WBNAYISKVWDYFF-OLDARXRGSA-N -1 0 463.684 5.448 1 0 JKAFRM Cc1ccccc1Cc1ccc2c(c1CCC(=O)[O-])CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028770916 563079170 /nfs/dbraw/zinc/07/91/70/563079170.db2.gz GQKCLNSPNQKXCZ-QHCPKHFHSA-N -1 0 498.044 5.092 1 0 JKAFRM Cc1ccccc1Cc1ccc2c(c1CCC(=O)[O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028770918 563079186 /nfs/dbraw/zinc/07/91/86/563079186.db2.gz GQKCLNSPNQKXCZ-HSZRJFAPSA-N -1 0 498.044 5.092 1 0 JKAFRM O=C([O-])Cn1ccc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc21 ZINC000028822721 563081192 /nfs/dbraw/zinc/08/11/92/563081192.db2.gz HPRZJTYQTBHRKL-UHFFFAOYSA-N -1 0 455.432 5.903 1 0 JKAFRM O=C([O-])Cc1coc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12 ZINC000028822717 563081214 /nfs/dbraw/zinc/08/12/14/563081214.db2.gz ZJLARBDRTDXSIO-UHFFFAOYSA-N -1 0 456.416 6.237 1 0 JKAFRM O=C([O-])COc1c(O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCc1ccccc1 ZINC000028825960 563082267 /nfs/dbraw/zinc/08/22/67/563082267.db2.gz YEBIAMGZPKOWOL-UHFFFAOYSA-N -1 0 486.364 6.139 1 0 JKAFRM O=C(Nc1ccc(F)cc1)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028870649 563084120 /nfs/dbraw/zinc/08/41/20/563084120.db2.gz QKJRQGZQBGEOBB-UHFFFAOYSA-N -1 0 473.740 5.839 1 0 JKAFRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc3nc(C4CCCCC4)c(-c4ccccc4)nc3c2)cc1 ZINC000028880070 563084625 /nfs/dbraw/zinc/08/46/25/563084625.db2.gz RVCREOKJZIRQHV-QGOAFFKASA-N -1 0 477.564 6.695 1 0 JKAFRM CCCC(CCC)NS(=O)(=O)c1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000028887049 563085016 /nfs/dbraw/zinc/08/50/16/563085016.db2.gz DIIRVQPRYSBTEH-UHFFFAOYSA-N -1 0 468.575 5.037 1 0 JKAFRM CCc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2-c2ccccn2)ccc1CCC(=O)[O-] ZINC000028890954 563085094 /nfs/dbraw/zinc/08/50/94/563085094.db2.gz JUWZDSPINIDMLW-GOSISDBHSA-N -1 0 487.518 6.583 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(F)ccc3o2)c1)C(=O)[O-] ZINC000028900669 563085995 /nfs/dbraw/zinc/08/59/95/563085995.db2.gz SZSLEUWJFXSNBT-DEOSSOPVSA-N -1 0 478.520 5.685 1 0 JKAFRM CC[C@@H](Oc1cccc(CCN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900656 563086003 /nfs/dbraw/zinc/08/60/03/563086003.db2.gz ZXGVZFWJJZQPQY-RUZDIDTESA-N -1 0 474.557 5.588 1 0 JKAFRM C[C@H](Oc1cccc(CCN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900650 563086035 /nfs/dbraw/zinc/08/60/35/563086035.db2.gz CMWSHFQRDBTTGN-FQEVSTJZSA-N -1 0 460.530 5.198 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C)ccc3o2)c1)C(=O)[O-] ZINC000028900705 563086042 /nfs/dbraw/zinc/08/60/42/563086042.db2.gz JHVLXXITSNQNAT-RUZDIDTESA-N -1 0 474.557 5.854 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccc(C)cc2C)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900811 563086082 /nfs/dbraw/zinc/08/60/82/563086082.db2.gz NPCOVXRHNOWSPC-VWLOTQADSA-N -1 0 488.584 6.162 1 0 JKAFRM C[C@@H](OC(=O)Nc1ccccc1-c1ccc(CSCCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903555 563086535 /nfs/dbraw/zinc/08/65/35/563086535.db2.gz AVXXLUPPYOJIOV-QGZVFWFLSA-N -1 0 469.990 7.025 1 0 JKAFRM CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc([C@@H](O)C(=O)[O-])c1 ZINC000028948720 563086615 /nfs/dbraw/zinc/08/66/15/563086615.db2.gz XNUXWDRMQSICPA-SSEXGKCCSA-N -1 0 474.560 6.554 1 0 JKAFRM CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc([C@H](O)C(=O)[O-])c1 ZINC000028948722 563086622 /nfs/dbraw/zinc/08/66/22/563086622.db2.gz XNUXWDRMQSICPA-PMERELPUSA-N -1 0 474.560 6.554 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@H]4C[C@H]4C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952175 563087373 /nfs/dbraw/zinc/08/73/73/563087373.db2.gz HINFJNJYAGNCSO-SJLPKXTDSA-N -1 0 461.480 5.783 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(C[C@@H](C)C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952193 563087383 /nfs/dbraw/zinc/08/73/83/563087383.db2.gz MANSRUMBHGHGBM-OAHLLOKOSA-N -1 0 463.496 5.858 1 0 JKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028951951 563087389 /nfs/dbraw/zinc/08/73/89/563087389.db2.gz ZSVSTRYAMXEELD-DEOSSOPVSA-N -1 0 453.538 6.443 1 0 JKAFRM O=C([O-])C[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3CCc3ccccc3)ccc21 ZINC000028952021 563087390 /nfs/dbraw/zinc/08/73/90/563087390.db2.gz PIBYPYZWTDUXDG-DEOSSOPVSA-N -1 0 467.565 6.253 1 0 JKAFRM Cc1sc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028951994 563087401 /nfs/dbraw/zinc/08/74/01/563087401.db2.gz JTCUMCHYTSIFQJ-DEOSSOPVSA-N -1 0 469.606 6.912 1 0 JKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3cccc(Cl)c3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962532 563089111 /nfs/dbraw/zinc/08/91/11/563089111.db2.gz IFTDKNFNBSSZJY-QHCPKHFHSA-N -1 0 467.352 6.266 1 0 JKAFRM COc1ccc(-n2nc(/C=C(\C(=O)[O-])c3cccc(C)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963396 563089211 /nfs/dbraw/zinc/08/92/11/563089211.db2.gz XYOHEDZCCNHUOL-HMAPJEAMSA-N -1 0 479.363 6.788 1 0 JKAFRM CCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972018 563089683 /nfs/dbraw/zinc/08/96/83/563089683.db2.gz YKWASLSWJYNXIJ-QFIPXVFZSA-N -1 0 469.651 5.509 1 0 JKAFRM CCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971928 563089693 /nfs/dbraw/zinc/08/96/93/563089693.db2.gz FGADWAMIKFXIIG-QGZVFWFLSA-N -1 0 498.592 6.275 1 0 JKAFRM CC(C)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972106 563089778 /nfs/dbraw/zinc/08/97/78/563089778.db2.gz FNHBIQMUFPWCLC-GOSISDBHSA-N -1 0 496.551 5.950 1 0 JKAFRM CCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972042 563089785 /nfs/dbraw/zinc/08/97/85/563089785.db2.gz VFIJWZGAHBZYDJ-XMMPIXPASA-N -1 0 482.690 6.957 1 0 JKAFRM C/C(=C\CC[C@H](CCCc1ccoc1)COS(=O)(=O)[O-])CC[C@@H]1C(C)=CCCC1(C)C ZINC000028973324 563089888 /nfs/dbraw/zinc/08/98/88/563089888.db2.gz MSQUWENCRGKHFA-ZBXPLHHRSA-N -1 0 452.657 6.927 1 0 JKAFRM CS[C@H](C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000029054058 563093374 /nfs/dbraw/zinc/09/33/74/563093374.db2.gz CQWJBYHLQGBKRX-OLZOCXBDSA-N -1 0 450.000 6.971 1 0 JKAFRM CCS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000029054072 563093407 /nfs/dbraw/zinc/09/34/07/563093407.db2.gz JCIZCXSQEPUPAQ-LBPRGKRZSA-N -1 0 467.971 5.341 1 0 JKAFRM CC1(CN2C(=O)S/C(=C\c3cc(Br)c([O-])c(Br)c3)C2=O)CCCCC1 ZINC000029056240 563093529 /nfs/dbraw/zinc/09/35/29/563093529.db2.gz NPEVASITUZUIKK-ZROIWOOFSA-N -1 0 489.229 5.924 1 0 JKAFRM C[C@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C(=O)[O-])[C@H](O)C[C@]21C ZINC000029060477 563093894 /nfs/dbraw/zinc/09/38/94/563093894.db2.gz RVBCCBBWGJZXNN-IIJGLNDNSA-N -1 0 456.667 6.023 1 0 JKAFRM CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)[O-] ZINC000029127282 563095604 /nfs/dbraw/zinc/09/56/04/563095604.db2.gz ZJCRQDAZZZBPKA-MSHWLJRESA-N -1 0 475.629 5.746 1 0 JKAFRM O=C([O-])[C@@H](CCCCNc1cc(Cl)cc2ncccc21)Nc1ccnc2cc(Cl)ccc21 ZINC000029212964 563098571 /nfs/dbraw/zinc/09/85/71/563098571.db2.gz AMWOGRMZRABSSF-HXUWFJFHSA-N -1 0 469.372 6.237 1 0 JKAFRM CS(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000029219868 563098741 /nfs/dbraw/zinc/09/87/41/563098741.db2.gz KGTWUPCDEFGGNF-UHFFFAOYSA-N -1 0 452.315 5.147 1 0 JKAFRM CCOc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)[O-] ZINC000029313555 563099895 /nfs/dbraw/zinc/09/98/95/563099895.db2.gz IGUNGSMXNZWMPG-KKUQBAQOSA-N -1 0 490.556 5.016 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1COc1ccc(CCCCC[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029314628 563099946 /nfs/dbraw/zinc/09/99/46/563099946.db2.gz ZKERZHHCRKBGAM-QFIPXVFZSA-N -1 0 450.560 5.684 1 0 JKAFRM CC(C)Cc1ccc([C@H](C)Oc2ccc(C(=O)N3C[C@@H](CCCC(=O)[O-])c4ccccc43)cc2)cc1 ZINC000029319848 563100169 /nfs/dbraw/zinc/10/01/69/563100169.db2.gz MGTQWDJEFUTOBO-BKMJKUGQSA-N -1 0 485.624 7.024 1 0 JKAFRM CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=CC(=O)[O-])CCCC2 ZINC000029347923 563101476 /nfs/dbraw/zinc/10/14/76/563101476.db2.gz ZFOQCPWNJMAHLB-HEHNFIMWSA-N -1 0 482.588 5.316 1 0 JKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)c1cccc(-c2ccccc2Cl)c1 ZINC000029402809 563102629 /nfs/dbraw/zinc/10/26/29/563102629.db2.gz OEHMXTMWNITFGU-MGGUNBIHSA-N -1 0 455.982 5.623 1 0 JKAFRM O=C([O-])CCn1cc(Cc2ccc(F)cc2)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000029405043 563102823 /nfs/dbraw/zinc/10/28/23/563102823.db2.gz BJRFXMWKJZXEBT-UHFFFAOYSA-N -1 0 486.952 5.300 1 0 JKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(cc3C(=O)[O-])C[C@@H](O)CC[C@@H](C)CCC[C@@]21C ZINC000029406218 563102931 /nfs/dbraw/zinc/10/29/31/563102931.db2.gz STXMFQXJBAKHCC-UKJBQUHXSA-N -1 0 456.711 7.851 1 0 JKAFRM CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)[O-])c-2cc1 ZINC000029410472 563103220 /nfs/dbraw/zinc/10/32/20/563103220.db2.gz WJYVAMIXAPXRQE-UHFFFAOYSA-N -1 0 474.022 6.421 1 0 JKAFRM O=C([O-])[C@H]1CC(=O)c2c(ccc(Cl)c2OCc2ccc(OCc3ccc4ccccc4n3)cc2)O1 ZINC000029411802 563103305 /nfs/dbraw/zinc/10/33/05/563103305.db2.gz HVZCDDWQNMUVJM-XMMPIXPASA-N -1 0 489.911 5.465 1 0 JKAFRM O=C([O-])c1ccc(-c2ccc(-c3cc4c(o3)c(Cl)ccc4Cl)[nH]2)c(Br)c1 ZINC000029465185 563104127 /nfs/dbraw/zinc/10/41/27/563104127.db2.gz PUSBMVSIQGAAOF-UHFFFAOYSA-N -1 0 451.103 6.862 1 0 JKAFRM CCCCCC[C@@H](Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000029467607 563104203 /nfs/dbraw/zinc/10/42/03/563104203.db2.gz FDGCMJHVTHCAQP-AREMUKBSSA-N -1 0 482.598 5.901 1 0 aggregator JKAFRM CCCC[C@@H](C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OC)c2c1)c1ccccc1 ZINC000029473186 563104734 /nfs/dbraw/zinc/10/47/34/563104734.db2.gz QNEWWKKVOHMAQO-RUZDIDTESA-N -1 0 470.569 6.309 1 0 JKAFRM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000029478827 563105105 /nfs/dbraw/zinc/10/51/05/563105105.db2.gz YKPSORBYCMJPSH-UHFFFAOYSA-N -1 0 450.903 5.758 1 0 JKAFRM C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(C(=O)[O-])c1 ZINC000029479835 563105180 /nfs/dbraw/zinc/10/51/80/563105180.db2.gz TUKZDRAVAURZLG-LNMSCABWSA-N -1 0 479.529 5.386 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1cc2c(cc1Cl)CC[C@@H](C(=O)[O-])O2 ZINC000029544656 563105810 /nfs/dbraw/zinc/10/58/10/563105810.db2.gz VYTHVIPQCYAOCX-QFIPXVFZSA-N -1 0 490.980 5.607 1 0 JKAFRM Cc1oc(-c2ccc3ccccc3c2)nc1CCC(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029489785 563105823 /nfs/dbraw/zinc/10/58/23/563105823.db2.gz FFLVILBRPVTHGR-DEOSSOPVSA-N -1 0 470.550 5.513 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1cc(C(=O)[O-])ccc1Cl ZINC000029546885 563105986 /nfs/dbraw/zinc/10/59/86/563105986.db2.gz KEIUJSFSEJJHAS-UHFFFAOYSA-N -1 0 490.991 7.268 1 0 JKAFRM CCCc1c(OCCCCCCc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029546603 563106001 /nfs/dbraw/zinc/10/60/01/563106001.db2.gz HJYUFKVHWYNTSO-AREMUKBSSA-N -1 0 496.600 5.710 1 0 JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000029549143 563106212 /nfs/dbraw/zinc/10/62/12/563106212.db2.gz MUCRYNWJQNHDJH-AAQHPHIFSA-N -1 0 454.695 7.298 1 0 JKAFRM CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2ccccc2C(=O)[O-])c1 ZINC000029572060 563107824 /nfs/dbraw/zinc/10/78/24/563107824.db2.gz QLNZWZKPGOTXOG-UHFFFAOYSA-N -1 0 450.487 5.496 1 0 JKAFRM Cc1c([C@@H](Cc2ccccc2N(C)C(=O)/C=C\C(=O)[O-])c2c[nH]c3ccccc32)c2ccccc2n1C ZINC000031829865 563108507 /nfs/dbraw/zinc/10/85/07/563108507.db2.gz SFGICHGJLNBELA-WIJSZAOYSA-N -1 0 491.591 5.946 1 0 JKAFRM CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C(=O)[O-])C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000033903576 563111237 /nfs/dbraw/zinc/11/12/37/563111237.db2.gz KRBPNFFLXMZLCT-VOMXGJAFSA-N -1 0 454.695 7.752 1 0 JKAFRM Cc1nc(C(=O)COc2ccc(SCCCCCc3ccccc3)cc2)sc1C(=O)[O-] ZINC000033999532 563111552 /nfs/dbraw/zinc/11/15/52/563111552.db2.gz OWCIOUOKOAIAOJ-UHFFFAOYSA-N -1 0 455.601 5.917 1 0 JKAFRM CC(=O)O[C@H]1CC/C(C)=C\CC[C@@]2(C)[C@@H](CC[C@@H]2[C@@H](C)/C=C/C(C)C)c2ccc(cc2C(=O)[O-])C1 ZINC000034172056 563112334 /nfs/dbraw/zinc/11/23/34/563112334.db2.gz ICJKVLYHBMCCNR-FWBMMOHASA-N -1 0 480.689 7.728 1 0 JKAFRM C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C)C(=O)[O-] ZINC000034212546 563112590 /nfs/dbraw/zinc/11/25/90/563112590.db2.gz MZPNVEOVZSHYMZ-NTXGJNAHSA-N -1 0 454.695 7.442 1 0 JKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1Cn1ccc2cc(C[C@@H](OC(C)C)C(=O)[O-])ccc21 ZINC000034210398 563112603 /nfs/dbraw/zinc/11/26/03/563112603.db2.gz PABWXIBCXIQVPC-HSZRJFAPSA-N -1 0 486.490 6.093 1 0 JKAFRM COc1cc(OC)cc(-c2nc(CCOc3ccc(C[C@H](OC)C(=O)[O-])c4sccc43)c(C)o2)c1 ZINC000034313754 563113181 /nfs/dbraw/zinc/11/31/81/563113181.db2.gz WAEQTAKZLFYNLE-QHCPKHFHSA-N -1 0 497.569 5.146 1 0 JKAFRM CCCCCCC(C)(C)c1cc(O)c([C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)c(OC(=O)/C=C/C(=O)[O-])c1 ZINC000034377258 563113375 /nfs/dbraw/zinc/11/33/75/563113375.db2.gz GSTZHANFXAKPSE-MXTREEOPSA-N -1 0 470.606 5.905 1 0 investigational JKAFRM CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1)C(=O)[O-] ZINC000034393524 563113562 /nfs/dbraw/zinc/11/35/62/563113562.db2.gz AWMUDSVYMAZNQC-SFHVURJKSA-N -1 0 451.494 5.210 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc(CC(=O)[O-])cc1Cl ZINC000034717667 563114707 /nfs/dbraw/zinc/11/47/07/563114707.db2.gz FAYRZYDHLUVKKC-UHFFFAOYSA-N -1 0 471.859 5.928 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(C)c1ccc(CC(=O)[O-])cc1 ZINC000034717660 563114710 /nfs/dbraw/zinc/11/47/10/563114710.db2.gz FAQHMFAPRWBDDB-UHFFFAOYSA-N -1 0 450.457 5.332 1 0 JKAFRM CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)c1)C(=O)[O-] ZINC000034717687 563114715 /nfs/dbraw/zinc/11/47/15/563114715.db2.gz FVPCEABQEUPZJE-VWLOTQADSA-N -1 0 460.574 5.983 1 0 JKAFRM CCCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)[O-] ZINC000034717672 563114718 /nfs/dbraw/zinc/11/47/18/563114718.db2.gz SNELYVVCHDOVFP-QHCPKHFHSA-N -1 0 486.490 6.094 1 0 JKAFRM CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3cc(Cl)cc(Cl)c3)oc2C)c1)C(=O)[O-] ZINC000034717692 563114720 /nfs/dbraw/zinc/11/47/20/563114720.db2.gz RQMKNZHMAWCBJL-JOCHJYFZSA-N -1 0 473.356 5.992 1 0 JKAFRM CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(=O)[O-] ZINC000034717704 563114779 /nfs/dbraw/zinc/11/47/79/563114779.db2.gz CIPGEDLLCCHFDI-LJQANCHMSA-N -1 0 468.977 6.948 1 0 JKAFRM CCO[C@H](Cc1ccc2c(c1)c(C)cn2Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(=O)[O-] ZINC000034717696 563114795 /nfs/dbraw/zinc/11/47/95/563114795.db2.gz KWGGIRZLUSNBCK-HSZRJFAPSA-N -1 0 486.490 6.012 1 0 JKAFRM CCc1ccc(O[C@H](C)CCOc2ccc(OC(C)(C)C(=O)[O-])cc2)c(C(=O)c2ccccc2)c1 ZINC000034717706 563114797 /nfs/dbraw/zinc/11/47/97/563114797.db2.gz ILHLGCBMPLPUEJ-HXUWFJFHSA-N -1 0 476.569 5.958 1 0 JKAFRM CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)[O-])cn3)c(C)c2)cc1C)CC ZINC000034777626 563114975 /nfs/dbraw/zinc/11/49/75/563114975.db2.gz YIOKSKHMISRYIK-ISLYRVAYSA-N -1 0 499.695 7.663 1 0 JKAFRM C[C@@H](Nc1ncc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3F)cs2)cc1Cl)C(=O)[O-] ZINC000034803098 563116335 /nfs/dbraw/zinc/11/63/35/563116335.db2.gz CKUZRSZSEGTVJO-MRVPVSSYSA-N -1 0 488.850 5.154 1 0 JKAFRM Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000034894214 563117489 /nfs/dbraw/zinc/11/74/89/563117489.db2.gz GZTLJDMYNSOBKK-RRPNLBNLSA-N -1 0 472.581 6.153 1 0 JKAFRM CCCCOc1ccc(C(=O)c2c([O-])n(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000035017487 563118357 /nfs/dbraw/zinc/11/83/57/563118357.db2.gz WYKMKGAQPIBZPA-UHFFFAOYSA-N -1 0 497.378 6.051 1 0 JKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccc(-c4ccccc4)cc3)c2c1 ZINC000035079412 563118865 /nfs/dbraw/zinc/11/88/65/563118865.db2.gz VQSBNQAUJQELNJ-KRWDZBQOSA-N -1 0 489.980 6.540 1 0 JKAFRM CO[P@](=O)([O-])[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035259322 563119585 /nfs/dbraw/zinc/11/95/85/563119585.db2.gz UKRQPOMXBLTMFV-INIZCTEOSA-N -1 0 474.060 5.753 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)C)C(=O)[O-])c(C)c1 ZINC000035850518 563120732 /nfs/dbraw/zinc/12/07/32/563120732.db2.gz YCAVDJDBHPHXEP-QHCPKHFHSA-N -1 0 475.589 6.028 1 0 JKAFRM CCCC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000035850239 563120739 /nfs/dbraw/zinc/12/07/39/563120739.db2.gz XPIDIBFCJYTFNR-QFIPXVFZSA-N -1 0 461.562 5.782 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000035921392 563121193 /nfs/dbraw/zinc/12/11/93/563121193.db2.gz XGDKLKWSGQTMTH-QHCPKHFHSA-N -1 0 461.562 5.638 1 0 JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000036088474 563121913 /nfs/dbraw/zinc/12/19/13/563121913.db2.gz QGOSJBZFTWGWDU-OUECCVFQSA-N -1 0 456.711 7.234 1 0 in-vivo JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000036088477 563121930 /nfs/dbraw/zinc/12/19/30/563121930.db2.gz DQHMTWAVBRLUSK-FLYBRSFCSA-N -1 0 454.695 7.442 1 0 in-vivo JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@H]2CC[C@@H](O)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036160003 563122946 /nfs/dbraw/zinc/12/29/46/563122946.db2.gz SDEZJSYVFCHZOB-CLJLJLNGSA-N -1 0 487.596 5.485 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC000036176339 563123280 /nfs/dbraw/zinc/12/32/80/563123280.db2.gz GKORLDUEXWMZDW-SNRMKQJTSA-N -1 0 492.468 6.695 1 0 JKAFRM CC(C)C(=O)N(Cc1ccc(Cl)cc1)c1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1 ZINC000036184789 563123798 /nfs/dbraw/zinc/12/37/98/563123798.db2.gz DQYJAPNSBTXRKC-UHFFFAOYSA-N -1 0 460.827 5.298 1 0 JKAFRM O=C([O-])C[C@@H]1CCCc2c3cccc([S@](=O)c4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190352 563124214 /nfs/dbraw/zinc/12/42/14/563124214.db2.gz WRMLVALLVQNILX-FPYOTAMTSA-N -1 0 478.013 6.404 1 0 JKAFRM O=C([O-])C[C@@H]1CCCc2c3cccc([S@@](=O)c4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190354 563124250 /nfs/dbraw/zinc/12/42/50/563124250.db2.gz WRMLVALLVQNILX-DUTUXMCTSA-N -1 0 478.013 6.404 1 0 JKAFRM CCCCc1ncc(/C=C(\Cc2ccc(OC)c(OC)c2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000036222448 563124489 /nfs/dbraw/zinc/12/44/89/563124489.db2.gz MNGJIGCQEBFWQQ-HMMYKYKNSA-N -1 0 468.981 5.655 1 0 JKAFRM CCCCc1ncc(/C=C(\Cc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000036222432 563124505 /nfs/dbraw/zinc/12/45/05/563124505.db2.gz PCWXTOPRDMTJPG-HMMYKYKNSA-N -1 0 499.007 5.664 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H]2c3ccccc3[C@@](O)(CC)[C@@H]2C(=O)[O-])cc1 ZINC000036222510 563124611 /nfs/dbraw/zinc/12/46/11/563124611.db2.gz KQLCNYCBMYJXMJ-YIIWZEITSA-N -1 0 483.612 5.493 1 0 JKAFRM COc1cc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)oc2c(-c2cccc(O)c2)c1 ZINC000036241898 563124719 /nfs/dbraw/zinc/12/47/19/563124719.db2.gz VWDORUMWSDVIEQ-UHFFFAOYSA-N -1 0 465.314 5.317 1 0 JKAFRM CSc1ccccc1OC(C)(C)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1 ZINC000036242312 563124829 /nfs/dbraw/zinc/12/48/29/563124829.db2.gz XXPWPQBCBTVEOV-FYFQDWPSSA-N -1 0 457.592 5.502 1 0 JKAFRM CC(C)(Oc1ccccc1Br)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1 ZINC000036242404 563124846 /nfs/dbraw/zinc/12/48/46/563124846.db2.gz IGXUIKDHBUUKLY-BIQUQMBWSA-N -1 0 490.394 5.543 1 0 JKAFRM CC(C)(Oc1ccc(Br)cc1)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1 ZINC000036242483 563124887 /nfs/dbraw/zinc/12/48/87/563124887.db2.gz HCFZUTSDEMKXQB-BIQUQMBWSA-N -1 0 490.394 5.543 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2N(CCc2ccccc2)CC1 ZINC000036350474 563126789 /nfs/dbraw/zinc/12/67/89/563126789.db2.gz ZOMRLSNQMLWWTC-UHFFFAOYSA-N -1 0 464.609 7.117 1 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036387328 563129143 /nfs/dbraw/zinc/12/91/43/563129143.db2.gz WLMHYXUQLISOLV-DQEYMECFSA-N -1 0 482.001 5.845 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000036387297 563129149 /nfs/dbraw/zinc/12/91/49/563129149.db2.gz CQNXINIGWQPRMD-ZEQRLZLVSA-N -1 0 467.974 5.536 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000036387298 563129159 /nfs/dbraw/zinc/12/91/59/563129159.db2.gz DPVZOGBWZIKGSM-ZEQRLZLVSA-N -1 0 467.974 5.536 3 0 JKAFRM CCc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387321 563129172 /nfs/dbraw/zinc/12/91/72/563129172.db2.gz JISCXURYGLVIFN-UIOOFZCWSA-N -1 0 496.028 6.099 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387340 563129236 /nfs/dbraw/zinc/12/92/36/563129236.db2.gz SICOOIUPSSJWPJ-UNMCSNQZSA-N -1 0 457.548 5.084 3 0 JKAFRM CCc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387349 563129256 /nfs/dbraw/zinc/12/92/56/563129256.db2.gz ACJOQJGTZBPCMX-UIOOFZCWSA-N -1 0 496.028 6.099 3 0 JKAFRM COc1cccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387345 563129257 /nfs/dbraw/zinc/12/92/57/563129257.db2.gz XBVRAFIQTFZVMY-DQEYMECFSA-N -1 0 481.545 5.031 3 0 JKAFRM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3[N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000038149566 563131990 /nfs/dbraw/zinc/13/19/90/563131990.db2.gz BFUHRLBXRMHVOC-UHFFFAOYSA-N -1 0 485.609 6.099 1 0 JKAFRM COc1cc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)oc2c(-c2ccc(OC)nc2)c1 ZINC000038233025 563133499 /nfs/dbraw/zinc/13/34/99/563133499.db2.gz KOKQLKWXOFRTHE-UHFFFAOYSA-N -1 0 480.329 5.015 1 0 in-vivo JKAFRM CC(=O)O[C@H]1CC[C@]2(C)C3=CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000038264623 563133658 /nfs/dbraw/zinc/13/36/58/563133658.db2.gz RTRRYALPPBEUEY-GORNMXTHSA-N -1 0 496.732 7.725 1 0 JKAFRM C[C@@H](c1ccc(Cl)c(Cl)c1)n1c2c(cc(F)cc2S(C)(=O)=O)c2c1[C@@H](CC(=O)[O-])CCC2 ZINC000038324054 563133861 /nfs/dbraw/zinc/13/38/61/563133861.db2.gz RISLJJMLXCMMAD-GXTWGEPZSA-N -1 0 498.403 5.995 1 0 JKAFRM Cc1cc(CNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)[O-] ZINC000038323523 563133878 /nfs/dbraw/zinc/13/38/78/563133878.db2.gz SMURNEUIYATOSV-UHFFFAOYSA-N -1 0 483.568 5.235 1 0 JKAFRM Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)[O-])cc2)c1 ZINC000038347968 563133945 /nfs/dbraw/zinc/13/39/45/563133945.db2.gz LQOMYZIIIPFSQJ-UHFFFAOYSA-N -1 0 466.577 7.146 1 0 JKAFRM CO[C@H]1C=C(CCC[C@@H](CC[C@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)COS(=O)(=O)[O-])C(=O)O1 ZINC000038432887 563134476 /nfs/dbraw/zinc/13/44/76/563134476.db2.gz UZYGEULXQQDPRZ-OZDAZPAKSA-N -1 0 498.682 5.627 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000038515408 563134959 /nfs/dbraw/zinc/13/49/59/563134959.db2.gz ODPNDPZKFUBRFF-QATJIBKASA-N -1 0 472.710 6.204 1 0 JKAFRM CC1(C)C(=O)CC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@](C)(CC[C@@]5(C)CC[C@@](C)(C(=O)[O-])C[C@]54O)C3=CC[C@@H]12 ZINC000038515912 563134969 /nfs/dbraw/zinc/13/49/69/563134969.db2.gz ZOJYWIDATCZFTE-GLLUEPBVSA-N -1 0 486.693 5.528 1 0 JKAFRM C[C@H]1C(=O)C=C([O-])[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038734220 563135315 /nfs/dbraw/zinc/13/53/15/563135315.db2.gz XTCGSNZDWBNNPC-WIXRYLSGSA-N -1 0 456.711 6.608 1 0 JKAFRM CO[C@@H]1C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]12 ZINC000039183622 563136305 /nfs/dbraw/zinc/13/63/05/563136305.db2.gz DIOPDEKYKOCQAQ-SPQCNPLJSA-N -1 0 484.721 7.067 1 0 JKAFRM C[C@H](CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000040395654 563139286 /nfs/dbraw/zinc/13/92/86/563139286.db2.gz MSMIBGMKDUWCSX-HZAMRZAGSA-N -1 0 470.694 6.579 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nnn(-c3ccccc3)c2C(=O)[O-])c1 ZINC000040402228 563139573 /nfs/dbraw/zinc/13/95/73/563139573.db2.gz NXZRQEGUJLDAQG-UHFFFAOYSA-N -1 0 480.524 5.141 1 0 JKAFRM COc1ccccc1-c1nc(CCOc2ccc(C[C@H](OC)C(=O)[O-])c3sccc32)c(C)o1 ZINC000040411389 563140759 /nfs/dbraw/zinc/14/07/59/563140759.db2.gz FTOIHKCLBGVEEC-QFIPXVFZSA-N -1 0 467.543 5.137 1 0 JKAFRM CCCCc1nc2cc(S(=O)(=O)NCC)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000040414237 563141285 /nfs/dbraw/zinc/14/12/85/563141285.db2.gz CXVYUQFMHJTBDM-UHFFFAOYSA-N -1 0 491.613 5.091 1 0 JKAFRM CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C(=O)[O-])o1 ZINC000040422573 563141873 /nfs/dbraw/zinc/14/18/73/563141873.db2.gz YXQLDYYPIQCHSS-UHFFFAOYSA-N -1 0 491.762 6.545 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000040430980 563143751 /nfs/dbraw/zinc/14/37/51/563143751.db2.gz TUOYZAJHBIXONX-CGSJAQJOSA-N -1 0 488.709 5.177 1 0 in-vivo JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000040475163 563144380 /nfs/dbraw/zinc/14/43/80/563144380.db2.gz YAERKPJXSZHFQI-BXDKPDDESA-N -1 0 471.726 7.639 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000040475046 563144413 /nfs/dbraw/zinc/14/44/13/563144413.db2.gz OUAPNSVTUJNUMW-UXEXATSUSA-N -1 0 456.711 7.378 1 0 JKAFRM O=S(=O)(c1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)[n-]1)C(F)(F)C(F)F ZINC000040505377 563144885 /nfs/dbraw/zinc/14/48/85/563144885.db2.gz FKCHGMOCVYQWSS-UHFFFAOYSA-N -1 0 453.244 5.682 1 0 JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000040564764 563145392 /nfs/dbraw/zinc/14/53/92/563145392.db2.gz HQGWITLOHQUPBL-QZNVJFJLSA-N -1 0 472.710 6.206 1 0 in-vivo JKAFRM O=C(c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1ccccc1Cl ZINC000040575311 563146323 /nfs/dbraw/zinc/14/63/23/563146323.db2.gz CHGRMWPSMVCXHO-UHFFFAOYSA-N -1 0 459.716 5.525 1 0 JKAFRM C[C@@]1(c2cccc(O)c2)c2cc(C(=O)[O-])sc2C(=O)c2c1c1ccccc1n2Cc1ccccc1 ZINC000040641221 563147297 /nfs/dbraw/zinc/14/72/97/563147297.db2.gz VDKZSRZBOJSYEX-GDLZYMKVSA-N -1 0 479.557 6.054 1 0 JKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000040764211 563148180 /nfs/dbraw/zinc/14/81/80/563148180.db2.gz YSPIXBPWQQAKRS-UHFFFAOYSA-N -1 0 457.368 5.577 1 0 JKAFRM Cc1cccc(Cl)c1NC(=O)Nc1cc(F)c(F)cc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040861606 563150173 /nfs/dbraw/zinc/15/01/73/563150173.db2.gz SGTPMJVHBKQGNG-FQEVSTJZSA-N -1 0 479.911 5.334 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)C[C@H](O)[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1 ZINC000040881230 563152979 /nfs/dbraw/zinc/15/29/79/563152979.db2.gz PTTFHQORYSALOR-MHEWLRKISA-N -1 0 472.710 6.204 1 0 JKAFRM CC(C)Cc1cc(COc2ccc(N3CCCN([C@H](C)C(=O)[O-])C3=O)cc2)c2ccccc2n1 ZINC000040891769 563153180 /nfs/dbraw/zinc/15/31/80/563153180.db2.gz QZQZBZSMHYPQIA-LJQANCHMSA-N -1 0 461.562 5.118 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2c(C(=O)[O-])cnn2-c2ccccc2)cc1 ZINC000040899525 563154526 /nfs/dbraw/zinc/15/45/26/563154526.db2.gz GISXEQXUEHYKIK-UHFFFAOYSA-N -1 0 479.536 5.746 1 0 JKAFRM C[C@@H](Cc1ccc(OCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040900188 563154591 /nfs/dbraw/zinc/15/45/91/563154591.db2.gz IWJBNZQFLXQWHA-QHCPKHFHSA-N -1 0 489.612 5.041 1 0 JKAFRM C/C(=C/CCC(=O)Nc1ccc(-c2ccc(OCC(=O)[O-])cc2)cc1Cl)c1ccc(C)cc1Cl ZINC000040913356 563154923 /nfs/dbraw/zinc/15/49/23/563154923.db2.gz JGEXIGKIMXNLEM-LMXLVEHLSA-N -1 0 498.406 7.254 1 0 JKAFRM CCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000040915151 563155397 /nfs/dbraw/zinc/15/53/97/563155397.db2.gz DVLYGIYYRPEEQN-DEOSSOPVSA-N -1 0 483.584 5.802 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C)c1 ZINC000040916866 563155729 /nfs/dbraw/zinc/15/57/29/563155729.db2.gz XBFMTTUCRNKMFV-QHCPKHFHSA-N -1 0 489.616 6.418 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5C[C@](C)(C(=O)[O-])C[C@@H](O)[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000040943692 563159125 /nfs/dbraw/zinc/15/91/25/563159125.db2.gz JTBGJQZJEYVBJZ-GDGRUTHZSA-N -1 0 472.710 6.204 1 0 JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000040950680 563159473 /nfs/dbraw/zinc/15/94/73/563159473.db2.gz JZFSMVXQUWRSIW-MCLQAGPZSA-N -1 0 456.711 7.234 1 0 endogenous,in-man JKAFRM CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)[O-])ccc32)ccc2cc(C(C)=O)ccc21 ZINC000040951694 563159735 /nfs/dbraw/zinc/15/97/35/563159735.db2.gz SWQBIHVDQPNCHW-UHFFFAOYSA-N -1 0 487.596 6.661 1 0 JKAFRM CC(C)=CCc1c([O-])c(CC=C(C)C)c2c(c1O)C(=O)c1c(O)cc(C)c(CC=C(C)C)c1[C@@H]2O ZINC000040952062 563159845 /nfs/dbraw/zinc/15/98/45/563159845.db2.gz HAPSTBPDRQRBSO-LJAQVGFWSA-N -1 0 476.613 6.264 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043012141 563164208 /nfs/dbraw/zinc/16/42/08/563164208.db2.gz HKBZWCBLPWFHTQ-UHFFFAOYSA-N -1 0 483.039 7.146 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1-c1nc2ccccc2s1 ZINC000043014022 563164311 /nfs/dbraw/zinc/16/43/11/563164311.db2.gz RFFORRCYROKEAJ-UHFFFAOYSA-N -1 0 462.621 6.801 1 0 JKAFRM CCCC[C@H](Sc1ccc(OCCCOc2ccc(Cl)c(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000043022408 563165122 /nfs/dbraw/zinc/16/51/22/563165122.db2.gz ASHJFOIBKHRPEA-FQEVSTJZSA-N -1 0 476.944 6.942 1 0 JKAFRM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2sccc2-c2nc3ccccc3s2)cc1 ZINC000043024771 563165460 /nfs/dbraw/zinc/16/54/60/563165460.db2.gz VGNNIFNQPBNSMB-UHFFFAOYSA-N -1 0 494.619 6.627 1 0 JKAFRM CCCC[C@H](Sc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000043068993 563166166 /nfs/dbraw/zinc/16/61/66/563166166.db2.gz PMSKZXYPUKICSQ-SANMLTNESA-N -1 0 450.600 6.937 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1-c1nc2ccccc2s1 ZINC000043070948 563166314 /nfs/dbraw/zinc/16/63/14/563166314.db2.gz RQYYRYZORLVVCC-UHFFFAOYSA-N -1 0 489.858 7.094 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1-c1nc2ccccc2s1 ZINC000043079619 563166994 /nfs/dbraw/zinc/16/69/94/563166994.db2.gz RYSHOMPWPYMHCD-UHFFFAOYSA-N -1 0 454.520 6.153 1 0 JKAFRM COc1ccc([C@H](c2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)c2ccccn2)cc1 ZINC000043101535 563167216 /nfs/dbraw/zinc/16/72/16/563167216.db2.gz VQLQSPXLCMPBHR-QFIPXVFZSA-N -1 0 450.947 5.674 1 0 JKAFRM CSc1ccc(Cc2nc3cc(C(=O)[O-])ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043120055 563167351 /nfs/dbraw/zinc/16/73/51/563167351.db2.gz KSQGJFUIOCHWNG-UHFFFAOYSA-N -1 0 456.489 6.114 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(-c2cncs2)cc1 ZINC000043120446 563167473 /nfs/dbraw/zinc/16/74/73/563167473.db2.gz JKYJCEPQVIPCBQ-UHFFFAOYSA-N -1 0 455.611 5.949 1 0 JKAFRM CC(=O)c1ccc(OCc2ccc3nsnc3c2)cc1O[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000043151221 563167926 /nfs/dbraw/zinc/16/79/26/563167926.db2.gz OBOOWVLIZKMMIV-QHCPKHFHSA-N -1 0 462.527 5.458 1 0 JKAFRM Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)[O-])c3nccn3C)cc2)c1 ZINC000043150990 563167936 /nfs/dbraw/zinc/16/79/36/563167936.db2.gz GFFXCPIMXLSUGF-VWLOTQADSA-N -1 0 460.961 6.235 1 0 JKAFRM Cc1ccnc(NCc2coc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)c2)c1 ZINC000043176805 563168238 /nfs/dbraw/zinc/16/82/38/563168238.db2.gz XBZCXNWBZFZRPR-VWLOTQADSA-N -1 0 497.595 5.613 1 0 JKAFRM C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(-c3ccccc3)cc1)CC2)c1ccc(C(=O)[O-])cc1 ZINC000043178385 563168250 /nfs/dbraw/zinc/16/82/50/563168250.db2.gz RGSCLDCNFKGSGO-NRFANRHFSA-N -1 0 476.576 6.106 1 0 JKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(NC(=O)c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000043204655 563168657 /nfs/dbraw/zinc/16/86/57/563168657.db2.gz QUUNDKJSGFUQKY-HSZRJFAPSA-N -1 0 491.456 7.117 1 0 JKAFRM O=C(NC1CCCCCC1)[C@@H]1CCCN1C(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045168460 563173720 /nfs/dbraw/zinc/17/37/20/563173720.db2.gz DFVDSXCSAJHSSD-QFIPXVFZSA-N -1 0 475.416 5.810 1 0 JKAFRM O=C(Nc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000045194076 563176860 /nfs/dbraw/zinc/17/68/60/563176860.db2.gz OIQLCHIWCHEOSN-UHFFFAOYSA-N -1 0 462.534 6.052 1 0 JKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(/C=C/C[C@@H](C)CCCC(C)C)O2 ZINC000045260257 563183110 /nfs/dbraw/zinc/18/31/10/563183110.db2.gz CDPVWGKXIIQQBP-HCBTWXQISA-N -1 0 458.639 6.874 1 0 JKAFRM Cc1cc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])cnc1N ZINC000045347178 563191347 /nfs/dbraw/zinc/19/13/47/563191347.db2.gz PCTOWFWGKDMSLV-UHFFFAOYSA-N -1 0 451.498 5.181 1 0 JKAFRM Cc1cccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])c1 ZINC000045355523 563192297 /nfs/dbraw/zinc/19/22/97/563192297.db2.gz KOSVUBTZPMOYMW-MHZLTWQESA-N -1 0 459.586 6.108 1 0 JKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])c1 ZINC000045356762 563192511 /nfs/dbraw/zinc/19/25/11/563192511.db2.gz ALKDPZDQOKEMAM-NDEPHWFRSA-N -1 0 473.613 6.417 1 0 JKAFRM COc1ccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1C ZINC000045357986 563192702 /nfs/dbraw/zinc/19/27/02/563192702.db2.gz YZYXNEKGJISLEM-MHZLTWQESA-N -1 0 489.612 6.117 1 0 JKAFRM O=C([O-])Cc1sc([C@H](c2ccccc2)c2cccc(Cl)n2)nc1-c1ccc(Cl)cc1 ZINC000045364991 563192892 /nfs/dbraw/zinc/19/28/92/563192892.db2.gz HGXFUGPKXLCJOZ-OAQYLSRUSA-N -1 0 455.366 6.319 1 0 JKAFRM CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000045365799 563193075 /nfs/dbraw/zinc/19/30/75/563193075.db2.gz NAWJPGRPQOYISL-OALUTQOASA-N -1 0 451.544 5.575 1 0 JKAFRM O=C([O-])C[C@@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2cc(Cl)ccc21 ZINC000045370236 563193693 /nfs/dbraw/zinc/19/36/93/563193693.db2.gz IQFLDKBWKHEUQY-CYYXOFGOSA-N -1 0 457.014 5.170 1 0 JKAFRM O=C([O-])Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000045372574 563193837 /nfs/dbraw/zinc/19/38/37/563193837.db2.gz KWLSRKASVDOURW-UHFFFAOYSA-N -1 0 453.485 6.636 1 0 JKAFRM COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1 ZINC000045371811 563193857 /nfs/dbraw/zinc/19/38/57/563193857.db2.gz BMOHLTABKALFMV-HHHXNRCGSA-N -1 0 475.585 5.809 1 0 JKAFRM CC(C)OC(=O)c1c(-c2cccc(-c3ccccc3)c2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000045372579 563193864 /nfs/dbraw/zinc/19/38/64/563193864.db2.gz CNBXQHBCTHXZJM-UHFFFAOYSA-N -1 0 485.561 6.598 1 0 JKAFRM O=C([O-])C[C@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2c1cccc2Cl ZINC000045372674 563193922 /nfs/dbraw/zinc/19/39/22/563193922.db2.gz GTRLLSQFXNMEFO-DPQZDQFZSA-N -1 0 457.014 5.170 1 0 JKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccccc3)cc12 ZINC000045372760 563193945 /nfs/dbraw/zinc/19/39/45/563193945.db2.gz HOWMTYZTQKZIEQ-UHFFFAOYSA-N -1 0 488.587 6.602 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccccc1F ZINC000045374543 563194099 /nfs/dbraw/zinc/19/40/99/563194099.db2.gz ZUASJMLJMPWKTC-AREMUKBSSA-N -1 0 463.549 5.939 1 0 JKAFRM O=C([O-])C[C@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2ccc(Cl)cc21 ZINC000045374909 563194223 /nfs/dbraw/zinc/19/42/23/563194223.db2.gz CIBXWQVHSMWQOJ-DPQZDQFZSA-N -1 0 457.014 5.170 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n(CC(=O)NCC1CCCCC1)c(-c1ccoc1)c2C1CCCCC1 ZINC000045384438 563194312 /nfs/dbraw/zinc/19/43/12/563194312.db2.gz ORTZWDGPFUIFTD-UHFFFAOYSA-N -1 0 462.590 6.344 1 0 JKAFRM COc1cccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])c1 ZINC000045386884 563194538 /nfs/dbraw/zinc/19/45/38/563194538.db2.gz HQKJWIPMGGAVGS-MHZLTWQESA-N -1 0 475.585 5.809 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000045386537 563194558 /nfs/dbraw/zinc/19/45/58/563194558.db2.gz AXCOTJZGNGEVSS-FCHUYYIVSA-N -1 0 491.609 6.477 1 0 JKAFRM Cc1ccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1F ZINC000045389235 563194915 /nfs/dbraw/zinc/19/49/15/563194915.db2.gz OWFLBMKLSVEXQW-HHHXNRCGSA-N -1 0 477.576 6.248 1 0 JKAFRM Cc1cc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])ccc1F ZINC000045391018 563195110 /nfs/dbraw/zinc/19/51/10/563195110.db2.gz PFPFPRXUFLKLGR-MHZLTWQESA-N -1 0 477.576 6.248 1 0 JKAFRM Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(-c4ccccc4)cc3)o2)ccc1OCC(=O)[O-] ZINC000049031578 563197840 /nfs/dbraw/zinc/19/78/40/563197840.db2.gz JJRIABUJBAYSFI-UHFFFAOYSA-N -1 0 492.531 6.421 1 0 JKAFRM CCCCOc1ccc(-c2ccc(C(=O)[O-])o2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049032045 563197950 /nfs/dbraw/zinc/19/79/50/563197950.db2.gz BHQYVWUDUZACCC-UHFFFAOYSA-N -1 0 479.426 5.912 1 0 JKAFRM C[C@H]1C[C@@H](N(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049032656 563198026 /nfs/dbraw/zinc/19/80/26/563198026.db2.gz PDRXBJRVQAFAFO-RBTNQOKQSA-N -1 0 490.559 6.212 1 0 JKAFRM C[C@H]1C[C@H](N(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049032652 563198040 /nfs/dbraw/zinc/19/80/40/563198040.db2.gz PDRXBJRVQAFAFO-KMRXNPHXSA-N -1 0 490.559 6.212 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C[C@@H](O)C[C@]43C)[C@@H]2C1 ZINC000049033775 563198276 /nfs/dbraw/zinc/19/82/76/563198276.db2.gz UODITNOILLXLOO-VGWDZYRESA-N -1 0 456.711 7.234 1 0 in-vivo JKAFRM COc1ccc(-c2nc(CSc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(OC)cc2)cc1 ZINC000049034220 563198344 /nfs/dbraw/zinc/19/83/44/563198344.db2.gz QKZMYSSJOLTSHS-UHFFFAOYSA-N -1 0 491.565 6.090 1 0 JKAFRM COc1ccc(CN(CC(=O)Nc2ccc(C)cc2C)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)cc1 ZINC000049037044 563199088 /nfs/dbraw/zinc/19/90/88/563199088.db2.gz FKRNCCUIXAQJMV-UHFFFAOYSA-N -1 0 490.600 5.195 1 0 JKAFRM C[C@H](NC(=O)c1cc(F)cc2ccn(Cc3cccc(Cl)c3)c21)c1ccc(C(=O)[O-])cc1 ZINC000049037505 563199161 /nfs/dbraw/zinc/19/91/61/563199161.db2.gz UCTQPNSFBJKPRX-HNNXBMFYSA-N -1 0 450.897 5.671 1 0 JKAFRM O=C([O-])C1=C(NC(=O)CCc2ccc3cc(O)ccc3c2)CC[C@H](c2ccc(C(F)(F)F)nc2)C1 ZINC000049047315 563199508 /nfs/dbraw/zinc/19/95/08/563199508.db2.gz RRXLYHOECPJXGO-SFHVURJKSA-N -1 0 484.474 5.314 1 0 JKAFRM Cc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000049049651 563199842 /nfs/dbraw/zinc/19/98/42/563199842.db2.gz CGRGAPDFXXSASA-UHFFFAOYSA-N -1 0 460.574 5.186 1 0 JKAFRM C/C(=C/[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000049088169 563201653 /nfs/dbraw/zinc/20/16/53/563201653.db2.gz BHPUPTSWPKUFML-SEDOIBLRSA-N -1 0 470.694 6.291 1 0 JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049090046 563202119 /nfs/dbraw/zinc/20/21/19/563202119.db2.gz HQGWITLOHQUPBL-HJKSOPQOSA-N -1 0 472.710 6.206 1 0 JKAFRM CCCOC(=O)N(CC(=O)[O-])Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1 ZINC000049112578 563202470 /nfs/dbraw/zinc/20/24/70/563202470.db2.gz GAVIDKXVNZRKJH-UHFFFAOYSA-N -1 0 472.925 5.316 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2c(C(=O)[O-])nnn2-c2ccccc2)cc1 ZINC000049567348 563203000 /nfs/dbraw/zinc/20/30/00/563203000.db2.gz GQIGVMJKZYQSSU-UHFFFAOYSA-N -1 0 480.524 5.141 1 0 JKAFRM CCCSC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000049599961 563203049 /nfs/dbraw/zinc/20/30/49/563203049.db2.gz QMQKORXGUFPRCD-UHFFFAOYSA-N -1 0 466.584 5.387 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](C[C@H]1C=NC(C(c3ccccc3)c3ccccc3)=N1)C2 ZINC000049583198 563203059 /nfs/dbraw/zinc/20/30/59/563203059.db2.gz GFVOZAMRAFUEHJ-RDPSFJRHSA-N -1 0 452.554 5.329 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](CC1=NC(C(c3ccccc3)c3ccccc3)=NC1)C2 ZINC000049605975 563203094 /nfs/dbraw/zinc/20/30/94/563203094.db2.gz VVGYRKAOEFOGFR-FQEVSTJZSA-N -1 0 452.554 5.330 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000049888620 563204663 /nfs/dbraw/zinc/20/46/63/563204663.db2.gz QVZSFHJAGXKMMQ-DEOSSOPVSA-N -1 0 465.549 6.898 1 0 in-vivo JKAFRM CCCCCC[C@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)[O-] ZINC000053229248 563205271 /nfs/dbraw/zinc/20/52/71/563205271.db2.gz CTKVVCDWNBLQHQ-DEOSSOPVSA-N -1 0 494.657 6.235 1 0 JKAFRM CCCC[C@H](Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(=O)[O-] ZINC000053297713 563205739 /nfs/dbraw/zinc/20/57/39/563205739.db2.gz JIQMZCWTMHNZTD-QFIPXVFZSA-N -1 0 478.699 6.911 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](C[C@@H]4O[C@@]45[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4CC[C@]53C)[C@H]2C1 ZINC000058532929 563206904 /nfs/dbraw/zinc/20/69/04/563206904.db2.gz OLTNLTKMLUQZFO-KBAUKJOYSA-N -1 0 468.678 6.429 1 0 JKAFRM O=C([O-])c1c(-c2ccc3[nH]ccc3c2)sc2c(C3CC3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000058538256 563207027 /nfs/dbraw/zinc/20/70/27/563207027.db2.gz HCEJLJZNWAUHGS-UHFFFAOYSA-N -1 0 490.584 6.829 1 0 JKAFRM O=C([O-])c1c(C(=O)Nc2ccccc2)sc2c(C3CC3)c(Cc3cccc4ccccc43)cc(=O)n12 ZINC000058541695 563207196 /nfs/dbraw/zinc/20/71/96/563207196.db2.gz UEAFFNFTOKKPIO-UHFFFAOYSA-N -1 0 494.572 5.933 1 0 JKAFRM CCCc1nc2cc(C(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000058569432 563207533 /nfs/dbraw/zinc/20/75/33/563207533.db2.gz DEFGFQYESAFJPD-UHFFFAOYSA-N -1 0 474.560 6.633 1 0 JKAFRM Cc1cc2c(cc1F)n(Cc1cc3ccccc3nc1Cl)c(C(=O)[O-])c2-c1ccc[nH]c1=O ZINC000059150317 563208889 /nfs/dbraw/zinc/20/88/89/563208889.db2.gz UZVPIJMLVISXHS-UHFFFAOYSA-N -1 0 461.880 5.392 1 0 in-vitro JKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(CCc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059275252 563208980 /nfs/dbraw/zinc/20/89/80/563208980.db2.gz AWWDAXZIFRBWCT-VWLOTQADSA-N -1 0 476.485 7.650 1 0 JKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(/C=C/c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059297553 563209016 /nfs/dbraw/zinc/20/90/16/563209016.db2.gz PFBOFGVKQVDOTL-MQRYDUTKSA-N -1 0 474.469 8.035 1 0 JKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCC(C(F)(F)F)CC2)c1 ZINC000059278756 563209034 /nfs/dbraw/zinc/20/90/34/563209034.db2.gz MJUSJIQNRAEFTH-JOCHJYFZSA-N -1 0 487.484 7.365 1 0 JKAFRM Cc1cc(OC[C@@H]2Cc3ccccc3O2)cc(C)c1C(=O)Nc1cc(CC(=O)[O-])ccc1Cl ZINC000059649002 563209170 /nfs/dbraw/zinc/20/91/70/563209170.db2.gz KYIOSDHREIOMNK-FQEVSTJZSA-N -1 0 465.933 5.219 1 0 JKAFRM C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000095910141 569729458 /nfs/dbraw/zinc/72/94/58/569729458.db2.gz HGNBFRRLBCNAAD-MVSJFEFDSA-N -1 0 454.695 7.608 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@@]4(C)CC[C@@H]5C(C)(C)[C@@H](O)[C@@H](O)C[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000015117345 571731402 /nfs/dbraw/zinc/73/14/02/571731402.db2.gz JMJVYEINATYJHM-CZGBFSBRSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM CC1(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@]2(C(=O)[O-])C[C@@H]1O ZINC000100777333 571823791 /nfs/dbraw/zinc/82/37/91/571823791.db2.gz CFKXWTNHIJAFNL-YBUGYYCDSA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777578 571824667 /nfs/dbraw/zinc/82/46/67/571824667.db2.gz RWNHLTKFBKYDOJ-ZGLPLWQPSA-N -1 0 488.709 5.177 1 0 endogenous,in-man JKAFRM C[C@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100779398 571830904 /nfs/dbraw/zinc/83/09/04/571830904.db2.gz KQTSQSVDAUIWJH-NVVFHEJESA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@H](C)[C@@H](C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C ZINC000100779519 571831207 /nfs/dbraw/zinc/83/12/07/571831207.db2.gz PHFUCJXOLZAQNH-SXXNXIEUSA-N -1 0 498.748 7.660 1 0 endogenous,in-man JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@H](C)[C@H](C)CC[C@@]4(C(=O)[O-])CC[C@@]23C)C1(C)C ZINC000100779523 571831256 /nfs/dbraw/zinc/83/12/56/571831256.db2.gz PHFUCJXOLZAQNH-CQVBGZHBSA-N -1 0 498.748 7.660 1 0 endogenous,in-man JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000100780831 571834007 /nfs/dbraw/zinc/83/40/07/571834007.db2.gz BHVJSLPLFOAMEV-MAXGQAFJSA-N -1 0 456.711 7.378 1 0 endogenous,in-man JKAFRM C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000257570250 571860502 /nfs/dbraw/zinc/86/05/02/571860502.db2.gz VOYZLKWKVLYJHD-AIWOQWJXSA-N -1 0 454.695 7.608 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C(=O)[O-])CC[C@@]1(C)O ZINC000085640526 574416742 /nfs/dbraw/zinc/41/67/42/574416742.db2.gz URJPXMKINYSFCX-BQHPYWPHSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM C[C@]12CC[C@H](O)[C@](C)(CO)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])[C@H](O)C[C@]3(C)CC[C@]21C ZINC000095619499 574417073 /nfs/dbraw/zinc/41/70/73/574417073.db2.gz ZXWLSOQCDSAYHO-OHYRATBRSA-N -1 0 488.709 5.177 1 0 endogenous,in-man JKAFRM C[C@]12CC[C@H](O)[C@](C)(CO)[C@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])[C@H](O)C[C@]3(C)CC[C@]21C ZINC000095619501 574417074 /nfs/dbraw/zinc/41/70/74/574417074.db2.gz ZXWLSOQCDSAYHO-MRAAHXKTSA-N -1 0 488.709 5.177 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)C[C@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@]1(C)O ZINC000095619503 574417078 /nfs/dbraw/zinc/41/70/78/574417078.db2.gz UYHSBQDAYWOYNS-NBPPOLQCSA-N -1 0 486.693 5.383 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100779173 574418841 /nfs/dbraw/zinc/41/88/41/574418841.db2.gz JXSVIVRDWWRQRT-RSLYTGNBSA-N -1 0 488.709 5.033 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@]1(C)O ZINC000100780250 574418877 /nfs/dbraw/zinc/41/88/77/574418877.db2.gz UYHSBQDAYWOYNS-VCLHPCRASA-N -1 0 486.693 5.383 1 0 endogenous,in-man JKAFRM CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000012358213 581098280 /nfs/dbraw/zinc/09/82/80/581098280.db2.gz IILKLIPGEXMTPN-WFRJPOHTSA-N -1 0 478.588 6.897 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000069482545 290695228 /nfs/dbraw/zinc/69/52/28/290695228.db2.gz PZXJOHSZQAEJFE-NFICLICLSA-N -1 0 458.727 7.169 1 0 biogenic,in-vitro JKAFRM C[C@@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)[O-])cc1)C1=C(Cl)CCC1 ZINC000006745733 541107752 /nfs/dbraw/zinc/10/77/52/541107752.db2.gz RXTLJHATTIUSHW-CYBMUJFWSA-N -1 0 450.944 5.663 1 0 JKAFRM C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)nnn1C)c1ccccc1 ZINC000095574469 541107809 /nfs/dbraw/zinc/10/78/09/541107809.db2.gz QTUMYGXPEACCGE-GOSISDBHSA-N -1 0 482.540 5.575 1 0 JKAFRM C[C@H](OC(=O)Nc1conc1-c1ccc(NC(=O)CCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903656 541108351 /nfs/dbraw/zinc/10/83/51/541108351.db2.gz OMOMFBJGKABUGF-ZDUSSCGKSA-N -1 0 457.870 5.108 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C(=O)[C@]3(CC[C@@]12C)[C@@H](O)C[C@H]1[C@]3(C)CC[C@@H](O)C1(C)C)C(=O)[O-] ZINC000095910790 291551339 /nfs/dbraw/zinc/55/13/39/291551339.db2.gz XNCMLHLLWLWFRO-VJBLNVPASA-N -1 0 488.709 5.774 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@@]4(O[C@@H]4C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000070454471 291568518 /nfs/dbraw/zinc/56/85/18/291568518.db2.gz WBBLNSHLTSFBJS-CRBJBNDUSA-N -1 0 472.710 6.445 1 0 biogenic,in-vitro JKAFRM CC1(C)C[C@H]2C3=CC=C4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1=O ZINC000095914193 291569833 /nfs/dbraw/zinc/56/98/33/291569833.db2.gz LQDXXKMHFSMXHG-AMJXRMCZSA-N -1 0 466.662 6.541 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H]2CC=C3C[C@]4(C)CC[C@H]5[C@](C)(CC[C@@H](O)[C@]5(C)C(=O)[O-])[C@H]4CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000095910695 291571601 /nfs/dbraw/zinc/57/16/01/291571601.db2.gz RGIWJHUJDHZDIN-RGXKMNGBSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)[O-])C[C@H](O)[C@]3(C)CC[C@]21C ZINC000070455288 291571808 /nfs/dbraw/zinc/57/18/08/291571808.db2.gz JTBGJQZJEYVBJZ-IKDSPZQCSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1=C2C3=CC[C@H]4[C@@](C)(CC[C@@H]5[C@@H](C)[C@@H](O)[C@H](O)C[C@@]54C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@H]1C ZINC000059589370 291573360 /nfs/dbraw/zinc/57/33/60/291573360.db2.gz WLYRQWGKOGSNCG-PFHJXGGJSA-N -1 0 456.667 5.734 1 0 biogenic,in-vitro JKAFRM CCCCC[C@H](O)/C=C/C(=C/CCCC[C@@H](CCC(=O)[O-])CCC(C)C)CCc1ccccc1 ZINC000085490984 291580976 /nfs/dbraw/zinc/58/09/76/291580976.db2.gz YICUWSQBTNFXCC-FMBHBLDVSA-N -1 0 470.738 8.521 1 0 biogenic,in-vitro JKAFRM CCCCC[C@H](O)CC[C@H](O)[C@@H](CCCCC[C@@H]1C=C[C@@H](CCCCC)C[C@H]1O)C(=O)[O-] ZINC000085492842 291580984 /nfs/dbraw/zinc/58/09/84/291580984.db2.gz BLWDRSLXSMBRGC-OPOYRNPBSA-N -1 0 454.692 5.854 1 0 biogenic,in-vitro JKAFRM CCCCCc1cc(C[C@@H](C/C=C/CCC(=O)[O-])CCCCCC[C@@H]2C=CCC2)ccc1O ZINC000085489269 291581712 /nfs/dbraw/zinc/58/17/12/291581712.db2.gz QTDBTQPGXHUWHJ-YGZICPCLSA-N -1 0 454.695 8.402 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000059587701 291594180 /nfs/dbraw/zinc/59/41/80/291594180.db2.gz CNBCCSIEEHZIJG-LZVFEZRYSA-N -1 0 458.683 5.814 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000070454529 291594277 /nfs/dbraw/zinc/59/42/77/291594277.db2.gz OXVUXGFZHDKYLS-SAQRKOJASA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@H](C(=O)[O-])CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000034208815 291594288 /nfs/dbraw/zinc/59/42/88/291594288.db2.gz PSVZSZBQAZPKNI-JFXQBVRBSA-N -1 0 456.711 7.090 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000059586874 291594849 /nfs/dbraw/zinc/59/48/49/291594849.db2.gz RJIPZJFQEWTNSN-NCVRMBIUSA-N -1 0 470.694 6.269 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000095098944 291598387 /nfs/dbraw/zinc/59/83/87/291598387.db2.gz HFGSQOYIOKBQOW-LZFSSSGWSA-N -1 0 472.710 6.060 1 0 biogenic,in-vitro JKAFRM CC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)[O-])cc1 ZINC000004644068 194393052 /nfs/dbraw/zinc/39/30/52/194393052.db2.gz ZJYBFWAHBKJZAT-JGPKDBRGSA-N -1 0 463.533 5.463 1 0 JKAFRM CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)[O-])c1 ZINC000012380236 555968602 /nfs/dbraw/zinc/96/86/02/555968602.db2.gz DUMKXWXOBPSKLC-JZTSUELASA-N -1 0 463.533 5.463 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000070455303 560047353 /nfs/dbraw/zinc/04/73/53/560047353.db2.gz WCXZTKJFWJFMJG-OMLDNVHMSA-N -1 0 470.694 6.414 1 0 biogenic,in-vitro JKAFRM CC1=C2CC[C@@H]3[C@@](C)(CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)[C@H]1O ZINC000070455286 560047441 /nfs/dbraw/zinc/04/74/41/560047441.db2.gz XMKVZUMTOPEITL-QKCUCWIBSA-N -1 0 458.683 5.958 1 0 biogenic,in-vitro JKAFRM Cc1ccc2c(c1C)C1=CC[C@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)[O-])[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000070454984 560047840 /nfs/dbraw/zinc/04/78/40/560047840.db2.gz JMQNCNOQIYLMHF-AQEANRPFSA-N -1 0 452.635 5.298 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C(=O)[O-])[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000070450980 560049055 /nfs/dbraw/zinc/04/90/55/560049055.db2.gz NBGQZFQREPIKMG-PFWNHXDLSA-N -1 0 456.711 7.090 1 0 biogenic,in-vitro JKAFRM CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1 ZINC000095915030 560055187 /nfs/dbraw/zinc/05/51/87/560055187.db2.gz HKJOHXSLBNLQHF-OXLNSTONSA-N -1 0 454.695 7.154 1 0 biogenic,in-vitro JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000095914140 560056039 /nfs/dbraw/zinc/05/60/39/560056039.db2.gz CGZZFWMLSVHLFZ-QZFTZMCWSA-N -1 0 454.695 7.442 1 0 biogenic,in-vitro JKAFRM COC(=O)[C@@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@H](C)C(=O)CC[C@]43C)[C@@H]2C1 ZINC000095914095 560056113 /nfs/dbraw/zinc/05/61/13/560056113.db2.gz XJQHWTGJGLNYLT-WDDAUBDHSA-N -1 0 484.677 6.205 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(O)C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](O)[C@]4(C)C(=O)[O-])[C@H]3CC[C@@H]12 ZINC000095913380 560056748 /nfs/dbraw/zinc/05/67/48/560056748.db2.gz KJEMTTTXNNLOSG-PWFIOIGMSA-N -1 0 490.725 5.399 1 0 biogenic,in-vitro JKAFRM C[C@H]1C=C2[C@]3(C)CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]2(C)[C@@H]2C[C@](C)(C(=O)[O-])CC[C@H]12 ZINC000095911401 560058248 /nfs/dbraw/zinc/05/82/48/560058248.db2.gz FQLHSEFQQDKPLB-UDHDRTDPSA-N -1 0 454.695 7.298 1 0 biogenic,in-vitro JKAFRM C[C@H]1C=C2[C@]3(C)CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)[C@@H]2C[C@](C)(C(=O)[O-])CC[C@H]12 ZINC000095911400 560058264 /nfs/dbraw/zinc/05/82/64/560058264.db2.gz SQWGTCZAKRLFNW-OUERENTKSA-N -1 0 456.711 7.090 1 0 biogenic,in-vitro JKAFRM CC(=O)[C@H](C)CC[C@@]1(C(=O)[O-])C=C2C=C[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@H](O)[C@H](O)C[C@]34C)[C@]2(C)CC1 ZINC000095910674 560058516 /nfs/dbraw/zinc/05/85/16/560058516.db2.gz RCRWNWKSMJGPHS-NGXGCBRHSA-N -1 0 486.693 5.550 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@@H]5[C@](C)([C@H](O)CC[C@]5(C)O)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000095486113 560061727 /nfs/dbraw/zinc/06/17/27/560061727.db2.gz QCEOICZPCFVZBE-BXTACUASSA-N -1 0 458.683 5.958 1 0 biogenic,in-vitro JKAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(OCCCO)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569423 560069891 /nfs/dbraw/zinc/06/98/91/560069891.db2.gz KUSOKOIXRLJTAW-UHFFFAOYSA-N -1 0 490.552 5.127 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](C=CC4=C5C[C@](C)(CC(=O)[O-])[C@H](O)C[C@]5(C)CC[C@]43C)[C@]2(C)CC[C@@H]1O ZINC000085511880 560073746 /nfs/dbraw/zinc/07/37/46/560073746.db2.gz LVDCSJMXTGYRIV-GLSGUXCFSA-N -1 0 484.721 6.515 1 0 biogenic,in-vitro JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(=O)[O-])CCC(C)(C)C[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000069482059 560078437 /nfs/dbraw/zinc/07/84/37/560078437.db2.gz UROPGAQBZGIPQC-CPYYBEFGSA-N -1 0 498.748 7.804 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000043409464 560085615 /nfs/dbraw/zinc/08/56/15/560085615.db2.gz NZCULBURCGAPSF-QMNXFDJWSA-N -1 0 472.710 6.062 1 0 biogenic,in-vitro JKAFRM CC1(C)CC2=C3C=C[C@H]4[C@@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1=O ZINC000033902646 560087853 /nfs/dbraw/zinc/08/78/53/560087853.db2.gz ZVVPEBOPTVRCNV-VNPBPMLNSA-N -1 0 466.662 6.541 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000003978774 560192789 /nfs/dbraw/zinc/19/27/89/560192789.db2.gz PGOYMURMZNDHNS-SGABMGGSSA-N -1 0 472.710 6.206 3 0 in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000003978773 560192808 /nfs/dbraw/zinc/19/28/08/560192808.db2.gz PGOYMURMZNDHNS-MJODZROWSA-N -1 0 472.710 6.206 3 0 in-vitro JKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000003983869 560193086 /nfs/dbraw/zinc/19/30/86/560193086.db2.gz PHFUCJXOLZAQNH-VDYWDTIOSA-N -1 0 498.748 7.660 1 0 in-vitro JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000013336506 560214660 /nfs/dbraw/zinc/21/46/60/560214660.db2.gz MDZKJHQSJHYOHJ-NJGWBGMVSA-N -1 0 472.710 6.204 1 0 in-vitro JKAFRM CC/C(=C\C=C\[C@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)[O-])CC[C@@H]1C ZINC000013563339 560219897 /nfs/dbraw/zinc/21/98/97/560219897.db2.gz HSZFOQSMGNAIJM-XDNBNQNWSA-N -1 0 465.634 6.213 1 0 in-vitro JKAFRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)[O-] ZINC000015147691 560228944 /nfs/dbraw/zinc/22/89/44/560228944.db2.gz MJHWTWLEKCSGAR-DOFZRALJSA-N -1 0 472.798 10.898 1 0 in-vitro JKAFRM COc1ccc2c(c1)c(Cc1ccc(O[C@H](C)C(=O)[O-])cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000593908 562918245 /nfs/dbraw/zinc/91/82/45/562918245.db2.gz QEAQRCMOQDLSRU-QGZVFWFLSA-N -1 0 477.944 5.743 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)[O-])cc2c(OCc3ccccc3)cccc12 ZINC000000598184 562918387 /nfs/dbraw/zinc/91/83/87/562918387.db2.gz VPJQGXIZXVPFOC-UHFFFAOYSA-N -1 0 453.538 5.361 1 0 investigational JKAFRM O=C([O-])c1c(CC2CCCCC2)c(=O)c2ccccc2n1Cc1cc2c(cc1Cl)OCO2 ZINC000001486334 562920203 /nfs/dbraw/zinc/92/02/03/562920203.db2.gz VTCUTMPKRWUURH-UHFFFAOYSA-N -1 0 453.922 5.253 1 0 JKAFRM CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000001533783 562920518 /nfs/dbraw/zinc/92/05/18/562920518.db2.gz ZRDDHPPVSIUFDX-UHFFFAOYSA-N -1 0 483.008 6.248 1 0 JKAFRM COc1ccc(-c2cccc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1 ZINC000001537610 562920678 /nfs/dbraw/zinc/92/06/78/562920678.db2.gz VQNSWFXNJVENQW-NDEPHWFRSA-N -1 0 477.560 5.532 1 0 JKAFRM COc1ccc(Cc2cccc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1 ZINC000001537609 562920706 /nfs/dbraw/zinc/92/07/06/562920706.db2.gz WQXLMVOGAAPBID-LJAQVGFWSA-N -1 0 491.587 5.456 1 0 JKAFRM O=C([O-])c1ccc(CCNC(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000001539348 562920733 /nfs/dbraw/zinc/92/07/33/562920733.db2.gz IXSRNSVQRMOPTQ-UHFFFAOYSA-N -1 0 476.532 5.638 1 0 investigational JKAFRM CC[C@@H](C)c1ccc(NC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Br)cc1 ZINC000001540814 562920841 /nfs/dbraw/zinc/92/08/41/562920841.db2.gz VMSGLMJNCOIKRS-LLVKDONJSA-N -1 0 498.424 5.374 1 0 JKAFRM O=C([O-])c1ccc2oc(C(=O)COc3ccc(SCCCCCc4ccccc4)cc3)nc2c1 ZINC000001548766 562921115 /nfs/dbraw/zinc/92/11/15/562921115.db2.gz BHHSURXPIUIOSV-UHFFFAOYSA-N -1 0 475.566 6.293 1 0 JKAFRM O=C([O-])CCCCCOc1c(Cl)cc(NC(=O)NC(=O)c2ccccc2Cl)cc1Cl ZINC000001551345 562921171 /nfs/dbraw/zinc/92/11/71/562921171.db2.gz ARVRASHRVDBVGF-UHFFFAOYSA-N -1 0 473.740 5.633 1 0 JKAFRM O=C([N-][C@@H]1CC(=O)c2c(N3CCC(c4ccccc4)CC3)sc(Br)c21)C(F)(F)F ZINC000001638254 562922042 /nfs/dbraw/zinc/92/20/42/562922042.db2.gz DCKMBKBWOHERDL-CYBMUJFWSA-N -1 0 487.341 5.201 1 0 JKAFRM O=C([O-])c1ccc(CCCOc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000001894908 562924089 /nfs/dbraw/zinc/92/40/89/562924089.db2.gz NAHAJZXNHLPBFG-UHFFFAOYSA-N -1 0 463.533 6.677 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc(C(=O)[O-])cc2Br)cc(C(C)C)c1O ZINC000001910624 562924182 /nfs/dbraw/zinc/92/41/82/562924182.db2.gz PFUQJKKBXJZCRY-UHFFFAOYSA-N -1 0 472.173 6.655 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccccc1Cl ZINC000003625562 562927420 /nfs/dbraw/zinc/92/74/20/562927420.db2.gz LTYXEXVNWGIXBV-NRFANRHFSA-N -1 0 472.766 5.441 1 0 JKAFRM CCOC(=O)[C@@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000003651356 562927647 /nfs/dbraw/zinc/92/76/47/562927647.db2.gz OJFMMMQYQZJWIZ-QHCPKHFHSA-N -1 0 471.509 5.361 1 0 JKAFRM CCOC(=O)/C(=C\c1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000003789035 562928148 /nfs/dbraw/zinc/92/81/48/562928148.db2.gz DGVSCPABXASHPS-QJOMJCCJSA-N -1 0 469.493 5.576 1 0 JKAFRM CC(C)CCC[C@@H](C)[C@H]1C=C[C@@]2(CC(=O)[O-])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003792796 562928249 /nfs/dbraw/zinc/92/82/49/562928249.db2.gz AUNLCWKHCZCMHW-HZAPIMJMSA-N -1 0 470.738 7.790 1 0 JKAFRM CCCCCC(=O)c1c(O)c2c(oc3c2c([O-])c(Cl)c(OC)c3Cl)c(Cl)c1OC ZINC000003920916 562929867 /nfs/dbraw/zinc/92/98/67/562929867.db2.gz HANVBLRSGDIVGE-UHFFFAOYSA-N -1 0 461.725 6.738 1 0 JKAFRM O=C([O-])[C@]1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1 ZINC000003938060 562930237 /nfs/dbraw/zinc/93/02/37/562930237.db2.gz TZIWMCOVGUSGHT-IBGZPJMESA-N -1 0 498.803 5.613 1 0 JKAFRM CCCCCc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)[O-])cc2)c1-c1ccccc1 ZINC000003949868 562930666 /nfs/dbraw/zinc/93/06/66/562930666.db2.gz AUURCJRXNDZHEQ-QGOAFFKASA-N -1 0 452.550 7.835 1 0 in-vitro JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Cl)c(Cl)c4)cc3F)nc2c1 ZINC000003959830 562931001 /nfs/dbraw/zinc/93/10/01/562931001.db2.gz VZLLAUFAWFMYLE-FPYGCLRLSA-N -1 0 485.298 6.220 1 0 JKAFRM COc1ccc(-c2ccc(OCc3cc(C(=O)[N-]S(=O)(=O)Cc4ccccc4)oc3C)cc2)cc1 ZINC000003962732 562931065 /nfs/dbraw/zinc/93/10/65/562931065.db2.gz LYEMEHOFTOJXCK-UHFFFAOYSA-N -1 0 491.565 5.102 1 0 JKAFRM CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003964584 562931153 /nfs/dbraw/zinc/93/11/53/562931153.db2.gz CFDOCMGYUBAVED-JBYJGCOVSA-N -1 0 470.738 7.888 1 0 JKAFRM Cc1nc(C(=O)COc2ccc(SCCCCCc3ccccc3)cc2)sc1CCC(=O)[O-] ZINC000003976401 562931317 /nfs/dbraw/zinc/93/13/17/562931317.db2.gz KULXJXLIPPIJLP-UHFFFAOYSA-N -1 0 483.655 6.236 1 0 JKAFRM C[C@@]1(CCC(=O)[O-])CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1 ZINC000003985459 562931533 /nfs/dbraw/zinc/93/15/33/562931533.db2.gz GTACCOSBAZIBSI-SSEXGKCCSA-N -1 0 497.547 5.982 1 0 JKAFRM CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(C(=O)[O-])cc4)cc3)cc21 ZINC000003992609 562931741 /nfs/dbraw/zinc/93/17/41/562931741.db2.gz VTMXSWVEWDJSKG-UHFFFAOYSA-N -1 0 497.591 6.122 1 0 in-vitro JKAFRM Cc1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2)c([S-])cc1Cl ZINC000005579338 562934260 /nfs/dbraw/zinc/93/42/60/562934260.db2.gz UWGCENJWPDTUFD-HXUWFJFHSA-N -1 0 478.426 5.249 1 0 JKAFRM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000008609249 562947277 /nfs/dbraw/zinc/94/72/77/562947277.db2.gz WIHQSSYDRKKXML-SFHVURJKSA-N -1 0 466.456 5.109 1 0 JKAFRM O=C([O-])Cn1cc(Cc2nc3c(s2)c(F)cc(F)c3F)c2ccc(-c3ccccc3)cc21 ZINC000011536227 562957369 /nfs/dbraw/zinc/95/73/69/562957369.db2.gz OTPMXLDHDYTZCJ-UHFFFAOYSA-N -1 0 452.457 6.011 1 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(-c3ccco3)cc2)cc1)C(=O)[O-] ZINC000012358216 562959505 /nfs/dbraw/zinc/95/95/05/562959505.db2.gz XHKNGLNAUZPBHP-NNAGEYCMSA-N -1 0 468.549 6.490 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCOc1ccc(CCCC(=O)[O-])cc1 ZINC000012358255 562959562 /nfs/dbraw/zinc/95/95/62/562959562.db2.gz XNGZNUAVYKUZJL-UHFFFAOYSA-N -1 0 459.542 6.312 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000012358248 562959566 /nfs/dbraw/zinc/95/95/66/562959566.db2.gz WELKFNXQERYWJT-IBGZPJMESA-N -1 0 475.541 6.147 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccc(CCC(=O)[O-])cc1 ZINC000012358241 562959570 /nfs/dbraw/zinc/95/95/70/562959570.db2.gz LYGAMWGAJBJZIH-UHFFFAOYSA-N -1 0 459.542 6.312 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000012358249 562959584 /nfs/dbraw/zinc/95/95/84/562959584.db2.gz WELKFNXQERYWJT-LJQANCHMSA-N -1 0 475.541 6.147 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000012358251 562959599 /nfs/dbraw/zinc/95/95/99/562959599.db2.gz OMZLWUCIRCWAKE-HXUWFJFHSA-N -1 0 489.568 6.537 1 0 JKAFRM CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358494 562959739 /nfs/dbraw/zinc/95/97/39/562959739.db2.gz UMCOHKMLPVPQBF-VWLOTQADSA-N -1 0 493.581 6.009 1 0 JKAFRM CCCc1cc(OC2CCCCC2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358500 562959768 /nfs/dbraw/zinc/95/97/68/562959768.db2.gz GYMUSJRQCDBZCQ-VWLOTQADSA-N -1 0 483.630 6.223 1 0 JKAFRM CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358512 562959783 /nfs/dbraw/zinc/95/97/83/562959783.db2.gz AGIZWZHGBUGOHX-VWLOTQADSA-N -1 0 467.631 6.559 1 0 JKAFRM CCCc1cc(C2CCCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)[N-]C2=O)c1 ZINC000012358518 562959827 /nfs/dbraw/zinc/95/98/27/562959827.db2.gz PXPRUWKPZYWZRO-AREMUKBSSA-N -1 0 465.590 6.232 1 0 JKAFRM Cc1oc(C2CCCCC2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358527 562959841 /nfs/dbraw/zinc/95/98/41/562959841.db2.gz OYRNUVYEOVJEPD-MUUNZHRXSA-N -1 0 463.574 6.117 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)CC[C@H](C(=O)[O-])O2 ZINC000012358539 562959845 /nfs/dbraw/zinc/95/98/45/562959845.db2.gz DISPMSFQNOPWJO-HHHXNRCGSA-N -1 0 462.542 6.058 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)O[C@](C)(C(=O)[O-])CC2 ZINC000012358549 562959872 /nfs/dbraw/zinc/95/98/72/562959872.db2.gz VWFYUDHZTCZXBE-PMERELPUSA-N -1 0 490.596 6.838 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CO)[C@@H](O)C[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000012726392 562960824 /nfs/dbraw/zinc/96/08/24/562960824.db2.gz QXFJACMLXSJEMH-OGKPSKQVSA-N -1 0 488.709 5.177 3 0 JKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)NC(=O)N1CCCCCC(=O)[O-] ZINC000013125820 562961444 /nfs/dbraw/zinc/96/14/44/562961444.db2.gz YPOWTXORXMRVDL-QHCPKHFHSA-N -1 0 470.953 5.069 3 0 JKAFRM CCCC[C@@](C)(CC)C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)C(=O)[O-] ZINC000013443110 562963792 /nfs/dbraw/zinc/96/37/92/562963792.db2.gz VXCKTYMFCSKBKQ-RBJSKKJNSA-N -1 0 475.589 5.206 1 0 JKAFRM CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)C(=O)[O-])c1ccccc1 ZINC000013443142 562963795 /nfs/dbraw/zinc/96/37/95/562963795.db2.gz RPBOWOMYXCORKU-RRPNLBNLSA-N -1 0 495.579 5.039 1 0 JKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(c3cncc4ccccc43)CCCC2)C(=O)[O-])cc1 ZINC000013445323 562964026 /nfs/dbraw/zinc/96/40/26/562964026.db2.gz SFOPKWDSFYOUGN-MHZLTWQESA-N -1 0 494.591 5.534 1 0 JKAFRM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(Cl)c2Cl)CC1 ZINC000013470562 562965380 /nfs/dbraw/zinc/96/53/80/562965380.db2.gz HSJWUDLCVCZMAZ-QHHAFSJGSA-N -1 0 494.396 5.252 1 0 JKAFRM COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c(C(F)(F)F)c1Cl ZINC000013470567 562965413 /nfs/dbraw/zinc/96/54/13/562965413.db2.gz LMKUPFOQNQUVLK-VQHVLOKHSA-N -1 0 499.938 5.855 1 0 JKAFRM CCCOc1ccc2c(c1)O[C@@H](c1ccc3c(c1)OCO3)C(C(=O)[O-])=C2c1ccc(OC)cc1 ZINC000013473392 562966216 /nfs/dbraw/zinc/96/62/16/562966216.db2.gz QUWOEEIDQUFCII-SANMLTNESA-N -1 0 460.482 5.233 1 0 JKAFRM CCCCOc1ccc2c(c1)C(c1ccc(OC)cc1)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000013473382 562966229 /nfs/dbraw/zinc/96/62/29/562966229.db2.gz YUHAWTTVGHOZRZ-HHHXNRCGSA-N -1 0 474.509 5.623 1 0 JKAFRM COc1cccc(C2=C(C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)c1 ZINC000013473475 562966290 /nfs/dbraw/zinc/96/62/90/562966290.db2.gz MFAYCZLPZCCFHS-AREMUKBSSA-N -1 0 460.482 5.231 1 0 JKAFRM COc1ccc(CC2=C(C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473478 562966303 /nfs/dbraw/zinc/96/63/03/562966303.db2.gz PYKKWGNJQPRNLU-MHZLTWQESA-N -1 0 474.509 5.426 1 0 JKAFRM O=C([O-])Cc1ccc(C=C2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)c(F)c1 ZINC000013475219 562966958 /nfs/dbraw/zinc/96/69/58/562966958.db2.gz GGLAKBDPRNBVMM-UHFFFAOYSA-N -1 0 455.614 6.235 1 0 JKAFRM S=C1[N-]c2ccc(-c3cccc(Cl)c3)cc2C(Cc2ccccc2)(Cc2ccccc2)O1 ZINC000013488877 562968395 /nfs/dbraw/zinc/96/83/95/562968395.db2.gz FNXHYOFYGFDMGS-UHFFFAOYSA-N -1 0 456.010 7.415 1 0 JKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000013489821 562968950 /nfs/dbraw/zinc/96/89/50/562968950.db2.gz SHDCLKPYVMBGAS-UHFFFAOYSA-N -1 0 482.207 6.711 1 0 JKAFRM CC(C)Cc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000013489931 562968980 /nfs/dbraw/zinc/96/89/80/562968980.db2.gz QEHZSWMEWAMTLL-AREMUKBSSA-N -1 0 491.609 6.549 1 0 JKAFRM CC(C)Cc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000013489930 562969003 /nfs/dbraw/zinc/96/90/03/562969003.db2.gz QEHZSWMEWAMTLL-SANMLTNESA-N -1 0 491.609 6.549 1 0 JKAFRM CC(C)[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c21 ZINC000013492846 562970052 /nfs/dbraw/zinc/97/00/52/562970052.db2.gz KWQXKZMQOPIHFN-IBGZPJMESA-N -1 0 460.317 5.166 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(Cc3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521243 562970895 /nfs/dbraw/zinc/97/08/95/562970895.db2.gz GOARTMZJDDGOMQ-YZHPGCENSA-N -1 0 467.631 5.172 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521239 562970910 /nfs/dbraw/zinc/97/09/10/562970910.db2.gz QTPDOBNDVXWFTR-KPALQMBUSA-N -1 0 469.603 5.373 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3cc(-c4ccccc4)[nH]c3c2)[C@@H]2CC[C@H]1C2 ZINC000013521299 562970980 /nfs/dbraw/zinc/97/09/80/562970980.db2.gz ZXYKMMPSNMXKBO-WPKXVAIUSA-N -1 0 492.641 5.729 1 0 JKAFRM O=C([O-])[C@H]1[C@H](Cn2nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000013525904 562971416 /nfs/dbraw/zinc/97/14/16/562971416.db2.gz SPHCUXPEUQITEV-HARLFGEKSA-N -1 0 479.989 5.088 1 0 JKAFRM O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1Sc1ccc(-c2ccccc2)cc1 ZINC000013525863 562971439 /nfs/dbraw/zinc/97/14/39/562971439.db2.gz CXRYZROMBCZZFO-IGKWTDBASA-N -1 0 457.551 5.221 1 0 JKAFRM CC(/C=C/c1ccccc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCCCF)=C\C(=O)[O-] ZINC000013527145 562971667 /nfs/dbraw/zinc/97/16/67/562971667.db2.gz BIYAHXVUPFJGKI-SGCNCOIJSA-N -1 0 452.610 7.731 1 0 JKAFRM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000013534708 562972603 /nfs/dbraw/zinc/97/26/03/562972603.db2.gz GRDGNNDMWJNVER-UHFFFAOYSA-N -1 0 478.162 7.518 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000013537356 562972771 /nfs/dbraw/zinc/97/27/71/562972771.db2.gz NZYHLAMYTIOUFJ-AREMUKBSSA-N -1 0 491.609 6.694 1 0 JKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000013539324 562973068 /nfs/dbraw/zinc/97/30/68/562973068.db2.gz QMKXLHIRXIYHRA-NRFANRHFSA-N -1 0 463.496 7.080 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@@H]1O ZINC000013545514 562973101 /nfs/dbraw/zinc/97/31/01/562973101.db2.gz WTYUUMRZSINYLI-INXNDITPSA-N -1 0 472.710 6.204 3 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000013553344 562973292 /nfs/dbraw/zinc/97/32/92/562973292.db2.gz XMMKWKCRNSDLHZ-NRFANRHFSA-N -1 0 479.201 6.458 1 0 JKAFRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013553372 562973326 /nfs/dbraw/zinc/97/33/26/562973326.db2.gz IPJTXJHZZKIQEO-BTZRARBUSA-N -1 0 452.595 5.091 1 0 JKAFRM CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000013553663 562973409 /nfs/dbraw/zinc/97/34/09/562973409.db2.gz BZLTUCWBZRKZHF-DEOSSOPVSA-N -1 0 469.603 5.833 1 0 JKAFRM CN(C)c1ccc2nc(/C=C/c3cccc4cc([N-]S(=O)(=O)C(F)(F)F)ccc34)ccc2c1 ZINC000013560076 562975190 /nfs/dbraw/zinc/97/51/90/562975190.db2.gz KBCFJRMIJSNCAY-SOFGYWHQSA-N -1 0 471.504 5.886 1 0 JKAFRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(cccc3OCc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000013560106 562975231 /nfs/dbraw/zinc/97/52/31/562975231.db2.gz BTPWHYUERRQBBC-UHFFFAOYSA-N -1 0 465.427 6.388 1 0 JKAFRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(cccc3COc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000013560100 562975277 /nfs/dbraw/zinc/97/52/77/562975277.db2.gz ZQHCOTFFPLNEHD-UHFFFAOYSA-N -1 0 465.427 6.388 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C(=O)C(C)C)c1Cl ZINC000013560320 562975375 /nfs/dbraw/zinc/97/53/75/562975375.db2.gz JWNRJKYXYXPAQY-UHFFFAOYSA-N -1 0 496.010 5.207 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C(=O)[O-])cc1 ZINC000013560863 562975480 /nfs/dbraw/zinc/97/54/80/562975480.db2.gz ZINGCCDYGREWQV-UHFFFAOYSA-N -1 0 466.541 5.668 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(Cl)c2C(=O)[O-])cc1 ZINC000013560861 562975519 /nfs/dbraw/zinc/97/55/19/562975519.db2.gz CPPCOUAVKSXREI-UHFFFAOYSA-N -1 0 484.987 6.616 1 0 JKAFRM CC(C)c1cc(Oc2c(Cl)cc(N[C@@H](Cc3ccccc3)C(=O)[O-])cc2Cl)ccc1O ZINC000013602469 562978454 /nfs/dbraw/zinc/97/84/54/562978454.db2.gz NGBYTDSMUBIEGS-NRFANRHFSA-N -1 0 460.357 6.723 1 0 JKAFRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@](C)(Cc1ccc(Cl)cc1)Oc1ccc(C(C)C)cc1 ZINC000013604878 562978585 /nfs/dbraw/zinc/97/85/85/562978585.db2.gz JUHWKEKNZCSZCG-AREMUKBSSA-N -1 0 486.033 5.657 1 0 JKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C(/C(=O)Nc1ccccc1)c1ccccc1 ZINC000013609230 562979135 /nfs/dbraw/zinc/97/91/35/562979135.db2.gz LILUTDMHDPNBAK-GHRIWEEISA-N -1 0 451.309 6.352 1 0 JKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C(/C(=O)NCc1ccccc1)c1ccccc1 ZINC000013609233 562979148 /nfs/dbraw/zinc/97/91/48/562979148.db2.gz BYIXIBXGDFIEMP-QGOAFFKASA-N -1 0 465.336 6.030 1 0 JKAFRM CCCn1cc(Cc2ccc(C(=O)[O-])cc2OC)c2cc(NC(=O)OC3CCCC3)ccc21 ZINC000013650713 562981226 /nfs/dbraw/zinc/98/12/26/562981226.db2.gz DGNCWHJGPDCQIQ-UHFFFAOYSA-N -1 0 450.535 5.840 1 0 JKAFRM CC[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671825 562982542 /nfs/dbraw/zinc/98/25/42/562982542.db2.gz NYVCWCQOBZBISN-FQEVSTJZSA-N -1 0 460.832 5.255 1 0 JKAFRM CC(C)[C@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671832 562982546 /nfs/dbraw/zinc/98/25/46/562982546.db2.gz WGTAXHBXOPSDFG-NRFANRHFSA-N -1 0 474.859 5.501 1 0 JKAFRM CC[C@]1(C(=O)[O-])Cc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1 ZINC000013671862 562982650 /nfs/dbraw/zinc/98/26/50/562982650.db2.gz BLLKMHPEGRBPKA-HXUWFJFHSA-N -1 0 460.832 5.255 1 0 JKAFRM Cc1ccccc1-c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674688 562983060 /nfs/dbraw/zinc/98/30/60/562983060.db2.gz PWLNOALQUDBGPV-UHFFFAOYSA-N -1 0 482.624 7.090 1 0 JKAFRM Cc1cccc(C)c1-c1nc(C(=O)Nc2cccc(C(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674721 562983112 /nfs/dbraw/zinc/98/31/12/562983112.db2.gz VGDIKGRBNLSMOK-UHFFFAOYSA-N -1 0 497.639 6.793 1 0 JKAFRM Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)[O-])c2)c(CC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674699 562983140 /nfs/dbraw/zinc/98/31/40/562983140.db2.gz RXFQZLXGIXTYMP-UHFFFAOYSA-N -1 0 469.585 6.095 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2nc(C3CCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674738 562983146 /nfs/dbraw/zinc/98/31/46/562983146.db2.gz ZXEPWVGSUXIBGI-UHFFFAOYSA-N -1 0 475.633 6.557 1 0 JKAFRM Cc1ccc(NC(=O)c2nc(-c3ccccc3C)[nH]c2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000013674711 562983154 /nfs/dbraw/zinc/98/31/54/562983154.db2.gz PDKVMFCONNRTTK-UHFFFAOYSA-N -1 0 497.639 6.793 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013677956 562983643 /nfs/dbraw/zinc/98/36/43/562983643.db2.gz CFOAONDBPOFVJF-UHFFFAOYSA-N -1 0 462.424 5.296 1 0 JKAFRM Cc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678389 562983714 /nfs/dbraw/zinc/98/37/14/562983714.db2.gz BTDGPVPWROAYFN-UHFFFAOYSA-N -1 0 494.034 8.114 1 0 JKAFRM CCCc1c2oc(-c3ccccc3)cc2ccc1OCCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013678012 562983732 /nfs/dbraw/zinc/98/37/32/562983732.db2.gz VOVWQZRQUGCZRR-UHFFFAOYSA-N -1 0 483.564 6.940 1 0 JKAFRM O=C([O-])c1cccc(C[C@@H](O)Cc2cn(C(c3ccccc3)c3ccccc3)c3cc(Cl)ccc23)c1 ZINC000013678382 562983760 /nfs/dbraw/zinc/98/37/60/562983760.db2.gz NYZSJFUJUXWHFH-HHHXNRCGSA-N -1 0 496.006 6.777 1 0 JKAFRM Cc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(N)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678410 562983765 /nfs/dbraw/zinc/98/37/65/562983765.db2.gz AFXBFCKBNXGWTF-UHFFFAOYSA-N -1 0 476.576 6.489 1 0 JKAFRM CCCc1c2[nH]c(-c3ccccc3)cc2ccc1OCCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013678008 562983768 /nfs/dbraw/zinc/98/37/68/562983768.db2.gz YRFJWRCVNFMVHJ-UHFFFAOYSA-N -1 0 482.580 6.675 1 0 JKAFRM COc1c(Cc2cn(C(c3ccccc3)c3ccccc3)c3cc(Cl)ccc23)cccc1C(=O)[O-] ZINC000013678384 562983774 /nfs/dbraw/zinc/98/37/74/562983774.db2.gz AYIXCLVKEOYYNB-UHFFFAOYSA-N -1 0 481.979 7.230 1 0 JKAFRM CCc1ccc(-c2nc(CCc3cccc(OCC(=O)[O-])c3)oc2-c2ccc(CC)cc2)cc1 ZINC000013727445 562984968 /nfs/dbraw/zinc/98/49/68/562984968.db2.gz MPHDRYUYLSRBRY-UHFFFAOYSA-N -1 0 455.554 6.382 1 0 JKAFRM COc1cccc(-c2nc(CCc3cccc(OCC(=O)[O-])c3)oc2-c2cccc(OC)c2)c1 ZINC000013727436 562984970 /nfs/dbraw/zinc/98/49/70/562984970.db2.gz PMTXQNXFIPBJPV-UHFFFAOYSA-N -1 0 459.498 5.274 1 0 JKAFRM NC(=O)CCS[C@@H](SCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000013727978 562985054 /nfs/dbraw/zinc/98/50/54/562985054.db2.gz GFLLPUKOZOHDNV-LHLOKTHNSA-N -1 0 487.046 5.874 1 0 JKAFRM CCCCc1ncc(/C=C(\Cc2ccc3ccccc3c2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000013728101 562985060 /nfs/dbraw/zinc/98/50/60/562985060.db2.gz NMNQWLAEUNEUDB-JJIBRWJFSA-N -1 0 458.989 6.791 1 0 JKAFRM O=C([O-])CCC/C=C(/c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013733153 562985562 /nfs/dbraw/zinc/98/55/62/562985562.db2.gz ZJZSLRMNGAAIAC-GZIVZEMBSA-N -1 0 456.951 5.222 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2cccc3c(NC(=S)Nc4ccccc4)cccc32)c1C ZINC000013741053 562987049 /nfs/dbraw/zinc/98/70/49/562987049.db2.gz GSPSAYRFOXTOER-UHFFFAOYSA-N -1 0 452.561 5.054 1 0 JKAFRM CC(C)(C)c1ccc2c(c1)C(CCCCOc1ccc(C(=O)[O-])cc1)c1cc(C(C)(C)C)ccc1-2 ZINC000013741288 562987070 /nfs/dbraw/zinc/98/70/70/562987070.db2.gz ITEBMFRDTDAAJF-UHFFFAOYSA-N -1 0 470.653 8.341 1 0 JKAFRM CCCC[C@@H](CCC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742336 562987304 /nfs/dbraw/zinc/98/73/04/562987304.db2.gz PTKISLBHPBYWKH-XOGSUGJCSA-N -1 0 490.644 7.458 1 0 JKAFRM CCCC[C@H](CC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742335 562987315 /nfs/dbraw/zinc/98/73/15/562987315.db2.gz UOMNJQJQSLNKKQ-CODHLFFDSA-N -1 0 476.617 7.068 1 0 JKAFRM CCC[C@H](CC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742328 562987328 /nfs/dbraw/zinc/98/73/28/562987328.db2.gz GAEODNOTWSPTDD-TVNSMHFRSA-N -1 0 462.590 6.678 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2Cc2ccccc2C)c1 ZINC000013742347 562987335 /nfs/dbraw/zinc/98/73/35/562987335.db2.gz AZXDEYWLMCGLQL-RELWKKBWSA-N -1 0 482.580 6.284 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2Cc2ccc(F)cc2)c1 ZINC000013742350 562987337 /nfs/dbraw/zinc/98/73/37/562987337.db2.gz LONHLNACZJJTGZ-LVZFUZTISA-N -1 0 486.543 6.114 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(C(C)C)C(C)C)c1 ZINC000013742341 562987351 /nfs/dbraw/zinc/98/73/51/562987351.db2.gz UIJPFPOXHOLJFH-HEHNFIMWSA-N -1 0 476.617 6.780 1 0 JKAFRM CCCC[C@@H](C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742332 562987359 /nfs/dbraw/zinc/98/73/59/562987359.db2.gz IYYSIQPDSMYKBM-BIZYMNTOSA-N -1 0 462.590 6.678 1 0 JKAFRM CC1(C)CCOc2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2cccnc2)c1-3 ZINC000013742715 562987592 /nfs/dbraw/zinc/98/75/92/562987592.db2.gz JVOKQGDMEVUXAX-UHFFFAOYSA-N -1 0 464.565 6.122 1 0 JKAFRM CC[C@H](c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1)c1c([O-])c2ccccc2oc1=O ZINC000013743233 562987667 /nfs/dbraw/zinc/98/76/67/562987667.db2.gz YZCVXRDEIPEXJM-CTNGQTDRSA-N -1 0 492.572 5.379 1 0 JKAFRM O=C([O-])c1ccc2cc(-c3ccc(C[C@H](O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000013745055 562987899 /nfs/dbraw/zinc/98/78/99/562987899.db2.gz XOGICLJNEFNTER-QDTIOVLFSA-N -1 0 456.582 5.569 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000013747460 562988345 /nfs/dbraw/zinc/98/83/45/562988345.db2.gz MYHFMHVYMVFOQH-UHFFFAOYSA-N -1 0 480.630 5.969 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)NCC(c1ccccc1)c1ccccc1 ZINC000013747421 562988383 /nfs/dbraw/zinc/98/83/83/562988383.db2.gz MQJRIMFKLNJQJB-UHFFFAOYSA-N -1 0 479.646 5.721 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NS(=O)(=O)[N-]C(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C ZINC000013747477 562988456 /nfs/dbraw/zinc/98/84/56/562988456.db2.gz XIBUGOXSGAPTAH-UHFFFAOYSA-N -1 0 488.694 6.974 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)OC1[C@H](C(C)C)CCC[C@H]1C(C)C ZINC000013747546 562988466 /nfs/dbraw/zinc/98/84/66/562988466.db2.gz JSNZZPRQHBHKNX-PMACEKPBSA-N -1 0 467.672 6.380 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)[O-])cc2c(Oc3ccccc3)cccc12 ZINC000013758730 562989071 /nfs/dbraw/zinc/98/90/71/562989071.db2.gz OEHVMHYVXINRBJ-UHFFFAOYSA-N -1 0 467.565 5.893 1 0 JKAFRM O=C([O-])/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCCc1ccccc1 ZINC000013758991 562989077 /nfs/dbraw/zinc/98/90/77/562989077.db2.gz ZBJZQPYWLMODSY-WYMLVPIESA-N -1 0 474.409 6.790 1 0 JKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000013761299 562989929 /nfs/dbraw/zinc/98/99/29/562989929.db2.gz JCPZFJQBHHGTLM-ZHACJKMWSA-N -1 0 466.324 6.568 1 0 JKAFRM CCCc1ccc(O[C@@H](C)c2ccc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)cc2)cc1 ZINC000013761804 562990192 /nfs/dbraw/zinc/99/01/92/562990192.db2.gz IVYWSSLSZIOHAO-NRFANRHFSA-N -1 0 469.581 6.830 1 0 JKAFRM O=C([O-])c1cc(Br)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12 ZINC000013779348 562991403 /nfs/dbraw/zinc/99/14/03/562991403.db2.gz GRXPSBPMPHAFEI-CSKARUKUSA-N -1 0 498.332 6.639 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2cc(OCc3ccccc3)ccc2-c2ccc(CC(C)C)cc2)c1C ZINC000013782464 562992585 /nfs/dbraw/zinc/99/25/85/562992585.db2.gz GUIBBUSDEQPUPN-UHFFFAOYSA-N -1 0 490.625 6.537 1 0 JKAFRM C[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804776 562994897 /nfs/dbraw/zinc/99/48/97/562994897.db2.gz LVXNVVZRNSMDMZ-HXUWFJFHSA-N -1 0 490.559 6.336 1 0 JKAFRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804765 562994960 /nfs/dbraw/zinc/99/49/60/562994960.db2.gz YVOBAAHJTNUEMA-FQEVSTJZSA-N -1 0 490.559 6.085 1 0 JKAFRM O=C([O-])CCCc1ccc(NC(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000013804879 562994989 /nfs/dbraw/zinc/99/49/89/562994989.db2.gz VAZMZVAQTRGQHQ-UHFFFAOYSA-N -1 0 454.526 5.402 1 0 JKAFRM C[C@@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804788 562995025 /nfs/dbraw/zinc/99/50/25/562995025.db2.gz ATPTYEVNGXTWTI-HXUWFJFHSA-N -1 0 490.559 6.336 1 0 JKAFRM O=C([O-])CCCc1ccc(NC(=O)c2ccc3cc(OCc4ccc5ccccc5n4)ccc3c2)cc1 ZINC000013804803 562995027 /nfs/dbraw/zinc/99/50/27/562995027.db2.gz SXHYJLCGLCKWHR-UHFFFAOYSA-N -1 0 490.559 6.627 1 0 JKAFRM O=C([O-])CCCc1ccc(C(=O)NCc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000013804893 562995058 /nfs/dbraw/zinc/99/50/58/562995058.db2.gz ASIJUEKTYNGSNT-UHFFFAOYSA-N -1 0 454.526 5.151 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)(C)C)cc2)c1Br ZINC000013815581 562996364 /nfs/dbraw/zinc/99/63/64/562996364.db2.gz JZKUOZZZEAJPGF-UHFFFAOYSA-N -1 0 498.424 5.158 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2CCc2ccc(C)cc2C)c1Br ZINC000013815857 562996463 /nfs/dbraw/zinc/99/64/63/562996463.db2.gz JLFJTRSJCFZVGY-UHFFFAOYSA-N -1 0 455.399 5.010 1 0 JKAFRM CC(C)(C)[C@@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834157 563000856 /nfs/dbraw/zinc/00/08/56/563000856.db2.gz FPCIJEPFMZVEHT-DEOSSOPVSA-N -1 0 455.554 6.844 1 0 JKAFRM C[S@](=O)[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834152 563000860 /nfs/dbraw/zinc/00/08/60/563000860.db2.gz ZHJHSGXDNPZKJI-DHYKOVJISA-N -1 0 461.539 5.134 1 0 JKAFRM O=C([O-])COc1cccc(C[C@H](CCCO)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834169 563000883 /nfs/dbraw/zinc/00/08/83/563000883.db2.gz DPSZXCJLCIRVHX-QHCPKHFHSA-N -1 0 457.526 5.571 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H](c2cccs2)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834161 563000887 /nfs/dbraw/zinc/00/08/87/563000887.db2.gz SKOLMDUCQCNBGG-DEOSSOPVSA-N -1 0 481.573 6.908 1 0 JKAFRM O=C([O-])CCCCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864230 563003785 /nfs/dbraw/zinc/00/37/85/563003785.db2.gz NWRLWBHHENCLKZ-UHFFFAOYSA-N -1 0 452.547 6.530 1 0 JKAFRM CCc1c(C)sc2nc(C3CC3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12 ZINC000013888864 563004271 /nfs/dbraw/zinc/00/42/71/563004271.db2.gz FHXNWZJLBWUUHJ-MMKWGKFASA-N -1 0 469.578 5.450 1 0 JKAFRM CC(C)c1nc2onc(-c3ccccc3)c2c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013889023 563004298 /nfs/dbraw/zinc/00/42/98/563004298.db2.gz YMQPJODVGJOVKE-DDVDASKDSA-N -1 0 490.531 5.419 1 0 JKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@@H](C(=O)[O-])c1ccccc1 ZINC000013892670 563004331 /nfs/dbraw/zinc/00/43/31/563004331.db2.gz IFUYEJOQMQZCAE-AREMUKBSSA-N -1 0 457.574 5.816 1 0 JKAFRM COc1ccc(OC)c(C(=O)C[C@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)c1 ZINC000013907048 563004436 /nfs/dbraw/zinc/00/44/36/563004436.db2.gz XPRUQENBEMZZHY-IBGZPJMESA-N -1 0 466.917 5.685 1 0 JKAFRM COc1ccc(OC)c(C(=O)C[C@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)[O-])c2)c1 ZINC000013907053 563004469 /nfs/dbraw/zinc/00/44/69/563004469.db2.gz FEFVKVHIBSYGCX-IBGZPJMESA-N -1 0 450.462 5.171 1 0 JKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000013915805 563004590 /nfs/dbraw/zinc/00/45/90/563004590.db2.gz LCFWOFKPFDWYLR-PKIAKLFDSA-N -1 0 488.753 8.598 1 0 JKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000013915812 563004600 /nfs/dbraw/zinc/00/46/00/563004600.db2.gz LCFWOFKPFDWYLR-BVXAZASISA-N -1 0 488.753 8.598 1 0 JKAFRM COc1ccc2c(c1)c(Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013919545 563004768 /nfs/dbraw/zinc/00/47/68/563004768.db2.gz QEAQRCMOQDLSRU-KRWDZBQOSA-N -1 0 477.944 5.743 1 0 JKAFRM Cc1cc2c(cc1[C@H](OCc1ccccc1F)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000014209232 563005570 /nfs/dbraw/zinc/00/55/70/563005570.db2.gz UCAUDVYVWVKLSE-HHHXNRCGSA-N -1 0 460.589 7.488 1 0 JKAFRM CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)[O-])c(CCCCC)c1 ZINC000014618068 563006048 /nfs/dbraw/zinc/00/60/48/563006048.db2.gz VZPLPGICHZXOCQ-UHFFFAOYSA-N -1 0 472.534 5.145 1 0 JKAFRM CO[C@@H]1C=C(CC/C=C(\C)CC/C=C(\C)CCC[C@H](C)C=C2OC(=O)C(C)=C2[O-])[C@@H](OC)O1 ZINC000014681608 563006174 /nfs/dbraw/zinc/00/61/74/563006174.db2.gz NOHWRIRNNOPMMP-NGPNTHFCSA-N -1 0 460.611 6.420 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc(C(=O)[O-])cc3)c2=O)cc1 ZINC000014963413 563008551 /nfs/dbraw/zinc/00/85/51/563008551.db2.gz BEOABKWPNCTOHA-UHFFFAOYSA-N -1 0 453.498 5.214 1 0 JKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(C(F)(F)F)c3)c2)c(Cl)c1 ZINC000014969220 563009545 /nfs/dbraw/zinc/00/95/45/563009545.db2.gz OMBBTXTWYKXWOJ-UHFFFAOYSA-N -1 0 457.231 6.804 1 0 JKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000014974399 563010190 /nfs/dbraw/zinc/01/01/90/563010190.db2.gz OMVIMIJGNZGGRI-DHIUTWEWSA-N -1 0 496.485 6.700 1 0 JKAFRM CCOc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])c(OC)c2)n1 ZINC000014977206 563010482 /nfs/dbraw/zinc/01/04/82/563010482.db2.gz WMOAALINFRTEGC-SFHVURJKSA-N -1 0 483.586 5.570 1 0 JKAFRM COc1cc(-c2nc3c(s2)CCCO3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977165 563010493 /nfs/dbraw/zinc/01/04/93/563010493.db2.gz NEKYUSPFTJAEJF-SFHVURJKSA-N -1 0 495.597 5.496 1 0 JKAFRM CC[C@@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c(-c3ccccc3)cc(=O)oc12 ZINC000015120531 563011168 /nfs/dbraw/zinc/01/11/68/563011168.db2.gz NTNREFYHTKELSQ-ZWUNQBBJSA-N -1 0 474.597 7.335 1 0 JKAFRM C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCc1ccoc1)COS(=O)(=O)[O-] ZINC000015266766 563011454 /nfs/dbraw/zinc/01/14/54/563011454.db2.gz OYRXLPLXKXDHJP-VTKNMLBTSA-N -1 0 452.657 6.617 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000025980356 563020919 /nfs/dbraw/zinc/02/09/19/563020919.db2.gz MIJYXULNPSFWEK-IBSLXNBYSA-N -1 0 456.711 7.234 3 0 in-vitro JKAFRM O=C([O-])CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc21 ZINC000025984716 563021095 /nfs/dbraw/zinc/02/10/95/563021095.db2.gz AIQVHEKDZNMUKX-UHFFFAOYSA-N -1 0 454.570 6.350 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC=C2CCn1cc(C(c2ccccc2)c2ccccc2)cn1 ZINC000026021091 563021926 /nfs/dbraw/zinc/02/19/26/563021926.db2.gz JXPPDPACPBMCMW-UHFFFAOYSA-N -1 0 464.565 5.947 1 0 JKAFRM CC(C)c1cccc2c(CC[C@H](O)/C=C/[C@H]3[C@H](O)C[C@H]4C/C(=C\CCCC(=O)[O-])C[C@H]43)ccc-2c1 ZINC000026159798 563022825 /nfs/dbraw/zinc/02/28/25/563022825.db2.gz WBDREHDVHQEEHI-LYTKHSLGSA-N -1 0 476.657 6.353 1 0 JKAFRM C[C@@H](c1ccc(F)cc1)c1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCC(=O)[O-])c1 ZINC000026178053 563023689 /nfs/dbraw/zinc/02/36/89/563023689.db2.gz CYLOKPKEVQTTCD-KRWDZBQOSA-N -1 0 489.996 5.169 1 0 JKAFRM CC(C)c1nn(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000026183248 563023854 /nfs/dbraw/zinc/02/38/54/563023854.db2.gz HGELKYSOZYITCG-MCBHFWOFSA-N -1 0 495.576 5.011 1 0 JKAFRM CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCCC(=O)[O-])c1ccccc1 ZINC000026296654 563026001 /nfs/dbraw/zinc/02/60/01/563026001.db2.gz FOOHZRDIAOMVJZ-HSZRJFAPSA-N -1 0 468.553 6.027 1 0 JKAFRM Nc1nc(-c2ccc3c(c2)/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N3)cs1 ZINC000026378362 563026339 /nfs/dbraw/zinc/02/63/39/563026339.db2.gz KQALMYPOYXGJBX-JYOAFUTRSA-N -1 0 493.180 5.116 1 0 JKAFRM O=C([O-])CCc1cccc(OCC[C@@H]2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1 ZINC000026401894 563027553 /nfs/dbraw/zinc/02/75/53/563027553.db2.gz XQYUPQYZKWHWNV-DEOSSOPVSA-N -1 0 465.933 5.121 1 0 JKAFRM C[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026568959 563029973 /nfs/dbraw/zinc/02/99/73/563029973.db2.gz BALJXMYQYWSAPU-NIYFSFCBSA-N -1 0 483.589 5.581 1 0 JKAFRM Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])ccc1Sc1nc2ccccc2s1 ZINC000026571203 563030062 /nfs/dbraw/zinc/03/00/62/563030062.db2.gz TXRBTOGSOZZLKW-UHFFFAOYSA-N -1 0 461.395 7.021 1 0 JKAFRM CCCN1c2ccccc2C(=O)N(CC(=O)[O-])c2cc(NC(=O)c3cccc4ccccc43)ccc21 ZINC000026575754 563030387 /nfs/dbraw/zinc/03/03/87/563030387.db2.gz ANAZUOVTIBXIDF-UHFFFAOYSA-N -1 0 479.536 5.685 1 0 JKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1CC1CCCCC1 ZINC000026575252 563030405 /nfs/dbraw/zinc/03/04/05/563030405.db2.gz KMCWZYIQXAUVMW-UHFFFAOYSA-N -1 0 452.938 5.802 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2-c2ccc(CCC(C)C)cc2C)c1Br ZINC000026579663 563031315 /nfs/dbraw/zinc/03/13/15/563031315.db2.gz WPTQKSYKUZJMAC-UHFFFAOYSA-N -1 0 483.453 6.172 1 0 JKAFRM CC[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000026720544 563033884 /nfs/dbraw/zinc/03/38/84/563033884.db2.gz CHEJVEBMEBWCAT-FQEVSTJZSA-N -1 0 462.493 5.387 1 0 JKAFRM Cc1cc(C)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c([C@@H](c2ccc(F)cc2)C2CCCCC2)c1 ZINC000026743748 563034861 /nfs/dbraw/zinc/03/48/61/563034861.db2.gz GVKPCBGAXFCUON-JQYIIUTOSA-N -1 0 458.570 5.120 1 0 JKAFRM CC(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC(=O)[O-] ZINC000026743713 563034877 /nfs/dbraw/zinc/03/48/77/563034877.db2.gz YCVXSUKICGGQBP-DHIUTWEWSA-N -1 0 470.512 5.388 1 0 JKAFRM C[C@H](Cc1cc(C(=O)[O-])co1)[C@]1(C)CC=C2C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000026836894 563036664 /nfs/dbraw/zinc/03/66/64/563036664.db2.gz ZOXJKPVAJZIFCN-XWOLDBMHSA-N -1 0 466.662 7.043 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(Cl)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026844816 563037072 /nfs/dbraw/zinc/03/70/72/563037072.db2.gz YLBMPGPOVSIENS-DICHFOODSA-N -1 0 489.140 7.720 1 0 JKAFRM CCCCc1ccc(/C=C/S(=O)(=O)[N-]c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000026937470 563037568 /nfs/dbraw/zinc/03/75/68/563037568.db2.gz NAOVXPYJAFBIBC-FMQUCBEESA-N -1 0 474.651 7.232 1 0 JKAFRM CCn1c2ccccc2c2cc([C@@H]3S[C@H](C)C(=O)N3[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc21 ZINC000026963334 563038202 /nfs/dbraw/zinc/03/82/02/563038202.db2.gz HACAKNDEZGBCMD-YZALXGLNSA-N -1 0 497.620 5.954 1 0 JKAFRM CNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026976922 563038555 /nfs/dbraw/zinc/03/85/55/563038555.db2.gz FEKVGWVOWVIKRL-UHFFFAOYSA-N -1 0 489.487 5.702 1 0 JKAFRM O=c1[n-]c(=O)n(C/C=C/c2cc(OCc3ccc(Cl)cc3)cc(OCc3ccc(Cl)cc3)c2)o1 ZINC000027098837 563039849 /nfs/dbraw/zinc/03/98/49/563039849.db2.gz XJUOMZRSEAYNFF-OWOJBTEDSA-N -1 0 499.350 5.720 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)C[C@@H]1c1ccccc1O ZINC000027102555 563040019 /nfs/dbraw/zinc/04/00/19/563040019.db2.gz UAFDHQXFOHBPKX-QALSPVHKSA-N -1 0 479.598 5.151 1 0 JKAFRM CCC1(CC)C(=O)N(C(=O)NCc2ccc(-c3ccccc3)cc2)[C@H]1Oc1ccc(CC(=O)[O-])cc1 ZINC000027207082 563041821 /nfs/dbraw/zinc/04/18/21/563041821.db2.gz CZYUBOJBBSLJDY-MHZLTWQESA-N -1 0 486.568 5.244 1 0 JKAFRM CCC1(CC)C(=O)N(C(=O)NCc2ccc(-c3ccccc3)cc2)[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000027212235 563042119 /nfs/dbraw/zinc/04/21/19/563042119.db2.gz CZHJMMBUULKIPM-SANMLTNESA-N -1 0 472.541 5.315 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@@H](SCc3ccccc3)C(=O)[O-])ccc2o1 ZINC000027301902 563042342 /nfs/dbraw/zinc/04/23/42/563042342.db2.gz VLOOERWRRKKQPE-HHHXNRCGSA-N -1 0 483.589 6.916 1 0 JKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@](COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)(CC(C)C)O2 ZINC000027426530 563043964 /nfs/dbraw/zinc/04/39/64/563043964.db2.gz HIKRPVCYHOKTNQ-AJTFRIOCSA-N -1 0 483.630 5.400 1 0 JKAFRM CC(C)(C)c1cc2c(cc1O)CC[C@](C)(CCOc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027426262 563043982 /nfs/dbraw/zinc/04/39/82/563043982.db2.gz PJMZZASXTKZGFG-BKMJKUGQSA-N -1 0 469.603 5.137 1 0 JKAFRM CCCCC1=NC(Cl)=C(C(=O)OCC)[C@H](C)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027527151 563045695 /nfs/dbraw/zinc/04/56/95/563045695.db2.gz VGOOFHONWNYJKR-KRWDZBQOSA-N -1 0 468.981 5.858 1 0 JKAFRM CCC[C@@H](CC)Nc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)[O-] ZINC000027549080 563045901 /nfs/dbraw/zinc/04/59/01/563045901.db2.gz OTAAXWMMBWBUQB-SXAWMYDMSA-N -1 0 468.623 5.148 1 0 JKAFRM CCCCCC[C@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCC)c1)c1ccccc1N1CCCCC1 ZINC000027561351 563046900 /nfs/dbraw/zinc/04/69/00/563046900.db2.gz QMYBRWCZVNOMMF-VWLOTQADSA-N -1 0 480.649 6.144 1 0 JKAFRM CCCCC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCC)c1)c1ccccc1N1CCCCC1 ZINC000027563865 563046981 /nfs/dbraw/zinc/04/69/81/563046981.db2.gz GKAFSANXAZVZGG-XMMPIXPASA-N -1 0 466.622 5.754 1 0 JKAFRM COc1ccc(C(=O)C[C@@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)[O-])c2)cc1OC ZINC000027638314 563047901 /nfs/dbraw/zinc/04/79/01/563047901.db2.gz WEUJYQCJGUHUEH-HXUWFJFHSA-N -1 0 450.462 5.171 1 0 JKAFRM CC(C)c1sc(-c2ccccc2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027637928 563047910 /nfs/dbraw/zinc/04/79/10/563047910.db2.gz JINWNWAVDADLDL-DDVDASKDSA-N -1 0 454.563 5.944 1 0 JKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)cc2c1 ZINC000027656807 563049221 /nfs/dbraw/zinc/04/92/21/563049221.db2.gz FXNZPKRQUYILLU-UHFFFAOYSA-N -1 0 476.924 5.219 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3cccc(OC)c3)c(=O)c2C(=O)[O-])cc1 ZINC000027657649 563049339 /nfs/dbraw/zinc/04/93/39/563049339.db2.gz RIFFDSDMNOJHIT-UHFFFAOYSA-N -1 0 455.466 5.178 1 0 JKAFRM CSc1ccccc1OC(C)(C)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027747123 563051183 /nfs/dbraw/zinc/05/11/83/563051183.db2.gz XXPWPQBCBTVEOV-DBIZQGMDSA-N -1 0 457.592 5.502 1 0 JKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@@H](C)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027751445 563051235 /nfs/dbraw/zinc/05/12/35/563051235.db2.gz STLMIGJZAOXUKB-OUPRXKBMSA-N -1 0 455.620 6.382 1 0 JKAFRM CC(C)(C)c1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)[O-])[C@@H](c3cccnc3)O2)cc1 ZINC000027758361 563051425 /nfs/dbraw/zinc/05/14/25/563051425.db2.gz OAJFPHGBJOCPCZ-CHPRZUGXSA-N -1 0 467.606 6.078 1 0 JKAFRM C[C@@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000027761549 563051446 /nfs/dbraw/zinc/05/14/46/563051446.db2.gz OKDODUJITAVGGA-BYGVMDBSSA-N -1 0 489.637 6.435 1 0 JKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2Cl)cc1-c1ccccc1C)C(=O)[O-] ZINC000027762809 563051455 /nfs/dbraw/zinc/05/14/55/563051455.db2.gz CHVJSILONSNEQT-UMESLIDUSA-N -1 0 481.017 5.817 1 0 JKAFRM CCCCc1nccn1Cc1ccc2oc(-c3ccccc3C(=O)[O-])c(Br)c2c1 ZINC000027763193 563051572 /nfs/dbraw/zinc/05/15/72/563051572.db2.gz AJAJODNYYIQAMB-UHFFFAOYSA-N -1 0 453.336 6.148 1 0 JKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncs2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027765796 563051575 /nfs/dbraw/zinc/05/15/75/563051575.db2.gz UKCWQHOIIOCHPE-GLJAUCNMSA-N -1 0 452.601 5.225 1 0 JKAFRM CCCC[C@H](C(=O)[O-])N1C(=O)[C@H](C)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846202 563051765 /nfs/dbraw/zinc/05/17/65/563051765.db2.gz STLMIGJZAOXUKB-VXWZWFMZSA-N -1 0 455.620 6.382 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc2c(c1)S[C@@](c1nnn[n-]1)(c1ccccc1)S2 ZINC000027851594 563051844 /nfs/dbraw/zinc/05/18/44/563051844.db2.gz MWNBFYOQHQZLGD-RUZDIDTESA-N -1 0 485.642 5.353 1 0 JKAFRM CC(C)c1ccc2c(C(=O)[O-])cc(-c3cccc(CCNS(=O)(=O)c4ccccc4)c3)c-2cc1 ZINC000027882564 563052713 /nfs/dbraw/zinc/05/27/13/563052713.db2.gz OWSOGLYYLMCOMG-UHFFFAOYSA-N -1 0 473.594 5.801 1 0 JKAFRM CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Sc3cccc(C(=O)[O-])c3)nc(N)c12 ZINC000027882667 563052725 /nfs/dbraw/zinc/05/27/25/563052725.db2.gz SEEHKTDKXHDIQU-UHFFFAOYSA-N -1 0 460.346 5.116 1 0 JKAFRM CCNc1nc(Sc2cccc(C(=O)[O-])c2)nc2c1c(CC)nn2-c1cc(Cl)cc(Cl)c1 ZINC000027891425 563052914 /nfs/dbraw/zinc/05/29/14/563052914.db2.gz BAAPQTQIYAEXDJ-UHFFFAOYSA-N -1 0 488.400 5.966 1 0 JKAFRM CCCc1nc(C(F)(F)C(F)(F)F)c(CO)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000028006730 563054592 /nfs/dbraw/zinc/05/45/92/563054592.db2.gz BWQWHWRKYRBCBU-UHFFFAOYSA-N -1 0 468.422 5.396 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC000028093180 563055764 /nfs/dbraw/zinc/05/57/64/563055764.db2.gz MEMSOGHDJLMQDL-RBUKOAKNSA-N -1 0 492.468 6.695 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCCC(=O)[O-])c(Cl)c1Cl ZINC000028097413 563055953 /nfs/dbraw/zinc/05/59/53/563055953.db2.gz UAGCAOFGPDUCEN-HOTGVXAUSA-N -1 0 452.403 5.962 1 0 JKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000028099116 563055977 /nfs/dbraw/zinc/05/59/77/563055977.db2.gz OYJUPKPIVBUVPA-VWLOTQADSA-N -1 0 496.567 5.709 1 0 JKAFRM O=C([O-])C[C@H]1CCCc2c3cc(F)ccc3n(Cc3cccc(CCCCCc4cccnc4)c3)c21 ZINC000028101284 563056060 /nfs/dbraw/zinc/05/60/60/563056060.db2.gz WTEIAUJWYKFJJY-RUZDIDTESA-N -1 0 484.615 7.074 1 0 JKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1 ZINC000028122017 563056817 /nfs/dbraw/zinc/05/68/17/563056817.db2.gz WHNJVGMJNZSPJJ-RUZDIDTESA-N -1 0 460.954 5.535 1 0 JKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1 ZINC000028122238 563056865 /nfs/dbraw/zinc/05/68/65/563056865.db2.gz WUWGFTGOXMGELJ-HXUWFJFHSA-N -1 0 460.832 5.255 1 0 JKAFRM CC(C)c1ccc2c(c1)c(-c1ccccc1)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000028130383 563057217 /nfs/dbraw/zinc/05/72/17/563057217.db2.gz CICDKQXQQLDOLA-UHFFFAOYSA-N -1 0 460.017 7.787 1 0 JKAFRM C[C@@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1 ZINC000028132639 563057422 /nfs/dbraw/zinc/05/74/22/563057422.db2.gz NYYTUEOWARPYTL-NRFANRHFSA-N -1 0 474.859 5.297 1 0 JKAFRM CCCc1c(OCCCSc2ccc([C@@H](O)[C@H](C)CC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000028241085 563058745 /nfs/dbraw/zinc/05/87/45/563058745.db2.gz YNHQJUJPBNEXHQ-GYCJOSAFSA-N -1 0 460.592 5.253 1 0 JKAFRM O=C([O-])CCc1ccccc1C[C@@H]1CCC[C@H]1c1nc(C(=O)NCc2ccc(Cl)cc2)co1 ZINC000028256845 563059232 /nfs/dbraw/zinc/05/92/32/563059232.db2.gz FXFUQACNHKFGPX-RBBKRZOGSA-N -1 0 466.965 5.402 1 0 JKAFRM O=C([O-])CCc1ccccc1C[C@@H]1CCC[C@@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000028259169 563059327 /nfs/dbraw/zinc/05/93/27/563059327.db2.gz REOJLAXLWPJOTB-DQEYMECFSA-N -1 0 480.649 6.299 1 0 JKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2sc3c(c2c1-c1ccc(F)cc1)CCCCC3 ZINC000028263234 563059429 /nfs/dbraw/zinc/05/94/29/563059429.db2.gz SHIJAHGJTDIOMQ-OKLSWEBGSA-N -1 0 495.616 5.849 1 0 JKAFRM COc1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@@H](C(=O)[O-])C3)c2)cc1C(F)(F)F ZINC000028349152 563061001 /nfs/dbraw/zinc/06/10/01/563061001.db2.gz BPJSFBIYRVIFEZ-GOSISDBHSA-N -1 0 488.531 6.228 1 0 JKAFRM C[C@@H]1C[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)[O-])cs2)CC(C)(C)C1 ZINC000028352358 563061148 /nfs/dbraw/zinc/06/11/48/563061148.db2.gz AIWFITKJNIZIRH-IEBWSBKVSA-N -1 0 464.587 6.495 1 0 JKAFRM O=C([O-])C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc2ccccc2c1 ZINC000028389832 563063499 /nfs/dbraw/zinc/06/34/99/563063499.db2.gz MDGSJXNNVZDXCV-AREMUKBSSA-N -1 0 485.628 5.413 1 0 JKAFRM CCc1ccccc1C(=O)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)[O-] ZINC000028466194 563065020 /nfs/dbraw/zinc/06/50/20/563065020.db2.gz VZRSSUDFYGHOHX-QNGOZBTKSA-N -1 0 466.331 5.659 1 0 JKAFRM COc1ccc([C@H](CC(=O)[O-])n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)cc1 ZINC000028472108 563065551 /nfs/dbraw/zinc/06/55/51/563065551.db2.gz NXFFLBNDPLJURV-SANMLTNESA-N -1 0 471.557 5.089 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCC=C[C@]2(O)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000028473879 563065733 /nfs/dbraw/zinc/06/57/33/563065733.db2.gz REXBLQIJXAULOT-QABMSTFYSA-N -1 0 481.548 5.869 1 0 JKAFRM O=C([O-])C[C@@H](c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474161 563065802 /nfs/dbraw/zinc/06/58/02/563065802.db2.gz ICALNGJCZQBZDD-NDEPHWFRSA-N -1 0 492.579 5.628 1 0 JKAFRM COc1ccc(-n2c(C)c(Cc3cccc(O[C@@H](C)C(=O)[O-])c3)c3cc(OC(F)(F)F)ccc32)cc1 ZINC000028474140 563065823 /nfs/dbraw/zinc/06/58/23/563065823.db2.gz WASROFIOUZGJFW-KRWDZBQOSA-N -1 0 499.485 6.289 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2c(F)cccc2Br)cc1)NC(=O)c1ccccc1 ZINC000028475708 563065861 /nfs/dbraw/zinc/06/58/61/563065861.db2.gz NMNNDISCDSODGD-UYRXBGFRSA-N -1 0 456.267 5.236 1 0 JKAFRM Cc1cc(O)ccc1-c1cccc(C(=O)CC[C@H]2CCCC(=O)N2CCCCCCC(=O)[O-])c1 ZINC000028476628 563065968 /nfs/dbraw/zinc/06/59/68/563065968.db2.gz AOXJIHSGSFPGMK-HSZRJFAPSA-N -1 0 465.590 5.747 1 0 JKAFRM Nc1ccc(Oc2ccc(/C=C(\NC(=O)CCC3CCCC3)C(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000028520737 563066201 /nfs/dbraw/zinc/06/62/01/563066201.db2.gz JJPVVTHIKUZJTK-MOSHPQCFSA-N -1 0 462.468 5.592 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)CC1CCCCC1 ZINC000028521240 563066328 /nfs/dbraw/zinc/06/63/28/563066328.db2.gz SGFVCBBWWOTNEQ-ZHZULCJRSA-N -1 0 458.352 5.754 1 0 JKAFRM Cc1ccc(CCC(=O)N/C(=C\c2ccc(Oc3ccccc3Br)cc2)C(=O)[O-])cc1 ZINC000028521948 563066532 /nfs/dbraw/zinc/06/65/32/563066532.db2.gz RRXXFPKQBZUTAB-JWGURIENSA-N -1 0 480.358 5.724 1 0 JKAFRM COc1ccc(NC(=O)/C=C/c2ccc(-c3nc4cc(CC(=O)[O-])ccc4o3)c(F)c2)c(F)c1 ZINC000028524658 563067239 /nfs/dbraw/zinc/06/72/39/563067239.db2.gz MBWMJDMLSYXHCR-RUDMXATFSA-N -1 0 464.424 5.061 1 0 JKAFRM COc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(-c4csc(CC(=O)[O-])n4)o3)c(Cl)c2)cc1 ZINC000028524978 563067394 /nfs/dbraw/zinc/06/73/94/563067394.db2.gz MBJLVXKBXGFRSK-NYYWCZLTSA-N -1 0 494.956 6.011 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)Cc4ccc(Br)cc4)cc3Cl)nc2c1 ZINC000028525618 563067670 /nfs/dbraw/zinc/06/76/70/563067670.db2.gz FGXJNAHRTAVXOB-UHFFFAOYSA-N -1 0 499.748 5.719 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)c(F)c3)nc2c1 ZINC000028525517 563067677 /nfs/dbraw/zinc/06/76/77/563067677.db2.gz NWELGKUGKLYTSH-ONNFQVAWSA-N -1 0 450.853 5.566 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Cl)c4F)c(F)c3)nc2c1 ZINC000028525599 563067679 /nfs/dbraw/zinc/06/76/79/563067679.db2.gz JVUXTSUDSGXBII-RMKNXTFCSA-N -1 0 468.843 5.705 1 0 JKAFRM O=C([O-])C(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc32)c(Cl)c1 ZINC000028527051 563068093 /nfs/dbraw/zinc/06/80/93/563068093.db2.gz BPNAEYPMWGNDGQ-UHFFFAOYSA-N -1 0 455.091 5.305 1 0 JKAFRM CC(C)c1cccc(Oc2c3ccc(Cl)cc3n(-c3ccc(C(C)(C)C)cc3)c2C(=O)[O-])c1 ZINC000028527502 563068181 /nfs/dbraw/zinc/06/81/81/563068181.db2.gz JHBJSRHKGJUACC-UHFFFAOYSA-N -1 0 461.989 8.195 1 0 JKAFRM CC(C)(C)c1ccc(-n2c3nc(Cl)ccc3c(Oc3cccc(S(C)(=O)=O)c3)c2C(=O)[O-])cc1 ZINC000028528173 563068269 /nfs/dbraw/zinc/06/82/69/563068269.db2.gz LXWABPJZDSGODV-UHFFFAOYSA-N -1 0 498.988 5.870 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3-c3ccccc3)ccc21 ZINC000028563320 563068991 /nfs/dbraw/zinc/06/89/91/563068991.db2.gz QZUUHGLXJRUESM-AHWVRZQESA-N -1 0 467.565 6.771 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCn3nc(-c4ccccc4)c4ccccc4c3=O)ccc21 ZINC000028563361 563068996 /nfs/dbraw/zinc/06/89/96/563068996.db2.gz LDRRSCQYFXFHBF-UPVQGACJSA-N -1 0 468.553 5.283 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCn3nc(-c4ccccc4)c4ccccc4c3=O)ccc21 ZINC000028563363 563068997 /nfs/dbraw/zinc/06/89/97/563068997.db2.gz LDRRSCQYFXFHBF-VWNXMTODSA-N -1 0 468.553 5.283 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)c(Cl)c4)oc3C)ccc21 ZINC000028563719 563069054 /nfs/dbraw/zinc/06/90/54/563069054.db2.gz SJYFDJBDUNUHJQ-UYAOXDASSA-N -1 0 474.384 6.719 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)ccc21 ZINC000028565567 563069366 /nfs/dbraw/zinc/06/93/66/563069366.db2.gz HHYHQMCULLJUOU-IRLDBZIGSA-N -1 0 473.491 6.431 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(COc4ccc(Cl)cc4)oc3C)ccc21 ZINC000028565359 563069398 /nfs/dbraw/zinc/06/93/98/563069398.db2.gz IZISSIGDVNWEKJ-GMAHTHKFSA-N -1 0 469.965 5.978 1 0 JKAFRM O=C1OC(=Cc2cccc(C(F)(F)F)c2Cl)C([O-])=C1c1ccc(-c2ccccc2)c(F)c1 ZINC000028565440 563069417 /nfs/dbraw/zinc/06/94/17/563069417.db2.gz CSKFMQQWOJPLTA-UNOMPAQXSA-N -1 0 460.810 7.032 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)ccc21 ZINC000028565565 563069436 /nfs/dbraw/zinc/06/94/36/563069436.db2.gz HHYHQMCULLJUOU-UNMCSNQZSA-N -1 0 473.491 6.431 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)ccc21 ZINC000028565672 563069472 /nfs/dbraw/zinc/06/94/72/563069472.db2.gz LVCWAOJIQPHHLA-IFMALSPDSA-N -1 0 473.491 6.431 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)c(Cl)c4)oc3C)ccc21 ZINC000028565849 563069484 /nfs/dbraw/zinc/06/94/84/563069484.db2.gz SJYFDJBDUNUHJQ-QUCCMNQESA-N -1 0 474.384 6.719 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(OC)c(OC)c4)oc3C)ccc21 ZINC000028565899 563069492 /nfs/dbraw/zinc/06/94/92/563069492.db2.gz JNDFJWWAPSRXSK-IRLDBZIGSA-N -1 0 465.546 5.429 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21 ZINC000028565968 563069495 /nfs/dbraw/zinc/06/94/95/563069495.db2.gz VDMPSLVDONBYIE-FPOVZHCZSA-N -1 0 473.491 6.513 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)ccc21 ZINC000028565666 563069514 /nfs/dbraw/zinc/06/95/14/563069514.db2.gz LVCWAOJIQPHHLA-UNMCSNQZSA-N -1 0 473.491 6.431 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)ccc21 ZINC000028565987 563069561 /nfs/dbraw/zinc/06/95/61/563069561.db2.gz NITIDRCXHQKKIF-XTEPFMGCSA-N -1 0 481.592 7.079 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)ccc21 ZINC000028565983 563069574 /nfs/dbraw/zinc/06/95/74/563069574.db2.gz NITIDRCXHQKKIF-XCZPVHLTSA-N -1 0 481.592 7.079 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cccc5ccccc54)oc3C)ccc21 ZINC000028566005 563069595 /nfs/dbraw/zinc/06/95/95/563069595.db2.gz RLGDPPYJQMPBGX-DHLKQENFSA-N -1 0 455.554 6.565 1 0 JKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)C1C(=O)OC/C=C/c1ccc(Cl)cc1 ZINC000028568467 563070062 /nfs/dbraw/zinc/07/00/62/563070062.db2.gz NKXFPVXTCCYNJK-GRFMIUQQSA-N -1 0 458.341 6.410 1 0 JKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(Cl)c2)C1C(=O)OCC=C(c1ccccc1)c1ccccc1 ZINC000028568604 563070097 /nfs/dbraw/zinc/07/00/97/563070097.db2.gz GFNXRIFKRJYOHV-KRMIOCCOSA-N -1 0 499.994 7.175 1 0 JKAFRM CCCCC(=O)Nc1onc(C(C)C)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569407 563070374 /nfs/dbraw/zinc/07/03/74/563070374.db2.gz AITHMULMPIQCKA-UHFFFAOYSA-N -1 0 452.395 5.906 1 0 JKAFRM CO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccc(Br)cc3)cc2)cc1)C(=O)[O-] ZINC000028569610 563070451 /nfs/dbraw/zinc/07/04/51/563070451.db2.gz OIQBPCPWEFWAJG-DEOSSOPVSA-N -1 0 485.374 5.606 1 0 JKAFRM CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028571728 563071049 /nfs/dbraw/zinc/07/10/49/563071049.db2.gz SGYYFIRXDUVJLR-HHHXNRCGSA-N -1 0 486.967 7.163 1 0 JKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1)C(=O)[O-] ZINC000028571454 563071057 /nfs/dbraw/zinc/07/10/57/563071057.db2.gz RFDJLVVGZMAGPH-DEOSSOPVSA-N -1 0 478.463 5.703 1 0 JKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028571729 563071091 /nfs/dbraw/zinc/07/10/91/563071091.db2.gz SGYYFIRXDUVJLR-MHZLTWQESA-N -1 0 486.967 7.163 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C1CCC1 ZINC000028571391 563071099 /nfs/dbraw/zinc/07/10/99/563071099.db2.gz GNUXGVDZLWXMPV-VWLOTQADSA-N -1 0 498.978 7.163 1 0 JKAFRM CC(C)(Oc1ccccc1OCCCOc1ccc(Oc2ccc(F)cc2)cc1Cl)C(=O)[O-] ZINC000028572084 563071284 /nfs/dbraw/zinc/07/12/84/563071284.db2.gz LKQDKZCDKAHVHU-UHFFFAOYSA-N -1 0 474.912 6.361 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)[O-] ZINC000028634674 563071785 /nfs/dbraw/zinc/07/17/85/563071785.db2.gz UILQHUKSFUOOLH-ZTNMOOMISA-N -1 0 456.711 7.400 1 0 JKAFRM CCCCCCOc1ccc(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000028652261 563073948 /nfs/dbraw/zinc/07/39/48/563073948.db2.gz HXLPZGNZHMZDIY-LJQANCHMSA-N -1 0 479.539 6.248 1 0 JKAFRM CCCCOc1ccc(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028652283 563074097 /nfs/dbraw/zinc/07/40/97/563074097.db2.gz AJSFKATVCYWKJN-MRXNPFEDSA-N -1 0 469.475 5.607 1 0 JKAFRM Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(C(=O)[O-])cc1)CCN(C1CCCCC1)C2=O ZINC000028706507 563075479 /nfs/dbraw/zinc/07/54/79/563075479.db2.gz YMECBHZDWSYBIQ-UHFFFAOYSA-N -1 0 497.422 6.789 1 0 JKAFRM Cc1cc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000028710192 563076095 /nfs/dbraw/zinc/07/60/95/563076095.db2.gz IYNGJYKTRDXUDJ-UHFFFAOYSA-N -1 0 484.521 5.946 1 0 JKAFRM CC1=C2C=C(C(=O)[O-])CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H](C(=O)c4cccc5ccccc54)CC[C@H]3[C@@H]2C1 ZINC000028761214 563078213 /nfs/dbraw/zinc/07/82/13/563078213.db2.gz HYWSTOHRELDBBD-HIFXJWLPSA-N -1 0 468.637 7.613 1 0 JKAFRM O=c1c(-c2ccccc2)c([O-])c2sccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028760895 563078228 /nfs/dbraw/zinc/07/82/28/563078228.db2.gz FLGYVXAXNBHIQV-UHFFFAOYSA-N -1 0 477.549 5.331 1 0 JKAFRM CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(OCc2ccccc2C(=O)[O-])cc1 ZINC000028763152 563078412 /nfs/dbraw/zinc/07/84/12/563078412.db2.gz LYGOGDPXOMDJJQ-UHFFFAOYSA-N -1 0 470.953 5.268 1 0 JKAFRM COc1cccc(Cn2nc(-c3ccccc3)c(Cc3cc4c(cc3Cl)OCO4)c2C(=O)[O-])c1 ZINC000028765882 563078704 /nfs/dbraw/zinc/07/87/04/563078704.db2.gz FGOULBWWTIMGSP-UHFFFAOYSA-N -1 0 476.916 5.278 1 0 JKAFRM CS(=O)(=O)c1ccc(OCc2ccc(F)cc2F)c(C2=C(c3cccc(C(=O)[O-])c3)CCC2)c1 ZINC000028819266 563080380 /nfs/dbraw/zinc/08/03/80/563080380.db2.gz JFVQDLPHYADOEB-UHFFFAOYSA-N -1 0 484.520 5.740 1 0 JKAFRM CCO[C@H](Cc1ccc(CC[C@@H](OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028821983 563080890 /nfs/dbraw/zinc/08/08/90/563080890.db2.gz SEKXQBPSFURDHT-CLJLJLNGSA-N -1 0 477.626 5.484 1 0 JKAFRM CCO[C@@H](Cc1ccc(CC[C@@H](OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(=O)[O-] ZINC000028822020 563080916 /nfs/dbraw/zinc/08/09/16/563080916.db2.gz RGZOJUIBEVPUBK-FTJBHMTQSA-N -1 0 483.674 5.864 1 0 JKAFRM O=C([O-])Cc1csc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12 ZINC000028822714 563081215 /nfs/dbraw/zinc/08/12/15/563081215.db2.gz AGRKTWIASZYTNW-UHFFFAOYSA-N -1 0 472.484 6.705 1 0 JKAFRM CNc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824032 563081697 /nfs/dbraw/zinc/08/16/97/563081697.db2.gz WTZZZXPLWZFCHF-UHFFFAOYSA-N -1 0 467.613 7.026 1 0 JKAFRM O=C([O-])COc1c(O)cc(-c2ccc(C(F)(F)F)cc2)cc1OCc1ccc(C(F)(F)F)cc1 ZINC000028825962 563082243 /nfs/dbraw/zinc/08/22/43/563082243.db2.gz VEHIDJYYFFEDCM-UHFFFAOYSA-N -1 0 486.364 6.139 1 0 JKAFRM Cc1c2cc(Cl)ccc2n(C)c1C(=O)NCc1cccc(Oc2ccc(CCC(=O)[O-])c(C)c2)c1 ZINC000028825491 563082253 /nfs/dbraw/zinc/08/22/53/563082253.db2.gz SYVYIPUEDUCDLG-UHFFFAOYSA-N -1 0 490.987 6.188 1 0 JKAFRM O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028870719 563084247 /nfs/dbraw/zinc/08/42/47/563084247.db2.gz HXMJWDLWJXGTOI-UHFFFAOYSA-N -1 0 499.759 5.429 1 0 JKAFRM C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028878875 563084659 /nfs/dbraw/zinc/08/46/59/563084659.db2.gz JRHMEMQDNXZMTR-NUMKNYEMSA-N -1 0 462.428 5.796 1 0 JKAFRM Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2-c2ccccn2)ccc1CCC(=O)[O-] ZINC000028890943 563085099 /nfs/dbraw/zinc/08/50/99/563085099.db2.gz AIUXBXGPPYWHFP-GOSISDBHSA-N -1 0 473.491 6.329 1 0 JKAFRM CCc1ccc(-c2ncc(F)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)cc1 ZINC000028891599 563085168 /nfs/dbraw/zinc/08/51/68/563085168.db2.gz FNNZTVNFLDAFQT-NRFANRHFSA-N -1 0 463.553 5.255 1 0 JKAFRM Cc1cnc(-c2ccc(Cl)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028891521 563085171 /nfs/dbraw/zinc/08/51/71/563085171.db2.gz FOAUKKBPDSSNHX-FQEVSTJZSA-N -1 0 465.981 5.515 1 0 JKAFRM Cc1cnc(-c2ccc(C(C)(C)C)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028891492 563085191 /nfs/dbraw/zinc/08/51/91/563085191.db2.gz YYSQBOCFMKFZAV-QHCPKHFHSA-N -1 0 487.644 6.159 1 0 JKAFRM CC(=O)c1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)cc1 ZINC000028891508 563085192 /nfs/dbraw/zinc/08/51/92/563085192.db2.gz FDRDRHHYFPKVJS-QHCPKHFHSA-N -1 0 473.573 5.064 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccc(F)cc3o2)c1)C(=O)[O-] ZINC000028900673 563085998 /nfs/dbraw/zinc/08/59/98/563085998.db2.gz APAKBHWQTPHETC-XMMPIXPASA-N -1 0 478.520 5.685 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccc(F)cc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900750 563086007 /nfs/dbraw/zinc/08/60/07/563086007.db2.gz FEIXPYZPYIUNRN-XMMPIXPASA-N -1 0 478.520 5.685 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccc(O)cc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900866 563086099 /nfs/dbraw/zinc/08/60/99/563086099.db2.gz CHQISOITIMKMGJ-DEOSSOPVSA-N -1 0 476.529 5.251 1 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC3CCCC3)cc(OC3CCCC3)c2)cc1)C(=O)[O-] ZINC000028948819 563086635 /nfs/dbraw/zinc/08/66/35/563086635.db2.gz NFNUTCDJMMLZMX-CJXXQJBOSA-N -1 0 494.628 6.454 1 0 JKAFRM O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCF)c1 ZINC000028948707 563086663 /nfs/dbraw/zinc/08/66/63/563086663.db2.gz BTCDYNBRQIAZPE-UHFFFAOYSA-N -1 0 492.550 6.984 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@@H]4C[C@H]4C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952173 563087375 /nfs/dbraw/zinc/08/73/75/563087375.db2.gz HINFJNJYAGNCSO-FUHWJXTLSA-N -1 0 461.480 5.783 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@H]4C[C@@H]4C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952171 563087376 /nfs/dbraw/zinc/08/73/76/563087376.db2.gz HINFJNJYAGNCSO-AEFFLSMTSA-N -1 0 461.480 5.783 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@@H](C)CC(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952202 563087380 /nfs/dbraw/zinc/08/73/80/563087380.db2.gz PHRURZQTGOTHBJ-AWEZNQCLSA-N -1 0 463.496 6.173 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C(C)=C/C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952161 563087395 /nfs/dbraw/zinc/08/73/95/563087395.db2.gz XLLSACQPXSUEHF-GXDHUFHOSA-N -1 0 461.480 6.083 1 0 JKAFRM Cc1cc2c(cc1-c1cc([C@@H]3C[C@@H]3C(=O)[O-])ccc1OCC(F)(F)F)N(C)C(=O)CC2(C)C ZINC000028952285 563087469 /nfs/dbraw/zinc/08/74/69/563087469.db2.gz ICPNIFOBOKKLKY-WMZOPIPTSA-N -1 0 461.480 5.435 1 0 JKAFRM Cc1cc2c(cc1-c1cc([C@H]3C[C@@H]3C(=O)[O-])ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952281 563087476 /nfs/dbraw/zinc/08/74/76/563087476.db2.gz NFXPYYBQFZMOPD-MJGOQNOKSA-N -1 0 475.507 6.171 1 0 JKAFRM Cc1cc2c(cc1-c1cc([C@H]3C[C@H]3C(=O)[O-])ccc1OCC(F)(F)F)N(C)C(=O)CC2(C)C ZINC000028952291 563087482 /nfs/dbraw/zinc/08/74/82/563087482.db2.gz ICPNIFOBOKKLKY-SJLPKXTDSA-N -1 0 461.480 5.435 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)[O-])ccc3OCC(F)(F)F)cc21 ZINC000028952475 563087565 /nfs/dbraw/zinc/08/75/65/563087565.db2.gz DXRZIQJDJBTQMU-VQHVLOKHSA-N -1 0 461.480 5.735 1 0 JKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3cccc(C)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028962761 563089119 /nfs/dbraw/zinc/08/91/19/563089119.db2.gz UZCIUKFEIOCAOC-QFIPXVFZSA-N -1 0 481.379 6.574 1 0 in-vitro JKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3ccccc3OC)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962540 563089127 /nfs/dbraw/zinc/08/91/27/563089127.db2.gz GNFBSDCACDEHNE-QHCPKHFHSA-N -1 0 462.933 5.621 1 0 JKAFRM O=C(c1ccc(Br)cc1[N-]S(=O)(=O)c1csc2ccccc21)N1CCCCC1 ZINC000028969412 563089592 /nfs/dbraw/zinc/08/95/92/563089592.db2.gz PZANVDQHHJDIHD-UHFFFAOYSA-N -1 0 479.421 5.091 1 0 JKAFRM CCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971957 563089675 /nfs/dbraw/zinc/08/96/75/563089675.db2.gz PWWVAJIRZRPBSD-GOSISDBHSA-N -1 0 496.551 5.952 1 0 JKAFRM CCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971993 563089714 /nfs/dbraw/zinc/08/97/14/563089714.db2.gz YNHXCDQEDSNQCZ-HSZRJFAPSA-N -1 0 468.663 6.567 1 0 JKAFRM CCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971998 563089716 /nfs/dbraw/zinc/08/97/16/563089716.db2.gz YNHXCDQEDSNQCZ-QHCPKHFHSA-N -1 0 468.663 6.567 1 0 JKAFRM CCCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972083 563089770 /nfs/dbraw/zinc/08/97/70/563089770.db2.gz HKRMDWUCOQXZDW-VWLOTQADSA-N -1 0 496.717 7.347 1 0 JKAFRM C/C(=C\CC[C@@H](CCCc1ccoc1)COS(=O)(=O)[O-])CC[C@@H]1C(C)=CCCC1(C)C ZINC000028973316 563089861 /nfs/dbraw/zinc/08/98/61/563089861.db2.gz MSQUWENCRGKHFA-VFXSEPTMSA-N -1 0 452.657 6.927 1 0 JKAFRM C/C(=C\CC[C@H](CCCc1ccoc1)COS(=O)(=O)[O-])CC[C@H]1C(C)=CCCC1(C)C ZINC000028973329 563089862 /nfs/dbraw/zinc/08/98/62/563089862.db2.gz MSQUWENCRGKHFA-IRXJTFMESA-N -1 0 452.657 6.927 1 0 JKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccc([C@@H]4C[C@H]4C(=O)[O-])cc3)c2)c1)S(C)(=O)=O ZINC000029037787 563090575 /nfs/dbraw/zinc/09/05/75/563090575.db2.gz LWGNZANWYDVSLC-AZGAKELHSA-N -1 0 485.605 6.037 1 0 JKAFRM Cc1cc(SCCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029057646 563093631 /nfs/dbraw/zinc/09/36/31/563093631.db2.gz XUVDMXADPOOBLU-UHFFFAOYSA-N -1 0 483.442 6.397 1 0 JKAFRM Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)c(F)c3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029057355 563093676 /nfs/dbraw/zinc/09/36/76/563093676.db2.gz CDJKDOSGYKWWNE-UHFFFAOYSA-N -1 0 470.444 5.492 1 0 JKAFRM Cc1cc(SCc2nsc(-c3ccc(Cl)c(Cl)c3)n2)ccc1OC(C)(C)C(=O)[O-] ZINC000029057804 563093690 /nfs/dbraw/zinc/09/36/90/563093690.db2.gz CNVRDVOBJOCIQM-UHFFFAOYSA-N -1 0 469.415 6.355 1 0 JKAFRM Cc1cc(SCc2nc(-c3ccc(C(F)(F)F)c(F)c3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029058367 563093756 /nfs/dbraw/zinc/09/37/56/563093756.db2.gz WFAIISYMDNEHFI-UHFFFAOYSA-N -1 0 486.512 6.206 1 0 JKAFRM COc1ccc(C[C@@H](C)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000029127222 563095479 /nfs/dbraw/zinc/09/54/79/563095479.db2.gz BAMPTNHBDXHDRO-HUZOGFBVSA-N -1 0 461.602 5.356 1 0 JKAFRM CC(C)Cc1ccc([C@H](C)Oc2ccc(C(=O)N3C[C@H](CCCC(=O)[O-])c4ccccc43)cc2)cc1 ZINC000029319857 563100153 /nfs/dbraw/zinc/10/01/53/563100153.db2.gz MGTQWDJEFUTOBO-NVQXNPDNSA-N -1 0 485.624 7.024 1 0 JKAFRM CC(C)Cc1ccc([C@@H](C)Oc2ccc(C(=O)N3C[C@@H](CCCC(=O)[O-])c4ccccc43)cc2)cc1 ZINC000029319843 563100173 /nfs/dbraw/zinc/10/01/73/563100173.db2.gz MGTQWDJEFUTOBO-ATIYNZHBSA-N -1 0 485.624 7.024 1 0 JKAFRM Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCC[C@@H]2OC(=O)[N-]C2=O)cc1 ZINC000029322168 563100260 /nfs/dbraw/zinc/10/02/60/563100260.db2.gz NGEWWIJZVIMWJG-DEOSSOPVSA-N -1 0 456.498 5.340 1 0 JKAFRM CCCCC[C@H](CCCOC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000029325151 563100427 /nfs/dbraw/zinc/10/04/27/563100427.db2.gz IUEZBXDATYBWIN-DNVCBOLYSA-N -1 0 460.398 5.149 1 0 JKAFRM Cc1sc(-c2ccc3ccccc3c2)nc1CCOc1ccc(C[C@H]2OC(=O)[N-]C2=O)cc1 ZINC000029330180 563100571 /nfs/dbraw/zinc/10/05/71/563100571.db2.gz HAJMTIRYKAHKGV-HSZRJFAPSA-N -1 0 458.539 5.071 1 0 JKAFRM Cc1sc(-c2ccc3ccccc3c2)nc1CCOc1ccc(C[C@@H]2OC(=O)[N-]C2=O)cc1 ZINC000029330175 563100576 /nfs/dbraw/zinc/10/05/76/563100576.db2.gz HAJMTIRYKAHKGV-QHCPKHFHSA-N -1 0 458.539 5.071 1 0 JKAFRM CCCc1c(OCCCSc2ccc([C@H](O)[C@H](C)CC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000029337514 563100807 /nfs/dbraw/zinc/10/08/07/563100807.db2.gz YNHQJUJPBNEXHQ-VOIUYBSRSA-N -1 0 460.592 5.253 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCSc1ccc(C(=O)CCC(=O)[O-])c(F)c1 ZINC000029344844 563101267 /nfs/dbraw/zinc/10/12/67/563101267.db2.gz UNHYSJDWSGETTI-UHFFFAOYSA-N -1 0 462.539 5.295 1 0 JKAFRM CCCc1nc(N(CCC)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)sc1C(=O)[O-] ZINC000029409388 563103092 /nfs/dbraw/zinc/10/30/92/563103092.db2.gz TXMIYSPRXNTDDM-UHFFFAOYSA-N -1 0 462.579 5.058 1 0 JKAFRM CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)[O-])c-2cc1 ZINC000029411080 563103214 /nfs/dbraw/zinc/10/32/14/563103214.db2.gz SIVYMNIEVODPNT-UHFFFAOYSA-N -1 0 496.050 5.580 1 0 JKAFRM CCCCC1=N[C@@](CC)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029412411 563103395 /nfs/dbraw/zinc/10/33/95/563103395.db2.gz BBSMJWBAZLIZEK-LJAQVGFWSA-N -1 0 460.618 6.712 1 0 JKAFRM CCCCc1ccc(NC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Br)cc1 ZINC000029413214 563103438 /nfs/dbraw/zinc/10/34/38/563103438.db2.gz BUPZNIYUBICILZ-UHFFFAOYSA-N -1 0 498.424 5.203 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc21 ZINC000029473878 563104721 /nfs/dbraw/zinc/10/47/21/563104721.db2.gz WGEHXLYONXYVNF-UHFFFAOYSA-N -1 0 482.458 5.596 1 0 JKAFRM C=C(C(=O)N1C[C@@H]2[C@](C(=O)[O-])(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21)c1ccccc1OC ZINC000029480320 563105268 /nfs/dbraw/zinc/10/52/68/563105268.db2.gz UMLXJXCOOBRTMY-XSVIJKGOSA-N -1 0 479.576 5.115 1 0 JKAFRM CCCc1c(OCCCCCOc2ccc3c(c2C(C)=O)O[C@@H](C(=O)[O-])CC3)ccc(C(C)=O)c1O ZINC000029544578 563105816 /nfs/dbraw/zinc/10/58/16/563105816.db2.gz ICXPAHSYQZVIKF-XMMPIXPASA-N -1 0 498.572 5.156 1 0 JKAFRM Cc1oc(-c2ccc3ccccc3c2)nc1CCC(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029489789 563105829 /nfs/dbraw/zinc/10/58/29/563105829.db2.gz FFLVILBRPVTHGR-XMMPIXPASA-N -1 0 470.550 5.513 1 0 JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4[C@@H](C)[C@H](C)CC[C@@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000029544478 563105863 /nfs/dbraw/zinc/10/58/63/563105863.db2.gz PHFUCJXOLZAQNH-BBFMPSLLSA-N -1 0 498.748 7.660 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1cc2c(cc1Cl)CC[C@H](C(=O)[O-])O2 ZINC000029544653 563105870 /nfs/dbraw/zinc/10/58/70/563105870.db2.gz VYTHVIPQCYAOCX-JOCHJYFZSA-N -1 0 490.980 5.607 1 0 JKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCC(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)s1 ZINC000029547737 563105982 /nfs/dbraw/zinc/10/59/82/563105982.db2.gz OMEORGGCISNXKW-SFHVURJKSA-N -1 0 494.516 5.440 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000029553197 563106451 /nfs/dbraw/zinc/10/64/51/563106451.db2.gz GMYJAKLQPZGTFL-XRLIABMNSA-N -1 0 470.694 6.701 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@@]3(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C ZINC000032052766 563109425 /nfs/dbraw/zinc/10/94/25/563109425.db2.gz XMOMYSSKYVFTKO-LNVXMQETSA-N -1 0 454.695 7.154 1 0 in-vitro JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000032296198 563109719 /nfs/dbraw/zinc/10/97/19/563109719.db2.gz JZFSMVXQUWRSIW-IHSKASNOSA-N -1 0 456.711 7.234 1 0 JKAFRM Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000034357232 563113326 /nfs/dbraw/zinc/11/33/26/563113326.db2.gz LUDKSNOGWAPFQY-UHFFFAOYSA-N -1 0 466.603 5.588 1 0 JKAFRM COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(F)(F)C(=O)[O-])c2)n1 ZINC000034631554 563114122 /nfs/dbraw/zinc/11/41/22/563114122.db2.gz VKRKYQYUIYHBOO-UHFFFAOYSA-N -1 0 468.287 5.290 1 0 JKAFRM CC(=O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12 ZINC000034643432 563114403 /nfs/dbraw/zinc/11/44/03/563114403.db2.gz KRPKAQPXUCCGIJ-IPKDLSDTSA-N -1 0 472.666 5.281 1 0 JKAFRM CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)c1)C(=O)[O-] ZINC000034717688 563114709 /nfs/dbraw/zinc/11/47/09/563114709.db2.gz FVPCEABQEUPZJE-RUZDIDTESA-N -1 0 460.574 5.983 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCn1ccc2cc(CCC(=O)[O-])ccc21 ZINC000034717662 563114719 /nfs/dbraw/zinc/11/47/19/563114719.db2.gz AORBCLGGYNFMGN-UHFFFAOYSA-N -1 0 474.479 6.240 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc(OC[P@@](=O)([O-])O)cc2Br)ccc1O ZINC000034777153 563114980 /nfs/dbraw/zinc/11/49/80/563114980.db2.gz KHQSAJNTRGEQEQ-UHFFFAOYSA-N -1 0 496.088 5.347 1 0 JKAFRM C[C@](CCN1Cc2ccccc2C1)(C(=O)[O-])S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000034801851 563115799 /nfs/dbraw/zinc/11/57/99/563115799.db2.gz VBMFIGJMAPMVAU-VWLOTQADSA-N -1 0 469.990 5.030 1 0 JKAFRM CC(C)COC(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c(ccc3c2CCCC3)c1C(=O)[O-] ZINC000035087088 563119092 /nfs/dbraw/zinc/11/90/92/563119092.db2.gz ZKDBFXJXQMEFRR-UHFFFAOYSA-N -1 0 467.949 6.227 1 0 JKAFRM CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc32)n(-c2ccc(CCC(=O)[O-])cc2)n1 ZINC000035801751 563120369 /nfs/dbraw/zinc/12/03/69/563120369.db2.gz BGILUSFJZNBOJI-UHFFFAOYSA-N -1 0 456.546 5.984 1 0 JKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CCCN(c2cccc(C(=O)[O-])c2)C1 ZINC000035821245 563120486 /nfs/dbraw/zinc/12/04/86/563120486.db2.gz GKPPMMTUGMWNMR-INIZCTEOSA-N -1 0 469.994 5.117 1 0 JKAFRM Cc1cc(CCC(=O)[O-])ccc1-c1noc(-c2cnc(O[C@@H](C)C(F)(F)F)c(Cl)c2)n1 ZINC000035952408 563121489 /nfs/dbraw/zinc/12/14/89/563121489.db2.gz RZYDSGOZSVUMSW-NSHDSACASA-N -1 0 455.820 5.107 1 0 JKAFRM Cc1ccc(-c2ccc(S[C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)[O-])cc3)cc2)cc1C ZINC000035952827 563121510 /nfs/dbraw/zinc/12/15/10/563121510.db2.gz GQSLKSSTHUALIB-MHZLTWQESA-N -1 0 475.654 7.054 1 0 JKAFRM Cc1c2c(cc(OCc3cccc(-c4ccc(Cl)c(C(=O)[O-])c4)c3)c1C)C[C@@H](C1CCCC1)C2=O ZINC000035999180 563121870 /nfs/dbraw/zinc/12/18/70/563121870.db2.gz UKCJSYABFAKHMI-DEOSSOPVSA-N -1 0 489.011 7.446 1 0 JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@H](O)Cc2ccccc2-c2ccccc2)s1 ZINC000036160045 563122934 /nfs/dbraw/zinc/12/29/34/563122934.db2.gz PJXYETJBFXBRRJ-GOTSBHOMSA-N -1 0 477.626 5.421 1 0 JKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1CC[C@H](O)Cc1cccc(Oc2ccccc2)c1 ZINC000036160112 563123042 /nfs/dbraw/zinc/12/30/42/563123042.db2.gz CRNNORZZZWLJSM-GOTSBHOMSA-N -1 0 453.579 5.189 1 0 JKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(Oc2ccccc2)c1 ZINC000036160107 563123053 /nfs/dbraw/zinc/12/30/53/563123053.db2.gz CRNNORZZZWLJSM-XZOQPEGZSA-N -1 0 453.579 5.189 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1cc(Cl)c(O[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000036175968 563123212 /nfs/dbraw/zinc/12/32/12/563123212.db2.gz XGJGGEIDHKFIRB-JOCHJYFZSA-N -1 0 484.383 6.170 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1cc(Cl)c(O[C@@H](C(=O)[O-])c2ccccc2)c(OC)c1 ZINC000036175936 563123235 /nfs/dbraw/zinc/12/32/35/563123235.db2.gz RHILQJOZXGCAIS-HSZRJFAPSA-N -1 0 479.964 5.526 1 0 JKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc(Cl)cc4)c2c(Br)c1)[C@H](CC(=O)[O-])CC3 ZINC000036190258 563124118 /nfs/dbraw/zinc/12/41/18/563124118.db2.gz VKDNFCZYGKSEAL-ZDUSSCGKSA-N -1 0 496.810 5.014 1 0 JKAFRM O=C([O-])C[C@H]1CCCc2c3cccc([S@](=O)Cc4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190307 563124132 /nfs/dbraw/zinc/12/41/32/563124132.db2.gz YXACEIROLMUHRO-IFXFPORBSA-N -1 0 492.040 6.545 1 0 JKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4cccc(Cl)c4)c2c(Br)c1)[C@@H](CC(=O)[O-])CC3 ZINC000036190326 563124228 /nfs/dbraw/zinc/12/42/28/563124228.db2.gz XURZYAAVHMOMOO-CYBMUJFWSA-N -1 0 496.810 5.014 1 0 JKAFRM O=C([O-])C[C@@H]1CCCc2c3cccc([S@@](=O)Cc4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190315 563124260 /nfs/dbraw/zinc/12/42/60/563124260.db2.gz YXACEIROLMUHRO-ZCWHBTPQSA-N -1 0 492.040 6.545 1 0 JKAFRM CCCCc1ncc(/C=C(/C(=O)[O-])[C@@H](c2cccs2)c2ccccc2)n1Cc1ccccc1Cl ZINC000036222441 563124515 /nfs/dbraw/zinc/12/45/15/563124515.db2.gz HTCAJSFSZCDKNO-YSFSTTGISA-N -1 0 491.056 7.289 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H]2c3ccccc3C(C)=C2C(=O)[O-])cc1 ZINC000036222529 563124644 /nfs/dbraw/zinc/12/46/44/563124644.db2.gz LBWKTUCKIMUDFO-AREMUKBSSA-N -1 0 451.570 6.053 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H]2c3ccccc3C(C)=C2C(=O)[O-])cc1 ZINC000036222531 563124649 /nfs/dbraw/zinc/12/46/49/563124649.db2.gz LBWKTUCKIMUDFO-SANMLTNESA-N -1 0 451.570 6.053 1 0 JKAFRM Cc1ccc(OCc2c(Cl)cccc2Cl)c(/C=C/Cc2ccccc2/C=C/C(=O)[O-])c1 ZINC000036349253 563126583 /nfs/dbraw/zinc/12/65/83/563126583.db2.gz LBTRYVIKJMHFJT-HCDPAPFBSA-N -1 0 453.365 7.235 1 0 JKAFRM O=C([O-])c1cccc2c1C(=O)c1ccc(-c3ccc(F)cc3OCc3ccccc3)cc1S2(=O)=O ZINC000036382283 563127965 /nfs/dbraw/zinc/12/79/65/563127965.db2.gz PZAZRIWNVPMDGR-UHFFFAOYSA-N -1 0 488.492 5.147 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000036387302 563129148 /nfs/dbraw/zinc/12/91/48/563129148.db2.gz XZDALVTXQRBYSJ-SVBPBHIXSA-N -1 0 475.610 6.006 3 0 JKAFRM COc1cccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387319 563129162 /nfs/dbraw/zinc/12/91/62/563129162.db2.gz LPBNNLRSYLXBJT-DQEYMECFSA-N -1 0 481.545 5.031 3 0 JKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3F)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387318 563129164 /nfs/dbraw/zinc/12/91/64/563129164.db2.gz YYHXIOWLHKLCJP-ZCYQVOJMSA-N -1 0 481.545 5.031 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036387356 563129242 /nfs/dbraw/zinc/12/92/42/563129242.db2.gz XHMCZCORZMBXGX-DQEYMECFSA-N -1 0 482.001 5.845 3 0 JKAFRM CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000036411142 563129923 /nfs/dbraw/zinc/12/99/23/563129923.db2.gz LVYOXPQJURJWPC-MVQHSHHOSA-N -1 0 468.678 6.499 1 0 JKAFRM CC(=O)Nc1cc(C(=O)[O-])cc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000036413260 563130026 /nfs/dbraw/zinc/13/00/26/563130026.db2.gz HBTZAIRBZJFUHI-UHFFFAOYSA-N -1 0 471.940 6.910 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(C)c1ccc(CC(=O)[O-])cc1Cl ZINC000037866925 563131122 /nfs/dbraw/zinc/13/11/22/563131122.db2.gz GADXIGHAARSCIO-UHFFFAOYSA-N -1 0 484.902 5.985 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(CC)c1ccc(CC(=O)[O-])cc1 ZINC000037866924 563131145 /nfs/dbraw/zinc/13/11/45/563131145.db2.gz DHBTWYCRACDCDH-UHFFFAOYSA-N -1 0 464.484 5.722 1 0 JKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OCC(F)(F)F)cc2Cl)cc1)C(=O)[O-] ZINC000038155988 563132694 /nfs/dbraw/zinc/13/26/94/563132694.db2.gz BOWUIVFUALBKNR-QFIPXVFZSA-N -1 0 474.903 6.172 1 0 JKAFRM Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)c2cc(Cl)ccc2n1CC(=O)[O-] ZINC000038217132 563133308 /nfs/dbraw/zinc/13/33/08/563133308.db2.gz PNTSJYFINLWWEG-UHFFFAOYSA-N -1 0 457.917 5.113 1 0 JKAFRM O=C([O-])c1csc(SCCN2C(=O)OC[C@@H]2/C=C/[C@@H](O)C2(CCC3CCCCC3)CCC2)n1 ZINC000038310831 563133787 /nfs/dbraw/zinc/13/37/87/563133787.db2.gz XOUGGWXXKDCLTN-QWCIBIBSSA-N -1 0 494.679 5.202 1 0 JKAFRM O=C1Nc2ccc(-c3cccnc3)cc2/C1=C\c1cc(Br)c([O-])c(Br)c1 ZINC000038357926 563133943 /nfs/dbraw/zinc/13/39/43/563133943.db2.gz CAEMFFVPJFULIV-GIDUJCDVSA-N -1 0 472.136 5.472 1 0 JKAFRM CO[C@@H]1C=C(CCC[C@@H](CC[C@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)COS(=O)(=O)[O-])C(=O)O1 ZINC000038432889 563134444 /nfs/dbraw/zinc/13/44/44/563134444.db2.gz UZYGEULXQQDPRZ-CKCFWYIOSA-N -1 0 498.682 5.627 1 0 JKAFRM C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)OC1)COS(=O)(=O)[O-] ZINC000038661494 563135324 /nfs/dbraw/zinc/13/53/24/563135324.db2.gz NFFYCHHMRWODEA-DDLLOKISSA-N -1 0 468.656 5.655 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Oc3cc(F)cc(F)c3)ccc2CCC(=O)[O-])c1 ZINC000038661929 563135327 /nfs/dbraw/zinc/13/53/27/563135327.db2.gz BSISWJVFEHGQBT-HHHXNRCGSA-N -1 0 495.566 6.908 1 0 JKAFRM COC(OC)[C@]1(C)CC[C@H]2[C@@]1(C)CC[C@H]1[C@](C)(Cc3cc(C(=O)[O-])ccc3O)[C@H](C)CC[C@]21C ZINC000038748732 563135381 /nfs/dbraw/zinc/13/53/81/563135381.db2.gz NGZCNRIYOUJSLA-XYUNQWHOSA-N -1 0 472.666 6.527 1 0 JKAFRM O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2F)n1 ZINC000038801223 563135458 /nfs/dbraw/zinc/13/54/58/563135458.db2.gz AIEWYKTUZZEYGB-UHFFFAOYSA-N -1 0 451.856 6.624 1 0 JKAFRM C[C@@H](C/C=C/C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)[O-])C(Cl)(Cl)Cl ZINC000039108641 563136171 /nfs/dbraw/zinc/13/61/71/563136171.db2.gz FYSJFLMSVGZPJE-ZNSGJFPESA-N -1 0 462.028 5.247 1 0 JKAFRM CCC(=O)Nc1cc(C(=O)[O-])cc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000040380716 563137659 /nfs/dbraw/zinc/13/76/59/563137659.db2.gz NMIVPSUCVVINAY-UHFFFAOYSA-N -1 0 485.967 7.300 1 0 JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(=O)[O-])CCC(C)(C)C[C@H]5[C@@H]4CC[C@@H]32)C1(C)C ZINC000040392507 563138023 /nfs/dbraw/zinc/13/80/23/563138023.db2.gz WXKHJCDACFREHC-QXKAHFDZSA-N -1 0 484.721 7.414 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1ccc(OCCCCOc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000040393081 563138209 /nfs/dbraw/zinc/13/82/09/563138209.db2.gz ODJFKIIZWJOLHM-QGOAFFKASA-N -1 0 487.596 5.266 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2c(C)cccc2Cl)c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000040393476 563138427 /nfs/dbraw/zinc/13/84/27/563138427.db2.gz FAKHEYVRXREGKF-QFIPXVFZSA-N -1 0 471.985 5.673 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2C(=O)[O-])c1 ZINC000040408655 563140393 /nfs/dbraw/zinc/14/03/93/563140393.db2.gz UBPSAUWQNXEZQY-UHFFFAOYSA-N -1 0 466.497 5.217 1 0 JKAFRM C/C(=C\CC[C@H](CCCc1ccoc1)COS(=O)(=O)[O-])CC[C@]1(C)C(C)=CCC[C@H]1C ZINC000040410303 563140589 /nfs/dbraw/zinc/14/05/89/563140589.db2.gz GCCDIQCRJHCDFR-TYBNAWDOSA-N -1 0 452.657 6.927 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@H]([C@@]5(C)CCCC(C)(C)O5)CC[C@]43C)[C@@]2(C)C[C@]1(O)C(=O)[O-] ZINC000040421532 563141694 /nfs/dbraw/zinc/14/16/94/563141694.db2.gz AXQHMALDHWWBAD-PICNCIQKSA-N -1 0 490.725 5.806 1 0 JKAFRM C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C ZINC000040422622 563141966 /nfs/dbraw/zinc/14/19/66/563141966.db2.gz IIUXRYBFJIQPEV-CBNMXHHASA-N -1 0 456.711 7.522 1 0 JKAFRM CCCCC1(CCCC)OC(c2ccc(Cl)cc2)=NN1C(=O)[N-]C(=O)c1c(F)cccc1F ZINC000040424366 563142876 /nfs/dbraw/zinc/14/28/76/563142876.db2.gz VFWXQERFIYYWOX-UHFFFAOYSA-N -1 0 477.939 6.239 1 0 JKAFRM COc1ccc(-c2ccc(COc3ccc(OCC(=O)[O-])c(C)c3)cc2-c2ccc(OC)cc2)cc1 ZINC000040565126 563145457 /nfs/dbraw/zinc/14/54/57/563145457.db2.gz WEZWVTHGDNKJBD-UHFFFAOYSA-N -1 0 484.548 6.389 1 0 JKAFRM C[C@H](C(=O)NCCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040576052 563146444 /nfs/dbraw/zinc/14/64/44/563146444.db2.gz GAXGWRBRFSCRTB-UQHQWPFPSA-N -1 0 473.698 5.714 1 0 JKAFRM C[C@H](C(=O)NCCCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040576126 563146511 /nfs/dbraw/zinc/14/65/11/563146511.db2.gz UQGWAXLBYYPNLN-YRLGDWFYSA-N -1 0 487.725 6.104 1 0 JKAFRM COc1cccc([C@@]2(C)c3cc(C(=O)[O-])sc3C(=O)c3c2c2ccccc2n3Cc2ccccc2)c1 ZINC000040640815 563147219 /nfs/dbraw/zinc/14/72/19/563147219.db2.gz VCWWTJPOSIFWSW-PMERELPUSA-N -1 0 493.584 6.357 1 0 JKAFRM COc1ccc(Cn2c3ccccc3c3c2C(=O)c2sc(C(=O)[O-])cc2[C@@]3(C)c2ccccc2)cc1 ZINC000040641137 563147298 /nfs/dbraw/zinc/14/72/98/563147298.db2.gz RLQGOQYJANTVIP-SSEXGKCCSA-N -1 0 493.584 6.357 1 0 JKAFRM C[P@](=O)([O-])[C@H](C(=O)N/C=C/c1cc(F)cc(Cl)c1)c1csc2ccc(Cl)cc21 ZINC000040753699 563147724 /nfs/dbraw/zinc/14/77/24/563147724.db2.gz WQQJKGVIJLVFDM-WRFKIARRSA-N -1 0 458.278 6.076 1 0 JKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)[O-] ZINC000040762403 563147804 /nfs/dbraw/zinc/14/78/04/563147804.db2.gz WJSVRUOOOQOYTE-FYKVXSFUSA-N -1 0 485.715 7.237 1 0 JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@@H]2C1 ZINC000040762865 563147876 /nfs/dbraw/zinc/14/78/76/563147876.db2.gz LUJTWDWEYNWTBP-LXIWGVHGSA-N -1 0 472.710 6.204 1 0 in-vivo JKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Sc3ccccc3)c(Sc3ccccc3)c21 ZINC000040835496 563149035 /nfs/dbraw/zinc/14/90/35/563149035.db2.gz GDZCJCWXBKCUGH-UHFFFAOYSA-N -1 0 451.544 6.161 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000040860231 563149855 /nfs/dbraw/zinc/14/98/55/563149855.db2.gz YRCGVDWNLBAYIE-OADIDDRXSA-N -1 0 469.710 6.597 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)nc2ccc(I)cc21 ZINC000040861539 563150147 /nfs/dbraw/zinc/15/01/47/563150147.db2.gz RULPXTJQPWLCRM-FQEVSTJZSA-N -1 0 495.320 5.009 1 0 JKAFRM CCCC(=O)Nc1cc(C(=O)[O-])cc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000040862598 563150384 /nfs/dbraw/zinc/15/03/84/563150384.db2.gz JJOXBFRPZCMRKO-UHFFFAOYSA-N -1 0 499.994 7.690 1 0 JKAFRM C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C(=O)[O-])CC[C@@](C)(O)C[C@H]4[C@]3(C)CC[C@]12C ZINC000040863115 563150476 /nfs/dbraw/zinc/15/04/76/563150476.db2.gz ZIUMAJPDXROLOY-XLWXAZOTSA-N -1 0 458.683 6.247 1 0 JKAFRM Cc1cccc(Cl)c1NC(=O)Nc1ccc2cc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)ccc2c1 ZINC000040863426 563150520 /nfs/dbraw/zinc/15/05/20/563150520.db2.gz HRCRPPQIRDMMOC-DEOSSOPVSA-N -1 0 493.991 6.209 1 0 JKAFRM Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1cc(O[C@@H](C)C(=O)[O-])ccc1Cl ZINC000040865738 563151009 /nfs/dbraw/zinc/15/10/09/563151009.db2.gz FCQCJRFRHUFKAT-AWEZNQCLSA-N -1 0 489.330 6.483 1 0 JKAFRM Cc1c2ccc(C(=O)[O-])cc2ccc1-c1ccc(O)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1 ZINC000040866872 563151224 /nfs/dbraw/zinc/15/12/24/563151224.db2.gz HHQIKSGNILETCQ-UHFFFAOYSA-N -1 0 464.605 8.235 1 0 JKAFRM CC(C)c1onc(Cc2ccccc2)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000040874776 563152020 /nfs/dbraw/zinc/15/20/20/563152020.db2.gz LVLDFLBQMYHHSF-VAWYXSNFSA-N -1 0 487.983 7.490 1 0 JKAFRM C[C@@H](C(=O)[O-])N1CCN(c2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C1=O ZINC000040879254 563152746 /nfs/dbraw/zinc/15/27/46/563152746.db2.gz QHXLCUZCLDAUAR-IBGZPJMESA-N -1 0 467.525 5.196 1 0 JKAFRM CC(C)c1onc(COC(C)(C)C)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000040879700 563152854 /nfs/dbraw/zinc/15/28/54/563152854.db2.gz DZYAVCZWDRKSCB-MDZDMXLPSA-N -1 0 483.992 7.214 1 0 JKAFRM CCCCc1nc2cc(NC(=O)CC)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000040893758 563153549 /nfs/dbraw/zinc/15/35/49/563153549.db2.gz RARXNRLSBSQQOG-UHFFFAOYSA-N -1 0 455.558 6.141 1 0 JKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1cc(CC(C)C)ccc1-c1ccc(C(=O)N(CC)CC)cc1 ZINC000040894271 563153636 /nfs/dbraw/zinc/15/36/36/563153636.db2.gz ZTTAJAGIRDBSCK-UHFFFAOYSA-N -1 0 488.650 5.249 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc(N(c3ccc(C(=O)[O-])cn3)S(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000040896883 563154048 /nfs/dbraw/zinc/15/40/48/563154048.db2.gz HNWJYTHSCUOIGR-UHFFFAOYSA-N -1 0 499.032 6.309 1 0 JKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Sc3ccc(C)cc3)c(Sc3ccc(C)cc3)c21 ZINC000040900751 563154721 /nfs/dbraw/zinc/15/47/21/563154721.db2.gz XVTVNGUGAULSMA-UHFFFAOYSA-N -1 0 479.598 6.778 1 0 JKAFRM CC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] ZINC000040914830 563155396 /nfs/dbraw/zinc/15/53/96/563155396.db2.gz JTBVPIHWMWILJU-MHZLTWQESA-N -1 0 484.552 5.582 1 0 JKAFRM CCCCC[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000040933204 563156718 /nfs/dbraw/zinc/15/67/18/563156718.db2.gz OYKMUKPYVKVTGY-HSZRJFAPSA-N -1 0 475.589 6.172 1 0 JKAFRM COc1ccc(OC(=O)N(CCCCCCc2nc(-c3ccc(C)cc3)oc2C)CC(=O)[O-])cc1 ZINC000040936783 563158122 /nfs/dbraw/zinc/15/81/22/563158122.db2.gz FVEHPNUUVUGNOQ-UHFFFAOYSA-N -1 0 480.561 5.656 1 0 JKAFRM COc1ccc(NC(=O)Nc2cc3c(cc2C(C)C)CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@]32C)cc1 ZINC000040950298 563159416 /nfs/dbraw/zinc/15/94/16/563159416.db2.gz ULXHJYYQXGLURY-RYRVMRHHSA-N -1 0 464.606 6.558 1 0 JKAFRM CCCCc1cc2ccccc2c(Oc2ccc(/C=C/C(=O)[O-])cc2)c1-c1ccc(OC)cc1 ZINC000040951884 563159783 /nfs/dbraw/zinc/15/97/83/563159783.db2.gz YHTKRDZQJNHQQN-XDHOZWIPSA-N -1 0 452.550 7.748 1 0 in-vitro JKAFRM CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)C3=CC[C@]12C ZINC000042804537 563162766 /nfs/dbraw/zinc/16/27/66/563162766.db2.gz TWWRXGPUWVXLBB-ASEFAEEDSA-N -1 0 494.694 5.286 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000042890287 563163489 /nfs/dbraw/zinc/16/34/89/563163489.db2.gz NZCULBURCGAPSF-PQWKYGPVSA-N -1 0 472.710 6.062 1 0 in-vitro JKAFRM CC(C)(Cc1cc2cc(OCc3ccccn3)ccc2n1Cc1ccc(-c2nccs2)cc1)C(=O)[O-] ZINC000043011136 563164124 /nfs/dbraw/zinc/16/41/24/563164124.db2.gz DDAQTTBNRIQGGS-UHFFFAOYSA-N -1 0 497.620 6.440 1 0 JKAFRM O=C([O-])CCCc1cn(Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)c2ccccc12 ZINC000043013281 563164302 /nfs/dbraw/zinc/16/43/02/563164302.db2.gz HQSZWYSYDRPBPT-RVDMUPIBSA-N -1 0 480.995 7.469 1 0 JKAFRM CC(C)=CCc1cc([C@H]2Oc3c(cc(CC=C(C)C)c([O-])c3CC=C(C)C)C(=O)[C@@H]2O)ccc1O ZINC000043018138 563164688 /nfs/dbraw/zinc/16/46/88/563164688.db2.gz IKKCPYPLJMVWMP-URLMMPGGSA-N -1 0 476.613 6.301 1 0 in-vitro JKAFRM CCCc1cc(=O)oc2cc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)c3c(c12)OC(C)(C)C=C3 ZINC000043017749 563164735 /nfs/dbraw/zinc/16/47/35/563164735.db2.gz ZAGWEQMATQYOGI-UHFFFAOYSA-N -1 0 461.514 5.400 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1-c1nc2ccccc2s1 ZINC000043021871 563165075 /nfs/dbraw/zinc/16/50/75/563165075.db2.gz NPWPNJVUSDFSSU-UHFFFAOYSA-N -1 0 462.621 6.801 1 0 JKAFRM O=S(=O)([N-]c1oncc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043024292 563165305 /nfs/dbraw/zinc/16/53/05/563165305.db2.gz UQHSATIHBMYREX-UHFFFAOYSA-N -1 0 467.959 6.073 1 0 JKAFRM O=C([O-])c1ccc(Cn2c(=O)c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043059331 563165548 /nfs/dbraw/zinc/16/55/48/563165548.db2.gz NOUBKPWWQPBKCL-UHFFFAOYSA-N -1 0 496.950 5.201 1 0 JKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Nc3ccccc3)ccc12)C(=O)[O-] ZINC000043059665 563165557 /nfs/dbraw/zinc/16/55/57/563165557.db2.gz CCTDBXLXFNHDIL-JOCHJYFZSA-N -1 0 497.598 5.086 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1-c1nc2ccccc2s1 ZINC000043060345 563165649 /nfs/dbraw/zinc/16/56/49/563165649.db2.gz FHJDRPJVZNDRHH-UHFFFAOYSA-N -1 0 454.520 6.153 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc2cc(Cl)ccc2c1 ZINC000043062281 563165829 /nfs/dbraw/zinc/16/58/29/563165829.db2.gz CQXCKGHQLPJCRD-UHFFFAOYSA-N -1 0 457.001 6.632 1 0 JKAFRM CCC(CC)(c1ccccc1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2cccc(F)c2)c1 ZINC000043120731 563167524 /nfs/dbraw/zinc/16/75/24/563167524.db2.gz WJLHSOZHUQVPDH-FBTBEWQISA-N -1 0 476.588 6.199 1 0 JKAFRM CC(C)CCn1c2sc(-c3ccccc3)cc2c([O-])c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000043120530 563167525 /nfs/dbraw/zinc/16/75/25/563167525.db2.gz FAYFDSQOFRZENM-UHFFFAOYSA-N -1 0 493.610 5.043 1 0 JKAFRM CCC(CC)(c1ccccc1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccccc2F)c1 ZINC000043120594 563167544 /nfs/dbraw/zinc/16/75/44/563167544.db2.gz IVRIJQQMQLAJLV-PJEYCIDESA-N -1 0 476.588 6.199 1 0 JKAFRM CCC(CC)(c1ccccc1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccccc2)c1 ZINC000043121671 563167639 /nfs/dbraw/zinc/16/76/39/563167639.db2.gz VJOXGVSUZFQNAP-HNMDSZIPSA-N -1 0 458.598 6.060 1 0 JKAFRM O=C([O-])c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c43)CC2)cc1 ZINC000043199517 563168486 /nfs/dbraw/zinc/16/84/86/563168486.db2.gz BWXAZFCPGFKANL-UHFFFAOYSA-N -1 0 478.470 5.826 1 0 JKAFRM O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2cccc(C(F)(F)F)c2[O-])on1 ZINC000045245803 563181802 /nfs/dbraw/zinc/18/18/02/563181802.db2.gz NNDNJRNRAPEWFB-QZTJIDSGSA-N -1 0 470.491 6.145 1 0 JKAFRM CC1=CCC[C@H]2[C@](C)(Cc3cc(O)cc(Sc4cccc(C(=O)[O-])c4)c3O)[C@@H](C)CC[C@]12C ZINC000045319182 563187823 /nfs/dbraw/zinc/18/78/23/563187823.db2.gz ZHNWIBRFILHVBA-JWNPUDRZSA-N -1 0 466.643 7.289 1 0 JKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(CCC[C@H](C)CCCC(C)C)O2 ZINC000045324081 563188981 /nfs/dbraw/zinc/18/89/81/563188981.db2.gz XPXBCMDPEHZQGL-GDJIYFAZSA-N -1 0 460.655 7.098 1 0 JKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cc(F)nc(F)c1 ZINC000045336851 563190334 /nfs/dbraw/zinc/19/03/34/563190334.db2.gz KZXJZDPMJGQOPX-UHFFFAOYSA-N -1 0 458.436 5.569 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3C)ccc2CCC(=O)[O-])c1 ZINC000045355114 563192199 /nfs/dbraw/zinc/19/21/99/563192199.db2.gz PUQCPIMXFYPCIE-MUUNZHRXSA-N -1 0 487.640 6.725 1 0 JKAFRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-] ZINC000045354990 563192208 /nfs/dbraw/zinc/19/22/08/563192208.db2.gz VWAJGZMJLDKULL-HHHXNRCGSA-N -1 0 459.586 6.108 1 0 JKAFRM COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1C ZINC000045357984 563192685 /nfs/dbraw/zinc/19/26/85/563192685.db2.gz YZYXNEKGJISLEM-HHHXNRCGSA-N -1 0 489.612 6.117 1 0 JKAFRM O=C([O-])Cc1sc([C@@H](c2ccccc2)c2cccc(Cl)n2)nc1-c1ccc(Cl)cc1 ZINC000045364988 563192923 /nfs/dbraw/zinc/19/29/23/563192923.db2.gz HGXFUGPKXLCJOZ-NRFANRHFSA-N -1 0 455.366 6.319 1 0 JKAFRM Cc1ccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1 ZINC000045365307 563192999 /nfs/dbraw/zinc/19/29/99/563192999.db2.gz CDBREVYLTWFNCI-HHHXNRCGSA-N -1 0 459.586 6.108 1 0 JKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(F)c(F)c1 ZINC000045366179 563193062 /nfs/dbraw/zinc/19/30/62/563193062.db2.gz PMKHRUSPKPZZRI-UHFFFAOYSA-N -1 0 457.448 6.174 1 0 JKAFRM Cc1ccc(OCc2ccc(CCC(=O)[O-])c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)cc1 ZINC000045366801 563193109 /nfs/dbraw/zinc/19/31/09/563193109.db2.gz FTAFMJDXEACGGN-GDLZYMKVSA-N -1 0 487.640 6.725 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000045367784 563193310 /nfs/dbraw/zinc/19/33/10/563193310.db2.gz KHHCAIWHDUGXHC-VQTJNVASSA-N -1 0 465.571 5.963 1 0 JKAFRM COc1ccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1 ZINC000045371807 563193834 /nfs/dbraw/zinc/19/38/34/563193834.db2.gz BMOHLTABKALFMV-MHZLTWQESA-N -1 0 475.585 5.809 1 0 JKAFRM O=C([O-])C[C@@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2c1cccc2Cl ZINC000045372676 563193940 /nfs/dbraw/zinc/19/39/40/563193940.db2.gz GTRLLSQFXNMEFO-CYYXOFGOSA-N -1 0 457.014 5.170 1 0 JKAFRM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-] ZINC000045374728 563194064 /nfs/dbraw/zinc/19/40/64/563194064.db2.gz ALGGHMKJRRYWGC-SANMLTNESA-N -1 0 475.585 5.809 1 0 JKAFRM Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)[O-])cc2)c1Cc1cccc(C(F)(F)F)c1 ZINC000045374866 563194164 /nfs/dbraw/zinc/19/41/64/563194164.db2.gz DLMXCAVYRXOLRT-ZDUSSCGKSA-N -1 0 461.505 6.164 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3F)ccc2CCC(=O)[O-])c1 ZINC000045385812 563194388 /nfs/dbraw/zinc/19/43/88/563194388.db2.gz GZDWUKOMCIOVJR-HHHXNRCGSA-N -1 0 491.603 6.556 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000045386527 563194468 /nfs/dbraw/zinc/19/44/68/563194468.db2.gz AXCOTJZGNGEVSS-YADHBBJMSA-N -1 0 491.609 6.477 1 0 JKAFRM COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1F ZINC000045386665 563194545 /nfs/dbraw/zinc/19/45/45/563194545.db2.gz WWXJECJLRYIVOD-AREMUKBSSA-N -1 0 493.575 5.948 1 0 JKAFRM CC(C)(C)[C@H](C(=O)Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000045387775 563194760 /nfs/dbraw/zinc/19/47/60/563194760.db2.gz GVUGZEAXWZZCPP-LBPRGKRZSA-N -1 0 474.854 5.877 1 0 JKAFRM Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)[O-])cc3)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000045389127 563194904 /nfs/dbraw/zinc/19/49/04/563194904.db2.gz FFFKIGGQAODEPS-UHFFFAOYSA-N -1 0 473.516 6.092 1 0 JKAFRM Cc1ccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1F ZINC000045389239 563194907 /nfs/dbraw/zinc/19/49/07/563194907.db2.gz OWFLBMKLSVEXQW-MHZLTWQESA-N -1 0 477.576 6.248 1 0 JKAFRM CC[C@H](C)C(=O)c1c([O-])c2c([C@@H](O)CC)cc(=O)oc2c(C/C=C(\C)CCC=C(C)C)c1O ZINC000045496183 563195743 /nfs/dbraw/zinc/19/57/43/563195743.db2.gz AGOSDMDNYICYIT-YSDUMNIHSA-N -1 0 456.579 6.112 1 0 JKAFRM CCCCCCOc1cc2c(cc1-c1cc(/C=C/C(=O)[O-])ccc1O)C(C)(C)CCC2(C)C ZINC000045506076 563196395 /nfs/dbraw/zinc/19/63/95/563196395.db2.gz OPWBZYNREODHFN-ACCUITESSA-N -1 0 450.619 7.465 1 0 JKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccccc2)cc1 ZINC000049031224 563197859 /nfs/dbraw/zinc/19/78/59/563197859.db2.gz RHZADMSTYWTDRD-UHFFFAOYSA-N -1 0 461.539 5.837 1 0 JKAFRM CCCc1ccc(-c2oc(COc3ccc(OCC(=O)[O-])c(C)c3)nc2-c2cnc(OC)nc2)cc1 ZINC000049032711 563197991 /nfs/dbraw/zinc/19/79/91/563197991.db2.gz LXWVGOVRRHPVKU-UHFFFAOYSA-N -1 0 489.528 5.111 1 0 JKAFRM COc1ccc(-c2nc(COc3ccc(CC(=O)[O-])cc3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049033496 563198216 /nfs/dbraw/zinc/19/82/16/563198216.db2.gz RVXJUPZVCFYIAG-UHFFFAOYSA-N -1 0 499.510 6.711 1 0 JKAFRM COc1ccc(-c2sc(COc3ccc(OCC(=O)[O-])c(C)c3)nc2-c2ccccc2)cc1 ZINC000049034093 563198425 /nfs/dbraw/zinc/19/84/25/563198425.db2.gz KDKFINPXKUDKGQ-UHFFFAOYSA-N -1 0 461.539 5.837 1 0 JKAFRM O=C([O-])c1ccc2c(ccn2CC(=O)COc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1 ZINC000049047441 563199519 /nfs/dbraw/zinc/19/95/19/563199519.db2.gz NPWMPNRBAQCCPJ-UHFFFAOYSA-N -1 0 469.415 5.799 1 0 JKAFRM O=C([O-])COc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cccc(F)c1 ZINC000049054892 563200503 /nfs/dbraw/zinc/20/05/03/563200503.db2.gz DQFSKGLGNLOGRN-UHFFFAOYSA-N -1 0 455.457 5.871 1 0 JKAFRM CC(C)c1ccc(Nc2cc(Cl)nc(S[C@H](C(=O)[O-])c3cccc4ccccc43)n2)cc1 ZINC000049066942 563200783 /nfs/dbraw/zinc/20/07/83/563200783.db2.gz GSSLNYXQADSUHX-QHCPKHFHSA-N -1 0 463.990 7.068 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Nc3cc(F)cc(F)c3)ccc2CCC(=O)[O-])c1 ZINC000049069793 563201149 /nfs/dbraw/zinc/20/11/49/563201149.db2.gz QWCPLYYGSMWKHF-HHHXNRCGSA-N -1 0 494.582 6.860 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(Oc3ccccc3)ccc2CCC(=O)[O-])c1 ZINC000049070555 563201226 /nfs/dbraw/zinc/20/12/26/563201226.db2.gz XNTSBVOETDBBMR-HHHXNRCGSA-N -1 0 459.586 6.630 1 0 JKAFRM C/C(=C/CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000049087995 563201608 /nfs/dbraw/zinc/20/16/08/563201608.db2.gz SNZQBBATMLGADX-OYLOMWMRSA-N -1 0 468.678 6.499 1 0 JKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2ccc3ccccc3c2)n1)c1cccc2ccccc21 ZINC000049087693 563201642 /nfs/dbraw/zinc/20/16/42/563201642.db2.gz FHLFDNGKWOUAFE-XMMPIXPASA-N -1 0 471.969 7.098 1 0 JKAFRM C/C(=C/[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000049088172 563201647 /nfs/dbraw/zinc/20/16/47/563201647.db2.gz BHPUPTSWPKUFML-DPXICLPRSA-N -1 0 470.694 6.291 1 0 JKAFRM COc1ccc(-n2c(=S)[n-]nc2Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000049109795 563202164 /nfs/dbraw/zinc/20/21/64/563202164.db2.gz RGOXCSCNFCAGRR-UHFFFAOYSA-N -1 0 460.382 5.568 1 0 JKAFRM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000049112497 563202469 /nfs/dbraw/zinc/20/24/69/563202469.db2.gz LXLFMQMUPBTUKB-UHFFFAOYSA-N -1 0 470.868 5.244 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](C[C@@H]1C=NC(C(c3ccccc3)c3ccccc3)=N1)C2 ZINC000049583196 563203050 /nfs/dbraw/zinc/20/30/50/563203050.db2.gz GFVOZAMRAFUEHJ-GBXCKJPGSA-N -1 0 452.554 5.329 1 0 JKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1cccc(-c2ccc(OCC(=O)[O-])cc2)c1 ZINC000049605928 563203072 /nfs/dbraw/zinc/20/30/72/563203072.db2.gz OGJMWSXETKQAME-UHFFFAOYSA-N -1 0 453.416 6.466 1 0 JKAFRM C[C@@]1([C@@H]2CC[C@]3(C(=O)[O-])CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]23)CO1 ZINC000049679953 563203090 /nfs/dbraw/zinc/20/30/90/563203090.db2.gz IRWOSRKGAAZBDW-YJNGONBZSA-N -1 0 472.710 6.302 1 0 JKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000049606030 563203107 /nfs/dbraw/zinc/20/31/07/563203107.db2.gz ZXXZPXGCGULPSX-UHFFFAOYSA-N -1 0 453.416 6.466 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000049778258 563203605 /nfs/dbraw/zinc/20/36/05/563203605.db2.gz IQLSKBSHWTVSQV-ZCYQVOJMSA-N -1 0 453.538 6.598 1 0 JKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cc2nccs2)cc1 ZINC000049807905 563204274 /nfs/dbraw/zinc/20/42/74/563204274.db2.gz PMTNHFJQZHFLNV-UHFFFAOYSA-N -1 0 492.688 5.876 1 0 JKAFRM CCCC/C=C\CCCCCCCCC(=O)NCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC000053230356 563205300 /nfs/dbraw/zinc/20/53/00/563205300.db2.gz FOPBITYKVRLSMJ-RPGKNFCHSA-N -1 0 486.697 6.399 1 0 JKAFRM O=S(=O)([N-]c1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000053294920 563205631 /nfs/dbraw/zinc/20/56/31/563205631.db2.gz YHEVMXYWTAZKST-UHFFFAOYSA-N -1 0 465.145 5.683 1 0 JKAFRM O=C([O-])[C@H]1CCCN1C(=O)/C=C/CCCCCCCCCC=C(Br)Br ZINC000053295548 563205676 /nfs/dbraw/zinc/20/56/76/563205676.db2.gz ASJBFCPBHXEJFU-HFQYIWAZSA-N -1 0 479.253 5.760 1 0 JKAFRM CCCCN(CCCC)c1nc(NCc2ccccc2)c(C(=O)[O-])c(SCc2ccccc2)n1 ZINC000053297598 563205691 /nfs/dbraw/zinc/20/56/91/563205691.db2.gz IZWWDVCNPYDTIY-UHFFFAOYSA-N -1 0 478.662 6.486 1 0 JKAFRM CCCC[C@@H](Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(=O)[O-] ZINC000053297716 563205729 /nfs/dbraw/zinc/20/57/29/563205729.db2.gz JIQMZCWTMHNZTD-JOCHJYFZSA-N -1 0 478.699 6.911 1 0 JKAFRM CCCC[C@H](Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(=O)[O-] ZINC000053297745 563205734 /nfs/dbraw/zinc/20/57/34/563205734.db2.gz SJXBBPZLCKFUGZ-DEOSSOPVSA-N -1 0 494.657 6.235 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(C(F)(F)C(=O)[O-])ccc4[C@H]3CC[C@]12C)C(C)C ZINC000058563427 563207333 /nfs/dbraw/zinc/20/73/33/563207333.db2.gz MQFNLXNKCGCDSL-OPMJLWCUSA-N -1 0 461.593 5.981 1 0 JKAFRM CCCc1nc2ccc([C@@H](O)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000058569029 563207480 /nfs/dbraw/zinc/20/74/80/563207480.db2.gz ANDAFOUUTSEKKD-PMERELPUSA-N -1 0 476.576 6.484 1 0 JKAFRM O=C([O-])c1c(O)c(C2(c3ccc(Br)cc3)CC2)nc2c1cccc2C(F)(F)F ZINC000058569471 563207566 /nfs/dbraw/zinc/20/75/66/563207566.db2.gz GCNAFZVEBJYFGK-UHFFFAOYSA-N -1 0 452.226 5.500 1 0 JKAFRM CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)[O-])c2)c(C)c1 ZINC000059570190 563209097 /nfs/dbraw/zinc/20/90/97/563209097.db2.gz GWJDMRAKYPGSSI-QHCPKHFHSA-N -1 0 476.569 5.915 1 0 JKAFRM CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)[O-])c(F)c3)c2)c(C)c1 ZINC000059860852 563209394 /nfs/dbraw/zinc/20/93/94/563209394.db2.gz BYYWXHGQMZFTEF-UHFFFAOYSA-N -1 0 465.565 6.154 1 0 JKAFRM CC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)[O-])c1 ZINC000169296142 569868183 /nfs/dbraw/zinc/86/81/83/569868183.db2.gz DUMKXWXOBPSKLC-JGPKDBRGSA-N -1 0 463.533 5.463 1 0 JKAFRM CC(C)=CCC/C(C)=C/Cc1c(=O)c2c(O)c(CC=C(C)C)c([O-])cc2oc1-c1ccc(O)cc1O ZINC000013373238 571698980 /nfs/dbraw/zinc/69/89/80/571698980.db2.gz RHAIJKNXAULKGF-VXLYETTFSA-N -1 0 490.596 7.026 1 0 endogenous,in-man JKAFRM CC(C)=CCC/C(C)=C\Cc1c(=O)c2c([O-])c3c(cc2oc1-c1ccc(O)cc1O)OC(C)(C)C=C3 ZINC000014688693 571719609 /nfs/dbraw/zinc/71/96/09/571719609.db2.gz SKCPIJZMAFLOJW-NVMNQCDNSA-N -1 0 488.580 6.996 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@@H](O)[C@]43C)[C@@H]2[C@H]1C ZINC000095619515 571798284 /nfs/dbraw/zinc/79/82/84/571798284.db2.gz MFYBXHRQBFYAQZ-NUPLFKJTSA-N -1 0 470.694 6.269 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@@H](O)[C@]43C)[C@@H]2[C@H]1C ZINC000095619516 571798302 /nfs/dbraw/zinc/79/83/02/571798302.db2.gz MFYBXHRQBFYAQZ-NVTJHPQGSA-N -1 0 470.694 6.269 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])C(=C3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000095619495 571798406 /nfs/dbraw/zinc/79/84/06/571798406.db2.gz NOHMTCLUYAVQEY-MUOPKLAXSA-N -1 0 472.710 6.349 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5C[C@@H](O)[C@]43C)[C@@H]2[C@H]1C ZINC000095619517 571798447 /nfs/dbraw/zinc/79/84/47/571798447.db2.gz MFYBXHRQBFYAQZ-CTNNXHBSSA-N -1 0 470.694 6.269 1 0 endogenous,in-man JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3C=CC4=C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000095619989 571799263 /nfs/dbraw/zinc/79/92/63/571799263.db2.gz TTYAJXXKGDEWSY-UNVHYYNMSA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C=CC4=C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000095619988 571799277 /nfs/dbraw/zinc/79/92/77/571799277.db2.gz TTYAJXXKGDEWSY-WFCUGJLESA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777587 571824597 /nfs/dbraw/zinc/82/45/97/571824597.db2.gz RWNHLTKFBKYDOJ-ZTUPEKSYSA-N -1 0 488.709 5.177 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2C1 ZINC000100777616 571824698 /nfs/dbraw/zinc/82/46/98/571824698.db2.gz GBMBQYFNPMVAMS-MDVNVPSZSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5=CC[C@]43C)[C@@H]2C1 ZINC000100777733 571825185 /nfs/dbraw/zinc/82/51/85/571825185.db2.gz FJGGNIPUSLFYJJ-UPPSHTCQSA-N -1 0 486.693 5.097 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5=CC[C@]43C)[C@@H]2C1 ZINC000100777735 571825225 /nfs/dbraw/zinc/82/52/25/571825225.db2.gz FJGGNIPUSLFYJJ-ZDCIHVBZSA-N -1 0 486.693 5.097 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5=CC[C@]43C)[C@@H]2C1 ZINC000100777731 571825250 /nfs/dbraw/zinc/82/52/50/571825250.db2.gz FJGGNIPUSLFYJJ-JVBHLDINSA-N -1 0 486.693 5.097 1 0 endogenous,in-man JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@@]1(C)CC3 ZINC000100778891 571829612 /nfs/dbraw/zinc/82/96/12/571829612.db2.gz XKLPFWHBIRYSNP-PZUUXBTASA-N -1 0 454.695 7.586 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000100779929 571832149 /nfs/dbraw/zinc/83/21/49/571832149.db2.gz LBYASJQBHLSHBP-QVYKHYLQSA-N -1 0 488.709 5.321 1 0 endogenous,in-man JKAFRM CC1(C)[C@H](O)CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000100780833 571834049 /nfs/dbraw/zinc/83/40/49/571834049.db2.gz BHVJSLPLFOAMEV-KUQWZAATSA-N -1 0 456.711 7.378 1 0 endogenous,in-man JKAFRM C[C@]12CC[C@H](O)[C@](C)(CO)[C@H]1CC[C@@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])CC(=O)[C@@]3(C)CC[C@]21C ZINC000100782679 571838115 /nfs/dbraw/zinc/83/81/15/571838115.db2.gz MVTZJCYINFKILV-VFZIRNBOSA-N -1 0 486.693 5.385 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100783769 571840695 /nfs/dbraw/zinc/84/06/95/571840695.db2.gz NMCMUIZIKSPDCX-AIXCQRCYSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@]1(C)O ZINC000095619504 574417082 /nfs/dbraw/zinc/41/70/82/574417082.db2.gz UYHSBQDAYWOYNS-XELMCMAMSA-N -1 0 486.693 5.383 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@@H]1C ZINC000100778566 574418810 /nfs/dbraw/zinc/41/88/10/574418810.db2.gz WRACWYWAPQQRKC-PJMHIBPASA-N -1 0 488.709 5.031 1 0 endogenous,in-man JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@@H](C)CC[C@@]5(C)CC[C@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000100778648 574418815 /nfs/dbraw/zinc/41/88/15/574418815.db2.gz YJBVHJIKNLBFDX-LEEJINHSSA-N -1 0 498.748 7.660 1 0 endogenous,in-man JKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)Cc3ccccc3)c1)C1CC1)CCCCCC2 ZINC000100763839 581101479 /nfs/dbraw/zinc/10/14/79/581101479.db2.gz NTSFRQDTBDVECR-RUZDIDTESA-N -1 0 493.625 5.488 1 0 JKAFRM CCc1nnn(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1 ZINC000095572703 541108027 /nfs/dbraw/zinc/10/80/27/541108027.db2.gz UEXYOZPSIJPBGL-LJQANCHMSA-N -1 0 496.567 5.923 1 0 JKAFRM C[C@@H](OC(=O)Nc1c(-c2ccc(C3CCC(CC(=O)[O-])CC3)cc2)nnn1C)c1ccccc1 ZINC000095577403 541108097 /nfs/dbraw/zinc/10/80/97/541108097.db2.gz QVGKIYDRQMXFEP-PGYGNJIDSA-N -1 0 462.550 5.540 1 0 JKAFRM CC(=O)OC[C@]1(C)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](COC(=O)C(C)C)(C(=O)[O-])[C@H]1CC3 ZINC000095918660 291556979 /nfs/dbraw/zinc/55/69/79/291556979.db2.gz FXCVODFIFLVSQZ-DSSDMSAMSA-N -1 0 462.627 5.233 1 0 biogenic,in-vitro JKAFRM CC(C)[C@@](C)(O)[C@@H]1C2=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]2(C)CC[C@]1(C)C(=O)[O-] ZINC000095486197 291565121 /nfs/dbraw/zinc/56/51/21/291565121.db2.gz JGUGPBSHMGKBTJ-NFHAMTCJSA-N -1 0 490.725 5.421 1 0 biogenic,in-vitro JKAFRM CC1(C)CC2=C3C=C[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1=O ZINC000033902655 291566203 /nfs/dbraw/zinc/56/62/03/291566203.db2.gz AWCDPINIVCMMLX-NINJPWCBSA-N -1 0 468.678 6.333 1 0 biogenic,in-vitro JKAFRM CC1(C)CC2=C3C=C[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C(=O)[O-])[C@@H](O)[C@@H]1O ZINC000035261408 291566608 /nfs/dbraw/zinc/56/66/08/291566608.db2.gz MYGUWXUCQPPVCP-NURVQDQSSA-N -1 0 486.693 5.095 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000027646589 291567603 /nfs/dbraw/zinc/56/76/03/291567603.db2.gz MDZKJHQSJHYOHJ-RKFIEESPSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O ZINC000070455319 291567614 /nfs/dbraw/zinc/56/76/14/291567614.db2.gz XJMYUPJDAFKICJ-IOIMTOGDSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H]6CO[C@@H]6CC[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000095099304 291567031 /nfs/dbraw/zinc/56/70/31/291567031.db2.gz ZXPIGLNTJBOZOT-APKSHRTFSA-N -1 0 456.711 7.332 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000003978836 291568825 /nfs/dbraw/zinc/56/88/25/291568825.db2.gz YKOPWPOFWMYZJZ-FMMUPTMQSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1(C)C[C@@H](C(=O)[O-])[C@@H]2CC=C3[C@]4(C)CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C1 ZINC000069482218 291569868 /nfs/dbraw/zinc/56/98/68/291569868.db2.gz NBUCYHFEKQXRQF-MRFUCYEASA-N -1 0 456.711 7.090 1 0 biogenic,in-vitro JKAFRM CCC1C=C(c2cccc(CCc3c(=O)c(OC)c([O-])c4c(O)cc(-c5ccc(O)cc5)oc3-4)c2)C=N1 ZINC000103533342 291585014 /nfs/dbraw/zinc/58/50/14/291585014.db2.gz URQOKHMFGRMYEU-UHFFFAOYSA-N -1 0 496.539 5.714 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@]5(O)CC[C@@]34CO5)[C@@H]2[C@H]1C ZINC000026268768 291595217 /nfs/dbraw/zinc/59/52/17/291595217.db2.gz WFSVWMKYCNCEAW-MFTKVSCJSA-N -1 0 470.694 6.428 1 0 biogenic,in-vitro JKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4C=C[C@]3(O)[C@H]2[C@H]1C ZINC000095098951 291597800 /nfs/dbraw/zinc/59/78/00/291597800.db2.gz VTFXYKFLDFEOFQ-IMPRGPNHSA-N -1 0 458.683 5.670 1 0 biogenic,in-vitro JKAFRM Cc1ccc2c(c1C)C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000035827955 291599586 /nfs/dbraw/zinc/59/95/86/291599586.db2.gz JMQNCNOQIYLMHF-KSSXZEKWSA-N -1 0 452.635 5.298 1 0 biogenic,in-vitro JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@]1(C)C(=O)[O-] ZINC000070455557 560047133 /nfs/dbraw/zinc/04/71/33/560047133.db2.gz YJBVHJIKNLBFDX-UIJHWHGWSA-N -1 0 498.748 7.660 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000070455299 560047351 /nfs/dbraw/zinc/04/73/51/560047351.db2.gz JZFSMVXQUWRSIW-SNSHLSSHSA-N -1 0 456.711 7.234 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H]2CCC3=C(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]34C)[C@@]2(C)CCC1(O)O ZINC000070454602 560048098 /nfs/dbraw/zinc/04/80/98/560048098.db2.gz OLURVDPFXZRKNG-VVWJKDQPSA-N -1 0 472.710 6.698 1 0 biogenic,in-vitro JKAFRM C[C@@]1(C(=O)[O-])CC[C@]2(C)C(=O)C[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@@](C)(CO)[C@H](O)CC[C@@]43C)[C@H]2C1 ZINC000070454398 560048461 /nfs/dbraw/zinc/04/84/61/560048461.db2.gz JLSMRQKPAPRPMB-ATGSHGRSSA-N -1 0 486.693 5.385 1 0 biogenic,in-vitro JKAFRM C[C@H]1C(=O)C=C([O-])[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000103554973 560051664 /nfs/dbraw/zinc/05/16/64/560051664.db2.gz GHYIARLQCDYHKZ-UQOJQWJISA-N -1 0 456.711 6.607 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=C2[C@@H]1O)C=C[C@H]1[C@@]3(C)CC[C@H]2C(C)(C)[C@@H](O)[C@H](O)C[C@]12C ZINC000095919193 560054636 /nfs/dbraw/zinc/05/46/36/560054636.db2.gz UWGUURZRNLDUKU-WFWLQWJNSA-N -1 0 486.693 5.095 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H](O)[C@H](O)C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@H](O)[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000095918947 560054778 /nfs/dbraw/zinc/05/47/78/560054778.db2.gz SIKXTMSMKGXIMX-COHYLTOLSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM CC(C)=CCC[C@@]1(C)C=Cc2c(-c3cc(=O)c4c(O)c(CC=C(C)C)c([O-])cc4o3)ccc(O)c2O1 ZINC000095918872 560054832 /nfs/dbraw/zinc/05/48/32/560054832.db2.gz FNQFXUFXQKOQAE-PMERELPUSA-N -1 0 488.580 6.996 1 0 biogenic,in-vitro JKAFRM CO[C@@H]1C=C2[C@@H]3CC(C)(C)C(=O)C[C@@H]3[C@@H](C(=O)[O-])C[C@@H]2[C@]2(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]12 ZINC000095914559 560055534 /nfs/dbraw/zinc/05/55/34/560055534.db2.gz ZGOJFNDBRAMALX-RUZLCEFQSA-N -1 0 484.677 5.712 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H](O)CC[C@@H]2[C@]13O[C@H]3C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]12C ZINC000085541372 560071577 /nfs/dbraw/zinc/07/15/77/560071577.db2.gz ICXWWEDNOSYVIP-ALFYYBMASA-N -1 0 472.710 6.445 1 0 biogenic,in-vitro JKAFRM CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(/CCCCCCCC(=O)[O-])C[C@H](O)CO ZINC000085490896 560075314 /nfs/dbraw/zinc/07/53/14/560075314.db2.gz VKHCAXQOYGRFEN-DNWXBWBYSA-N -1 0 474.682 5.972 1 0 biogenic,in-vitro JKAFRM CC(C)=CCC/C(C)=C/Cc1cc(-c2oc3c(CC=C(C)C)c([O-])cc(O)c3c(=O)c2O)ccc1O ZINC000034504732 560087206 /nfs/dbraw/zinc/08/72/06/560087206.db2.gz LAJFCURKIQZXBJ-VXLYETTFSA-N -1 0 490.596 7.026 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@@]3(C)CC[C@H]2[C@@](C)(CO)C(=O)CC[C@]12C ZINC000033831840 560088612 /nfs/dbraw/zinc/08/86/12/560088612.db2.gz QPMGGWRRTKBTBO-GWHVKQKCSA-N -1 0 468.678 6.334 1 0 biogenic,in-vitro JKAFRM C[C@@]1(O)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000033831700 560088702 /nfs/dbraw/zinc/08/87/02/560088702.db2.gz KHABBSONZWLPEN-XIRSUAFNSA-N -1 0 458.683 5.958 1 0 biogenic,in-vitro JKAFRM C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]3(C)CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]12C ZINC000032022435 560089247 /nfs/dbraw/zinc/08/92/47/560089247.db2.gz QZNNDFPVPLYXIF-VBUWXTSOSA-N -1 0 456.711 7.522 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@]5(O)CC[C@@]34CO5)[C@@H]2C1 ZINC000032052680 560089433 /nfs/dbraw/zinc/08/94/33/560089433.db2.gz UFVGYQQCHANGSN-SSLXYFFCSA-N -1 0 470.694 6.572 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000003978772 560192778 /nfs/dbraw/zinc/19/27/78/560192778.db2.gz PGOYMURMZNDHNS-DCAIOKEXSA-N -1 0 472.710 6.206 3 0 in-vitro JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000013336510 560214628 /nfs/dbraw/zinc/21/46/28/560214628.db2.gz MDZKJHQSJHYOHJ-ZUPRQTMJSA-N -1 0 472.710 6.204 1 0 in-vitro JKAFRM CC(C)=CCC[C@@]1(C)C=Cc2c3oc(=O)cc(-c4ccccc4)c3c([O-])c(C(=O)C(C)C)c2O1 ZINC000014490543 560221929 /nfs/dbraw/zinc/22/19/29/560221929.db2.gz ZAENIFBTEWKTCS-LJAQVGFWSA-N -1 0 458.554 6.915 1 0 biogenic,in-vitro JKAFRM C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c([O-])c3[C@@H](CC(C)C)[C@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210134 571735818 /nfs/dbraw/zinc/73/58/18/571735818.db2.gz XJFLMCYKZVYATJ-PWMDRIKESA-N -1 0 454.607 6.412 1 0 endogenous,in-man JKAFRM CCOC(=O)[C@@]([N-]c1ccc(Cl)cc1C(F)(F)F)(NC(=O)c1ccccc1)C(F)(F)F ZINC000001650031 562922370 /nfs/dbraw/zinc/92/23/70/562922370.db2.gz UHHDHHUOSDWAES-QGZVFWFLSA-N -1 0 468.781 5.022 1 0 JKAFRM CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000000583906 562918027 /nfs/dbraw/zinc/91/80/27/562918027.db2.gz LYEWIWRMQRJNFS-NRFANRHFSA-N -1 0 499.394 5.542 1 0 JKAFRM CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1)C(=O)[O-] ZINC000000590170 562918100 /nfs/dbraw/zinc/91/81/00/562918100.db2.gz VRHOBXXCNBZJRX-IBGZPJMESA-N -1 0 451.494 5.210 1 0 investigational JKAFRM CCSc1nc2c(C)sc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001533662 562920522 /nfs/dbraw/zinc/92/05/22/562920522.db2.gz ZOEDEYCGZMEXRS-UHFFFAOYSA-N -1 0 476.587 5.112 1 0 JKAFRM O=C([O-])c1ccc(Cl)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(-c3ccccc3)cc1)[C@H]2O ZINC000001536485 562920550 /nfs/dbraw/zinc/92/05/50/562920550.db2.gz MYBPPTDUKUIWHM-RBISFHTESA-N -1 0 470.952 6.657 1 0 JKAFRM CCCSC1=NS(=O)(=O)c2ccccc2N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000001540842 562920905 /nfs/dbraw/zinc/92/09/05/562920905.db2.gz KYQKMUUNUQLYGF-UHFFFAOYSA-N -1 0 466.584 5.260 1 0 JKAFRM CCCOc1ccc2c(c1)c(-c1ccc(OC)cc1)c(C(=O)[O-])n2Cc1ccc2nsnc2c1 ZINC000001545588 562921042 /nfs/dbraw/zinc/92/10/42/562921042.db2.gz KCENERNSZZQRRU-UHFFFAOYSA-N -1 0 473.554 5.857 1 0 JKAFRM CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(CCC(=O)[O-])cc3C(F)(F)F)cc21 ZINC000001553027 562921254 /nfs/dbraw/zinc/92/12/54/562921254.db2.gz NMTUNXAZFPBDHE-UHFFFAOYSA-N -1 0 459.386 7.138 1 0 JKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1 ZINC000001553275 562921321 /nfs/dbraw/zinc/92/13/21/562921321.db2.gz MSWIVEQMJMBBNJ-HHHXNRCGSA-N -1 0 473.009 6.794 1 0 JKAFRM O=C([O-])CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001914951 562924236 /nfs/dbraw/zinc/92/42/36/562924236.db2.gz UQKNBUMTTCHIOJ-UHFFFAOYSA-N -1 0 452.598 7.699 1 0 JKAFRM CC(C)Cc1ccc([C@@H](C)Oc2ccc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)cc2)cc1 ZINC000002013539 562924610 /nfs/dbraw/zinc/92/46/10/562924610.db2.gz SMSOYFGWXDACGL-JOCHJYFZSA-N -1 0 483.608 7.076 1 0 JKAFRM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc12 ZINC000002113367 562924781 /nfs/dbraw/zinc/92/47/81/562924781.db2.gz KIEVDFRSMMJDAN-QHCPKHFHSA-N -1 0 489.568 5.198 1 0 JKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(C(C)=O)c1OC ZINC000003784465 562927894 /nfs/dbraw/zinc/92/78/94/562927894.db2.gz ZVVCSBSDFGYRCB-VWLOTQADSA-N -1 0 484.589 5.429 1 0 investigational JKAFRM O=C([O-])CCc1cccc(Cc2ccccc2-c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 ZINC000003790813 562928129 /nfs/dbraw/zinc/92/81/29/562928129.db2.gz KXKYLOYWJBFCFC-UHFFFAOYSA-N -1 0 488.628 6.430 1 0 JKAFRM O=C([O-])CCc1ccccc1C[C@H]1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000003790782 562928162 /nfs/dbraw/zinc/92/81/62/562928162.db2.gz REOJLAXLWPJOTB-JWQCQUIFSA-N -1 0 480.649 6.299 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3ccccc3)cn1)=C2 ZINC000003793173 562928220 /nfs/dbraw/zinc/92/82/20/562928220.db2.gz JJCAKGUDOJOESH-UHFFFAOYSA-N -1 0 450.538 5.557 1 0 JKAFRM CC(C)Cc1ccc([C@]2(C)Oc3ccc(C(=O)c4cn(CCCC(=O)[O-])c5ccccc45)cc3O2)cc1 ZINC000003795976 562928315 /nfs/dbraw/zinc/92/83/15/562928315.db2.gz KIMLMLODGDVZSJ-WJOKGBTCSA-N -1 0 497.591 6.580 1 0 JKAFRM COc1ccc(Cc2cccc3c2C[C@H](C(=O)[O-])N(C(=O)N(c2ccccc2)c2ccccc2)C3)cc1 ZINC000003796598 562928341 /nfs/dbraw/zinc/92/83/41/562928341.db2.gz GMIRUEZGTURLHL-GDLZYMKVSA-N -1 0 492.575 6.056 1 0 JKAFRM O=C([O-])CCc1ccccc1CN1CCC[C@@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000003802540 562928522 /nfs/dbraw/zinc/92/85/22/562928522.db2.gz NDMASZNNTXBTGH-RUZDIDTESA-N -1 0 481.637 5.509 1 0 JKAFRM COc1cccc(OC)c1C(=O)C[C@H](CC(=O)c1ccc(F)cc1)c1cccc(C(=O)[O-])c1 ZINC000003812591 562928792 /nfs/dbraw/zinc/92/87/92/562928792.db2.gz BHYFSAGBJNILQS-IBGZPJMESA-N -1 0 450.462 5.171 1 0 JKAFRM CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000003817162 562928951 /nfs/dbraw/zinc/92/89/51/562928951.db2.gz BEESZPXMMFEPAP-RUZDIDTESA-N -1 0 495.572 6.443 1 0 JKAFRM COc1cc(-c2nc(OC(C)C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000003961823 562931075 /nfs/dbraw/zinc/93/10/75/562931075.db2.gz GOSXNLFAIVNWCX-IBGZPJMESA-N -1 0 497.613 5.958 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2C(=O)[O-])c(Cl)c1Cl ZINC000003965938 562931211 /nfs/dbraw/zinc/93/12/11/562931211.db2.gz LBFPLUWTLKUUCU-OTWHNJEPSA-N -1 0 492.468 6.837 1 0 JKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1 ZINC000003989108 562931693 /nfs/dbraw/zinc/93/16/93/562931693.db2.gz IBAKQHNUVPCAOH-OAQYLSRUSA-N -1 0 474.859 5.645 1 0 JKAFRM CC[C@@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3F)cc2O1 ZINC000003992540 562931739 /nfs/dbraw/zinc/93/17/39/562931739.db2.gz AKDZHLYKWMYKAK-MHZLTWQESA-N -1 0 466.505 6.024 1 0 JKAFRM C=C(C(=O)N1C[C@@H]2[C@](C(=O)[O-])(C1)[C@@H]1CC[C@@]2(c2ccc(C)cc2)c2ccccc21)c1ccccc1OC ZINC000004393367 562933317 /nfs/dbraw/zinc/93/33/17/562933317.db2.gz OMXJXAHPPQYWRS-OGCSMFTJSA-N -1 0 493.603 5.424 1 0 JKAFRM CCN1c2ccc(C(C)=O)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000006716424 562938103 /nfs/dbraw/zinc/93/81/03/562938103.db2.gz PXMJCQZBLZDXOL-UHFFFAOYSA-N -1 0 494.635 7.577 1 0 JKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc3ccccc3c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008021513 562938658 /nfs/dbraw/zinc/93/86/58/562938658.db2.gz DUODGSPKMMYJMC-MHZLTWQESA-N -1 0 486.568 5.569 3 0 JKAFRM CC(C)[C@@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000008660361 562948654 /nfs/dbraw/zinc/94/86/54/562948654.db2.gz OFQHILGMYPWRGQ-GJQLARLBSA-N -1 0 475.714 5.648 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000008681309 562951206 /nfs/dbraw/zinc/95/12/06/562951206.db2.gz MIJYXULNPSFWEK-CTPSLABWSA-N -1 0 456.711 7.234 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000008681454 562951222 /nfs/dbraw/zinc/95/12/22/562951222.db2.gz PGOYMURMZNDHNS-CFGQQANUSA-N -1 0 472.710 6.206 1 0 JKAFRM CCCCCc1c2c(cc(O)c1C(=O)[O-])OC(=O)c1cc(C(=O)CCCC)c(OC)cc1O2 ZINC000008681802 562951314 /nfs/dbraw/zinc/95/13/14/562951314.db2.gz RQGOSSYDPQTDRA-UHFFFAOYSA-N -1 0 456.491 5.530 3 0 aggregator JKAFRM O=C([O-])Cn1cc(Cc2nc3c(s2)c(F)cc(F)c3F)c2cc(-c3ccccc3)ccc21 ZINC000011536154 562957378 /nfs/dbraw/zinc/95/73/78/562957378.db2.gz DYOULQGOKGJGJL-UHFFFAOYSA-N -1 0 452.457 6.011 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2C)c(Cl)c1 ZINC000011687258 562957485 /nfs/dbraw/zinc/95/74/85/562957485.db2.gz APSWMQVSEDQAFN-XMMPIXPASA-N -1 0 463.965 5.825 1 0 JKAFRM CC(C)c1cc2c(nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)s1 ZINC000011689449 562957590 /nfs/dbraw/zinc/95/75/90/562957590.db2.gz GBWJNBAAWUNROW-BGGMYYEUSA-N -1 0 471.594 5.949 1 0 JKAFRM CCO[C@@H](Cc1ccc(OCC=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C(=O)[O-] ZINC000012358219 562959555 /nfs/dbraw/zinc/95/95/55/562959555.db2.gz QAXXXYINXOAMIX-MHZLTWQESA-N -1 0 462.542 5.247 1 0 JKAFRM CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358280 562959601 /nfs/dbraw/zinc/95/96/01/562959601.db2.gz RKCQYASPVGXAQL-RUZDIDTESA-N -1 0 495.572 6.443 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358262 562959606 /nfs/dbraw/zinc/95/96/06/562959606.db2.gz LOLZZGVVIXBCSY-RUZDIDTESA-N -1 0 477.582 6.303 1 0 JKAFRM O=C([O-])CCc1ccccc1OCC[C@@H]1Oc2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000012358447 562959644 /nfs/dbraw/zinc/95/96/44/562959644.db2.gz VYXYPUPDSRFYSO-DEOSSOPVSA-N -1 0 465.933 5.121 1 0 JKAFRM Cc1ccc2c(c1)O[C@H](CCOc1ccccc1CC(=O)[O-])C(=O)N2Cc1ccc(Cl)cc1 ZINC000012358473 562959731 /nfs/dbraw/zinc/95/97/31/562959731.db2.gz ZORXUFKPQVOLOM-HSZRJFAPSA-N -1 0 465.933 5.039 1 0 JKAFRM CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358502 562959755 /nfs/dbraw/zinc/95/97/55/562959755.db2.gz OZZBRLWUSGYQBE-SANMLTNESA-N -1 0 489.593 5.742 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)CC[C@](C)(C(=O)[O-])O2 ZINC000012358543 562959787 /nfs/dbraw/zinc/95/97/87/562959787.db2.gz RPSODICFAFEDQP-SSEXGKCCSA-N -1 0 490.596 6.838 1 0 JKAFRM CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358509 562959808 /nfs/dbraw/zinc/95/98/08/562959808.db2.gz AVJJHRSFYPNIRZ-AREMUKBSSA-N -1 0 479.642 6.859 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)CC[C@](C)(C(=O)[O-])O2 ZINC000012358541 562959834 /nfs/dbraw/zinc/95/98/34/562959834.db2.gz ZCMGKKCGIMLNEL-GDLZYMKVSA-N -1 0 476.569 6.448 1 0 JKAFRM CCCc1cc2c(=O)n(C(C)C)oc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(CC(C)C)cc1 ZINC000012358601 562959908 /nfs/dbraw/zinc/95/99/08/562959908.db2.gz BAQTWFGAUSSHPN-VWLOTQADSA-N -1 0 467.606 6.484 1 0 JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000012726007 562960819 /nfs/dbraw/zinc/96/08/19/562960819.db2.gz CZWBKSDPBWNHGO-BXNIJLRASA-N -1 0 472.710 6.206 3 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000012726409 562960879 /nfs/dbraw/zinc/96/08/79/562960879.db2.gz CZWBKSDPBWNHGO-AHJCBHEUSA-N -1 0 472.710 6.206 3 0 JKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3ccccc3c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000013125825 562961465 /nfs/dbraw/zinc/96/14/65/562961465.db2.gz DUODGSPKMMYJMC-HHHXNRCGSA-N -1 0 486.568 5.569 3 0 JKAFRM [O-]c1c(Cl)c(Oc2ccc(Cl)cc2Cl)cc(Oc2ccc(Cl)cc2Cl)c1Cl ZINC000013312544 562962038 /nfs/dbraw/zinc/96/20/38/562962038.db2.gz WVDKKFQPVUPWQK-UHFFFAOYSA-N -1 0 484.977 8.897 1 0 JKAFRM COc1cc(CCNC(=O)c2ccc([O-])c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 ZINC000013439070 562962763 /nfs/dbraw/zinc/96/27/63/562962763.db2.gz CYHKZTFZZFYCMM-UHFFFAOYSA-N -1 0 483.992 5.738 1 0 JKAFRM CCc1c(CC(N)=O)c2cc(SCCCC(=O)[O-])c(C(C)C)cc2n1Cc1ccccc1 ZINC000013446173 562964138 /nfs/dbraw/zinc/96/41/38/562964138.db2.gz KPHDLVKBCUWKHV-UHFFFAOYSA-N -1 0 452.620 5.360 1 0 JKAFRM O=C([O-])CCCCCCCCn1nc(-c2ccccc2)c(Cc2ccccc2)c1-c1ccccc1 ZINC000013448458 562964465 /nfs/dbraw/zinc/96/44/65/562964465.db2.gz USLAVCXZMBJIJE-UHFFFAOYSA-N -1 0 466.625 7.623 1 0 JKAFRM O=C([O-])[C@H]1C[C@H](NC(=O)C2c3ccccc3-c3ccccc32)c2c(Cl)cc(Cl)cc2N1 ZINC000013455296 562964974 /nfs/dbraw/zinc/96/49/74/562964974.db2.gz QYPYDRIJPVJFPY-VQTJNVASSA-N -1 0 453.325 5.232 1 0 JKAFRM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c3ccccc23)CC1 ZINC000013470573 562965379 /nfs/dbraw/zinc/96/53/79/562965379.db2.gz ITUZNSWOVFKHBK-UXBLZVDNSA-N -1 0 475.566 5.099 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC000013470560 562965392 /nfs/dbraw/zinc/96/53/92/562965392.db2.gz SYGPJZDISKKEIV-CSKARUKUSA-N -1 0 478.441 6.604 1 0 JKAFRM COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000013470584 562965402 /nfs/dbraw/zinc/96/54/02/562965402.db2.gz AKSYYTVXRGFZRN-VQHVLOKHSA-N -1 0 465.493 5.202 1 0 JKAFRM COc1ccc(C2=C(C(=O)[O-])[C@H](c3ccc(C(C)C)cc3)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473404 562966200 /nfs/dbraw/zinc/96/62/00/562966200.db2.gz GZWJPXCACPATMS-NDEPHWFRSA-N -1 0 458.554 6.626 1 0 JKAFRM CCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1ccc(OC)cc1)O2 ZINC000013473411 562966232 /nfs/dbraw/zinc/96/62/32/562966232.db2.gz ZUSUBGWFWBUKQL-SANMLTNESA-N -1 0 460.482 5.233 1 0 JKAFRM CCCOc1ccc2c(c1)O[C@H](c1ccc3c(c1)OCO3)C(C(=O)[O-])=C2c1ccc(OC)cc1 ZINC000013473391 562966237 /nfs/dbraw/zinc/96/62/37/562966237.db2.gz QUWOEEIDQUFCII-AREMUKBSSA-N -1 0 460.482 5.233 1 0 JKAFRM CCCCCCOC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473440 562966276 /nfs/dbraw/zinc/96/62/76/562966276.db2.gz LXXBIHJQBOYKLU-DEOSSOPVSA-N -1 0 454.519 5.729 1 0 JKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1cccc(OC)c1)O2 ZINC000013473421 562966278 /nfs/dbraw/zinc/96/62/78/562966278.db2.gz JSKXTOKWSUOTKS-MHZLTWQESA-N -1 0 474.509 5.623 1 0 JKAFRM Cc1ccc(C2=C(C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)s1 ZINC000013473489 562966301 /nfs/dbraw/zinc/96/63/01/562966301.db2.gz FSKVJGRQYIHVTI-DEOSSOPVSA-N -1 0 450.512 5.593 1 0 JKAFRM CC1(C)CCC[C@]2(C)[C@H]3CC/C(=C\OS(=O)(=O)[O-])[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12 ZINC000013476566 562967171 /nfs/dbraw/zinc/96/71/71/562967171.db2.gz WGQUKTHZSJRQFE-GEODRWFOSA-N -1 0 450.641 6.574 1 0 JKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000013489822 562968938 /nfs/dbraw/zinc/96/89/38/562968938.db2.gz CMSDXPRWNWLWKN-UHFFFAOYSA-N -1 0 482.207 6.711 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2COC(C)C)c1C ZINC000013492871 562970068 /nfs/dbraw/zinc/97/00/68/562970068.db2.gz XJUXAAFCMXUBET-UHFFFAOYSA-N -1 0 467.547 5.339 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2cccc(-c3ccccc3)c2)[C@@H]2CC[C@H]1C2 ZINC000013521230 562970900 /nfs/dbraw/zinc/97/09/00/562970900.db2.gz RRAGDQHRXDNMBM-QIXBOIAMSA-N -1 0 453.604 5.248 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(/C=C\c3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521267 562970945 /nfs/dbraw/zinc/97/09/45/562970945.db2.gz OMCCGYMNFCTGMB-JQMLSWRSSA-N -1 0 479.642 5.751 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(CCc3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521273 562970955 /nfs/dbraw/zinc/97/09/55/562970955.db2.gz FHOUASPQBXBFSU-CWORAHIDSA-N -1 0 481.658 5.366 1 0 JKAFRM O=C([O-])CCCCCC[C@H]1[C@H](NS(=O)(=O)c2ccc3oc4ccccc4c3c2)[C@@H]2CC[C@H]1C2 ZINC000013521348 562970964 /nfs/dbraw/zinc/97/09/64/562970964.db2.gz UHLFFBILDUMNAT-GFWUTJIGSA-N -1 0 469.603 5.704 1 0 JKAFRM O=C([O-])[C@H]1[C@H](Sc2ccc(-c3ccc(Cl)cc3)cc2)CC[C@@H]1Cn1nnc2ccccc2c1=O ZINC000013525858 562971431 /nfs/dbraw/zinc/97/14/31/562971431.db2.gz QKYPFBUZQDJQHX-DQMJNTIXSA-N -1 0 492.000 5.384 1 0 JKAFRM CC(/C=C/c1sccc1-c1cc(C(C)C)cc(C(C)C)c1OCC(F)(F)F)=C\C(=O)[O-] ZINC000013527165 562971657 /nfs/dbraw/zinc/97/16/57/562971657.db2.gz XMMBYJXSOLEASQ-XDHFRCMDSA-N -1 0 452.538 7.647 1 0 JKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000013539316 562972983 /nfs/dbraw/zinc/97/29/83/562972983.db2.gz KWVHTJRFJCTACX-GOSISDBHSA-N -1 0 455.860 6.610 1 0 JKAFRM CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000013553661 562973397 /nfs/dbraw/zinc/97/33/97/562973397.db2.gz VSCDIBRPSQPEET-SANMLTNESA-N -1 0 497.657 6.613 1 0 JKAFRM O=S(=O)([N-]c1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1)C(F)(F)F ZINC000013560077 562975188 /nfs/dbraw/zinc/97/51/88/562975188.db2.gz CTINILPLIOIULZ-QPJJXVBHSA-N -1 0 462.880 6.473 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2Cl)c1Cl ZINC000013560311 562975371 /nfs/dbraw/zinc/97/53/71/562975371.db2.gz OWQMCIHPQRAVTL-UHFFFAOYSA-N -1 0 460.364 5.021 1 0 JKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2C)cc1 ZINC000013585239 562976356 /nfs/dbraw/zinc/97/63/56/562976356.db2.gz JOGMGDBIBSPFDB-UHFFFAOYSA-N -1 0 489.663 5.382 1 0 JKAFRM O=C([O-])C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(F)c2)C1 ZINC000013586606 562976748 /nfs/dbraw/zinc/97/67/48/562976748.db2.gz LSXRZLMJNWYNPW-UHFFFAOYSA-N -1 0 465.468 5.668 1 0 JKAFRM CCCCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(F)(F)C(F)(F)F)cc1C(C)C ZINC000013587544 562977182 /nfs/dbraw/zinc/97/71/82/562977182.db2.gz UXAOHICPAFHSTJ-HYFQCHPWSA-N -1 0 460.483 7.633 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2cc(Cl)ccc12 ZINC000013588153 562977448 /nfs/dbraw/zinc/97/74/48/562977448.db2.gz QOROPRUYPVIPED-UHFFFAOYSA-N -1 0 481.979 7.230 1 0 JKAFRM CC(C)c1ccc(O[C@](C)(C(=O)[N-]S(=O)(=O)C(F)(F)F)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000013604914 562978640 /nfs/dbraw/zinc/97/86/40/562978640.db2.gz ZCVPLBOTHLLRCC-VLIAUNLRSA-N -1 0 477.932 5.370 1 0 JKAFRM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)c(Oc2ccccc2)c1 ZINC000013611212 562979338 /nfs/dbraw/zinc/97/93/38/562979338.db2.gz AGRSYXKXDQDTLY-UHFFFAOYSA-N -1 0 493.437 6.995 1 0 JKAFRM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH]cc(CCN3CCOCC3)c2c1 ZINC000013611757 562979488 /nfs/dbraw/zinc/97/94/88/562979488.db2.gz PREWUSRAKQXGHO-UHFFFAOYSA-N -1 0 490.050 5.020 1 0 JKAFRM CC[C@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671828 562982545 /nfs/dbraw/zinc/98/25/45/562982545.db2.gz NYVCWCQOBZBISN-HXUWFJFHSA-N -1 0 460.832 5.255 1 0 JKAFRM O=C([O-])[C@@]1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671823 562982557 /nfs/dbraw/zinc/98/25/57/562982557.db2.gz TZIWMCOVGUSGHT-LJQANCHMSA-N -1 0 498.803 5.613 1 0 JKAFRM CCCc1cc(SC(F)(F)F)ccc1OCCCOc1ccc2c(c1)C[C@](CC)(C(=O)[O-])O2 ZINC000013671837 562982611 /nfs/dbraw/zinc/98/26/11/562982611.db2.gz JYEWQWZFTYOTGP-HSZRJFAPSA-N -1 0 484.536 6.267 1 0 JKAFRM CC(C)[C@@]1(C(=O)[O-])Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671864 562982628 /nfs/dbraw/zinc/98/26/28/562982628.db2.gz UHVVWTZWBOSSCE-HXUWFJFHSA-N -1 0 460.832 5.111 1 0 JKAFRM CC[C@@]1(C(=O)[O-])Cc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1 ZINC000013671859 562982635 /nfs/dbraw/zinc/98/26/35/562982635.db2.gz BLLKMHPEGRBPKA-FQEVSTJZSA-N -1 0 460.832 5.255 1 0 JKAFRM CC[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671855 562982640 /nfs/dbraw/zinc/98/26/40/562982640.db2.gz IUZYEVSRBUMFHK-NRFANRHFSA-N -1 0 458.860 5.461 1 0 JKAFRM CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(C(=O)[O-])cc2)[C@H]1O ZINC000013673018 562982746 /nfs/dbraw/zinc/98/27/46/562982746.db2.gz NIQNLLIYRPATSB-JWQCQUIFSA-N -1 0 487.662 5.098 1 0 JKAFRM Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674690 562983134 /nfs/dbraw/zinc/98/31/34/562983134.db2.gz UOENESGQJOIQSX-UHFFFAOYSA-N -1 0 483.612 6.485 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013677954 562983686 /nfs/dbraw/zinc/98/36/86/562983686.db2.gz FVIOTIMMQMLVMV-UHFFFAOYSA-N -1 0 462.424 5.296 1 0 JKAFRM Cc1c(CCOc2cc(C(=O)[O-])on2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678418 562983704 /nfs/dbraw/zinc/98/37/04/562983704.db2.gz RHQROKKYSBRSGA-UHFFFAOYSA-N -1 0 486.955 6.549 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013678000 562983719 /nfs/dbraw/zinc/98/37/19/562983719.db2.gz DMGBQZXHAZWKHM-UHFFFAOYSA-N -1 0 484.552 6.335 1 0 JKAFRM CC(C)C(=O)Nc1cc2c(cc1CCc1cccc3ccccc31)[C@@H](C(=O)[O-])C[C@@H]2c1cccs1 ZINC000013679508 562984005 /nfs/dbraw/zinc/98/40/05/562984005.db2.gz JPSNFQFECJIVDG-UIOOFZCWSA-N -1 0 483.633 6.985 1 0 JKAFRM O=C([O-])COc1cccc(CCn2nc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1 ZINC000013727465 562984982 /nfs/dbraw/zinc/98/49/82/562984982.db2.gz JGMASWJZDKWRLK-UHFFFAOYSA-N -1 0 474.560 6.590 1 0 JKAFRM O=C([O-])CCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1=O ZINC000013727551 562985040 /nfs/dbraw/zinc/98/50/40/562985040.db2.gz XKRYPIOTRMVQMT-UHFFFAOYSA-N -1 0 466.581 6.670 1 0 JKAFRM O=C([O-])COc1cccc(CCc2cc(-c3ccccc3)n(C(c3ccccc3)c3ccccc3)n2)c1 ZINC000013727471 562985066 /nfs/dbraw/zinc/98/50/66/562985066.db2.gz KVRMCAIQIMVRSZ-UHFFFAOYSA-N -1 0 488.587 6.436 1 0 JKAFRM O=C([O-])[C@H]1Cc2cc(Oc3ccccc3)ccc2CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013731569 562985201 /nfs/dbraw/zinc/98/52/01/562985201.db2.gz PIPJSFBWYDVNLK-HHHXNRCGSA-N -1 0 463.533 5.649 1 0 JKAFRM CCCCc1nc2ccc(N3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732050 562985342 /nfs/dbraw/zinc/98/53/42/562985342.db2.gz AARLGRJNBAYPPW-UHFFFAOYSA-N -1 0 467.613 6.783 1 0 JKAFRM CCCCc1nc2ccc(NC(=O)N(C)C)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732056 562985349 /nfs/dbraw/zinc/98/53/49/562985349.db2.gz NQDYXMOKAOJVNU-UHFFFAOYSA-N -1 0 470.573 5.886 1 0 JKAFRM CN(CCc1ccc(/C(=C\CCCC(=O)[O-])c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013733201 562985594 /nfs/dbraw/zinc/98/55/94/562985594.db2.gz RERMKDAOFJRCJU-KXEZBXAJSA-N -1 0 499.032 5.285 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2Cc2ccc(C)cc2)c1 ZINC000013742349 562987344 /nfs/dbraw/zinc/98/73/44/562987344.db2.gz XRRJDRHTFRILQF-RELWKKBWSA-N -1 0 482.580 6.284 1 0 JKAFRM CCCC(CCC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742329 562987353 /nfs/dbraw/zinc/98/73/53/562987353.db2.gz WCKRNKSWKZQSTQ-XUTLUUPISA-N -1 0 476.617 7.068 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000013742346 562987373 /nfs/dbraw/zinc/98/73/73/562987373.db2.gz HJVLGDNJKAKKCT-DYTRJAOYSA-N -1 0 468.553 5.975 1 0 JKAFRM COc1cc2c(cc1C(C)C)CCc1c(-c3ccc(C(=O)[O-])cc3)cn(Cc3cccnc3)c1-2 ZINC000013742709 562987569 /nfs/dbraw/zinc/98/75/69/562987569.db2.gz QKEJOYUJIFWGBW-UHFFFAOYSA-N -1 0 452.554 6.194 1 0 JKAFRM CC[C@@H](c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1)c1c([O-])c2ccccc2oc1=O ZINC000013743232 562987648 /nfs/dbraw/zinc/98/76/48/562987648.db2.gz YZCVXRDEIPEXJM-FPOVZHCZSA-N -1 0 492.572 5.379 1 0 JKAFRM CC(C)(C)OC(=O)NCC(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744217 562987824 /nfs/dbraw/zinc/98/78/24/562987824.db2.gz QISLIVQOJUGEHI-HSZRJFAPSA-N -1 0 496.604 5.010 1 0 JKAFRM Cc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013744987 562987929 /nfs/dbraw/zinc/98/79/29/562987929.db2.gz WMWRKGRHVTXXNA-VWLOTQADSA-N -1 0 493.625 5.656 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Oc1c(C(C)C)cc(O)cc1C(C)C ZINC000013747624 562988452 /nfs/dbraw/zinc/98/84/52/562988452.db2.gz BWLRTGCFZCZRCB-UHFFFAOYSA-N -1 0 477.623 6.298 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C ZINC000013747517 562988455 /nfs/dbraw/zinc/98/84/55/562988455.db2.gz BFMXNCTZYSKDFB-UHFFFAOYSA-N -1 0 489.678 6.941 1 0 JKAFRM CC(C)(C)c1cccc(C(C)(C)C)c1OC(=O)[N-]S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000013747479 562988469 /nfs/dbraw/zinc/98/84/69/562988469.db2.gz XZRZSBBHLWUMNI-UHFFFAOYSA-N -1 0 494.657 5.994 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NS(=O)(=O)[N-]C(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000013747464 562988472 /nfs/dbraw/zinc/98/84/72/562988472.db2.gz JSPGYCREXMEBNY-UHFFFAOYSA-N -1 0 460.640 6.626 1 0 JKAFRM CC(C)c1ccc(OC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 ZINC000013747617 562988475 /nfs/dbraw/zinc/98/84/75/562988475.db2.gz QNRZQMCIWNICBC-UHFFFAOYSA-N -1 0 461.624 6.592 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)[O-])cc2cc(OCc3ccccc3)ccc21 ZINC000013758692 562989015 /nfs/dbraw/zinc/98/90/15/562989015.db2.gz MNPGQDBQHGXNFX-UHFFFAOYSA-N -1 0 453.538 5.361 1 0 JKAFRM O=C([O-])/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(Cl)cc1 ZINC000013758984 562989074 /nfs/dbraw/zinc/98/90/74/562989074.db2.gz DKFXKRDXBHWXLH-PKNBQFBNSA-N -1 0 494.827 7.053 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)[O-])cc2c(OCc3ccccc3)cccc12 ZINC000013758700 562989075 /nfs/dbraw/zinc/98/90/75/562989075.db2.gz RUHYABXIRBYOFG-UHFFFAOYSA-N -1 0 481.592 5.680 1 0 JKAFRM C/C(=C\c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)Nc1ccccc1OCCCC(=O)[O-] ZINC000013760642 562989462 /nfs/dbraw/zinc/98/94/62/562989462.db2.gz TWVIFXJXMNIUNF-DYTRJAOYSA-N -1 0 468.553 5.975 1 0 JKAFRM CCCn1nc(Cc2ccccc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013760998 562989742 /nfs/dbraw/zinc/98/97/42/562989742.db2.gz CPVVUAHCXVDNNG-UHFFFAOYSA-N -1 0 478.556 5.020 1 0 JKAFRM CC(C)[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761712 562990170 /nfs/dbraw/zinc/99/01/70/562990170.db2.gz FDBMQZFGLNMCLV-XMMPIXPASA-N -1 0 499.604 5.732 1 0 JKAFRM Cc1ccccc1[C@H](CCC(=O)[O-])Oc1cc(OCc2ccsc2)ccc1-c1ccccn1 ZINC000013780334 562991778 /nfs/dbraw/zinc/99/17/78/562991778.db2.gz BRFPHZRJHAJJMA-VWLOTQADSA-N -1 0 459.567 6.682 1 0 JKAFRM Cc1ccccc1[C@@H](CCC(=O)[O-])Oc1cc(OCc2ccsc2)ccc1-c1ccccn1 ZINC000013780333 562991827 /nfs/dbraw/zinc/99/18/27/562991827.db2.gz BRFPHZRJHAJJMA-RUZDIDTESA-N -1 0 459.567 6.682 1 0 JKAFRM COC(=O)c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc([O-])c(Cl)c4)nc3c2)c1 ZINC000013782385 562992563 /nfs/dbraw/zinc/99/25/63/562992563.db2.gz WZWRFTUZZBHHSL-UHFFFAOYSA-N -1 0 482.945 5.263 1 0 JKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCc3ccccc3)co2)cc1)c1cccnc1 ZINC000013782517 562992583 /nfs/dbraw/zinc/99/25/83/562992583.db2.gz DOIVAJMCRLNJKI-KBKYJPHKSA-N -1 0 495.579 5.786 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1ccc(NCc2ccncc2)cc1-c1cccc2ccccc21)C(=O)[O-] ZINC000013796746 562993248 /nfs/dbraw/zinc/99/32/48/562993248.db2.gz UPLOQONPZIFQRI-MHZLTWQESA-N -1 0 467.569 5.743 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1ccc(NCc2ncc[nH]2)cc1-c1cccc2ccccc21)C(=O)[O-] ZINC000013796743 562993258 /nfs/dbraw/zinc/99/32/58/562993258.db2.gz WKLYKVGIWYWSHH-DEOSSOPVSA-N -1 0 456.546 5.071 1 0 JKAFRM Cc1ccc(CCCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000013799578 562993741 /nfs/dbraw/zinc/99/37/41/562993741.db2.gz OCZIRSIFHBBDKN-MUUNZHRXSA-N -1 0 496.607 5.827 1 0 JKAFRM C[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804779 562994919 /nfs/dbraw/zinc/99/49/19/562994919.db2.gz LVXNVVZRNSMDMZ-FQEVSTJZSA-N -1 0 490.559 6.336 1 0 JKAFRM C[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804774 562994949 /nfs/dbraw/zinc/99/49/49/562994949.db2.gz ZASLYZMVFOXXHL-FQEVSTJZSA-N -1 0 490.559 6.085 1 0 JKAFRM C[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804793 562995023 /nfs/dbraw/zinc/99/50/23/562995023.db2.gz ATPTYEVNGXTWTI-FQEVSTJZSA-N -1 0 490.559 6.336 1 0 JKAFRM CCCCc1oc2ccccc2c1Cc1ccc2c(ccc(OCC(=O)[O-])c2Br)c1 ZINC000013806818 562995225 /nfs/dbraw/zinc/99/52/25/562995225.db2.gz IMEBSWLHNBNBEQ-UHFFFAOYSA-N -1 0 467.359 6.745 1 0 JKAFRM CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(C(=O)[O-])c-2cc1 ZINC000013826312 562998519 /nfs/dbraw/zinc/99/85/19/562998519.db2.gz WJIVAQHWROOHNJ-UHFFFAOYSA-N -1 0 459.995 5.568 1 0 JKAFRM CCCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)[O-])cc2)c2cc(C(C)C)cccc1-2 ZINC000013826253 562998538 /nfs/dbraw/zinc/99/85/38/562998538.db2.gz RXNSPLFCLVSXFH-UHFFFAOYSA-N -1 0 483.630 5.242 1 0 JKAFRM CC(C)c1ccc2c(CCCCCCNS(=O)(=O)c3ccccc3)cc(C(=O)[O-])c-2cc1 ZINC000013826283 562998563 /nfs/dbraw/zinc/99/85/63/562998563.db2.gz DJNULGZZMKGCAG-UHFFFAOYSA-N -1 0 453.604 5.694 1 0 JKAFRM CCCCc1nc2cc(Cl)cc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828072 562998972 /nfs/dbraw/zinc/99/89/72/562998972.db2.gz HAXHSQMTBDCHCE-UHFFFAOYSA-N -1 0 486.963 5.626 1 0 JKAFRM CC[C@H](C)c1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832270 562999578 /nfs/dbraw/zinc/99/95/78/562999578.db2.gz GNEUXAAUDSOSCG-INIZCTEOSA-N -1 0 452.518 5.143 1 0 JKAFRM CCCCC1=NC2(CCC(c3ccccc3)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833575 563000574 /nfs/dbraw/zinc/00/05/74/563000574.db2.gz RDEUFLVHGARXDY-UHFFFAOYSA-N -1 0 494.635 7.079 1 0 JKAFRM CCCCc1nn(-c2ccccc2C)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013833912 563000663 /nfs/dbraw/zinc/00/06/63/563000663.db2.gz JXROGJXBLOJTEK-UHFFFAOYSA-N -1 0 492.583 5.659 1 0 JKAFRM Cc1cc(C)cc(-c2c(-c3ccc(F)cc3)nc(C(C)C)n2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1 ZINC000013833960 563000714 /nfs/dbraw/zinc/00/07/14/563000714.db2.gz LYUVRKOESGKHFS-GZURJRJYSA-N -1 0 466.553 5.154 1 0 JKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=S)[S-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013862240 563002800 /nfs/dbraw/zinc/00/28/00/563002800.db2.gz UMKIEPWBYIKAPS-AYPRRHFASA-N -1 0 464.825 8.708 1 0 JKAFRM CC(=O)O[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@@H]2CC(=O)[O-])C(=O)C1 ZINC000013862236 563002806 /nfs/dbraw/zinc/00/28/06/563002806.db2.gz GFTWFYLFSOGAEP-XGRWYXQASA-N -1 0 476.698 6.673 1 0 JKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCC(=O)[O-] ZINC000013863465 563003438 /nfs/dbraw/zinc/00/34/38/563003438.db2.gz IAQZKDQBUKXOIW-FCHUYYIVSA-N -1 0 468.594 5.180 1 0 JKAFRM CCc1c(C)sc2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c21 ZINC000013888852 563004269 /nfs/dbraw/zinc/00/42/69/563004269.db2.gz KHFBIGCXMRKFAB-MMKWGKFASA-N -1 0 471.594 5.696 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013906996 563004448 /nfs/dbraw/zinc/00/44/48/563004448.db2.gz IQLSKBSHWTVSQV-UKILVPOCSA-N -1 0 453.538 6.598 1 0 JKAFRM O=C([O-])CCc1ccccc1CN1C(=O)CC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000013904756 563004462 /nfs/dbraw/zinc/00/44/62/563004462.db2.gz HMUZODWLPYBTPS-DEOSSOPVSA-N -1 0 495.620 5.036 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)[O-])c(Cl)c1Cl ZINC000013919464 563004718 /nfs/dbraw/zinc/00/47/18/563004718.db2.gz LBFPLUWTLKUUCU-IPMKNSEASA-N -1 0 492.468 6.837 1 0 JKAFRM CCOc1cc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)ccc1CCC(=O)[O-] ZINC000013978759 563005154 /nfs/dbraw/zinc/00/51/54/563005154.db2.gz LENFBKNDSAMDNF-UHFFFAOYSA-N -1 0 472.578 5.583 1 0 JKAFRM CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(C(=O)c2ccccc2)c1 ZINC000014209392 563005567 /nfs/dbraw/zinc/00/55/67/563005567.db2.gz ONHBOWNRMGRYNP-OAQYLSRUSA-N -1 0 460.570 6.042 1 0 JKAFRM CO[C@@H]1O[C@H](OC)C=C1CC/C=C(\C)CC/C=C(\C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000014681603 563006193 /nfs/dbraw/zinc/00/61/93/563006193.db2.gz NOHWRIRNNOPMMP-XGPIRAMOSA-N -1 0 460.611 6.420 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cn(Cc3ccc(CCC(=O)[O-])cc3)cn2)cc1 ZINC000014963381 563008527 /nfs/dbraw/zinc/00/85/27/563008527.db2.gz KAOZWLKHAHVFCO-UHFFFAOYSA-N -1 0 454.530 5.568 1 0 JKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1ccccc1 ZINC000014963261 563008563 /nfs/dbraw/zinc/00/85/63/563008563.db2.gz HIUGMXDAZTUBDD-UHFFFAOYSA-N -1 0 497.551 5.233 1 0 JKAFRM Cc1cccc(C)c1C(=O)N[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)[O-] ZINC000014963560 563008621 /nfs/dbraw/zinc/00/86/21/563008621.db2.gz DNZAOTJAYGFQRS-HSZRJFAPSA-N -1 0 493.390 6.251 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1ccccc1 ZINC000014963596 563008667 /nfs/dbraw/zinc/00/86/67/563008667.db2.gz TYCBCXLVOZIZMM-JOCHJYFZSA-N -1 0 465.336 5.634 1 0 JKAFRM CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)cc1Br ZINC000014969186 563009469 /nfs/dbraw/zinc/00/94/69/563009469.db2.gz HHSRCUBLBZYJPA-UHFFFAOYSA-N -1 0 461.139 5.770 1 0 JKAFRM O=C([O-])CCc1cc(Br)c(OCc2cccc(C(F)(F)F)c2)c(Br)c1 ZINC000014969147 563009511 /nfs/dbraw/zinc/00/95/11/563009511.db2.gz NNEWESUWHJGSMJ-UHFFFAOYSA-N -1 0 482.090 5.827 1 0 JKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccc(OC(F)F)c3)c2)c(Cl)c1 ZINC000014969240 563009563 /nfs/dbraw/zinc/00/95/63/563009563.db2.gz LLOQXWVSGHOFBE-UHFFFAOYSA-N -1 0 455.240 6.387 1 0 JKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccc(C(F)(F)F)cc3)c2)c(Cl)c1 ZINC000014969224 563009565 /nfs/dbraw/zinc/00/95/65/563009565.db2.gz UGVNVZOKSDTCKR-UHFFFAOYSA-N -1 0 457.231 6.804 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977040 563010462 /nfs/dbraw/zinc/01/04/62/563010462.db2.gz IAOGDTFZZMHYHP-QFIPXVFZSA-N -1 0 460.570 6.784 1 0 JKAFRM CC(=O)c1sc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])cc2)nc1C ZINC000014977169 563010504 /nfs/dbraw/zinc/01/05/04/563010504.db2.gz DEVPNPBNEIOOMX-FQEVSTJZSA-N -1 0 465.571 5.674 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977222 563010521 /nfs/dbraw/zinc/01/05/21/563010521.db2.gz FUFKSKFBIGGIGV-INIZCTEOSA-N -1 0 477.479 6.152 1 0 JKAFRM CC(C)=CCC/C(C)=C/Cc1c([O-])c2c(-c3ccccc3)cc(=O)oc2c(C(=O)CC(C)C)c1O ZINC000015120533 563011158 /nfs/dbraw/zinc/01/11/58/563011158.db2.gz DDEGGXJLPSRCOB-XSFVSMFZSA-N -1 0 474.597 7.335 1 0 biogenic,in-vitro JKAFRM C/C(=C\CC/C(C)=C/Cc1c([O-])c2ccccc2oc1=O)CC/C=C(\C)COC(=O)c1ccccc1 ZINC000015215648 563011396 /nfs/dbraw/zinc/01/13/96/563011396.db2.gz FBZVXHXOMVZJCO-MHSWHVJLSA-N -1 0 486.608 7.297 1 0 JKAFRM CCCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(C(=O)[O-])n2-c1ccc2c(c1)OCO2 ZINC000026006640 563021628 /nfs/dbraw/zinc/02/16/28/563021628.db2.gz JNPFHSPAJLZJHE-UHFFFAOYSA-N -1 0 459.454 5.242 1 0 JKAFRM O=C([O-])c1c2cc(F)ccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026144999 563022276 /nfs/dbraw/zinc/02/22/76/563022276.db2.gz REIHRXQIDRHJTB-UHFFFAOYSA-N -1 0 467.460 5.589 1 0 JKAFRM CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1Oc1ccccc1C(=O)[O-] ZINC000026143561 563022292 /nfs/dbraw/zinc/02/22/92/563022292.db2.gz YIMTUAVJJAWKCT-UHFFFAOYSA-N -1 0 492.568 6.448 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)C[S@@](=O)[C@@H]1c1cccnc1 ZINC000026177396 563023649 /nfs/dbraw/zinc/02/36/49/563023649.db2.gz UCHZGYCIIFATFO-CNKVCWCSSA-N -1 0 489.637 5.955 1 0 JKAFRM CCCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(C(=O)[O-])n2Cc1ccc2nonc2c1 ZINC000026272572 563025050 /nfs/dbraw/zinc/02/50/50/563025050.db2.gz PDDMKQWEOKOAQN-UHFFFAOYSA-N -1 0 471.469 5.109 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](CC(=O)[O-])c2ccc(-c3ccncc3)cc2)cc1 ZINC000026286526 563025623 /nfs/dbraw/zinc/02/56/23/563025623.db2.gz LIBKSNJAWOJTRH-MHZLTWQESA-N -1 0 490.607 6.327 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](CC(=O)[O-])c2ccc(-c3ccncc3)cc2)cc1 ZINC000026286519 563025634 /nfs/dbraw/zinc/02/56/34/563025634.db2.gz LIBKSNJAWOJTRH-HHHXNRCGSA-N -1 0 490.607 6.327 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@@H](C(=O)[O-])C(F)(F)F)cc1 ZINC000026290138 563025715 /nfs/dbraw/zinc/02/57/15/563025715.db2.gz WQXIWIURPCRFHM-GOTSBHOMSA-N -1 0 481.518 6.054 1 0 JKAFRM O=C(c1ccc2c(c1)/C(=C/c1cc(Br)c([O-])c(Br)c1)C(=O)N2)C1CC1 ZINC000026384938 563026986 /nfs/dbraw/zinc/02/69/86/563026986.db2.gz GAQBUFAKKWTZTI-ACAGNQJTSA-N -1 0 463.125 5.003 1 0 JKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3c(OC)cc(C(=O)[O-])cc3OC)c2c1 ZINC000026491002 563028497 /nfs/dbraw/zinc/02/84/97/563028497.db2.gz SDMOUFWDEAECEL-QGZVFWFLSA-N -1 0 452.551 5.560 1 0 JKAFRM Cc1cc(Sc2nc3ccccc3s2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000026571417 563030004 /nfs/dbraw/zinc/03/00/04/563030004.db2.gz FZLXQJTVZVUDNY-UHFFFAOYSA-N -1 0 461.395 7.021 1 0 JKAFRM COc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4[O-])cc3)sc2c1 ZINC000026571797 563030080 /nfs/dbraw/zinc/03/00/80/563030080.db2.gz XMVOEWMPRQFBAI-UHFFFAOYSA-N -1 0 477.394 6.721 1 0 JKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)[nH]c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667451 563033109 /nfs/dbraw/zinc/03/31/09/563033109.db2.gz QYOPGSAXHNKRFZ-KRWDZBQOSA-N -1 0 472.610 6.499 1 0 JKAFRM C/C(=C\C(=O)N(C)c1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@H](C)c2ccccc2)c1 ZINC000026724753 563033975 /nfs/dbraw/zinc/03/39/75/563033975.db2.gz RXVQBOALWQNEDW-VLDYRDDYSA-N -1 0 496.607 6.561 1 0 JKAFRM O=C([O-])C[C@H](O)C[C@@H](O)COc1c(CCCOc2ccc(F)cc2)cc(Cl)cc1C1CCCC1 ZINC000026748538 563035129 /nfs/dbraw/zinc/03/51/29/563035129.db2.gz SGKRQHZSMMVREF-FGZHOGPDSA-N -1 0 494.987 5.114 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026842850 563036950 /nfs/dbraw/zinc/03/69/50/563036950.db2.gz FQIJXTNUDVKLHR-AJNNAGPSSA-N -1 0 481.721 7.510 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026935046 563037425 /nfs/dbraw/zinc/03/74/25/563037425.db2.gz OUAPNSVTUJNUMW-SVAFSPIFSA-N -1 0 456.711 7.378 1 0 JKAFRM COC(=O)c1ccc(/C=C/S(=O)(=O)[N-]c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000026935384 563037461 /nfs/dbraw/zinc/03/74/61/563037461.db2.gz HFFMZEZZMZXCMC-WUKNDPDISA-N -1 0 476.579 5.676 1 0 JKAFRM COc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026966715 563038217 /nfs/dbraw/zinc/03/82/17/563038217.db2.gz DKPIMNKKMCCPNW-UHFFFAOYSA-N -1 0 490.471 5.669 1 0 JKAFRM O=c1c2cc(Cl)ccc2[n-]c2c1C(=O)[C@@H](c1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000027089992 563039447 /nfs/dbraw/zinc/03/94/47/563039447.db2.gz OGMXGQZPPDMRDP-ZHRRBRCNSA-N -1 0 468.767 6.795 1 0 JKAFRM CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000027213994 563042160 /nfs/dbraw/zinc/04/21/60/563042160.db2.gz GSPDGRKHFWVXCQ-IBGZPJMESA-N -1 0 459.414 5.166 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C[C@H](OCc3ccccc3)C(=O)[O-])ccc2o1 ZINC000027301037 563042350 /nfs/dbraw/zinc/04/23/50/563042350.db2.gz DYUJAQYIESSIJO-MHZLTWQESA-N -1 0 467.521 6.200 1 0 JKAFRM Cc1ccc(S(=O)(=O)Cc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000027324245 563042969 /nfs/dbraw/zinc/04/29/69/563042969.db2.gz IHKDKRYMCIBKJF-SANMLTNESA-N -1 0 492.637 5.829 1 0 JKAFRM Cc1ccc(S(=O)(=O)Cc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000027324239 563043003 /nfs/dbraw/zinc/04/30/03/563043003.db2.gz IHKDKRYMCIBKJF-AREMUKBSSA-N -1 0 492.637 5.829 1 0 JKAFRM CCOc1cc(CC(=O)N[C@@H](CC2CCCC2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027562068 563046877 /nfs/dbraw/zinc/04/68/77/563046877.db2.gz FSTOLZDXNYEMSG-VWLOTQADSA-N -1 0 478.633 5.754 1 0 JKAFRM C/C=C/C[C@H](NC(=O)Cc1ccc(C(=O)[O-])c(OCC)c1)c1ccccc1N1CCCCC1 ZINC000027562874 563046991 /nfs/dbraw/zinc/04/69/91/563046991.db2.gz BQSDVJKFONNTKT-OJZQOFKYSA-N -1 0 450.579 5.140 1 0 JKAFRM COc1cc(C(=O)C[C@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000027636876 563047826 /nfs/dbraw/zinc/04/78/26/563047826.db2.gz PHFUXQAYAAEQEF-IBGZPJMESA-N -1 0 496.943 5.694 1 0 JKAFRM COc1cccc(OC)c1C(=O)CC(CC(=O)c1c(OC)cccc1OC)c1cccc(C(=O)[O-])c1 ZINC000027644561 563048217 /nfs/dbraw/zinc/04/82/17/563048217.db2.gz WXZNBIBVVADOOR-UHFFFAOYSA-N -1 0 492.524 5.049 1 0 JKAFRM O=C([O-])CCCCCCCCCCCNC(=O)Cc1cn(CCCn2cccc2)c2ccccc12 ZINC000027656667 563049216 /nfs/dbraw/zinc/04/92/16/563049216.db2.gz NIEQYEKNHOFUQY-UHFFFAOYSA-N -1 0 479.665 6.177 1 0 JKAFRM CCOP(=O)(OCC)[C@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)S(=O)(=O)[O-] ZINC000027730074 563050694 /nfs/dbraw/zinc/05/06/94/563050694.db2.gz MNVFSDAHMAWSHC-DHSIHZORSA-N -1 0 464.605 7.056 1 0 JKAFRM Cc1c(-c2ccc(F)cc2)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)n1-c1ccccc1 ZINC000027747697 563051171 /nfs/dbraw/zinc/05/11/71/563051171.db2.gz IDWYYPAGRYYRQC-OKRGKCMKSA-N -1 0 451.538 5.315 1 0 JKAFRM C[C@@H]1S[C@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000027761564 563051492 /nfs/dbraw/zinc/05/14/92/563051492.db2.gz OKDODUJITAVGGA-YDOVEJIGSA-N -1 0 489.637 6.435 1 0 JKAFRM CCCC[C@H](C(=O)[O-])N1C(=O)[C@H](C)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846210 563051783 /nfs/dbraw/zinc/05/17/83/563051783.db2.gz STLMIGJZAOXUKB-YJGRUCBDSA-N -1 0 455.620 6.382 1 0 JKAFRM CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000027997175 563054189 /nfs/dbraw/zinc/05/41/89/563054189.db2.gz DEQLWAQQTORLIY-BXBULYOZSA-N -1 0 472.710 6.204 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2/C=C/c2c(C)cc(C)cc2C)c1Br ZINC000028015962 563055044 /nfs/dbraw/zinc/05/50/44/563055044.db2.gz IZJYSKBXILTXTE-AATRIKPKSA-N -1 0 467.410 5.703 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2CCc2ccc(C)cc2C)c1Br ZINC000028019258 563055123 /nfs/dbraw/zinc/05/51/23/563055123.db2.gz BSUROEYVKLONPL-UHFFFAOYSA-N -1 0 455.399 5.010 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2COc2c(C)cc(C)cc2C)c1Br ZINC000028019997 563055268 /nfs/dbraw/zinc/05/52/68/563055268.db2.gz KJBYBLYMXDYVRK-UHFFFAOYSA-N -1 0 471.398 5.112 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)NCCCC(=O)[O-])c(Cl)c1Cl ZINC000028094358 563055783 /nfs/dbraw/zinc/05/57/83/563055783.db2.gz OHELAVHWEMILBF-IAGOWNOFSA-N -1 0 466.430 6.353 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000028094657 563055788 /nfs/dbraw/zinc/05/57/88/563055788.db2.gz QOELKRNSKQGBDJ-QHCPKHFHSA-N -1 0 457.530 5.227 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC000028093174 563055795 /nfs/dbraw/zinc/05/57/95/563055795.db2.gz MEMSOGHDJLMQDL-MOPGFXCFSA-N -1 0 492.468 6.695 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)NCCC(=O)[O-])c(Cl)c1Cl ZINC000028097424 563055982 /nfs/dbraw/zinc/05/59/82/563055982.db2.gz UAGCAOFGPDUCEN-HZPDHXFCSA-N -1 0 452.403 5.962 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1 ZINC000028106816 563056340 /nfs/dbraw/zinc/05/63/40/563056340.db2.gz MGNJOZJDNOVALX-DEOSSOPVSA-N -1 0 468.557 5.029 1 0 JKAFRM O=C([O-])C[C@@H]1CCCc2c3cc(F)ccc3n(Cc3cccc(OCCCCc4cccnc4)c3)c21 ZINC000028109138 563056387 /nfs/dbraw/zinc/05/63/87/563056387.db2.gz MIIIWVNAZRSKJI-QHCPKHFHSA-N -1 0 486.587 6.520 1 0 JKAFRM COc1ccc(Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(S(=O)(=O)[O-])cc23)cc1 ZINC000028125565 563056913 /nfs/dbraw/zinc/05/69/13/563056913.db2.gz DMXANJABXROLPB-UHFFFAOYSA-N -1 0 469.946 5.138 1 0 JKAFRM COc1ccc2c(c1)c(Cc1ccccc1O[C@H](C)C(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028133747 563057481 /nfs/dbraw/zinc/05/74/81/563057481.db2.gz XICCHOADKSBRIM-QGZVFWFLSA-N -1 0 477.944 5.743 1 0 JKAFRM COc1ccc2c(c1)c(Cc1cccc(O[C@H](C)C(=O)[O-])c1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028133575 563057490 /nfs/dbraw/zinc/05/74/90/563057490.db2.gz UZJIHIMYKLEBBQ-QGZVFWFLSA-N -1 0 477.944 5.743 1 0 JKAFRM COc1ccc([C@@H](c2c(O)c(C(=O)[O-])cc3ccccc32)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028222022 563057917 /nfs/dbraw/zinc/05/79/17/563057917.db2.gz FHRPHMMKGQVVMJ-RUZDIDTESA-N -1 0 470.521 5.622 1 0 JKAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C(=O)[O-])nn1CCCC ZINC000028245867 563058948 /nfs/dbraw/zinc/05/89/48/563058948.db2.gz CODPUXFYQOUEGG-UHFFFAOYSA-N -1 0 458.566 5.162 1 0 JKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028334193 563059792 /nfs/dbraw/zinc/05/97/92/563059792.db2.gz LJWYYGATIFNFFR-PMACEKPBSA-N -1 0 489.742 5.608 1 0 JKAFRM Cc1cccc([C@H](O)/C=C/c2ccccc2/C=C/C(=O)[O-])c1OCc1c(Cl)cccc1Cl ZINC000028333607 563059834 /nfs/dbraw/zinc/05/98/34/563059834.db2.gz ZUTBBKRPWXCWAZ-IGGPBJAASA-N -1 0 469.364 6.725 1 0 JKAFRM O=C([O-])c1ccccc1-n1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c2c1CCCC2 ZINC000028335433 563059945 /nfs/dbraw/zinc/05/99/45/563059945.db2.gz BPPBARVAMLRRCO-UHFFFAOYSA-N -1 0 464.518 5.147 1 0 JKAFRM COc1cccc(Oc2ccc(C(=O)N(c3ncc(C(=O)[O-])s3)C3CCCCC3)cc2)c1 ZINC000028357901 563061537 /nfs/dbraw/zinc/06/15/37/563061537.db2.gz YVPNQEKJMAYRRK-UHFFFAOYSA-N -1 0 452.532 5.622 1 0 JKAFRM CC(C)c1cc(-c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000028361340 563061823 /nfs/dbraw/zinc/06/18/23/563061823.db2.gz DUJNBXYXXKCVJZ-LLZSMSLNSA-N -1 0 471.956 5.795 1 0 JKAFRM O=C([O-])C[C@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1ccc2ccccc2c1 ZINC000028389838 563063488 /nfs/dbraw/zinc/06/34/88/563063488.db2.gz MDGSJXNNVZDXCV-SANMLTNESA-N -1 0 485.628 5.413 1 0 JKAFRM O=C([O-])c1cc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2n1Cc1ccccc1 ZINC000028395759 563063885 /nfs/dbraw/zinc/06/38/85/563063885.db2.gz JGAAUSGHDKGEPC-UHFFFAOYSA-N -1 0 475.353 5.495 1 0 JKAFRM Cn1c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2c(-c2ccccc2)c1C(=O)[O-] ZINC000028397612 563063968 /nfs/dbraw/zinc/06/39/68/563063968.db2.gz ZQOFZULWLDEJSV-UHFFFAOYSA-N -1 0 482.561 6.011 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@](C)(Oc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000028456862 563064165 /nfs/dbraw/zinc/06/41/65/563064165.db2.gz ZUUDQJNRQBHZTC-GDLZYMKVSA-N -1 0 471.553 6.045 1 0 JKAFRM CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000028459295 563064432 /nfs/dbraw/zinc/06/44/32/563064432.db2.gz VYJUQLZGTWSUBI-FRXGNLPVSA-N -1 0 470.738 7.910 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccc(Cl)cc1 ZINC000028466199 563065082 /nfs/dbraw/zinc/06/50/82/563065082.db2.gz DESPXUZSZKORTQ-UYRXBGFRSA-N -1 0 472.722 5.750 1 0 JKAFRM O=C([O-])C[C@@H](c1cccnc1)n1ccc2cc(OCC(F)(F)c3ccc4c(n3)NCCC4)ccc21 ZINC000028472274 563065494 /nfs/dbraw/zinc/06/54/94/563065494.db2.gz BJFHAMYOMQLVTE-QFIPXVFZSA-N -1 0 478.499 5.024 1 0 JKAFRM COc1cccc([C@H](CC(=O)[O-])n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028471906 563065496 /nfs/dbraw/zinc/06/54/96/563065496.db2.gz ISFSENBRVGRPMH-SANMLTNESA-N -1 0 471.557 5.089 1 0 JKAFRM COc1ccc([C@@H](CC(=O)[O-])n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)cc1 ZINC000028472104 563065559 /nfs/dbraw/zinc/06/55/59/563065559.db2.gz NXFFLBNDPLJURV-AREMUKBSSA-N -1 0 471.557 5.089 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC[C@@H]2OCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000028472911 563065609 /nfs/dbraw/zinc/06/56/09/563065609.db2.gz QKJKLOFSAZMAQR-QHCPKHFHSA-N -1 0 455.510 6.066 1 0 JKAFRM O=C([O-])C[C@H](c1cccc(Cl)c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028472711 563065622 /nfs/dbraw/zinc/06/56/22/563065622.db2.gz YRCDKPLXZYFHKS-RUZDIDTESA-N -1 0 475.976 5.733 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC[C@H]2OCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000028473815 563065698 /nfs/dbraw/zinc/06/56/98/563065698.db2.gz QKJKLOFSAZMAQR-HSZRJFAPSA-N -1 0 455.510 6.066 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC[C@@H]2CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000028473803 563065726 /nfs/dbraw/zinc/06/57/26/563065726.db2.gz QTCGNKDSVVYLCF-HXUWFJFHSA-N -1 0 453.538 6.525 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)Cc1ccc(Cl)cc1 ZINC000028474267 563065793 /nfs/dbraw/zinc/06/57/93/563065793.db2.gz BYDYYXDWYBWSRU-MOSHPQCFSA-N -1 0 486.749 5.679 1 0 JKAFRM COc1ccc(C(=O)Nc2ccc(-c3ccc(-c4csc(CC(=O)[O-])n4)o3)c(Cl)c2)cc1 ZINC000028521030 563066299 /nfs/dbraw/zinc/06/62/99/563066299.db2.gz RWPTWCXMYYVSKK-UHFFFAOYSA-N -1 0 468.918 5.612 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccc(Br)cc4)cc3F)nc2c1 ZINC000028521020 563066305 /nfs/dbraw/zinc/06/63/05/563066305.db2.gz WDGARPIRBPYNJF-XCVCLJGOSA-N -1 0 495.304 5.675 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4cccc(Br)c4)cc3F)nc2c1 ZINC000028523369 563066813 /nfs/dbraw/zinc/06/68/13/563066813.db2.gz FGDCGLYGGJFWOU-RMKNXTFCSA-N -1 0 495.304 5.675 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3)nc2c1 ZINC000028524324 563067158 /nfs/dbraw/zinc/06/71/58/563067158.db2.gz AAEYZBWTBCAWLV-UUILKARUSA-N -1 0 477.314 5.536 1 0 JKAFRM O=C([O-])C1=C(C(=O)Nc2cc(Br)c(OCc3ccccc3)c(Br)c2)CCC1 ZINC000028524602 563067181 /nfs/dbraw/zinc/06/71/81/563067181.db2.gz PSCMHGAWUNFMRR-UHFFFAOYSA-N -1 0 495.167 5.294 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccccc4OC(F)F)cc3)nc2c1 ZINC000028524846 563067307 /nfs/dbraw/zinc/06/73/07/563067307.db2.gz ADHQVVXXMAEVDY-XYOKQWHBSA-N -1 0 464.424 5.375 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)c(Cl)c4)c(F)c3)nc2c1 ZINC000028525287 563067569 /nfs/dbraw/zinc/06/75/69/563067569.db2.gz KLPKGBIXLNAXNH-FPYGCLRLSA-N -1 0 468.843 5.705 1 0 JKAFRM CC(C)(C)c1ccc(-n2c3ccccc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028526217 563067810 /nfs/dbraw/zinc/06/78/10/563067810.db2.gz QEDIKMQCSOVILD-UHFFFAOYSA-N -1 0 453.460 7.437 1 0 JKAFRM CC(C)(C)c1ccc(-n2c3ccccc3c(Oc3ccc(OC(F)(F)F)cc3)c2C(=O)[O-])cc1 ZINC000028526218 563067847 /nfs/dbraw/zinc/06/78/47/563067847.db2.gz BGRNRDBRZYUNFJ-UHFFFAOYSA-N -1 0 469.459 7.317 1 0 JKAFRM CC(C)c1cc2cccnc2c(-c2cccc(/C=C(/C(=O)[O-])c3ccc(S(C)(=O)=O)cc3)c2)c1 ZINC000028529829 563068508 /nfs/dbraw/zinc/06/85/08/563068508.db2.gz SRUGDVLQDNLYGA-CVKSISIWSA-N -1 0 471.578 6.054 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cc5ccccc5s4)oc3C)ccc21 ZINC000028563868 563069047 /nfs/dbraw/zinc/06/90/47/563069047.db2.gz OUFVUVNMAQYSQI-UNMCSNQZSA-N -1 0 461.583 6.627 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cc5ccccc5s4)oc3C)ccc21 ZINC000028563870 563069063 /nfs/dbraw/zinc/06/90/63/563069063.db2.gz OUFVUVNMAQYSQI-IRLDBZIGSA-N -1 0 461.583 6.627 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(OC)c(OC)c4)oc3C)ccc21 ZINC000028565903 563069451 /nfs/dbraw/zinc/06/94/51/563069451.db2.gz JNDFJWWAPSRXSK-IFMALSPDSA-N -1 0 465.546 5.429 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4Cl)oc3C)ccc21 ZINC000028565844 563069508 /nfs/dbraw/zinc/06/95/08/563069508.db2.gz RHBPHZFZEOLCGS-AZUAARDMSA-N -1 0 474.384 6.719 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@@H](C(=O)[O-])c1ccccc1 ZINC000028566258 563069656 /nfs/dbraw/zinc/06/96/56/563069656.db2.gz KTOFVXDFZOKLJO-BDYUSTAISA-N -1 0 453.538 6.170 1 0 JKAFRM CCCCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@@H]4[C@@H](CC)C(=O)[O-])c(C)o2)cc1 ZINC000028566276 563069663 /nfs/dbraw/zinc/06/96/63/563069663.db2.gz YHBVPHGRCOVIMF-AOYPEHQESA-N -1 0 461.602 6.755 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@H](C(=O)[O-])c1ccccc1 ZINC000028566262 563069676 /nfs/dbraw/zinc/06/96/76/563069676.db2.gz KTOFVXDFZOKLJO-AHKZPQOWSA-N -1 0 453.538 6.170 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccccc3)cc21 ZINC000028567756 563069812 /nfs/dbraw/zinc/06/98/12/563069812.db2.gz ZHORMDGNABWUQX-LOSJGSFVSA-N -1 0 481.592 7.079 1 0 JKAFRM Cc1onc(NC(=O)CCc2ccccc2)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028567947 563069897 /nfs/dbraw/zinc/06/98/97/563069897.db2.gz LBZNDLGQBYKQHS-UHFFFAOYSA-N -1 0 472.385 5.534 1 0 JKAFRM Cc1onc(NC(=O)NC2CCCCC2)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028567945 563069902 /nfs/dbraw/zinc/06/99/02/563069902.db2.gz AIAKEDJQFXXVFS-UHFFFAOYSA-N -1 0 465.394 5.416 1 0 JKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(Cl)c2)C1C(=O)OC/C=C/c1ccc(Cl)cc1 ZINC000028568468 563070040 /nfs/dbraw/zinc/07/00/40/563070040.db2.gz NKXFPVXTCCYNJK-TUFRZMAUSA-N -1 0 458.341 6.410 1 0 JKAFRM CC(C)(Oc1ccc(OCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028570968 563070870 /nfs/dbraw/zinc/07/08/70/563070870.db2.gz KPKPMULDXRAMNI-UHFFFAOYSA-N -1 0 460.885 5.971 1 0 JKAFRM CC(C)(Oc1cccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)c1)C(=O)[O-] ZINC000028570969 563070890 /nfs/dbraw/zinc/07/08/90/563070890.db2.gz UCLRDDFYVYAFHG-UHFFFAOYSA-N -1 0 474.912 6.361 1 0 JKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C3CCC(C)(C)CC3)cc2Cl)cc1)C(=O)[O-] ZINC000028571328 563070999 /nfs/dbraw/zinc/07/09/99/563070999.db2.gz RNSOHSLRYRPYTQ-LJAQVGFWSA-N -1 0 487.080 7.915 1 0 JKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(=O)[O-] ZINC000028571188 563071001 /nfs/dbraw/zinc/07/10/01/563071001.db2.gz ACTSIVLHZCAAMO-QFIPXVFZSA-N -1 0 458.904 6.336 1 0 JKAFRM C[C@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028571735 563071035 /nfs/dbraw/zinc/07/10/35/563071035.db2.gz XIQOHRXOQKWBAC-QGZVFWFLSA-N -1 0 458.913 6.383 1 0 JKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2C)cc1)C(=O)[O-] ZINC000028571656 563071084 /nfs/dbraw/zinc/07/10/84/563071084.db2.gz DUYSLKPVWQFSOB-VWLOTQADSA-N -1 0 492.490 6.012 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc3c(c2Br)C[C@@H](C(=O)[O-])C3)ccc1O ZINC000028571948 563071156 /nfs/dbraw/zinc/07/11/56/563071156.db2.gz MOWQUCJYYNNJGX-NSHDSACASA-N -1 0 470.157 5.632 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)[O-] ZINC000028637104 563071844 /nfs/dbraw/zinc/07/18/44/563071844.db2.gz KDCSSVADTHDYGI-XJHIZYRVSA-N -1 0 454.695 7.752 1 0 JKAFRM CCCC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1)C(=O)[O-] ZINC000028652324 563074087 /nfs/dbraw/zinc/07/40/87/563074087.db2.gz JSZKCNGJIUQQQN-HNNXBMFYSA-N -1 0 455.448 5.217 1 0 JKAFRM CCCCO[C@@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704641 563075222 /nfs/dbraw/zinc/07/52/22/563075222.db2.gz FNYUGOLRFARJMP-IBGZPJMESA-N -1 0 472.525 5.834 1 0 JKAFRM CSCO[C@H](CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704716 563075241 /nfs/dbraw/zinc/07/52/41/563075241.db2.gz LWBVIUDQBHYATP-GOSISDBHSA-N -1 0 474.566 5.908 1 0 JKAFRM O=C(C=C(Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1n[n-]c(=S)o1)c1ccc(Cl)cc1 ZINC000028712364 563076979 /nfs/dbraw/zinc/07/69/79/563076979.db2.gz CNMRZHZAOVAOEJ-HMMYKYKNSA-N -1 0 498.995 6.678 1 0 JKAFRM CC(C)=CCN(c1ccc(O)c(C(C)C)c1)c1c(C)cc(C[C@H]2SC(=O)[N-]C2=O)cc1C ZINC000028713853 563077514 /nfs/dbraw/zinc/07/75/14/563077514.db2.gz LHKHPMSSQXNXRM-HSZRJFAPSA-N -1 0 452.620 6.131 1 0 JKAFRM COc1cccc(Sc2c3cc(OC)c(OC)cc3n(Cc3ccc4c(c3)OCO4)c2C(=O)[O-])c1 ZINC000028769213 563079086 /nfs/dbraw/zinc/07/90/86/563079086.db2.gz XPUJKHFCHQYTEQ-UHFFFAOYSA-N -1 0 493.537 5.294 1 0 JKAFRM CCO[C@@H](Cc1ccc(CC[C@H](OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028821986 563080869 /nfs/dbraw/zinc/08/08/69/563080869.db2.gz SEKXQBPSFURDHT-UIOOFZCWSA-N -1 0 477.626 5.484 1 0 JKAFRM C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(=O)[O-])C[C@H]1CC(=O)CC[C@@]13C ZINC000028824536 563082023 /nfs/dbraw/zinc/08/20/23/563082023.db2.gz GEBZVFIRTDLBNY-VPOZCLCWSA-N -1 0 460.699 6.781 1 0 JKAFRM Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)ccc1CCC(=O)[O-] ZINC000028825480 563082138 /nfs/dbraw/zinc/08/21/38/563082138.db2.gz CVKRLGZUCIHMHK-UHFFFAOYSA-N -1 0 462.933 5.869 1 0 JKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825459 563082167 /nfs/dbraw/zinc/08/21/67/563082167.db2.gz RLTVFWLIKGNVBV-UHFFFAOYSA-N -1 0 487.474 5.978 1 0 JKAFRM COc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(=O)[O-])c(C)c3)c2)c(C)c1 ZINC000028825471 563082195 /nfs/dbraw/zinc/08/21/95/563082195.db2.gz JXSFJFACNMJREK-UHFFFAOYSA-N -1 0 463.530 5.276 1 0 JKAFRM CCOc1cccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)c1 ZINC000028891551 563085179 /nfs/dbraw/zinc/08/51/79/563085179.db2.gz VFJSMSWYOCOPEN-NRFANRHFSA-N -1 0 475.589 5.261 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(OC(C)(C)C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952208 563087371 /nfs/dbraw/zinc/08/73/71/563087371.db2.gz MYDHOADMPXKBRW-UHFFFAOYSA-N -1 0 479.495 5.837 1 0 JKAFRM Cc1c(CCOc2ccc3c(c2)CC[C@H]3CC(=O)[O-])nc(-c2ccc(-c3ccccc3)cc2)n1C ZINC000028951998 563087378 /nfs/dbraw/zinc/08/73/78/563087378.db2.gz MXVRETICWXXRDS-VWLOTQADSA-N -1 0 466.581 6.189 1 0 JKAFRM Cc1sc(-c2cccc(C(F)(F)F)c2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028951990 563087381 /nfs/dbraw/zinc/08/73/81/563087381.db2.gz YXVVWAPGKSBKPP-INIZCTEOSA-N -1 0 461.505 6.263 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(C[C@H](C)C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952194 563087388 /nfs/dbraw/zinc/08/73/88/563087388.db2.gz MANSRUMBHGHGBM-HNNXBMFYSA-N -1 0 463.496 5.858 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@H]4C[C@@H]4C(=O)[O-])ccc3OCC(F)(F)F)cc21 ZINC000028952267 563087462 /nfs/dbraw/zinc/08/74/62/563087462.db2.gz HMXAWPKQULWZCR-MJGOQNOKSA-N -1 0 475.507 5.825 1 0 JKAFRM Cc1cc2c(cc1-c1cc([C@@H]3C[C@@H]3C(=O)[O-])ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952279 563087472 /nfs/dbraw/zinc/08/74/72/563087472.db2.gz NFXPYYBQFZMOPD-HKUYNNGSSA-N -1 0 475.507 6.171 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@@H]4C[C@H]4C(=O)[O-])ccc3OCC(F)(F)F)cc21 ZINC000028952269 563087485 /nfs/dbraw/zinc/08/74/85/563087485.db2.gz HMXAWPKQULWZCR-PKOBYXMFSA-N -1 0 475.507 5.825 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(CCC(=O)[O-])ccc3OCC(F)(F)F)cc21 ZINC000028952260 563087488 /nfs/dbraw/zinc/08/74/88/563087488.db2.gz RLYZOZMMCSBBJZ-UHFFFAOYSA-N -1 0 463.496 5.655 1 0 JKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cccc([C@](O)(C(=O)[O-])C(F)(F)F)c1 ZINC000028961429 563089059 /nfs/dbraw/zinc/08/90/59/563089059.db2.gz NDSBDYWZWQXNNI-FQEVSTJZSA-N -1 0 471.884 5.228 1 0 JKAFRM COc1ccc(/C(=C\c2cc(-c3ccc(Cl)c(Cl)c3)n(-c3ccc(OC)cc3)n2)C(=O)[O-])cc1 ZINC000028963314 563089112 /nfs/dbraw/zinc/08/91/12/563089112.db2.gz XLMZSJUUJQJSTH-HYARGMPZSA-N -1 0 495.362 6.489 1 0 JKAFRM COc1ccc(-n2nc(/C=C(/C(=O)[O-])c3ccccc3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963298 563089123 /nfs/dbraw/zinc/08/91/23/563089123.db2.gz RZZKSMCNLHZEHM-KGENOOAVSA-N -1 0 465.336 6.480 1 0 JKAFRM COc1ccc(-n2nc(/C=C(/C(=O)[O-])c3cccc(C)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963332 563089125 /nfs/dbraw/zinc/08/91/25/563089125.db2.gz XYOHEDZCCNHUOL-HYARGMPZSA-N -1 0 479.363 6.788 1 0 JKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3ccccc3OC)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962536 563089128 /nfs/dbraw/zinc/08/91/28/563089128.db2.gz GNFBSDCACDEHNE-HSZRJFAPSA-N -1 0 462.933 5.621 1 0 JKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3cccc(OC)c3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962559 563089139 /nfs/dbraw/zinc/08/91/39/563089139.db2.gz ALEDWVBEFDTUDP-XMMPIXPASA-N -1 0 462.933 5.621 1 0 JKAFRM COc1ccc(-n2nc(/C=C(\C(=O)[O-])c3ccccc3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963347 563089201 /nfs/dbraw/zinc/08/92/01/563089201.db2.gz RZZKSMCNLHZEHM-STZFKDTASA-N -1 0 465.336 6.480 1 0 JKAFRM CCN(C(=O)N(C)c1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971947 563089712 /nfs/dbraw/zinc/08/97/12/563089712.db2.gz ONJFGRBKPNRQCO-GOSISDBHSA-N -1 0 496.551 5.586 1 0 JKAFRM CC(C)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972111 563089789 /nfs/dbraw/zinc/08/97/89/563089789.db2.gz FNHBIQMUFPWCLC-SFHVURJKSA-N -1 0 496.551 5.950 1 0 JKAFRM C[C@@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@@H](CCCc1ccoc1)COS(=O)(=O)[O-] ZINC000028973334 563089869 /nfs/dbraw/zinc/08/98/69/563089869.db2.gz OYRXLPLXKXDHJP-KLPRUGGUSA-N -1 0 452.657 6.617 1 0 JKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3cccc(CCC(=O)[O-])c3)c2)c1)S(C)(=O)=O ZINC000029037776 563090661 /nfs/dbraw/zinc/09/06/61/563090661.db2.gz CTVCUCKNSAOAOB-UHFFFAOYSA-N -1 0 473.594 5.866 1 0 JKAFRM O=C(Nc1c([O-])cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2=O)cc1 ZINC000029048280 563092707 /nfs/dbraw/zinc/09/27/07/563092707.db2.gz RMNOMAVSJFKSPH-UHFFFAOYSA-N -1 0 499.354 5.116 1 0 JKAFRM Cc1cc(SCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC1(C(=O)[O-])CCCC1 ZINC000029058840 563093735 /nfs/dbraw/zinc/09/37/35/563093735.db2.gz WPEUTERXVLVBJD-UHFFFAOYSA-N -1 0 495.453 6.889 1 0 JKAFRM Cc1cc(OCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029059409 563093840 /nfs/dbraw/zinc/09/38/40/563093840.db2.gz MXHMPCCXYYUBRL-UHFFFAOYSA-N -1 0 453.347 5.641 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000029060458 563093887 /nfs/dbraw/zinc/09/38/87/563093887.db2.gz BUOYQGLRFDDTLB-JTEOXUTQSA-N -1 0 458.683 5.958 1 0 JKAFRM CCC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)[O-] ZINC000029127218 563095513 /nfs/dbraw/zinc/09/55/13/563095513.db2.gz CADIUVOXJVKRSR-FDSKZGELSA-N -1 0 489.656 6.136 1 0 JKAFRM CCOc1ccc(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000029127220 563095546 /nfs/dbraw/zinc/09/55/46/563095546.db2.gz CGKNAWYMNWZFFL-ZAOYXPDVSA-N -1 0 489.656 6.136 1 0 JKAFRM CC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])CC[C@H]3[C@H]12 ZINC000029135861 563098116 /nfs/dbraw/zinc/09/81/16/563098116.db2.gz XPECMKJLGQJTSJ-JXNZKVSASA-N -1 0 495.770 6.092 1 0 JKAFRM CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c1[O-] ZINC000029222879 563098865 /nfs/dbraw/zinc/09/88/65/563098865.db2.gz JIAOOBPYAMTSEO-UHFFFAOYSA-N -1 0 452.315 5.147 1 0 JKAFRM CCCCCc1cc(O)cc2c1Oc1c(C=O)c([O-])c(Cl)c(C(=O)CCCC)c1C(=O)O2 ZINC000029231356 563099034 /nfs/dbraw/zinc/09/90/34/563099034.db2.gz GJOWGXNOCITVDJ-UHFFFAOYSA-N -1 0 460.910 5.994 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2OCC)cc1 ZINC000029320240 563100142 /nfs/dbraw/zinc/10/01/42/563100142.db2.gz MUOHIXSZSNNHEE-VWLOTQADSA-N -1 0 459.546 5.344 1 0 JKAFRM Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCC[C@H]2OC(=O)[N-]C2=O)cc1 ZINC000029322173 563100209 /nfs/dbraw/zinc/10/02/09/563100209.db2.gz NGEWWIJZVIMWJG-XMMPIXPASA-N -1 0 456.498 5.340 1 0 JKAFRM CCCc1c(OCCCSc2ccc([C@@H](O)[C@@H](C)CC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000029337506 563100851 /nfs/dbraw/zinc/10/08/51/563100851.db2.gz YNHQJUJPBNEXHQ-FYSMJZIKSA-N -1 0 460.592 5.253 1 0 JKAFRM CCCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=CC(=O)[O-])CCCC2 ZINC000029390648 563101664 /nfs/dbraw/zinc/10/16/64/563101664.db2.gz GLWABHJKVIXFLE-RELWKKBWSA-N -1 0 496.615 5.706 1 0 JKAFRM CC(=O)O[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@@H]2CC(=O)[O-])C(=O)O1 ZINC000029404935 563102766 /nfs/dbraw/zinc/10/27/66/563102766.db2.gz LJWCNBPIYCPRID-PJGWRJOPSA-N -1 0 478.670 6.215 1 0 JKAFRM CC(=O)O[C@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@@H]2CC(=O)[O-])C(=O)O1 ZINC000029404937 563102817 /nfs/dbraw/zinc/10/28/17/563102817.db2.gz LJWCNBPIYCPRID-IJPNIIIPSA-N -1 0 478.670 6.215 1 0 JKAFRM CC(=O)O[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@@H]2CC(=O)[O-])C(=O)O1 ZINC000029404932 563102836 /nfs/dbraw/zinc/10/28/36/563102836.db2.gz LJWCNBPIYCPRID-ZAUQDTDZSA-N -1 0 478.670 6.215 1 0 JKAFRM CCCCC1=N[C@](C)(CC2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029406873 563102887 /nfs/dbraw/zinc/10/28/87/563102887.db2.gz PCICRUIUCIGCKR-GDLZYMKVSA-N -1 0 460.618 6.712 1 0 JKAFRM CCCCC1=N[C@@](C)(CC2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029406870 563102921 /nfs/dbraw/zinc/10/29/21/563102921.db2.gz PCICRUIUCIGCKR-LJAQVGFWSA-N -1 0 460.618 6.712 1 0 JKAFRM CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)[O-])c-2cc1 ZINC000029410475 563103184 /nfs/dbraw/zinc/10/31/84/563103184.db2.gz ONVHCBQCZYEVCQ-UHFFFAOYSA-N -1 0 482.023 5.189 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCOc1ccc2ccc(OCC(=O)[O-])cc2c1C(C)=O ZINC000029464534 563103998 /nfs/dbraw/zinc/10/39/98/563103998.db2.gz HNPGZXUDAMBXBD-UHFFFAOYSA-N -1 0 494.540 5.214 1 0 JKAFRM Cc1c(-c2cn(C)c3c2cccc3-c2cccc(C(F)(F)F)c2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029464850 563104019 /nfs/dbraw/zinc/10/40/19/563104019.db2.gz MQRXSIGEZYWGRK-UHFFFAOYSA-N -1 0 478.445 7.225 1 0 JKAFRM CCCC[C@H](C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OC)c2c1)c1ccccc1 ZINC000029473191 563104720 /nfs/dbraw/zinc/10/47/20/563104720.db2.gz QNEWWKKVOHMAQO-VWLOTQADSA-N -1 0 470.569 6.309 1 0 JKAFRM C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@H](O)[C@@H]1Cc1cccc(C(=O)[O-])c1 ZINC000029475695 563104911 /nfs/dbraw/zinc/10/49/11/563104911.db2.gz TUKZDRAVAURZLG-GXXNXVLISA-N -1 0 479.529 5.386 1 0 JKAFRM NC(=O)c1ccc2[nH]c(-c3cc(CCC(=O)[O-])cc(Br)c3O)c(Cc3ccccc3)c2c1 ZINC000029477255 563105016 /nfs/dbraw/zinc/10/50/16/563105016.db2.gz TYIAWFMECLEKKF-UHFFFAOYSA-N -1 0 493.357 5.010 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(CC2CC2)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000029477355 563105024 /nfs/dbraw/zinc/10/50/24/563105024.db2.gz OITCGBQODCHTHA-UHFFFAOYSA-N -1 0 462.546 5.840 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000029484983 563105564 /nfs/dbraw/zinc/10/55/64/563105564.db2.gz TXLITTKQEGRQKY-JGZOKDSISA-N -1 0 469.710 6.741 1 0 JKAFRM CCCc1c(OCCCCCOc2ccc3c(c2C(C)=O)O[C@H](C(=O)[O-])CC3)ccc(C(C)=O)c1O ZINC000029544575 563105825 /nfs/dbraw/zinc/10/58/25/563105825.db2.gz ICXPAHSYQZVIKF-DEOSSOPVSA-N -1 0 498.572 5.156 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000029553196 563106494 /nfs/dbraw/zinc/10/64/94/563106494.db2.gz GMYJAKLQPZGTFL-UPVQYVLGSA-N -1 0 470.694 6.701 1 0 JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000031458990 563108124 /nfs/dbraw/zinc/10/81/24/563108124.db2.gz CGPBVNAIDFBRJG-HVGLGGOPSA-N -1 0 456.711 7.400 1 0 JKAFRM O=C([O-])c1cn([C@H](CO)C2CCCCC2)c2ccc(Cc3cccc(Cl)c3F)cc2c1=O ZINC000033818062 563110885 /nfs/dbraw/zinc/11/08/85/563110885.db2.gz YKTLLZRLPKVVDB-JOCHJYFZSA-N -1 0 457.929 5.197 1 0 JKAFRM CC1(C)[C@@H](O)C(=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000034209580 563112515 /nfs/dbraw/zinc/11/25/15/563112515.db2.gz WOKFCRPNGIVPEZ-FVYGZGRVSA-N -1 0 470.694 6.413 1 0 JKAFRM Cc1c(CC(=O)[O-])c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(C)c1C ZINC000034251073 563112847 /nfs/dbraw/zinc/11/28/47/563112847.db2.gz UVWBRJYHDOMDOP-NRFANRHFSA-N -1 0 498.579 5.158 1 0 JKAFRM CCCO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000034357150 563113311 /nfs/dbraw/zinc/11/33/11/563113311.db2.gz NJKDMEJQXHMOJP-HSZRJFAPSA-N -1 0 465.571 5.909 1 0 JKAFRM Cn1ccnc1[C@@H](CC(=O)[O-])c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000034603243 563114044 /nfs/dbraw/zinc/11/40/44/563114044.db2.gz PKWHDWJHIVRTIA-DEOSSOPVSA-N -1 0 480.486 6.292 1 0 JKAFRM CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(OC[C@@H](O)CCC(=O)[O-])c(C)c2)cc1C)CC ZINC000034638029 563114315 /nfs/dbraw/zinc/11/43/15/563114315.db2.gz ZBHWQLUYUULCDH-FOHRATBMSA-N -1 0 496.688 6.578 1 0 JKAFRM O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2c(F)cc(F)cc2F)n1 ZINC000034643790 563114425 /nfs/dbraw/zinc/11/44/25/563114425.db2.gz BVLCSIUFDMFIQQ-UHFFFAOYSA-N -1 0 469.846 6.764 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cnn2c1ncc(-c1ccc(F)cc1)c2C1CCCCC1 ZINC000034663023 563114630 /nfs/dbraw/zinc/11/46/30/563114630.db2.gz DHMCXXXZZIPZBS-DEOSSOPVSA-N -1 0 486.547 5.009 1 0 JKAFRM CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)[O-] ZINC000034717694 563114803 /nfs/dbraw/zinc/11/48/03/563114803.db2.gz ZYXIXLCLHFATLN-JOCHJYFZSA-N -1 0 472.463 5.704 1 0 JKAFRM Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc([C@@H]3C[C@@H]3C(=O)[O-])cc2)c1 ZINC000034894212 563117449 /nfs/dbraw/zinc/11/74/49/563117449.db2.gz GZTLJDMYNSOBKK-SVBPBHIXSA-N -1 0 472.581 6.153 1 0 JKAFRM O=C(c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1ccc(Cl)cc1 ZINC000035017502 563118303 /nfs/dbraw/zinc/11/83/03/563118303.db2.gz QBQOFOMYVJUCFS-UHFFFAOYSA-N -1 0 459.716 5.525 1 0 JKAFRM O=C(c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1ccc(C(F)(F)F)cc1 ZINC000035017496 563118349 /nfs/dbraw/zinc/11/83/49/563118349.db2.gz MCSQYEXHAXQCNI-UHFFFAOYSA-N -1 0 493.268 5.890 1 0 JKAFRM C/C(=C\CC[C@@H](C(=O)[O-])[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000035034312 563118437 /nfs/dbraw/zinc/11/84/37/563118437.db2.gz PJJIWWUPWPLBRE-XOSWQPBISA-N -1 0 486.693 5.263 1 0 JKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccc(Br)cc3)c2c1 ZINC000035079420 563118867 /nfs/dbraw/zinc/11/88/67/563118867.db2.gz PBVWSCLYHHEDGY-LBPRGKRZSA-N -1 0 492.778 5.636 1 0 JKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccc(-c4ccccc4)cc3)c2c1 ZINC000035079413 563118880 /nfs/dbraw/zinc/11/88/80/563118880.db2.gz VQSBNQAUJQELNJ-QGZVFWFLSA-N -1 0 489.980 6.540 1 0 JKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)c1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000035246701 563119491 /nfs/dbraw/zinc/11/94/91/563119491.db2.gz FLNMIIWQNDDAQK-UHFFFAOYSA-N -1 0 478.492 5.309 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCn1ncc2cc(CC(=O)[O-])ccc21 ZINC000035952520 563121446 /nfs/dbraw/zinc/12/14/46/563121446.db2.gz ZFCIXIWMXLHUDY-UHFFFAOYSA-N -1 0 461.440 5.245 1 0 JKAFRM Cc1cc(CCC(=O)[O-])ccc1-c1noc(-c2cnc(O[C@H](C)C(F)(F)F)c(Cl)c2)n1 ZINC000035952409 563121464 /nfs/dbraw/zinc/12/14/64/563121464.db2.gz RZYDSGOZSVUMSW-LLVKDONJSA-N -1 0 455.820 5.107 1 0 JKAFRM COc1ccc(C(c2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)c2ccc(OC)cc2)cc1 ZINC000035998635 563121808 /nfs/dbraw/zinc/12/18/08/563121808.db2.gz ZOTGQGLOXKIJDG-UHFFFAOYSA-N -1 0 463.530 5.774 1 0 JKAFRM Cc1c2c(cc(OCc3cccc(-c4ccc(Cl)c(C(=O)[O-])c4)c3)c1C)C[C@H](C1CCCC1)C2=O ZINC000035999179 563121879 /nfs/dbraw/zinc/12/18/79/563121879.db2.gz UKCJSYABFAKHMI-XMMPIXPASA-N -1 0 489.011 7.446 1 0 JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@H]2CC[C@H](O)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000036160009 563122945 /nfs/dbraw/zinc/12/29/45/563122945.db2.gz SDEZJSYVFCHZOB-FTJBHMTQSA-N -1 0 487.596 5.485 1 0 JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(-c3ccccc3)c2)s1 ZINC000036160159 563123049 /nfs/dbraw/zinc/12/30/49/563123049.db2.gz BCBYBNIDJGIOQL-BJKOFHAPSA-N -1 0 477.626 5.421 1 0 JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@H](O)Cc2cccc(-c3ccccc3)c2)s1 ZINC000036160163 563123061 /nfs/dbraw/zinc/12/30/61/563123061.db2.gz BCBYBNIDJGIOQL-ZEQRLZLVSA-N -1 0 477.626 5.421 1 0 JKAFRM CCOc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@H](C(=O)[O-])c1ccccc1 ZINC000036175890 563123237 /nfs/dbraw/zinc/12/32/37/563123237.db2.gz RDJVLRSIEZYPNB-VWLOTQADSA-N -1 0 459.546 5.262 1 0 JKAFRM O=C(CCc1ccccc1)c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O ZINC000036184638 563123668 /nfs/dbraw/zinc/12/36/68/563123668.db2.gz XOBMFSVTGCTEJT-UHFFFAOYSA-N -1 0 453.325 5.456 1 0 JKAFRM O=C(c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1cccc(Cl)c1 ZINC000036184632 563123675 /nfs/dbraw/zinc/12/36/75/563123675.db2.gz PDTKYOPQIHTOCJ-UHFFFAOYSA-N -1 0 459.716 5.525 1 0 JKAFRM O=C([O-])C[C@H]1CCCc2c3cccc([S@@](=O)c4ccccc4)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190349 563124259 /nfs/dbraw/zinc/12/42/59/563124259.db2.gz WRMLVALLVQNILX-AONNBLCTSA-N -1 0 478.013 6.404 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3c(=O)n(C)c2C(=O)[O-])cc1 ZINC000036222503 563124650 /nfs/dbraw/zinc/12/46/50/563124650.db2.gz RSOWKSJGMPYNNR-UHFFFAOYSA-N -1 0 480.568 5.266 1 0 JKAFRM CC(C)(Oc1ccccc1Br)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1 ZINC000036242399 563124848 /nfs/dbraw/zinc/12/48/48/563124848.db2.gz IGXUIKDHBUUKLY-QSUIMUHQSA-N -1 0 490.394 5.543 1 0 JKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(Cl)cc(Cl)c3)cc1)n2C1CCCC1 ZINC000036350374 563126783 /nfs/dbraw/zinc/12/67/83/563126783.db2.gz PZXOQECTQXFFIR-UHFFFAOYSA-N -1 0 481.379 7.402 1 0 JKAFRM O=C([O-])c1cccc2c1C(=O)c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)cc1S2(=O)=O ZINC000036382282 563127912 /nfs/dbraw/zinc/12/79/12/563127912.db2.gz MYDYINNCUMXWNV-UHFFFAOYSA-N -1 0 466.820 5.101 3 0 JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]4(C)[C@@]3(C)CC[C@@H]2C1(C)C ZINC000036385261 563128550 /nfs/dbraw/zinc/12/85/50/563128550.db2.gz RIXNFYQZWDGQAE-MUGAVBOCSA-N -1 0 498.748 7.804 1 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3F)C(C(=O)[O-])=CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000036387312 563129147 /nfs/dbraw/zinc/12/91/47/563129147.db2.gz YTUBWPWHEWFPSA-ZEQRLZLVSA-N -1 0 485.964 5.676 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3F)C(C(=O)[O-])=CC[C@H]2c2cccc(Cl)c2)cc1 ZINC000036387313 563129151 /nfs/dbraw/zinc/12/91/51/563129151.db2.gz SYQGWMLRXDMHTB-ZEQRLZLVSA-N -1 0 485.964 5.676 3 0 JKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000036387344 563129241 /nfs/dbraw/zinc/12/92/41/563129241.db2.gz SDQDBLMNODEFQS-ZCYQVOJMSA-N -1 0 481.545 5.031 3 0 JKAFRM Cc1ccccc1S(=O)(=O)N1[C@H](c2ccc(Cl)cc2)CC=C(C(=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000036387346 563129245 /nfs/dbraw/zinc/12/92/45/563129245.db2.gz OOHITFKWQNSSGD-UPVQGACJSA-N -1 0 485.964 5.676 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387342 563129250 /nfs/dbraw/zinc/12/92/50/563129250.db2.gz NZLDHQRPHZKZQI-DQEYMECFSA-N -1 0 465.546 5.331 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1 ZINC000036387341 563129259 /nfs/dbraw/zinc/12/92/59/563129259.db2.gz OXRQFQPXCQEZKQ-SVBPBHIXSA-N -1 0 493.600 6.146 3 0 JKAFRM COc1cccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387331 563129262 /nfs/dbraw/zinc/12/92/62/563129262.db2.gz XUFRSJCUIQNCLF-DQEYMECFSA-N -1 0 498.000 5.545 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036387354 563129268 /nfs/dbraw/zinc/12/92/68/563129268.db2.gz DWZCCGCLWUEYLE-UNMCSNQZSA-N -1 0 474.003 5.598 3 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000036471733 563130339 /nfs/dbraw/zinc/13/03/39/563130339.db2.gz NFBBPROWDXTYCL-OEMDQZJXSA-N -1 0 470.694 6.413 1 0 JKAFRM COc1ccc(-c2cc(COc3ccc(OCC(=O)[O-])c(C)c3)cc(-c3ccc(OC)cc3)c2)cc1 ZINC000037866912 563131088 /nfs/dbraw/zinc/13/10/88/563131088.db2.gz HEWBHWRCWQCEDQ-UHFFFAOYSA-N -1 0 484.548 6.389 1 0 JKAFRM C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CCC1(C)C ZINC000038234556 563133482 /nfs/dbraw/zinc/13/34/82/563133482.db2.gz AOPRULAJESZMMJ-VRMMMJFGSA-N -1 0 470.738 7.480 1 0 JKAFRM C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CC(C)(C)C)oc3C)ccc2C[C@H]1C(=O)[O-] ZINC000038383390 563134122 /nfs/dbraw/zinc/13/41/22/563134122.db2.gz YUDXRWYQKSAUKG-WHZIXYNMSA-N -1 0 492.616 5.524 1 0 JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000038429847 563134376 /nfs/dbraw/zinc/13/43/76/563134376.db2.gz BHVJSLPLFOAMEV-NJIUISFFSA-N -1 0 456.711 7.378 1 0 JKAFRM CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C(=O)[O-])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000038662062 563135326 /nfs/dbraw/zinc/13/53/26/563135326.db2.gz OKLAKFASQGMWRS-RDXQEYJHSA-N -1 0 498.748 8.115 1 0 JKAFRM O=C([O-])c1cc(=O)c2ccc(OCCCCCOc3cccc(OCc4ccccc4)c3)cc2o1 ZINC000039213221 563136369 /nfs/dbraw/zinc/13/63/69/563136369.db2.gz GAAQTRGKCRMQTH-UHFFFAOYSA-N -1 0 474.509 5.698 1 0 JKAFRM COc1c(Cl)cc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1Cl ZINC000040379872 563137410 /nfs/dbraw/zinc/13/74/10/563137410.db2.gz DZGUNOYJVJNONT-UHFFFAOYSA-N -1 0 469.944 5.485 1 0 JKAFRM CC1(C)C[C@@H](O)[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000040391791 563137831 /nfs/dbraw/zinc/13/78/31/563137831.db2.gz SSGQNTBKIXJPSE-FHXXJBRDSA-N -1 0 470.694 6.413 1 0 JKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(=CC[C@@]5(C(=O)[O-])CCC(C)(C)C[C@@H]45)[C@]3(C)CC[C@@H]2C1(C)C ZINC000040392504 563138007 /nfs/dbraw/zinc/13/80/07/563138007.db2.gz WXKHJCDACFREHC-VGXOWKQNSA-N -1 0 484.721 7.414 1 0 JKAFRM O=C([O-])C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000040394094 563138645 /nfs/dbraw/zinc/13/86/45/563138645.db2.gz SRMCCUJFUUQXDZ-UHFFFAOYSA-N -1 0 483.364 5.889 1 0 JKAFRM C[C@@H](C(=O)[O-])N1CCCN(c2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C1=O ZINC000040394303 563138716 /nfs/dbraw/zinc/13/87/16/563138716.db2.gz RUIWWVAGKRDUFR-FQEVSTJZSA-N -1 0 481.552 5.586 1 0 JKAFRM C[C@H](C(=O)[O-])N1CCCN(c2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C1=O ZINC000040394304 563138725 /nfs/dbraw/zinc/13/87/25/563138725.db2.gz RUIWWVAGKRDUFR-HXUWFJFHSA-N -1 0 481.552 5.586 1 0 JKAFRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1ccccc1Cl)C1CCCCC1 ZINC000040394688 563138890 /nfs/dbraw/zinc/13/88/90/563138890.db2.gz JRUBKERWSNTXKV-QHCPKHFHSA-N -1 0 479.964 5.901 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(C(=O)[O-])CCC(=O)CC2)c(C)c1 ZINC000040410821 563140686 /nfs/dbraw/zinc/14/06/86/563140686.db2.gz ZUUGDISHVJEEMF-UHFFFAOYSA-N -1 0 487.556 5.105 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@@H]2C1 ZINC000040411520 563140784 /nfs/dbraw/zinc/14/07/84/563140784.db2.gz KNEXUHUBWRLDNK-ABDCSFLRSA-N -1 0 470.694 6.125 1 0 JKAFRM CC(C)c1cc2c(cc1OCc1ccc3ccccc3c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040424298 563142739 /nfs/dbraw/zinc/14/27/39/563142739.db2.gz OPFJJHOIHHOOPP-JJEZKPMQSA-N -1 0 456.626 7.637 1 0 JKAFRM CC1=CC[C@@H]2[C@H](CC[C@H](OC(=O)/C=C/c3ccc(O)cc3)C2(C)C)[C@H]1CC[C@H](C)CC(=O)[O-] ZINC000040430678 563143641 /nfs/dbraw/zinc/14/36/41/563143641.db2.gz ZSKLTPLHCIUPKA-LOWUFNJHSA-N -1 0 454.607 6.227 1 0 in-vivo JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000040475101 563144404 /nfs/dbraw/zinc/14/44/04/563144404.db2.gz PZXJOHSZQAEJFE-XNWPAUOFSA-N -1 0 458.727 7.169 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H]6C=NO[C@@H]6C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000040566728 563145765 /nfs/dbraw/zinc/14/57/65/563145765.db2.gz DOFHSVISBGLOLB-JILXNOLUSA-N -1 0 481.721 7.483 1 0 JKAFRM O=C([O-])c1cc(-c2cccs2)n(Cc2cc(Br)ccc2OCc2ccccc2)n1 ZINC000040568232 563146153 /nfs/dbraw/zinc/14/61/53/563146153.db2.gz RLKUZPFHZIJURC-UHFFFAOYSA-N -1 0 469.360 5.700 1 0 JKAFRM O=S(=O)(c1nc(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)[n-]1)C(F)(F)C(F)F ZINC000040631724 563147043 /nfs/dbraw/zinc/14/70/43/563147043.db2.gz ZHSKTMWQBZPJJQ-UHFFFAOYSA-N -1 0 453.244 5.682 1 0 JKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1cccc(Br)c1 ZINC000040767334 563148519 /nfs/dbraw/zinc/14/85/19/563148519.db2.gz NZZPOOOJDRHMCD-UHFFFAOYSA-N -1 0 480.156 5.042 1 0 JKAFRM Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000040835015 563148933 /nfs/dbraw/zinc/14/89/33/563148933.db2.gz JLZZODAWIHKLRO-XMMPIXPASA-N -1 0 493.991 6.209 1 0 JKAFRM Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1cc(O[C@@H](C)C(=O)[O-])ccc1F ZINC000040835840 563148997 /nfs/dbraw/zinc/14/89/97/563148997.db2.gz GQNSETYZJHTWKU-HNNXBMFYSA-N -1 0 454.885 5.830 1 0 JKAFRM CC[C@@H](Cc1cc(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)cc1F)C(=O)[O-] ZINC000040847110 563149365 /nfs/dbraw/zinc/14/93/65/563149365.db2.gz ZYTAJJSXWKDKGN-DRDFSEIWSA-N -1 0 493.619 5.885 1 0 JKAFRM CC[C@H](Cc1cc(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)cc1F)C(=O)[O-] ZINC000040847111 563149371 /nfs/dbraw/zinc/14/93/71/563149371.db2.gz ZYTAJJSXWKDKGN-JABOJVPZSA-N -1 0 493.619 5.885 1 0 JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)[C@H](O)C3 ZINC000040872344 563151424 /nfs/dbraw/zinc/15/14/24/563151424.db2.gz ARUDPAROWGJVLG-FUPYXVGYSA-N -1 0 470.694 6.557 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4[C@@H]4O[C@@H]4[C@@]3(C)[C@@H]2C1 ZINC000040875366 563152219 /nfs/dbraw/zinc/15/22/19/563152219.db2.gz DCSOSRBBKAIOTD-SCORLBCFSA-N -1 0 470.694 6.221 1 0 JKAFRM O=C([O-])[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc1)NC2=O ZINC000040891582 563153087 /nfs/dbraw/zinc/15/30/87/563153087.db2.gz BFZXMIUWGSTUAL-ZSOKXDGFSA-N -1 0 464.521 5.133 1 0 in-vivo JKAFRM Cc1cc(S(=O)(=O)Nc2nc(=O)c3cscc3[n-]2)c(SCc2ccccc2)cc1Cl ZINC000040893023 563153438 /nfs/dbraw/zinc/15/34/38/563153438.db2.gz XWCXBSDUNJQEJP-UHFFFAOYSA-N -1 0 478.020 5.040 1 0 JKAFRM C[C@H](CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000040894002 563153545 /nfs/dbraw/zinc/15/35/45/563153545.db2.gz MSMIBGMKDUWCSX-NKQLARRCSA-N -1 0 470.694 6.579 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)nc2C(=O)[O-])c1 ZINC000040897628 563154167 /nfs/dbraw/zinc/15/41/67/563154167.db2.gz HZIAVVQCQZRYKZ-UHFFFAOYSA-N -1 0 479.536 5.746 1 0 JKAFRM O=C([O-])C[C@H]1CCn2c3ccnc(-c4ccccc4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040913943 563155035 /nfs/dbraw/zinc/15/50/35/563155035.db2.gz FBPAMNUCEXQEIR-OAHLLOKOSA-N -1 0 469.393 7.123 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(C)c1 ZINC000040918112 563156090 /nfs/dbraw/zinc/15/60/90/563156090.db2.gz WELDJBWSWBTAQE-HSZRJFAPSA-N -1 0 461.562 5.638 1 0 JKAFRM CC(=O)OC[C@@]1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4C5=C[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]21 ZINC000040919036 563156485 /nfs/dbraw/zinc/15/64/85/563156485.db2.gz YTFJZCMZQXUYQM-DUKHJINKSA-N -1 0 498.704 6.595 1 0 JKAFRM O=C([O-])c1ccc(NC(=O)c2cccc(Cc3cccc4cccnc43)c2)c(Cc2cccc(F)c2)c1 ZINC000040939123 563158593 /nfs/dbraw/zinc/15/85/93/563158593.db2.gz MXFCGSUOQATQFO-UHFFFAOYSA-N -1 0 490.534 6.506 1 0 JKAFRM CO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(C)C)cc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000040940615 563158935 /nfs/dbraw/zinc/15/89/35/563158935.db2.gz RZOXULQOOIZTDM-DEOSSOPVSA-N -1 0 479.598 6.252 1 0 JKAFRM Cc1c(C(=O)[N-]C(=O)OCC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040940468 563158962 /nfs/dbraw/zinc/15/89/62/563158962.db2.gz OUMDKQMLKUHZBZ-UHFFFAOYSA-N -1 0 494.806 6.720 1 0 JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000040950774 563159514 /nfs/dbraw/zinc/15/95/14/563159514.db2.gz CGZZFWMLSVHLFZ-FUQFICMISA-N -1 0 454.695 7.442 1 0 JKAFRM CC(C)=CCc1c([O-])c(CC=C(C)C)c2c(c1O)C(=O)c1c(O)cc(C)c(CC=C(C)C)c1[C@H]2O ZINC000040952065 563159860 /nfs/dbraw/zinc/15/98/60/563159860.db2.gz HAPSTBPDRQRBSO-GDLZYMKVSA-N -1 0 476.613 6.264 1 0 JKAFRM C[C@H]1[C@@]2(O)OC[C@@]13CC[C@H]1[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]14C)[C@@H]3C[C@H]2O ZINC000042875577 563163023 /nfs/dbraw/zinc/16/30/23/563163023.db2.gz JPAXVSRGFJVPEU-XCIUXINDSA-N -1 0 488.709 5.622 1 0 in-vitro JKAFRM CC(C)c1cc(Oc2c(Br)cc(C[P@@](=O)([O-])O)cc2Br)ccc1O ZINC000042888227 563163366 /nfs/dbraw/zinc/16/33/66/563163366.db2.gz OKARMSOGGGWFDN-UHFFFAOYSA-N -1 0 480.089 5.511 1 0 JKAFRM CCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000042889117 563163397 /nfs/dbraw/zinc/16/33/97/563163397.db2.gz CERIWOVVBPGJLM-YADHBBJMSA-N -1 0 470.447 5.668 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(Oc2ccccc2)nc1 ZINC000042990031 563163946 /nfs/dbraw/zinc/16/39/46/563163946.db2.gz WLYXNJNWTRGNDW-UHFFFAOYSA-N -1 0 465.581 6.013 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1-c1nc2ccccc2s1 ZINC000043010885 563164102 /nfs/dbraw/zinc/16/41/02/563164102.db2.gz UEUMSECHKKKKBR-UHFFFAOYSA-N -1 0 488.965 6.806 1 0 JKAFRM Cc1c(S(=O)(=O)[N-]c2sccc2-c2nc3ccccc3s2)cnn1-c1ccccc1 ZINC000043017965 563164731 /nfs/dbraw/zinc/16/47/31/563164731.db2.gz XOSFDYYOPPUBNR-UHFFFAOYSA-N -1 0 452.586 5.320 1 0 JKAFRM CC1(C)C=Cc2c(-c3ccc(NC(=O)CCC(=O)[O-])cc3)cc3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000043021384 563165063 /nfs/dbraw/zinc/16/50/63/563165063.db2.gz REPFDBSIJCYJDH-UHFFFAOYSA-N -1 0 495.531 6.115 1 0 JKAFRM COc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccccc3-c3nc4ccccc4s3)cc2)cc1 ZINC000043025486 563165450 /nfs/dbraw/zinc/16/54/50/563165450.db2.gz PPQMYNGUFNKERH-UHFFFAOYSA-N -1 0 472.591 6.440 1 0 JKAFRM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3sccc3-c3nc4ccccc4s3)c2)o1 ZINC000043060349 563165652 /nfs/dbraw/zinc/16/56/52/563165652.db2.gz MDUZGDMSORNVBL-UHFFFAOYSA-N -1 0 454.558 5.184 1 0 JKAFRM COc1ccc(-c2ccc(S(=O)(=O)[N-]c3sccc3-c3nc4ccccc4s3)cc2)cc1 ZINC000043062284 563165889 /nfs/dbraw/zinc/16/58/89/563165889.db2.gz FDUYWEZSXUPRJF-UHFFFAOYSA-N -1 0 478.620 6.501 1 0 JKAFRM O=C([O-])c1cccc(-c2ccc3c(ccc(Cl)c3C(=O)NCC34CC5CC(CC(C5)C3)C4)n2)c1 ZINC000043122787 563167727 /nfs/dbraw/zinc/16/77/27/563167727.db2.gz VEXQDRCYDJOVGB-UHFFFAOYSA-N -1 0 474.988 6.200 1 0 JKAFRM COc1cccc([C@@H]2O[C@@H](CC(=O)[O-])c3noc(C(C)C)c3-c3ccc(Cl)cc32)c1OC ZINC000043178075 563168231 /nfs/dbraw/zinc/16/82/31/563168231.db2.gz WRADIXPKOCXFKO-MBSDFSHPSA-N -1 0 457.910 5.771 1 0 JKAFRM O=C([O-])c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c(-c2ccc([C@@H](O)C(F)F)cc2)c1 ZINC000043205374 563168652 /nfs/dbraw/zinc/16/86/52/563168652.db2.gz PLNKQIULCCRLIX-HSZRJFAPSA-N -1 0 472.409 7.189 1 0 JKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000043569763 563170474 /nfs/dbraw/zinc/17/04/74/563170474.db2.gz YJBVHJIKNLBFDX-WVCOKPIASA-N -1 0 498.748 7.660 1 0 JKAFRM CO/N=C(/C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000043815665 563171091 /nfs/dbraw/zinc/17/10/91/563171091.db2.gz XSAOIULNDFNQPA-HUVNKGEFSA-N -1 0 487.725 6.536 1 0 JKAFRM C[C@H]1[C@H](C(=O)[O-])C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000044386569 563172320 /nfs/dbraw/zinc/17/23/20/563172320.db2.gz IWVWTVWLRSUYNC-YLOASUEESA-N -1 0 472.710 6.060 1 0 in-vitro JKAFRM O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000045254484 563182459 /nfs/dbraw/zinc/18/24/59/563182459.db2.gz XXEUCGGVUVJTEB-BAQGIRSFSA-N -1 0 463.940 5.717 1 0 JKAFRM COc1c(CN2CCOCC2)cccc1-c1cc2c(nccc2-c2ccc(C(=O)[O-])c(C(C)C)c2)[nH]1 ZINC000045301573 563185865 /nfs/dbraw/zinc/18/58/65/563185865.db2.gz KSEAARDEHPZKAN-UHFFFAOYSA-N -1 0 485.584 5.559 1 0 JKAFRM CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(C(=O)[O-])ccc34)cc2)no1 ZINC000045317669 563187630 /nfs/dbraw/zinc/18/76/30/563187630.db2.gz WCKIQBNFMHWBGG-UHFFFAOYSA-N -1 0 475.530 5.844 1 0 JKAFRM O=C([O-])c1ccccc1C(=O)N(Cc1cccc(Oc2ccccc2)c1)CC12CC3CC(CC(C3)C1)C2 ZINC000045352916 563192023 /nfs/dbraw/zinc/19/20/23/563192023.db2.gz WAQZDYMUVXMTGD-UHFFFAOYSA-N -1 0 495.619 7.036 1 0 JKAFRM CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000045365801 563193038 /nfs/dbraw/zinc/19/30/38/563193038.db2.gz NAWJPGRPQOYISL-RTBURBONSA-N -1 0 451.544 5.575 1 0 JKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3ccc(F)cc3)ccc2CCC(=O)[O-])c1 ZINC000045367535 563193293 /nfs/dbraw/zinc/19/32/93/563193293.db2.gz UGNHEAQVFRJTQQ-NDEPHWFRSA-N -1 0 491.603 6.556 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000045367781 563193332 /nfs/dbraw/zinc/19/33/32/563193332.db2.gz KHHCAIWHDUGXHC-WOJBJXKFSA-N -1 0 465.571 5.963 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000045367787 563193353 /nfs/dbraw/zinc/19/33/53/563193353.db2.gz UGJGKRRBYNUOAE-UHFFFAOYSA-N -1 0 459.523 6.084 1 0 JKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccnc(N2CCCC2)c1 ZINC000045368717 563193421 /nfs/dbraw/zinc/19/34/21/563193421.db2.gz MWKAFMGLLZSPHJ-UHFFFAOYSA-N -1 0 491.563 5.891 1 0 JKAFRM CC(C)N(C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1)C(C)C ZINC000045368022 563193443 /nfs/dbraw/zinc/19/34/43/563193443.db2.gz KLIVOURXYYTZBE-UHFFFAOYSA-N -1 0 450.579 6.293 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc(F)c1 ZINC000045370593 563193678 /nfs/dbraw/zinc/19/36/78/563193678.db2.gz ZKWLYZRHRQHRJH-SANMLTNESA-N -1 0 463.549 5.939 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccccc1F ZINC000045374539 563194100 /nfs/dbraw/zinc/19/41/00/563194100.db2.gz ZUASJMLJMPWKTC-SANMLTNESA-N -1 0 463.549 5.939 1 0 JKAFRM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-] ZINC000045374732 563194112 /nfs/dbraw/zinc/19/41/12/563194112.db2.gz ALGGHMKJRRYWGC-AREMUKBSSA-N -1 0 475.585 5.809 1 0 JKAFRM O=C([O-])Cc1sc(Nc2ccc3ccccc3c2)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000045375233 563194167 /nfs/dbraw/zinc/19/41/67/563194167.db2.gz LUMYFIZBELOLKZ-UHFFFAOYSA-N -1 0 452.535 7.126 1 0 JKAFRM O=C([O-])C[C@@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2ccc(Cl)cc21 ZINC000045374905 563194222 /nfs/dbraw/zinc/19/42/22/563194222.db2.gz CIBXWQVHSMWQOJ-CYYXOFGOSA-N -1 0 457.014 5.170 1 0 JKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCc1cccc([C@@](O)(C(=O)[O-])C(F)(F)F)c1 ZINC000045384374 563194297 /nfs/dbraw/zinc/19/42/97/563194297.db2.gz UTWQJLCAOQBPBX-HXUWFJFHSA-N -1 0 455.885 5.392 1 0 JKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCc1cccc([C@](O)(C(=O)[O-])C(F)(F)F)c1 ZINC000045384379 563194310 /nfs/dbraw/zinc/19/43/10/563194310.db2.gz UTWQJLCAOQBPBX-FQEVSTJZSA-N -1 0 455.885 5.392 1 0 JKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3F)ccc2CCC(=O)[O-])c1 ZINC000045385816 563194507 /nfs/dbraw/zinc/19/45/07/563194507.db2.gz GZDWUKOMCIOVJR-MHZLTWQESA-N -1 0 491.603 6.556 1 0 JKAFRM COc1cccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])c1 ZINC000045386886 563194580 /nfs/dbraw/zinc/19/45/80/563194580.db2.gz HQKJWIPMGGAVGS-HHHXNRCGSA-N -1 0 475.585 5.809 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc(CC[P@@](=O)([O-])O)cc2Br)ccc1O ZINC000045495152 563195416 /nfs/dbraw/zinc/19/54/16/563195416.db2.gz KBVRTIFBFXKNNU-UHFFFAOYSA-N -1 0 494.116 5.553 1 0 JKAFRM O=C([O-])CC[C@]1(c2cccc(C(F)(F)F)c2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000049015346 563197239 /nfs/dbraw/zinc/19/72/39/563197239.db2.gz BGFWYEFBAHLCNL-OAQYLSRUSA-N -1 0 454.876 5.789 1 0 JKAFRM CCCc1ccc(-c2oc(COc3ccc(OCC(=O)[O-])c(C)c3)nc2-c2ccc(OC)cc2)cc1 ZINC000049021299 563197748 /nfs/dbraw/zinc/19/77/48/563197748.db2.gz XXWKUDASTWQWDH-UHFFFAOYSA-N -1 0 487.552 6.321 1 0 JKAFRM CC1(C)CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049033044 563198090 /nfs/dbraw/zinc/19/80/90/563198090.db2.gz OACHIIJBVSXTEJ-VRKDNAIFSA-N -1 0 470.694 6.414 1 0 JKAFRM Cc1ccc(NC(=O)CN(Cc2cccs2)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000049046896 563199510 /nfs/dbraw/zinc/19/95/10/563199510.db2.gz ZIDZJLMNJDVTDJ-UHFFFAOYSA-N -1 0 466.603 5.248 1 0 JKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1)c1cccc2ccccc21 ZINC000049066506 563200529 /nfs/dbraw/zinc/20/05/29/563200529.db2.gz VNPBXBNWSYMQTB-HSZRJFAPSA-N -1 0 461.974 6.434 1 0 JKAFRM CC(C)c1ccc(Nc2cc(Cl)nc(S[C@@H](C(=O)[O-])c3cccc4ccccc43)n2)cc1 ZINC000049066944 563200773 /nfs/dbraw/zinc/20/07/73/563200773.db2.gz GSSLNYXQADSUHX-HSZRJFAPSA-N -1 0 463.990 7.068 1 0 JKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)OC2CCCC2)c1 ZINC000049072043 563201443 /nfs/dbraw/zinc/20/14/43/563201443.db2.gz JBCVQQAMZPGYCX-UHFFFAOYSA-N -1 0 498.963 5.848 1 0 JKAFRM CC(C)(C)c1ccc(CSc2nc(Cc3ccccc3)c(I)c(=O)[n-]2)cc1 ZINC000049088884 563201715 /nfs/dbraw/zinc/20/17/15/563201715.db2.gz XATYVVXFPVJMAK-UHFFFAOYSA-N -1 0 490.410 5.967 1 0 JKAFRM Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)sc1C(=O)[O-] ZINC000049111731 563202328 /nfs/dbraw/zinc/20/23/28/563202328.db2.gz VFVRLYNJSVKDLQ-UHFFFAOYSA-N -1 0 456.886 5.047 1 0 JKAFRM CCO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000049554529 563202991 /nfs/dbraw/zinc/20/29/91/563202991.db2.gz FPFPBJJEDIYYGK-JOCHJYFZSA-N -1 0 451.544 5.518 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2C(=O)[O-])c1 ZINC000049567334 563203008 /nfs/dbraw/zinc/20/30/08/563203008.db2.gz LSHQVZFSAXXXRB-UHFFFAOYSA-N -1 0 480.524 5.141 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@@H](C[C@H]1C=NC(C(c3ccccc3)c3ccccc3)=N1)C2 ZINC000049583192 563203052 /nfs/dbraw/zinc/20/30/52/563203052.db2.gz GFVOZAMRAFUEHJ-YKSBVNFPSA-N -1 0 452.554 5.329 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000049881481 563204555 /nfs/dbraw/zinc/20/45/55/563204555.db2.gz YLHQFGOOMKJFLP-VNUPIYKRSA-N -1 0 488.709 5.177 1 0 in-vivo JKAFRM CCCCCC[C@@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)[O-] ZINC000053229251 563205246 /nfs/dbraw/zinc/20/52/46/563205246.db2.gz CTKVVCDWNBLQHQ-XMMPIXPASA-N -1 0 494.657 6.235 1 0 JKAFRM CCCC[C@H](Sc1nc(OCCc2ccsc2)cc(OCCc2ccsc2)n1)C(=O)[O-] ZINC000053229243 563205253 /nfs/dbraw/zinc/20/52/53/563205253.db2.gz QIQCUUUCCIRHPV-SFHVURJKSA-N -1 0 478.661 5.578 1 0 JKAFRM COc1cc(/C=C2\SC(=O)N([C@@H](C)c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053243558 563205386 /nfs/dbraw/zinc/20/53/86/563205386.db2.gz GZOLDSWDTAQYIQ-HZRSJKMUSA-N -1 0 489.549 5.770 1 0 JKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC(=O)[O-])cc3)C[C@@]21C ZINC000053276043 563205478 /nfs/dbraw/zinc/20/54/78/563205478.db2.gz HAQSVYQDRBJCHW-MJBQOYBXSA-N -1 0 487.640 5.251 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H]6C=NO[C@@H]6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000058562901 563207285 /nfs/dbraw/zinc/20/72/85/563207285.db2.gz DOFHSVISBGLOLB-MYPQJNJGSA-N -1 0 481.721 7.483 1 0 JKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc(N(C)c2cc(F)cc(F)c2)c1 ZINC000059280247 563209033 /nfs/dbraw/zinc/20/90/33/563209033.db2.gz XJFMHIKZWYQQTC-DEOSSOPVSA-N -1 0 477.473 7.633 1 0 JKAFRM CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)[O-])c2)c(C)c1 ZINC000059570191 563209106 /nfs/dbraw/zinc/20/91/06/563209106.db2.gz GWJDMRAKYPGSSI-HSZRJFAPSA-N -1 0 476.569 5.915 1 0 JKAFRM CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OC[C@@H]4CC(=O)[O-])c2)c(C)c1 ZINC000059860698 563209345 /nfs/dbraw/zinc/20/93/45/563209345.db2.gz LEQURGIJVFLRPH-QHCPKHFHSA-N -1 0 475.585 5.949 1 0 JKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061695500 563209511 /nfs/dbraw/zinc/20/95/11/563209511.db2.gz LAEMLQRFDSUBJD-ZCYQVOJMSA-N -1 0 482.001 5.845 3 0 JKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061695502 563209520 /nfs/dbraw/zinc/20/95/20/563209520.db2.gz UISHUNPHVMRCGL-UIOOFZCWSA-N -1 0 461.583 5.500 3 0 JKAFRM C[C@@H]1C[C@@H](C)[C@H]2N(C1)c1ccccc1C[C@@]21C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000071405187 569697201 /nfs/dbraw/zinc/69/72/01/569697201.db2.gz SPJVHAQEQMRTBO-QHASDSNTSA-N -1 0 472.372 5.510 2 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])C(=C3CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000095619498 571798369 /nfs/dbraw/zinc/79/83/69/571798369.db2.gz NOHMTCLUYAVQEY-JLDNBGJCSA-N -1 0 472.710 6.349 1 0 endogenous,in-man JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@@H](C=CC4=C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000095619987 571799356 /nfs/dbraw/zinc/79/93/56/571799356.db2.gz TTYAJXXKGDEWSY-XNYVTZMDSA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@]2(C(=O)[O-])C[C@@H]1O ZINC000100777331 571823785 /nfs/dbraw/zinc/82/37/85/571823785.db2.gz CFKXWTNHIJAFNL-VFJYWOFPSA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC[C@@]1(C)O ZINC000100778531 571828008 /nfs/dbraw/zinc/82/80/08/571828008.db2.gz URJPXMKINYSFCX-GRXRSWFYSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC[C@@]1(C)O ZINC000100778527 571828126 /nfs/dbraw/zinc/82/81/26/571828126.db2.gz URJPXMKINYSFCX-JGHSEILMSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C ZINC000100779517 571831304 /nfs/dbraw/zinc/83/13/04/571831304.db2.gz PHFUCJXOLZAQNH-UNNAEIIJSA-N -1 0 498.748 7.660 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000100779927 571832118 /nfs/dbraw/zinc/83/21/18/571832118.db2.gz LBYASJQBHLSHBP-CEKVWTEQSA-N -1 0 488.709 5.321 1 0 endogenous,in-man JKAFRM CC1(C)[C@@H](O)CC[C@@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000100780836 571834294 /nfs/dbraw/zinc/83/42/94/571834294.db2.gz BHVJSLPLFOAMEV-YQJVOVPASA-N -1 0 456.711 7.378 1 0 endogenous,in-man JKAFRM CC1=C2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC[C@H]1C ZINC000100781832 571836570 /nfs/dbraw/zinc/83/65/70/571836570.db2.gz SHLWEZVZPAYIHX-UATVUWDHSA-N -1 0 452.679 7.362 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100783642 571840290 /nfs/dbraw/zinc/84/02/90/571840290.db2.gz LLLYZDPEYDHSHM-JLGBKXMDSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100783638 571840314 /nfs/dbraw/zinc/84/03/14/571840314.db2.gz LLLYZDPEYDHSHM-MOGAVPGTSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000257570254 571860593 /nfs/dbraw/zinc/86/05/93/571860593.db2.gz VOYZLKWKVLYJHD-WOPMFYRVSA-N -1 0 454.695 7.608 1 0 endogenous,in-man JKAFRM C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)[O-] ZINC000034083350 574414203 /nfs/dbraw/zinc/41/42/03/574414203.db2.gz VOYZLKWKVLYJHD-PRJIMANSSA-N -1 0 454.695 7.608 1 0 endogenous,in-man JKAFRM C/C(=C\CC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(=O)[O-] ZINC000085588855 574416675 /nfs/dbraw/zinc/41/66/75/574416675.db2.gz CBMCFKYSTHHHCC-QZDMETRGSA-N -1 0 454.651 7.665 1 0 endogenous,in-man JKAFRM CC1(C)C[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)C[C@H](O)[C@]2(C(=O)[O-])C[C@@H]1O ZINC000085939531 574416883 /nfs/dbraw/zinc/41/68/83/574416883.db2.gz CFKXWTNHIJAFNL-FQSPNOCQSA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM CC(C)C[C@@H](c1c([O-])c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C ZINC000086022939 574416908 /nfs/dbraw/zinc/41/69/08/574416908.db2.gz VUKIJLQDSQXHDI-VGIUEDMHSA-N -1 0 472.622 5.718 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@@H](C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@H]12 ZINC000100778574 574418808 /nfs/dbraw/zinc/41/88/08/574418808.db2.gz WRACWYWAPQQRKC-JYRNMLKHSA-N -1 0 488.709 5.031 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@@H]1C ZINC000100778571 574418809 /nfs/dbraw/zinc/41/88/09/574418809.db2.gz WRACWYWAPQQRKC-BCKXJDAJSA-N -1 0 488.709 5.031 1 0 endogenous,in-man JKAFRM C[C@H](OC(=O)Nc1conc1-c1ccc(CSCCS(=O)(=O)[O-])cc1)c1ccccc1Cl ZINC000028903585 541108266 /nfs/dbraw/zinc/10/82/66/541108266.db2.gz BBAUSNASLABTDO-AWEZNQCLSA-N -1 0 496.994 5.426 1 0 JKAFRM C[C@@H](OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903637 541108413 /nfs/dbraw/zinc/10/84/13/541108413.db2.gz VCTGKBNGUMRKTK-MRXNPFEDSA-N -1 0 470.953 6.738 1 0 JKAFRM CC1(C)CC2=C3C=C[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]54C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1=O ZINC000035261409 291566605 /nfs/dbraw/zinc/56/66/05/291566605.db2.gz AWCDPINIVCMMLX-OQYGYVHTSA-N -1 0 468.678 6.333 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000085507927 291567609 /nfs/dbraw/zinc/56/76/09/291567609.db2.gz PGOYMURMZNDHNS-MCSCNOAZSA-N -1 0 472.710 6.206 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5[C@@](C)(O)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000095486114 291567262 /nfs/dbraw/zinc/56/72/62/291567262.db2.gz HIRCNLBWBHJLFF-HPTQXCTMSA-N -1 0 458.683 5.958 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(O)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000059588031 291568554 /nfs/dbraw/zinc/56/85/54/291568554.db2.gz BUOYQGLRFDDTLB-BRPZXPJZSA-N -1 0 458.683 5.958 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])C[C@@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095919255 291568560 /nfs/dbraw/zinc/56/85/60/291568560.db2.gz LEXAHJRIYUVAFU-UFFRAQNKSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1=C2C3=CC[C@H]4[C@@](C)(CC[C@@H]5[C@H](C)[C@@H](O)[C@H](O)C[C@@]54C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@H]1C ZINC000059589031 291573335 /nfs/dbraw/zinc/57/33/35/291573335.db2.gz WLYRQWGKOGSNCG-WJQXHYKPSA-N -1 0 456.667 5.734 1 0 biogenic,in-vitro JKAFRM CCCCC[C@H](O)/C=C/C(=C/CCCC[C@@H](CCC(=O)[O-])CCC(C)C)Cc1cccc(O)c1 ZINC000085490986 291580979 /nfs/dbraw/zinc/58/09/79/291580979.db2.gz QMFSSYXHPPZYOU-OKPQYTAYSA-N -1 0 472.710 7.836 1 0 biogenic,in-vitro JKAFRM CC[C@H](C)C(=O)c1c([O-])c(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)c(O)c2c1OC(C)(C)C=C2 ZINC000014585782 291583902 /nfs/dbraw/zinc/58/39/02/291583902.db2.gz CKDCFMPRWZIMFC-ZDUSSCGKSA-N -1 0 498.572 5.366 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000013913671 291594151 /nfs/dbraw/zinc/59/41/51/291594151.db2.gz LJORXTIGOHMBOS-OTRVPSFMSA-N -1 0 486.693 5.383 1 0 in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000095910709 291594279 /nfs/dbraw/zinc/59/42/79/291594279.db2.gz PEMTYRITAVXZON-YIMBSOPQSA-N -1 0 474.726 6.284 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000070455088 291595184 /nfs/dbraw/zinc/59/51/84/291595184.db2.gz WCGUUGGRBIKTOS-PHONOTOVSA-N -1 0 456.711 7.090 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@H](C(=O)[O-])C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000085541384 291594850 /nfs/dbraw/zinc/59/48/50/291594850.db2.gz IWVWTVWLRSUYNC-JETWOLCQSA-N -1 0 472.710 6.060 1 0 biogenic,in-vitro JKAFRM CCC[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000073224727 551090768 /nfs/dbraw/zinc/09/07/68/551090768.db2.gz JZRVULXACDFRFB-NRFANRHFSA-N -1 0 474.483 5.049 1 0 JKAFRM CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)[O-])c1 ZINC000012380235 555968551 /nfs/dbraw/zinc/96/85/51/555968551.db2.gz DUMKXWXOBPSKLC-COHKGRJRSA-N -1 0 463.533 5.463 1 0 JKAFRM COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c(CCc2cccc3c4cc[nH]c4ccc23)c1=O ZINC000103533312 560050863 /nfs/dbraw/zinc/05/08/63/560050863.db2.gz FAMWQKGBKZEZIB-UHFFFAOYSA-N -1 0 492.507 5.791 1 0 biogenic,in-vitro JKAFRM C[C@H]1C(=O)C=C([O-])[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C ZINC000103580844 560051763 /nfs/dbraw/zinc/05/17/63/560051763.db2.gz GHYIARLQCDYHKZ-SWYPHCAISA-N -1 0 456.711 6.607 1 0 biogenic,in-vitro JKAFRM CCC[C@@H](c1c2c(c(OC(C)=O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2)[C@H](CC)C(=O)[O-] ZINC000095912385 560057161 /nfs/dbraw/zinc/05/71/61/560057161.db2.gz TZINQRXWSFWQLL-NXNVCVFFSA-N -1 0 458.551 5.390 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@H](O)C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)[O-])C[C@@H]4[C@]3(C)CC[C@]12C ZINC000095912180 560057416 /nfs/dbraw/zinc/05/74/16/560057416.db2.gz SWVZUKMWVDSFBK-AJKYUBJWSA-N -1 0 472.710 6.493 1 0 biogenic,in-vitro JKAFRM C[C@H]1[C@@H](O)CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@H]3CC(C)(C)CC[C@]3(C(=O)[O-])CC[C@@]12C ZINC000095099079 560062731 /nfs/dbraw/zinc/06/27/31/560062731.db2.gz SWXBCXVNBGHVGG-FSFVTXLASA-N -1 0 458.727 7.314 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(C(=O)[O-])C[C@@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000085541381 560071572 /nfs/dbraw/zinc/07/15/72/560071572.db2.gz JTBGJQZJEYVBJZ-FAWNIBBOSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM C[C@@H]1[C@@]23CO[C@@]1(O)C[C@@H]1C=CC[C@]4(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@H]4CC2)[C@H]13 ZINC000085530835 560073381 /nfs/dbraw/zinc/07/33/81/560073381.db2.gz VMPNOMVZGRCXEW-VRWQQAJPSA-N -1 0 496.732 6.818 1 0 biogenic,in-vitro JKAFRM CCCCC[C@H](O)/C=C/C(Cc1cccc(O)c1)=C(/CCCCCCCC(=O)[O-])C[C@H](O)CO ZINC000085490900 560075336 /nfs/dbraw/zinc/07/53/36/560075336.db2.gz XRCWKFUNHPNUCU-KFQXVYDWSA-N -1 0 476.654 5.287 1 0 biogenic,in-vitro JKAFRM O=C([O-])[C@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)C1 ZINC000085489230 560075622 /nfs/dbraw/zinc/07/56/22/560075622.db2.gz RIGMQCSQLHTTSN-GQWNABRDSA-N -1 0 486.696 8.235 1 0 biogenic,in-vitro JKAFRM C[C@@H]1C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C(=O)[O-])[C@H](O)C[C@]21C ZINC000059586670 560082930 /nfs/dbraw/zinc/08/29/30/560082930.db2.gz RVBCCBBWGJZXNN-UJZAGINFSA-N -1 0 456.667 6.023 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000033830953 560088748 /nfs/dbraw/zinc/08/87/48/560088748.db2.gz JZFSMVXQUWRSIW-WTIVQLNJSA-N -1 0 456.711 7.234 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H](O)CC[C@]2(C)C3=C(CC[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000033829963 560089000 /nfs/dbraw/zinc/08/90/00/560089000.db2.gz BHVJSLPLFOAMEV-RSYXXIDBSA-N -1 0 456.711 7.378 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@@H]2CCC3=C(CC[C@@]4(C)[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@@H]1O ZINC000031460151 560089460 /nfs/dbraw/zinc/08/94/60/560089460.db2.gz BHVJSLPLFOAMEV-UHIFYLTQSA-N -1 0 456.711 7.378 1 0 biogenic,in-vitro JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000029548903 560091432 /nfs/dbraw/zinc/09/14/32/560091432.db2.gz RIXNFYQZWDGQAE-UUPNAFDOSA-N -1 0 498.748 7.804 1 0 biogenic,in-vitro JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003978423 560192569 /nfs/dbraw/zinc/19/25/69/560192569.db2.gz RIXNFYQZWDGQAE-RQYLSHQDSA-N -1 0 498.748 7.804 3 0 in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000013336505 560214639 /nfs/dbraw/zinc/21/46/39/560214639.db2.gz MDZKJHQSJHYOHJ-ZTOUVNLQSA-N -1 0 472.710 6.204 1 0 in-vitro JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000014510855 560222162 /nfs/dbraw/zinc/22/21/62/560222162.db2.gz NBSBUIQBEPROBM-NPQJVSSKSA-N -1 0 456.711 7.544 1 0 biogenic,in-vitro JKAFRM COc1cc(-c2oc3c(CC=C(C)C)c([O-])c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1O ZINC000014727562 560225240 /nfs/dbraw/zinc/22/52/40/560225240.db2.gz YRKLNCSPCWVPPC-UHFFFAOYSA-N -1 0 452.503 5.308 1 0 biogenic,in-vitro JKAFRM C/C1=C/[C@@H]2[C@@H](CC[C@@]3(C)Oc4c(C=O)c(O)c(C=O)c([O-])c4[C@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000015210032 571735762 /nfs/dbraw/zinc/73/57/62/571735762.db2.gz AGTXIGWLMDUUMQ-QZQYQGCYSA-N -1 0 454.607 6.412 1 0 endogenous,in-man JKAFRM C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c([O-])c3[C@H](CC(C)C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210126 571735981 /nfs/dbraw/zinc/73/59/81/571735981.db2.gz XJFLMCYKZVYATJ-LKNLEGSMSA-N -1 0 454.607 6.412 1 0 endogenous,in-man JKAFRM CCCN1c2ccccc2C(=O)N(CC(=O)[O-])c2cc(NC(=O)c3cc4ccccc4[nH]3)ccc21 ZINC000001484704 562920163 /nfs/dbraw/zinc/92/01/63/562920163.db2.gz UPABGOZTDGNXSU-UHFFFAOYSA-N -1 0 468.513 5.013 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000001538361 562920690 /nfs/dbraw/zinc/92/06/90/562920690.db2.gz LEXDBKWNASTIQM-MHZLTWQESA-N -1 0 487.492 6.248 1 0 JKAFRM CCCCc1nn(Cc2ccccc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001537861 562920707 /nfs/dbraw/zinc/92/07/07/562920707.db2.gz CHJNTVVKAIMAEW-UHFFFAOYSA-N -1 0 492.583 5.410 1 0 JKAFRM O=C([O-])[C@@H]1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000001537607 562920711 /nfs/dbraw/zinc/92/07/11/562920711.db2.gz DQQVSOQULBELQB-NDEPHWFRSA-N -1 0 461.561 5.447 1 0 JKAFRM CCCCc1nc2ccc(C)cc2c(=O)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000001545018 562921017 /nfs/dbraw/zinc/92/10/17/562921017.db2.gz WAZHPOHPQXBJKI-SANMLTNESA-N -1 0 456.542 5.301 1 0 JKAFRM CCCCc1ncc(/C=C(\Cc2ccc3c(c2)OCO3)C(=O)[O-])n1Cc1ccccc1Cl ZINC000001552584 562921305 /nfs/dbraw/zinc/92/13/05/562921305.db2.gz TYIGSAOZRFQDSQ-CPNJWEJPSA-N -1 0 452.938 5.367 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1cccc(CC(=O)[O-])c1 ZINC000001554219 562921353 /nfs/dbraw/zinc/92/13/53/562921353.db2.gz SUBJAJAOVHMPAV-UHFFFAOYSA-N -1 0 459.542 6.312 1 0 JKAFRM CC(C)=CCc1c2c(c(=O)c3c([O-])c4c(oc1-3)-c1ccc(O)cc1O[C@@H]4C=C(C)C)C=CC(C)(C)O2 ZINC000001658456 562922897 /nfs/dbraw/zinc/92/28/97/562922897.db2.gz NECAWZYXMSKYRB-JOCHJYFZSA-N -1 0 486.564 6.964 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(F)cc1F ZINC000003594407 562927351 /nfs/dbraw/zinc/92/73/51/562927351.db2.gz HEYIRSBCGIUTHR-NRFANRHFSA-N -1 0 474.301 5.066 1 0 JKAFRM O=C([O-])CCc1ccccc1Cc1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000003779711 562927837 /nfs/dbraw/zinc/92/78/37/562927837.db2.gz MDGKVHITCQLBLJ-UHFFFAOYSA-N -1 0 488.628 6.430 1 0 JKAFRM O=C([O-])Cc1cccc(Cc2ccccc2-c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 ZINC000003790807 562928167 /nfs/dbraw/zinc/92/81/67/562928167.db2.gz DXCUBVVFKFOPGL-UHFFFAOYSA-N -1 0 474.601 6.040 1 0 JKAFRM O=C([O-])CCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000003791015 562928200 /nfs/dbraw/zinc/92/82/00/562928200.db2.gz STPWAVMCNFZELS-UHFFFAOYSA-N -1 0 466.625 8.090 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@@H](Cn1cc(C(c3ccccc3)c3ccccc3)cn1)C2 ZINC000003793151 562928222 /nfs/dbraw/zinc/92/82/22/562928222.db2.gz WDYCQLVGOXQMNC-OAQYLSRUSA-N -1 0 452.554 5.332 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC[C@H]2CCn1cc(C(c2ccccc2)c2ccccc2)cn1 ZINC000003793183 562928236 /nfs/dbraw/zinc/92/82/36/562928236.db2.gz TUIWEMPPYBITOW-QFIPXVFZSA-N -1 0 466.581 6.037 1 0 JKAFRM CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](OS(=O)(=O)[O-])[C@H](C)CCCc1ccoc1 ZINC000003801954 562928468 /nfs/dbraw/zinc/92/84/68/562928468.db2.gz HXCWHJGIRYQQDZ-WTGOJFTASA-N -1 0 452.657 6.615 1 0 JKAFRM COc1ccc(OC)c(C(=O)C[C@@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)[O-])c2)c1 ZINC000003812590 562928845 /nfs/dbraw/zinc/92/88/45/562928845.db2.gz FEFVKVHIBSYGCX-LJQANCHMSA-N -1 0 450.462 5.171 1 0 JKAFRM CCCc1cc(SC(F)(F)F)ccc1OCCCOc1ccc2c(c1)C[C@@](CC)(C(=O)[O-])O2 ZINC000003938052 562930215 /nfs/dbraw/zinc/93/02/15/562930215.db2.gz JYEWQWZFTYOTGP-QHCPKHFHSA-N -1 0 484.536 6.267 1 0 JKAFRM CC[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(CCC(F)(F)F)cc3Cl)ccc2O1 ZINC000003938055 562930234 /nfs/dbraw/zinc/93/02/34/562930234.db2.gz QWPAMXBSCSNHEB-QFIPXVFZSA-N -1 0 472.887 5.851 1 0 JKAFRM CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)[O-] ZINC000003942734 562930362 /nfs/dbraw/zinc/93/03/62/562930362.db2.gz ZYXIXLCLHFATLN-QFIPXVFZSA-N -1 0 472.463 5.704 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)[O-])cc3c2Br)ccc1O ZINC000003947640 562930517 /nfs/dbraw/zinc/93/05/17/562930517.db2.gz PKPVFOLUOGCXPY-UHFFFAOYSA-N -1 0 469.129 6.012 1 0 JKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000003949307 562930649 /nfs/dbraw/zinc/93/06/49/562930649.db2.gz AHHRDMWAAXCONK-KRWDZBQOSA-N -1 0 482.524 5.562 1 0 JKAFRM CC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)[N-]S(=O)(=O)c4ccccc4)oc3C)cc2)cc1 ZINC000003962738 562931049 /nfs/dbraw/zinc/93/10/49/562931049.db2.gz XNAPVSBXAOOHOT-UHFFFAOYSA-N -1 0 489.549 5.155 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@H](C(=O)[O-])CC2 ZINC000003992534 562931723 /nfs/dbraw/zinc/93/17/23/562931723.db2.gz GOEXSUARGSRYAV-SANMLTNESA-N -1 0 462.542 6.058 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1 ZINC000004349898 562933149 /nfs/dbraw/zinc/93/31/49/562933149.db2.gz KLHSKTMVSOWVLD-CIDOKVMISA-N -1 0 472.710 6.204 3 0 JKAFRM O=C([O-])c1cc2cc(c1)/N=C/c1ccccc1OCc1cccc(n1)COc1ccccc1/C=N/2 ZINC000005597079 562934503 /nfs/dbraw/zinc/93/45/03/562934503.db2.gz ACWTXEVTTCLOIU-CMNXJCJSSA-N -1 0 463.493 5.752 1 0 JKAFRM CC[C@@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c([C@@H](O)CC)cc(=O)oc12 ZINC000005766161 562934822 /nfs/dbraw/zinc/93/48/22/562934822.db2.gz PVNISOOZUQFLJH-IZUCHYEISA-N -1 0 456.579 6.112 1 0 JKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1 ZINC000006467612 562937345 /nfs/dbraw/zinc/93/73/45/562937345.db2.gz IEKPELSFCDOQBA-UHFFFAOYSA-N -1 0 469.607 5.012 1 0 JKAFRM CC(=O)c1ccc(-c2ccc(-c3cc(C(=O)N[C@H](CC(=O)[O-])c4ccccc4)sc3F)cc2)cc1 ZINC000006733442 562938248 /nfs/dbraw/zinc/93/82/48/562938248.db2.gz ZRKGOWPEUYUOLZ-XMMPIXPASA-N -1 0 487.552 6.370 1 0 JKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008021602 562938620 /nfs/dbraw/zinc/93/86/20/562938620.db2.gz LNDCWNDLTGXNLM-QHCPKHFHSA-N -1 0 470.953 5.069 3 0 JKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008022164 562938710 /nfs/dbraw/zinc/93/87/10/562938710.db2.gz MUGRIRJNICRSPF-SANMLTNESA-N -1 0 492.616 5.713 3 0 JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C ZINC000008035482 562938760 /nfs/dbraw/zinc/93/87/60/562938760.db2.gz WCGUUGGRBIKTOS-MLWYIOPRSA-N -1 0 456.711 7.090 1 0 JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C ZINC000008035519 562938797 /nfs/dbraw/zinc/93/87/97/562938797.db2.gz JXSVIVRDWWRQRT-FCRQWJPPSA-N -1 0 488.709 5.033 1 0 JKAFRM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3cccc(Cl)c3)C[C@@H]2C)c1 ZINC000008600132 562945450 /nfs/dbraw/zinc/94/54/50/562945450.db2.gz YNLOIEYNDIOPKK-SFHVURJKSA-N -1 0 463.965 5.314 1 0 JKAFRM CC(C)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000008660360 562948646 /nfs/dbraw/zinc/94/86/46/562948646.db2.gz OFQHILGMYPWRGQ-JZLNZZGQSA-N -1 0 475.714 5.648 1 0 JKAFRM O=C([O-])c1ccc(C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1 ZINC000011524184 562957325 /nfs/dbraw/zinc/95/73/25/562957325.db2.gz JZJWDQBEFFYZOT-UHFFFAOYSA-N -1 0 458.945 5.270 1 0 JKAFRM Cc1cc(-c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2Oc2ccccc2)ccc1Cl ZINC000012341151 562959421 /nfs/dbraw/zinc/95/94/21/562959421.db2.gz PJMHVNCUNQUKSM-UHFFFAOYSA-N -1 0 457.913 7.058 1 0 JKAFRM COc1ccc(C[C@H](C(=O)[O-])c2ccccc2)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012358293 562959591 /nfs/dbraw/zinc/95/95/91/562959591.db2.gz FCZSWIHAPOVKEP-FQEVSTJZSA-N -1 0 457.448 5.055 1 0 JKAFRM COc1ccc(C[C@@H](C(=O)[O-])c2ccccc2)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012358292 562959628 /nfs/dbraw/zinc/95/96/28/562959628.db2.gz FCZSWIHAPOVKEP-HXUWFJFHSA-N -1 0 457.448 5.055 1 0 JKAFRM CC(F)(F)CCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)[O-])Oc2ccccc21 ZINC000012358429 562959633 /nfs/dbraw/zinc/95/96/33/562959633.db2.gz VMUZJWMCFFUYIX-QFIPXVFZSA-N -1 0 461.505 5.092 1 0 JKAFRM O=C([O-])CCc1ccccc1OCC[C@H]1Oc2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000012358448 562959661 /nfs/dbraw/zinc/95/96/61/562959661.db2.gz VYXYPUPDSRFYSO-XMMPIXPASA-N -1 0 465.933 5.121 1 0 JKAFRM CCCc1cc(C(=O)C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358507 562959702 /nfs/dbraw/zinc/95/97/02/562959702.db2.gz DSILKMLNLQMKEG-AREMUKBSSA-N -1 0 495.641 6.274 1 0 JKAFRM CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358511 562959772 /nfs/dbraw/zinc/95/97/72/562959772.db2.gz UJHOOSFHNXHHKX-AREMUKBSSA-N -1 0 481.658 6.634 1 0 JKAFRM Cc1oc(C2CCCCC2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358528 562959812 /nfs/dbraw/zinc/95/98/12/562959812.db2.gz OYRNUVYEOVJEPD-NDEPHWFRSA-N -1 0 463.574 6.117 1 0 JKAFRM CCCC[C@](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000012358538 562959819 /nfs/dbraw/zinc/95/98/19/562959819.db2.gz REGUENFVHBQQHK-WJOKGBTCSA-N -1 0 499.607 6.907 1 0 JKAFRM CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)[N-]C2=O)c1 ZINC000012358514 562959842 /nfs/dbraw/zinc/95/98/42/562959842.db2.gz MRLDFFLOSKOQSJ-RUZDIDTESA-N -1 0 451.563 5.842 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@](C)(C(=O)[O-])CC2 ZINC000012358545 562959844 /nfs/dbraw/zinc/95/98/44/562959844.db2.gz REPLEBPTHZQCFG-LJAQVGFWSA-N -1 0 476.569 6.448 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)O[C@@](C)(C(=O)[O-])CC2 ZINC000012358550 562959894 /nfs/dbraw/zinc/95/98/94/562959894.db2.gz VWFYUDHZTCZXBE-SSEXGKCCSA-N -1 0 490.596 6.838 1 0 JKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1 ZINC000012358564 562959920 /nfs/dbraw/zinc/95/99/20/562959920.db2.gz XRGYPAWUPAPTQZ-HHHXNRCGSA-N -1 0 482.960 6.539 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@@H](CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000012726405 562960878 /nfs/dbraw/zinc/96/08/78/562960878.db2.gz CZWBKSDPBWNHGO-BSFYVEDMSA-N -1 0 472.710 6.206 3 0 JKAFRM C[C@H]1CC[C@@](C)(C(=O)N[C@@H](Cc2ccc(NC(=O)c3ccnc4ccccc43)cc2)C(=O)[O-])C1(C)C ZINC000013443116 562963775 /nfs/dbraw/zinc/96/37/75/562963775.db2.gz FDOHMBPAAFZCAE-HOUREDQLSA-N -1 0 487.600 5.061 1 0 JKAFRM CC(C)[C@H](C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)C(=O)[O-])c1ccccc1 ZINC000013443145 562963793 /nfs/dbraw/zinc/96/37/93/562963793.db2.gz RPBOWOMYXCORKU-SVBPBHIXSA-N -1 0 495.579 5.039 1 0 JKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(c3ccccc3)CCCCC2)C(=O)[O-])cc1 ZINC000013445284 562964032 /nfs/dbraw/zinc/96/40/32/562964032.db2.gz JGXWAXFCOGMJBH-VWLOTQADSA-N -1 0 457.570 5.376 1 0 JKAFRM COc1ccc(C2=C(C(=O)[O-])[C@H](c3ccc(OC)c(OC)c3)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473398 562966212 /nfs/dbraw/zinc/96/62/12/562966212.db2.gz FPKNYLGWZIIHST-MHZLTWQESA-N -1 0 476.525 5.520 1 0 JKAFRM COc1ccc([C@@H]2c3cc(OC(C)C)ccc3O[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])cc1 ZINC000013473504 562966282 /nfs/dbraw/zinc/96/62/82/562966282.db2.gz LXUQPMZLEMKTGW-UODIDJSMSA-N -1 0 462.498 5.178 1 0 JKAFRM COc1ccc(CC2=C(C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473477 562966284 /nfs/dbraw/zinc/96/62/84/562966284.db2.gz PYKKWGNJQPRNLU-HHHXNRCGSA-N -1 0 474.509 5.426 1 0 JKAFRM CC(C)Oc1ccc2c(c1)C(CC1CCCCC1)=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2 ZINC000013473461 562966288 /nfs/dbraw/zinc/96/62/88/562966288.db2.gz XYTVOWUHDSVFDD-SANMLTNESA-N -1 0 450.531 6.145 1 0 JKAFRM Cc1ccc(-c2cccc(-c3nc4c(ccc5cc(S(=O)(=O)[O-])cc(O)c45)[nH]3)c2O)cc1C ZINC000013475412 562966945 /nfs/dbraw/zinc/96/69/45/562966945.db2.gz IPKMSZINXYQZMC-UHFFFAOYSA-N -1 0 460.511 5.325 1 0 JKAFRM CC(C)(C)c1ccc(-c2cccc(-c3nc4c(ccc5cc(S(=O)(=O)[O-])cc(O)c45)[nH]3)c2)cc1 ZINC000013475413 562966974 /nfs/dbraw/zinc/96/69/74/562966974.db2.gz MWUYAUWDJVNZDG-UHFFFAOYSA-N -1 0 472.566 6.300 1 0 JKAFRM CCOc1ccc(-c2cc(C)nc(O[C@H](C(=O)[O-])C(C)(c3ccccc3)c3ccccc3)n2)cc1 ZINC000013489783 562968856 /nfs/dbraw/zinc/96/88/56/562968856.db2.gz KWXXXHXCVVFIMQ-AREMUKBSSA-N -1 0 468.553 5.689 1 0 JKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000013489819 562968921 /nfs/dbraw/zinc/96/89/21/562968921.db2.gz FYQULSGTDPUKBZ-UHFFFAOYSA-N -1 0 489.415 7.071 1 0 JKAFRM CCOc1cc2nc(CC(=O)[O-])nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490833 562969339 /nfs/dbraw/zinc/96/93/39/562969339.db2.gz XICSNJBVTZIFOD-UHFFFAOYSA-N -1 0 464.547 5.230 1 0 JKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000013492837 562970070 /nfs/dbraw/zinc/97/00/70/562970070.db2.gz FVWJGCNGOYKLND-UHFFFAOYSA-N -1 0 487.126 5.449 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2COCC(C)C)c1C ZINC000013492872 562970076 /nfs/dbraw/zinc/97/00/76/562970076.db2.gz PMKLMFUQSSVLTH-UHFFFAOYSA-N -1 0 481.574 5.587 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(-c3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521211 562970914 /nfs/dbraw/zinc/97/09/14/562970914.db2.gz APJPFVXOKVQGFK-RHMQENHLSA-N -1 0 467.631 5.389 1 0 JKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C\CCCC(=O)[O-])[C@H]2NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000013521370 562970975 /nfs/dbraw/zinc/97/09/75/562970975.db2.gz QDVZOVQVLGNECE-PBKCRPDDSA-N -1 0 495.641 6.116 1 0 JKAFRM O=C([O-])[C@H]1[C@H](Cn2nc3n(c2=O)CCCCC3)CC[C@@H]1Sc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000013525919 562971413 /nfs/dbraw/zinc/97/14/13/562971413.db2.gz XJZZRJAENCZOAK-APTRMMRNSA-N -1 0 498.048 5.363 1 0 JKAFRM O=C([O-])c1cc(-c2ccc(-c3ccc(F)c(Cl)c3)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000013534712 562972556 /nfs/dbraw/zinc/97/25/56/562972556.db2.gz SCEUFRHFXREEGO-UHFFFAOYSA-N -1 0 461.707 7.004 1 0 JKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000013539318 562972984 /nfs/dbraw/zinc/97/29/84/562972984.db2.gz KWVHTJRFJCTACX-SFHVURJKSA-N -1 0 455.860 6.610 1 0 JKAFRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000013553371 562973241 /nfs/dbraw/zinc/97/32/41/562973241.db2.gz NBYPQLFOMYFVRH-BTZRARBUSA-N -1 0 452.595 5.091 1 0 JKAFRM CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000013553664 562973436 /nfs/dbraw/zinc/97/34/36/562973436.db2.gz BZLTUCWBZRKZHF-XMMPIXPASA-N -1 0 469.603 5.833 1 0 JKAFRM O=C([O-])CS[C@@H](CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000013557717 562973941 /nfs/dbraw/zinc/97/39/41/562973941.db2.gz QEJSGEVFYKLAOJ-MHZLTWQESA-N -1 0 492.040 7.349 1 0 JKAFRM CC(=CCc1nnn[n-]1)c1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1 ZINC000013558178 562974225 /nfs/dbraw/zinc/97/42/25/562974225.db2.gz STPUZSKIOBUIEH-MKMNVTDBSA-N -1 0 471.439 5.287 1 0 JKAFRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(cccc3COc3ccc(Br)cc3)c2)cc1 ZINC000013560099 562975257 /nfs/dbraw/zinc/97/52/57/562975257.db2.gz UZGKYJBCZYVUFG-UHFFFAOYSA-N -1 0 476.326 6.132 1 0 JKAFRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(/C=C/c4ccc5ccc(Cl)cc5n4)cccc3c2)cc1 ZINC000013560094 562975282 /nfs/dbraw/zinc/97/52/82/562975282.db2.gz UMXMZMCABWCYMJ-FMIVXFBMSA-N -1 0 478.935 7.162 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(C)c2C(=O)[O-])cc1 ZINC000013560862 562975475 /nfs/dbraw/zinc/97/54/75/562975475.db2.gz YBVMIUSZGJGLEL-UHFFFAOYSA-N -1 0 464.569 6.271 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(N)c2C(=O)[O-])cc1 ZINC000013560864 562975477 /nfs/dbraw/zinc/97/54/77/562975477.db2.gz NDCNSIFWUFOHQO-UHFFFAOYSA-N -1 0 465.557 5.545 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c(C(=O)[O-])cnc3ccccc32)cc1 ZINC000013560860 562975517 /nfs/dbraw/zinc/97/55/17/562975517.db2.gz MJMZEZRBYBJKQY-UHFFFAOYSA-N -1 0 450.542 5.962 1 0 JKAFRM Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCc2ccc(C(=O)[O-])cc2)c1 ZINC000013585539 562976328 /nfs/dbraw/zinc/97/63/28/562976328.db2.gz DQBNEYSJJSAOQB-AHKZPQOWSA-N -1 0 492.015 6.061 1 0 JKAFRM O=C([O-])C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 ZINC000013586605 562976706 /nfs/dbraw/zinc/97/67/06/562976706.db2.gz AHFAXNLVTHDCEY-UHFFFAOYSA-N -1 0 481.923 6.183 1 0 JKAFRM CC(/C=C/C=C(/C)c1cc(-c2cc(F)cc(F)c2)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013587539 562977180 /nfs/dbraw/zinc/97/71/80/562977180.db2.gz WPVHQRRTUJTHOM-HSQINHPTSA-N -1 0 462.483 7.390 1 0 JKAFRM CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)(F)F)=C\C(=O)[O-] ZINC000013587534 562977201 /nfs/dbraw/zinc/97/72/01/562977201.db2.gz RMHYEVXCHZYYBT-WEMQTCASSA-N -1 0 456.520 7.510 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(F)cc12 ZINC000013588146 562977404 /nfs/dbraw/zinc/97/74/04/562977404.db2.gz TYQUWKMJFQSFJA-UHFFFAOYSA-N -1 0 465.524 6.716 1 0 JKAFRM O=C([N-]S(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000013588867 562977777 /nfs/dbraw/zinc/97/77/77/562977777.db2.gz YIGWFXXIGRKFDH-UHFFFAOYSA-N -1 0 459.354 5.115 1 0 JKAFRM O=C([O-])C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1 ZINC000013602434 562978440 /nfs/dbraw/zinc/97/84/40/562978440.db2.gz RBTLTWAJLHVMTF-UHFFFAOYSA-N -1 0 450.249 5.244 1 0 JKAFRM CC(C)c1cc(Oc2c(Cl)cc(N[C@H](Cc3ccccc3)C(=O)[O-])cc2Cl)ccc1O ZINC000013602472 562978442 /nfs/dbraw/zinc/97/84/42/562978442.db2.gz NGBYTDSMUBIEGS-OAQYLSRUSA-N -1 0 460.357 6.723 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000013604192 562978533 /nfs/dbraw/zinc/97/85/33/562978533.db2.gz PZXJOHSZQAEJFE-FZFNOLFKSA-N -1 0 458.727 7.169 1 0 in-vitro JKAFRM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)c(Oc2ccccc2)c1 ZINC000013611215 562979352 /nfs/dbraw/zinc/97/93/52/562979352.db2.gz OOFXKRBUWXHJMS-UHFFFAOYSA-N -1 0 461.876 6.889 1 0 JKAFRM CC(C)(C)[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1 ZINC000013671819 562982534 /nfs/dbraw/zinc/98/25/34/562982534.db2.gz QKQFLHYSVRUCLQ-QHCPKHFHSA-N -1 0 486.914 6.097 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2nc(C3CCCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674740 562983159 /nfs/dbraw/zinc/98/31/59/562983159.db2.gz JCENCZMCSSSIND-UHFFFAOYSA-N -1 0 489.660 6.947 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013677964 562983646 /nfs/dbraw/zinc/98/36/46/562983646.db2.gz WXKOPFMVUMNDBC-UHFFFAOYSA-N -1 0 490.478 6.076 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013677960 562983684 /nfs/dbraw/zinc/98/36/84/562983684.db2.gz TWVYNPULGKGJOS-UHFFFAOYSA-N -1 0 476.451 5.686 1 0 in-vivo JKAFRM Cc1c(CCOc2ccc(C(=O)[O-])cn2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678416 562983718 /nfs/dbraw/zinc/98/37/18/562983718.db2.gz HYFKXXJRSSSOGP-UHFFFAOYSA-N -1 0 496.994 6.956 1 0 JKAFRM O=C([O-])c1ccc(OC[C@@H](O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1 ZINC000013678376 562983770 /nfs/dbraw/zinc/98/37/70/562983770.db2.gz XJLSMGZHVBMVID-HSZRJFAPSA-N -1 0 466.599 5.709 1 0 JKAFRM O=C([O-])Cn1ccc2ccc(OCCCOc3ccc4cc(C(=O)c5ccccc5)ccc4c3)cc21 ZINC000013681516 562984202 /nfs/dbraw/zinc/98/42/02/562984202.db2.gz OQVNJRQZIUNACE-UHFFFAOYSA-N -1 0 479.532 5.958 1 0 JKAFRM O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3ccc([C@@H](O)c4ccccc4)cc31)c1ccccc1CO2 ZINC000013727130 562984980 /nfs/dbraw/zinc/98/49/80/562984980.db2.gz KCZHYDZIFMFGDZ-CRLGGPQASA-N -1 0 488.543 5.841 1 0 JKAFRM O=C([O-])CC[C@@H](CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)CCCc1cccnc1 ZINC000013730336 562985144 /nfs/dbraw/zinc/98/51/44/562985144.db2.gz ZELQCTQPUZUIFX-SFHVURJKSA-N -1 0 486.556 5.053 1 0 JKAFRM O=C([O-])CCCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733220 562985579 /nfs/dbraw/zinc/98/55/79/562985579.db2.gz NUPJOHLAKYWZHZ-KXEZBXAJSA-N -1 0 499.032 5.333 1 0 JKAFRM O=C([O-])CCC/C=C(\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733156 562985588 /nfs/dbraw/zinc/98/55/88/562985588.db2.gz XIMQLTCUQYUZQW-RREIPUBJSA-N -1 0 456.951 5.222 1 0 JKAFRM CC(C)(C)c1cccc(C(C)(C)C)c1OC(=O)N=C([O-])Oc1c(C(C)(C)C)cccc1C(C)(C)C ZINC000013738019 562986395 /nfs/dbraw/zinc/98/63/95/562986395.db2.gz CLPWBUFXXHAYCP-UHFFFAOYSA-N -1 0 481.677 8.164 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@@H](C)c2ccccc2)c1 ZINC000013742354 562987340 /nfs/dbraw/zinc/98/73/40/562987340.db2.gz VNFZUBTUWWPXJO-KGAYOUTBSA-N -1 0 482.580 6.536 1 0 JKAFRM CCC[C@H](C(C)C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742331 562987342 /nfs/dbraw/zinc/98/73/42/562987342.db2.gz BSAXVSGXMLPOHK-UMHYRIRXSA-N -1 0 476.617 6.924 1 0 JKAFRM COc1ccc(Cn2ccc3cc(/C(C)=C/C(=O)Nc4ccccc4OCCCC(=O)[O-])ccc32)cc1 ZINC000013742353 562987360 /nfs/dbraw/zinc/98/73/60/562987360.db2.gz QBYCDJBPTGCDLX-DYTRJAOYSA-N -1 0 498.579 5.984 1 0 JKAFRM CCCC[C@@H](CC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742334 562987363 /nfs/dbraw/zinc/98/73/63/562987363.db2.gz UOMNJQJQSLNKKQ-IVEWOJHHSA-N -1 0 476.617 7.068 1 0 JKAFRM CC[C@@H](c1ccccc1)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742356 562987367 /nfs/dbraw/zinc/98/73/67/562987367.db2.gz KRSGJOBVWQKUTJ-MCKWJCLXSA-N -1 0 496.607 6.926 1 0 JKAFRM CC(C)Oc1cc2c(cc1Cl)CCc1c(-c3ccc(C(=O)[O-])cc3)cn(Cc3cccnc3)c1-2 ZINC000013742711 562987571 /nfs/dbraw/zinc/98/75/71/562987571.db2.gz LBTWSZMGLRSHAE-UHFFFAOYSA-N -1 0 472.972 6.503 1 0 JKAFRM Cc1cc2c(cc1OC(C)C)-c1c(c(-c3ccc(C(=O)[O-])cc3)cn1Cc1cccnc1)CC2 ZINC000013742710 562987584 /nfs/dbraw/zinc/98/75/84/562987584.db2.gz IFWAOVIGNXOBAK-UHFFFAOYSA-N -1 0 452.554 6.158 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2ccccc2)c1-3 ZINC000013742694 562987589 /nfs/dbraw/zinc/98/75/89/562987589.db2.gz JPLPCMDYYQKBEI-UHFFFAOYSA-N -1 0 489.659 8.016 1 0 JKAFRM CCCCc1ncc(/C=C2\C(=O)N(CCCC)C(=O)N2CCCC)n1Cc1ccc(C(=O)[O-])cc1 ZINC000013743399 562987728 /nfs/dbraw/zinc/98/77/28/562987728.db2.gz XYGCGZJECLFCKR-HAVVHWLPSA-N -1 0 480.609 5.178 1 0 JKAFRM O=C([O-])c1ccc2cc(-c3ccc(OC[C@H](O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000013745059 562987898 /nfs/dbraw/zinc/98/78/98/562987898.db2.gz HCGLZXMFTPFYBB-FKDBDESZSA-N -1 0 472.581 5.405 1 0 JKAFRM Cc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013744985 562987957 /nfs/dbraw/zinc/98/79/57/562987957.db2.gz WMWRKGRHVTXXNA-RUZDIDTESA-N -1 0 493.625 5.656 1 0 JKAFRM CC(C)c1ccc(C(C)C)c(NC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c1 ZINC000013747437 562988338 /nfs/dbraw/zinc/98/83/38/562988338.db2.gz JSUAAVDPGJAXGT-UHFFFAOYSA-N -1 0 460.640 6.626 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Sc1c(C(C)C)cccc1C(C)C ZINC000013747532 562988459 /nfs/dbraw/zinc/98/84/59/562988459.db2.gz ZOEKXZPLGBTIPV-UHFFFAOYSA-N -1 0 477.692 7.306 1 0 JKAFRM CCC[C@H](C(=O)[O-])[C@@H](c1ccccc1)c1ccc(Cn2c(CC)nc3c2nc(C)cc3C)cc1 ZINC000013756207 562988636 /nfs/dbraw/zinc/98/86/36/562988636.db2.gz CWSUXCKXSVUDKX-AHWVRZQESA-N -1 0 455.602 6.292 1 0 JKAFRM CCCS(=O)(=O)Nc1cccc([C@H](c2c([O-])cc([C@H](CC)Cc3ccccc3)oc2=O)C2CC2)c1 ZINC000013756573 562988707 /nfs/dbraw/zinc/98/87/07/562988707.db2.gz GTGPHAUFYVHIIY-FQRUVTKNSA-N -1 0 495.641 5.775 1 0 JKAFRM CC/C(=C\c1cn(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c12)C(=O)[O-] ZINC000013758688 562988996 /nfs/dbraw/zinc/98/89/96/562988996.db2.gz UBQBRAOPKUFHEV-NCELDCMTSA-N -1 0 496.607 5.799 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cn1cc(/C=C/C(=O)[O-])c2c1cccc2OCc1ccccc1 ZINC000013758654 562989013 /nfs/dbraw/zinc/98/90/13/562989013.db2.gz BJIMMNXYKBLIIP-FOCLMDBBSA-N -1 0 468.553 5.019 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(/C=C/C(=O)[O-])cc2c(OCc3ccccc3)cccc12 ZINC000013758696 562989017 /nfs/dbraw/zinc/98/90/17/562989017.db2.gz UAWFJOWDWMHFOB-FOCLMDBBSA-N -1 0 479.576 5.760 1 0 JKAFRM CCCC[C@@H](C[C@@H](CCc1cccc(-c2ccccc2)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000013761382 562989922 /nfs/dbraw/zinc/98/99/22/562989922.db2.gz VYRNNIARONKBRB-UODIDJSMSA-N -1 0 494.676 5.460 1 0 JKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C\CCCC(=O)[O-])[C@H]2NC(=O)c1ccc2oc3ccccc3c2c1 ZINC000013766011 562990603 /nfs/dbraw/zinc/99/06/03/562990603.db2.gz CVLLFECJXVDQEK-LGNCZSJASA-N -1 0 459.586 6.568 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000013782237 562992439 /nfs/dbraw/zinc/99/24/39/562992439.db2.gz LJWVXKXONHTZHU-MHZLTWQESA-N -1 0 451.522 5.604 1 0 JKAFRM CCN(CC)C(=O)/C=C(\C)c1ccc(OCc2c(Cl)cccc2Cl)c(OCC(=O)[O-])c1 ZINC000013782704 562992674 /nfs/dbraw/zinc/99/26/74/562992674.db2.gz MORSQPQPFGVZOK-RVDMUPIBSA-N -1 0 466.361 5.308 1 0 JKAFRM Cc1ccc(CCCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000013799575 562993722 /nfs/dbraw/zinc/99/37/22/562993722.db2.gz OCZIRSIFHBBDKN-NDEPHWFRSA-N -1 0 496.607 5.827 1 0 JKAFRM Cc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000013799572 562993800 /nfs/dbraw/zinc/99/38/00/562993800.db2.gz VJGDGBUWSOZGFC-HHHXNRCGSA-N -1 0 482.580 5.437 1 0 JKAFRM COc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000013799596 562993827 /nfs/dbraw/zinc/99/38/27/562993827.db2.gz NPLNAUBFRRXHRY-MHZLTWQESA-N -1 0 498.579 5.137 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)c(C)c(C)c(C)c2C)c1Cl ZINC000013801654 562994091 /nfs/dbraw/zinc/99/40/91/562994091.db2.gz WDHKGQDDYWCVTP-UHFFFAOYSA-N -1 0 468.000 5.293 1 0 JKAFRM O=C([O-])c1ccc2c(ccn2Cc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)c1 ZINC000013804754 562994937 /nfs/dbraw/zinc/99/49/37/562994937.db2.gz AKADGVHSWDPGHJ-UHFFFAOYSA-N -1 0 458.517 6.668 1 0 JKAFRM C[C@H](C(=O)NCCCCC(=O)[O-])c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804876 562995043 /nfs/dbraw/zinc/99/50/43/562995043.db2.gz RXEFJFKKBMEKRK-IBGZPJMESA-N -1 0 456.542 5.442 1 0 JKAFRM O=C([O-])/C=C/C(=O)Nc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)ccc1O ZINC000013806781 562995249 /nfs/dbraw/zinc/99/52/49/562995249.db2.gz XBZZWTLKWFGIOI-WUKNDPDISA-N -1 0 489.527 6.643 1 0 JKAFRM O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1[nH]c(=O)c2ccccc2c1[O-] ZINC000013817110 562996612 /nfs/dbraw/zinc/99/66/12/562996612.db2.gz KUJKDBMUVLYLKC-UHFFFAOYSA-N -1 0 456.376 5.177 1 0 JKAFRM O=c1cc(-c2nnn[n-]2)oc2cc(/C=C/c3cccc(OCc4ccc5ccccc5n4)c3)ccc12 ZINC000013821952 562997852 /nfs/dbraw/zinc/99/78/52/562997852.db2.gz DOGGWZWJFJBGGX-CMDGGOBGSA-N -1 0 473.492 5.271 1 0 JKAFRM COc1ccc2c(ccc(OCc3ccccc3)c2C(=S)N(C)CC(=O)[O-])c1C(F)(F)F ZINC000013823536 562998032 /nfs/dbraw/zinc/99/80/32/562998032.db2.gz UEORANVCYHXABG-UHFFFAOYSA-N -1 0 463.477 5.138 1 0 JKAFRM CC(C)c1cc(-c2ccccc2)cc(CC2CCCCC2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013824725 562998227 /nfs/dbraw/zinc/99/82/27/562998227.db2.gz KPUVGZRDNIMEGL-RPBOFIJWSA-N -1 0 454.607 5.565 1 0 JKAFRM CCCCc1nnc(Sc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825619 562998452 /nfs/dbraw/zinc/99/84/52/562998452.db2.gz IUHAWPDGDYHBMD-UHFFFAOYSA-N -1 0 486.597 5.771 1 0 JKAFRM CCCCc1nc2ccc(C)c(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828075 562998897 /nfs/dbraw/zinc/99/88/97/562998897.db2.gz ASTUBQXUYGZCJD-UHFFFAOYSA-N -1 0 466.545 5.281 1 0 JKAFRM CCCc1nc(-n2cccc2)c(C=C(C)C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832380 562999752 /nfs/dbraw/zinc/99/97/52/562999752.db2.gz HDZJQEFIAGDEDS-HTXNQAPBSA-N -1 0 493.571 5.010 1 0 JKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(C)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000013832965 563000085 /nfs/dbraw/zinc/00/00/85/563000085.db2.gz DWSJJOKWNQYIFI-SFHVURJKSA-N -1 0 486.637 6.509 1 0 JKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(C)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000013832964 563000180 /nfs/dbraw/zinc/00/01/80/563000180.db2.gz DWSJJOKWNQYIFI-GOSISDBHSA-N -1 0 486.637 6.509 1 0 JKAFRM CCCCC1=NC2(Cc3ccccc3C2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833571 563000588 /nfs/dbraw/zinc/00/05/88/563000588.db2.gz YIXCSIBUXLSBBA-UHFFFAOYSA-N -1 0 452.554 5.520 1 0 JKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@@H](C/C=C/c1ccccc1)CCC2 ZINC000013834021 563000756 /nfs/dbraw/zinc/00/07/56/563000756.db2.gz QZJVEPQVGOLRDL-NHLGSSCJSA-N -1 0 490.575 5.135 1 0 JKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@@H](CCCc1ccccc1)CCC2 ZINC000013834019 563000764 /nfs/dbraw/zinc/00/07/64/563000764.db2.gz FAHQKCBPYZOYKG-DBLZUOOISA-N -1 0 492.591 5.054 1 0 JKAFRM CC(C)OC(=O)[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834138 563000766 /nfs/dbraw/zinc/00/07/66/563000766.db2.gz NVADPHYDEMJBBB-XMMPIXPASA-N -1 0 485.536 5.750 1 0 JKAFRM O=C([O-])COc1cccc(C[C@H](c2ccsc2)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834164 563000835 /nfs/dbraw/zinc/00/08/35/563000835.db2.gz YBGWXSZDRKFTCS-RUZDIDTESA-N -1 0 481.573 6.908 1 0 JKAFRM O=C([O-])COc1cccc(C[C@H](c2cccs2)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834162 563000858 /nfs/dbraw/zinc/00/08/58/563000858.db2.gz SKOLMDUCQCNBGG-XMMPIXPASA-N -1 0 481.573 6.908 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H](c2ccsc2)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834163 563000875 /nfs/dbraw/zinc/00/08/75/563000875.db2.gz YBGWXSZDRKFTCS-VWLOTQADSA-N -1 0 481.573 6.908 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H](CCCCO)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834172 563000907 /nfs/dbraw/zinc/00/09/07/563000907.db2.gz LRCXCDGUULGDHO-XMMPIXPASA-N -1 0 471.553 5.961 1 0 JKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)[O-])N(C(=O)[C@@H](c1ccccc1)C1CCCC1)C2 ZINC000013904221 563004453 /nfs/dbraw/zinc/00/44/53/563004453.db2.gz ITHVMZQOZVQHHY-XCZPVHLTSA-N -1 0 499.607 5.586 1 0 JKAFRM CN(CCOc1ccc(C[C@H](CCCc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000013906331 563004465 /nfs/dbraw/zinc/00/44/65/563004465.db2.gz YZJWHPTXUMAQHW-QHCPKHFHSA-N -1 0 458.558 5.609 1 0 JKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000013915807 563004645 /nfs/dbraw/zinc/00/46/45/563004645.db2.gz LCFWOFKPFDWYLR-LWPQGVMLSA-N -1 0 488.753 8.598 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC000013919463 563004688 /nfs/dbraw/zinc/00/46/88/563004688.db2.gz GKORLDUEXWMZDW-ZYSHUDEJSA-N -1 0 492.468 6.695 1 0 JKAFRM Cc1cc2c(cc1[C@@H](OCc1ccccc1F)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013979955 563005123 /nfs/dbraw/zinc/00/51/23/563005123.db2.gz UCAUDVYVWVKLSE-MHZLTWQESA-N -1 0 460.589 7.488 1 0 JKAFRM O=C([O-])c1c(-c2ccccc2)c2cc(Nc3ccc(-c4ccccc4)cc3)ccc2n1Cc1ccccc1 ZINC000013980950 563005242 /nfs/dbraw/zinc/00/52/42/563005242.db2.gz RVLHRKFAWQBUJX-UHFFFAOYSA-N -1 0 494.594 8.465 1 0 JKAFRM CO[C@]1(Cc2ccoc2)C=C(CC/C=C(\C)CCC[C@@H](C)C=C2OC(=O)C(C)=C2[O-])C(=O)O1 ZINC000014691208 563006296 /nfs/dbraw/zinc/00/62/96/563006296.db2.gz QPEBUMYCMUCNNQ-JRUAKOMASA-N -1 0 456.535 5.454 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3ccncc3)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963515 563008657 /nfs/dbraw/zinc/00/86/57/563008657.db2.gz QBDMXAGNKJYGKD-OAQYLSRUSA-N -1 0 466.324 5.029 1 0 JKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000014974423 563010208 /nfs/dbraw/zinc/01/02/08/563010208.db2.gz RZNCBRKGQQQKBQ-FGZHOGPDSA-N -1 0 472.497 5.410 1 0 JKAFRM COc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])c(OC)c2)n1 ZINC000014977197 563010540 /nfs/dbraw/zinc/01/05/40/563010540.db2.gz YUWKOSPDHRFEEF-KRWDZBQOSA-N -1 0 469.559 5.180 1 0 JKAFRM COc1cc(-c2nc(C)c(C(C)=O)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977174 563010549 /nfs/dbraw/zinc/01/05/49/563010549.db2.gz IILOBIPXSQDFDA-IBGZPJMESA-N -1 0 495.597 5.682 1 0 JKAFRM COc1cc(-c2nc(C)c(C)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977140 563010551 /nfs/dbraw/zinc/01/05/51/563010551.db2.gz ZBFIQWUEGZKBFS-IBGZPJMESA-N -1 0 467.587 5.788 1 0 JKAFRM C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)OC1)COS(=O)(=O)[O-] ZINC000015266799 563011421 /nfs/dbraw/zinc/01/14/21/563011421.db2.gz NFFYCHHMRWODEA-UVYNTUDKSA-N -1 0 468.656 5.655 1 0 JKAFRM CC(C)(C)[C@@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253629 563013966 /nfs/dbraw/zinc/01/39/66/563013966.db2.gz IKTVSAXCEBKIPT-WSMQKFGJSA-N -1 0 470.569 5.699 1 0 JKAFRM CC/C(=C\c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)n1oc(=O)[n-]c1=O ZINC000025970669 563020666 /nfs/dbraw/zinc/02/06/66/563020666.db2.gz HLVXNMFKRNLXPU-WOJGMQOQSA-N -1 0 487.434 5.099 1 0 JKAFRM Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4C(=O)[O-])cn(C4CC4)c3c2F)cc(C)n1 ZINC000025973036 563020677 /nfs/dbraw/zinc/02/06/77/563020677.db2.gz ZHBVOKOOJAEEHW-UHFFFAOYSA-N -1 0 460.480 5.582 1 0 JKAFRM S=C([N-]c1ccc(Cl)cc1Cl)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000025978731 563020838 /nfs/dbraw/zinc/02/08/38/563020838.db2.gz QPVZQYVVFFACKF-KRWDZBQOSA-N -1 0 461.201 6.652 1 0 JKAFRM CCCOc1ccc2c(c1)c(-c1ccc3c(c1)OCO3)c(C(=O)[O-])n2Cc1ccc2c(c1)OCO2 ZINC000026005428 563021514 /nfs/dbraw/zinc/02/15/14/563021514.db2.gz LQWGCVIETCFLOP-UHFFFAOYSA-N -1 0 473.481 5.301 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@@H](Cc1nc(C(c3ccccc3)c3ccccc3)co1)C2 ZINC000026018381 563021868 /nfs/dbraw/zinc/02/18/68/563021868.db2.gz IHHPZGHMTWHVSE-HXUWFJFHSA-N -1 0 453.538 5.666 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cc1coc(C(c3ccccc3)c3ccccc3)n1)C2 ZINC000026022065 563021928 /nfs/dbraw/zinc/02/19/28/563021928.db2.gz WXTXXFHRZCNXIW-FQEVSTJZSA-N -1 0 453.538 5.666 1 0 JKAFRM O=C([O-])c1c2ccc(Cl)cc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026168235 563023149 /nfs/dbraw/zinc/02/31/49/563023149.db2.gz BPQVUAYRJOBEFG-UHFFFAOYSA-N -1 0 483.915 6.103 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@@H]1[C@H](c2cccnc2)OC[C@H]1OCc1ccc(-c2ccccc2)cc1 ZINC000026169904 563023294 /nfs/dbraw/zinc/02/32/94/563023294.db2.gz NMJYFIAGWNELHF-ILQWBHDJSA-N -1 0 457.570 6.223 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CO[C@H]1c1cccnc1 ZINC000026177211 563023556 /nfs/dbraw/zinc/02/35/56/563023556.db2.gz NMJYFIAGWNELHF-VQRPZSEWSA-N -1 0 457.570 6.223 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 ZINC000026174664 563023595 /nfs/dbraw/zinc/02/35/95/563023595.db2.gz SHRNOBNPOTZEAM-SJKZHLFISA-N -1 0 473.638 6.939 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)C[S@](=O)[C@@H]1c1cccnc1 ZINC000026177404 563023679 /nfs/dbraw/zinc/02/36/79/563023679.db2.gz UCHZGYCIIFATFO-DJJQERRFSA-N -1 0 489.637 5.955 1 0 JKAFRM C[C@H](c1ccc(F)cc1)c1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCC(=O)[O-])c1 ZINC000026178059 563023697 /nfs/dbraw/zinc/02/36/97/563023697.db2.gz CYLOKPKEVQTTCD-QGZVFWFLSA-N -1 0 489.996 5.169 1 0 JKAFRM CN(CCOc1ccc(C[C@@H](C/C=C/c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000026185578 563024062 /nfs/dbraw/zinc/02/40/62/563024062.db2.gz HIOGKGJVAZVWCL-BWAMLYQTSA-N -1 0 456.542 5.690 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3ccc4nsnc4c3)c(=O)c2C(=O)[O-])cc1 ZINC000026274125 563025176 /nfs/dbraw/zinc/02/51/76/563025176.db2.gz WKNBOESFXYFZBY-UHFFFAOYSA-N -1 0 483.505 5.175 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@H](C(=O)[O-])C(F)(F)F)cc1 ZINC000026290153 563025690 /nfs/dbraw/zinc/02/56/90/563025690.db2.gz WQXIWIURPCRFHM-DHIUTWEWSA-N -1 0 481.518 6.054 1 0 JKAFRM O=C(c1ccccc1)c1ccc2c(c1)/C(=C/c1cc(Br)c([O-])c(Br)c1)C(=O)N2 ZINC000026379672 563026644 /nfs/dbraw/zinc/02/66/44/563026644.db2.gz GOJCVHIFXUCJRM-PXNMLYILSA-N -1 0 499.158 5.641 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(OCCn2ccc3ccccc32)cc1)CC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000026487778 563028380 /nfs/dbraw/zinc/02/83/80/563028380.db2.gz LFSNHEITDWVKJN-WECRISLISA-N -1 0 472.585 5.227 1 0 JKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])c(Br)c3)c2c1 ZINC000026492592 563028551 /nfs/dbraw/zinc/02/85/51/563028551.db2.gz DRDXENCSCKMRSJ-KRWDZBQOSA-N -1 0 471.395 6.305 1 0 JKAFRM O=C([O-])/C(=C\c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)CC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000026492869 563028569 /nfs/dbraw/zinc/02/85/69/563028569.db2.gz VPDWIMNZNVABSC-PXJROPEASA-N -1 0 487.518 5.791 1 0 JKAFRM C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026569649 563029972 /nfs/dbraw/zinc/02/99/72/563029972.db2.gz AGTBTNXOCJJBBH-NFQMXDRXSA-N -1 0 497.616 5.510 1 0 JKAFRM COc1ccc2sc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4[O-])cc3)nc2c1 ZINC000026572744 563030163 /nfs/dbraw/zinc/03/01/63/563030163.db2.gz FJMDEMVTLRXHTK-UHFFFAOYSA-N -1 0 477.394 6.721 1 0 JKAFRM COc1cccc(OC)c1-c1ccc(C[C@H](CC(=O)[O-])NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000026575969 563030526 /nfs/dbraw/zinc/03/05/26/563030526.db2.gz IRBBMKUIRCTMHW-QGZVFWFLSA-N -1 0 488.367 5.493 1 0 JKAFRM C/C(=C\C(=O)N(C)c1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@@H](C)c2ccccc2)c1 ZINC000026724748 563033972 /nfs/dbraw/zinc/03/39/72/563033972.db2.gz RXVQBOALWQNEDW-KLIPWGEBSA-N -1 0 496.607 6.561 1 0 JKAFRM Cc1cc(C)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c([C@H](c2ccc(F)cc2)C2CCCCC2)c1 ZINC000026743743 563034880 /nfs/dbraw/zinc/03/48/80/563034880.db2.gz GVKPCBGAXFCUON-PLXFJCCSSA-N -1 0 458.570 5.120 1 0 JKAFRM C[C@H](C1=C([O-])[C@@](CCc2ccccc2)(C(=O)NCc2ccc(C(C)(C)C)cc2)OC1=O)c1ccccc1 ZINC000026840151 563036813 /nfs/dbraw/zinc/03/68/13/563036813.db2.gz PCMRLOMMAYYDQP-ICACTRECSA-N -1 0 497.635 6.145 1 0 JKAFRM O=S(=O)(/C=C/c1ccc2ccccc2c1)[N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026851114 563037322 /nfs/dbraw/zinc/03/73/22/563037322.db2.gz OGXBIMFCHYUAFQ-ISLYRVAYSA-N -1 0 468.603 7.043 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc3ccccc3c2)nc1-c1ccc2ccccc2c1 ZINC000026935814 563037442 /nfs/dbraw/zinc/03/74/42/563037442.db2.gz NCSNHTNJHDHKNP-WUKNDPDISA-N -1 0 484.646 7.482 1 0 JKAFRM CC(CCC(=O)[O-])(c1ccc(OCc2ccccn2)cc1)c1ccc(OCc2ccccn2)cc1 ZINC000026997128 563038809 /nfs/dbraw/zinc/03/88/09/563038809.db2.gz XSKZCHVHFQOXKA-UHFFFAOYSA-N -1 0 468.553 5.805 1 0 JKAFRM O=c1c2cc(Cl)ccc2[n-]c2c1C(=O)[C@H](c1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000027089998 563039437 /nfs/dbraw/zinc/03/94/37/563039437.db2.gz OGMXGQZPPDMRDP-OPAMFIHVSA-N -1 0 468.767 6.795 1 0 JKAFRM O=c1c2cc(Cl)ccc2[n-]c2c1C(=O)[C@H](c1ccccc1)[C@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000027090012 563039489 /nfs/dbraw/zinc/03/94/89/563039489.db2.gz OGMXGQZPPDMRDP-KSFYIVLOSA-N -1 0 468.767 6.795 1 0 JKAFRM O=c1c2cc(Cl)ccc2[n-]c2c1C(=O)[C@@H](c1ccccc1)[C@H](c1ccc(Cl)c(Cl)c1)C2 ZINC000027090005 563039519 /nfs/dbraw/zinc/03/95/19/563039519.db2.gz OGMXGQZPPDMRDP-AOMKIAJQSA-N -1 0 468.767 6.795 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cn1cc(/C=C/C(=O)[O-])c2ccc(OCc3ccccc3)cc21 ZINC000027201218 563041395 /nfs/dbraw/zinc/04/13/95/563041395.db2.gz OVZREWHYLVGKFC-NTCAYCPXSA-N -1 0 468.553 5.019 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cn1cc(/C=C/C(=O)[O-])c2cccc(OCc3ccccc3)c21 ZINC000027202538 563041552 /nfs/dbraw/zinc/04/15/52/563041552.db2.gz XLFQSFDIRREURF-FOCLMDBBSA-N -1 0 468.553 5.019 1 0 JKAFRM CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000027213990 563042178 /nfs/dbraw/zinc/04/21/78/563042178.db2.gz GSPDGRKHFWVXCQ-LJQANCHMSA-N -1 0 459.414 5.166 1 0 JKAFRM CCOC(=O)/C(=C\c1cccc(OCC(=O)[O-])c1OC)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000027299254 563042348 /nfs/dbraw/zinc/04/23/48/563042348.db2.gz YTSYCBQHHKEYTB-XLNRJJMWSA-N -1 0 499.519 5.584 1 0 JKAFRM CC(C)(C)c1cc2c(cc1O)CC[C@@](C)(CCOc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027426268 563043971 /nfs/dbraw/zinc/04/39/71/563043971.db2.gz PJMZZASXTKZGFG-NVQXNPDNSA-N -1 0 469.603 5.137 1 0 JKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@](COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)(CC(C)C)O2 ZINC000027426523 563043977 /nfs/dbraw/zinc/04/39/77/563043977.db2.gz HIKRPVCYHOKTNQ-WXVAWEFUSA-N -1 0 483.630 5.400 1 0 JKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@@](COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)(CC(C)C)O2 ZINC000027426526 563043988 /nfs/dbraw/zinc/04/39/88/563043988.db2.gz HIKRPVCYHOKTNQ-CUNXSJBXSA-N -1 0 483.630 5.400 1 0 JKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccccc3)cc2CC)ccc2c1O[C@@H](C(=O)[O-])CC2 ZINC000027519038 563044723 /nfs/dbraw/zinc/04/47/23/563044723.db2.gz MDRDHTAZJISAOQ-HHHXNRCGSA-N -1 0 490.596 6.200 1 0 JKAFRM CCCCC1=NC(Cl)=C(C(=O)OCC)[C@@H](C)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027527150 563045718 /nfs/dbraw/zinc/04/57/18/563045718.db2.gz VGOOFHONWNYJKR-QGZVFWFLSA-N -1 0 468.981 5.858 1 0 JKAFRM O=C([O-])COc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc43)cc2)cc1 ZINC000027549524 563045975 /nfs/dbraw/zinc/04/59/75/563045975.db2.gz MMGZUWKSAQVPFO-UHFFFAOYSA-N -1 0 450.559 7.290 1 0 JKAFRM CCCCC1=N[C@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1 ZINC000027551952 563046101 /nfs/dbraw/zinc/04/61/01/563046101.db2.gz TZEDXVFFGYQASX-GDLZYMKVSA-N -1 0 486.616 6.379 1 0 JKAFRM CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)s[n-]2)cc1 ZINC000027561258 563046893 /nfs/dbraw/zinc/04/68/93/563046893.db2.gz YQKOSZKQNWLUOB-UHFFFAOYSA-N -1 0 498.608 6.105 1 0 JKAFRM COc1ccc(-c2sc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)cc1 ZINC000027634328 563047692 /nfs/dbraw/zinc/04/76/92/563047692.db2.gz RGKGLDUORXLGSC-PKGLBKFNSA-N -1 0 484.589 5.953 1 0 JKAFRM COc1ccc(C(=O)C[C@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)c(OC)c1OC ZINC000027636863 563047789 /nfs/dbraw/zinc/04/77/89/563047789.db2.gz CWIUQXFKZFCCTL-IBGZPJMESA-N -1 0 496.943 5.694 1 0 JKAFRM COc1ccc(C(=O)C[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)cc1OC ZINC000027642181 563048124 /nfs/dbraw/zinc/04/81/24/563048124.db2.gz RBLNVOFLDUHEPH-HXUWFJFHSA-N -1 0 466.917 5.685 1 0 JKAFRM Cc1ccc(-c2sc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)cc1 ZINC000027644009 563048218 /nfs/dbraw/zinc/04/82/18/563048218.db2.gz MVSMTXJIJKVMLF-ITWZMISCSA-N -1 0 468.590 6.253 1 0 JKAFRM CC(C)c1sc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027643800 563048236 /nfs/dbraw/zinc/04/82/36/563048236.db2.gz RMSXTVRZGZXJKJ-LKWCPCFXSA-N -1 0 489.008 6.598 1 0 JKAFRM O=C([O-])CCCCCCCCCCCNC(=O)Cc1cn(CCOc2ccccc2)c2ccccc12 ZINC000027652632 563048805 /nfs/dbraw/zinc/04/88/05/563048805.db2.gz LLAOTHKPWYETBJ-UHFFFAOYSA-N -1 0 492.660 6.365 1 0 JKAFRM CCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCCC(C)(C)C)OC(=O)CCCCC ZINC000027653600 563048942 /nfs/dbraw/zinc/04/89/42/563048942.db2.gz VMSFLPRRWKRTHB-GOSISDBHSA-N -1 0 452.525 5.172 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3ccccc3OC)c(=O)c2C(=O)[O-])cc1 ZINC000027705806 563049534 /nfs/dbraw/zinc/04/95/34/563049534.db2.gz BBQVZZLPYFHCQZ-UHFFFAOYSA-N -1 0 455.466 5.178 1 0 JKAFRM CCOP(=O)(OCC)[C@@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)S(=O)(=O)[O-] ZINC000027730067 563050693 /nfs/dbraw/zinc/05/06/93/563050693.db2.gz MNVFSDAHMAWSHC-XYBQJXBBSA-N -1 0 464.605 7.056 1 0 JKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@H](C)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027751426 563051243 /nfs/dbraw/zinc/05/12/43/563051243.db2.gz STLMIGJZAOXUKB-OZWPHOJSSA-N -1 0 455.620 6.382 1 0 JKAFRM CC(C)(Oc1ccc(Br)cc1)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027755507 563051309 /nfs/dbraw/zinc/05/13/09/563051309.db2.gz HCFZUTSDEMKXQB-LPYYDSJASA-N -1 0 490.394 5.543 1 0 in-vitro JKAFRM C[C@H]1S[C@@H](c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000027761556 563051485 /nfs/dbraw/zinc/05/14/85/563051485.db2.gz OKDODUJITAVGGA-KAZGAHJFSA-N -1 0 489.637 6.435 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000027882651 563052759 /nfs/dbraw/zinc/05/27/59/563052759.db2.gz PBZXICQVHVBHEO-UHFFFAOYSA-N -1 0 461.514 5.006 1 0 JKAFRM Cc1cc(C(=O)[O-])c2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000027895703 563053033 /nfs/dbraw/zinc/05/30/33/563053033.db2.gz AVHKQNUHCQKCAI-VWLOTQADSA-N -1 0 457.570 6.603 1 0 JKAFRM CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000027997172 563054210 /nfs/dbraw/zinc/05/42/10/563054210.db2.gz DEQLWAQQTORLIY-FNSFTNLCSA-N -1 0 472.710 6.204 1 0 JKAFRM CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000027997167 563054220 /nfs/dbraw/zinc/05/42/20/563054220.db2.gz DEQLWAQQTORLIY-LGIAODJHSA-N -1 0 472.710 6.204 1 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC(C(F)(F)F)=C4C=C(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028017045 563055043 /nfs/dbraw/zinc/05/50/43/563055043.db2.gz LSPYBPBRMHHSMT-HLUTZTHTSA-N -1 0 495.626 6.764 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)NCCCC(=O)[O-])c(Cl)c1Cl ZINC000028094353 563055773 /nfs/dbraw/zinc/05/57/73/563055773.db2.gz OHELAVHWEMILBF-DLBZAZTESA-N -1 0 466.430 6.353 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC000028093169 563055792 /nfs/dbraw/zinc/05/57/92/563055792.db2.gz MEMSOGHDJLMQDL-OALUTQOASA-N -1 0 492.468 6.695 1 0 JKAFRM O=C([O-])C[C@H]1CCCc2c3cc(F)ccc3n(Cc3cccc(OCCCCc4cccnc4)c3)c21 ZINC000028109146 563056412 /nfs/dbraw/zinc/05/64/12/563056412.db2.gz MIIIWVNAZRSKJI-HSZRJFAPSA-N -1 0 486.587 6.520 1 0 JKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCC5(CC5)CC4)cc3Cl)cc2O1 ZINC000028116577 563056610 /nfs/dbraw/zinc/05/66/10/563056610.db2.gz AOWBYHGZFBMURE-GDLZYMKVSA-N -1 0 499.047 7.184 1 0 JKAFRM CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2CCCc1ccccc1 ZINC000028131542 563057298 /nfs/dbraw/zinc/05/72/98/563057298.db2.gz BSDGVWPNRBNWIE-UHFFFAOYSA-N -1 0 465.703 7.941 1 0 JKAFRM CC1(C)CCC(c2ccc(OCCCOc3ccc4c(c3)O[C@@](C)(C(=O)[O-])CC4)c(Cl)c2)CC1 ZINC000028133768 563057505 /nfs/dbraw/zinc/05/75/05/563057505.db2.gz IHLBRRGBRGXQCC-MUUNZHRXSA-N -1 0 487.036 7.040 1 0 JKAFRM CCCCc1nn(C2CCC2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028250251 563058968 /nfs/dbraw/zinc/05/89/68/563058968.db2.gz UXKUZXLEHSECAB-UHFFFAOYSA-N -1 0 456.550 5.087 1 0 JKAFRM Cc1cccc([C@@H](O)/C=C/c2ccccc2/C=C/C(=O)[O-])c1OCc1c(Cl)cccc1Cl ZINC000028333602 563059827 /nfs/dbraw/zinc/05/98/27/563059827.db2.gz ZUTBBKRPWXCWAZ-JHUFQFJFSA-N -1 0 469.364 6.725 1 0 JKAFRM COc1ccccc1Oc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CCCCC2)cc1 ZINC000028336085 563059893 /nfs/dbraw/zinc/05/98/93/563059893.db2.gz UJSQIGKIZQJVPI-UHFFFAOYSA-N -1 0 452.532 5.622 1 0 JKAFRM O=C([O-])CCn1c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2c2c1CCCC2 ZINC000028335894 563059910 /nfs/dbraw/zinc/05/99/10/563059910.db2.gz GJOGHJHXXVCJAK-UHFFFAOYSA-N -1 0 474.582 5.463 1 0 JKAFRM COc1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@H]3C(=O)[O-])c2)cc1C(F)(F)F ZINC000028341277 563060471 /nfs/dbraw/zinc/06/04/71/563060471.db2.gz VHDWIPLMGLQQHO-SFHVURJKSA-N -1 0 474.504 5.981 1 0 JKAFRM CCc1ccc2c(c1)C(=O)N([C@H](C(=O)[O-])c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(=O)N2 ZINC000028342388 563060501 /nfs/dbraw/zinc/06/05/01/563060501.db2.gz YIEASSPQFWICET-VXKWHMMOSA-N -1 0 483.351 5.517 1 0 JKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C2CCCCC2)s1 ZINC000028357802 563061532 /nfs/dbraw/zinc/06/15/32/563061532.db2.gz KBEQYCCGQMFBBF-UHFFFAOYSA-N -1 0 456.951 6.267 1 0 JKAFRM CC(C)c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000028362227 563061879 /nfs/dbraw/zinc/06/18/79/563061879.db2.gz NRLBNECCSXRCMS-CXYUPCIPSA-N -1 0 455.501 5.281 1 0 in-vitro JKAFRM Cc1cc2c(cccc2CC(=O)[O-])n1C(=O)c1ccc(OC[C@@H]2CCc3ccccc3O2)cc1 ZINC000028388212 563063392 /nfs/dbraw/zinc/06/33/92/563063392.db2.gz GWYIZWZVKYKMGF-QHCPKHFHSA-N -1 0 455.510 5.038 1 0 JKAFRM COc1cccc([C@@H](CC(=O)[O-])n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028471901 563065502 /nfs/dbraw/zinc/06/55/02/563065502.db2.gz ISFSENBRVGRPMH-AREMUKBSSA-N -1 0 471.557 5.089 1 0 JKAFRM O=C([O-])C[C@H](c1cccc2ccccc21)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474811 563065799 /nfs/dbraw/zinc/06/57/99/563065799.db2.gz FPNJXNHCYRVYBH-GDLZYMKVSA-N -1 0 491.591 6.233 1 0 JKAFRM O=C([O-])C[C@@H](c1ccc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474610 563065824 /nfs/dbraw/zinc/06/58/24/563065824.db2.gz XRPKOLQKHDETDG-LJAQVGFWSA-N -1 0 491.591 6.233 1 0 JKAFRM O=C([O-])C[C@H](c1ccc2ccccc2c1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474612 563065831 /nfs/dbraw/zinc/06/58/31/563065831.db2.gz XRPKOLQKHDETDG-GDLZYMKVSA-N -1 0 491.591 6.233 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1cccc(F)c1 ZINC000028475821 563065929 /nfs/dbraw/zinc/06/59/29/563065929.db2.gz LRAUMLMIFJKEDF-UNOMPAQXSA-N -1 0 456.267 5.236 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)CCC1CCCCC1 ZINC000028520549 563066233 /nfs/dbraw/zinc/06/62/33/563066233.db2.gz XNVWISKLIIVBQH-PGMHBOJBSA-N -1 0 472.379 6.144 1 0 JKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000028520617 563066235 /nfs/dbraw/zinc/06/62/35/563066235.db2.gz MEFWZNVUKPGNET-UUYOSTAYSA-N -1 0 496.401 6.000 1 0 JKAFRM O=C([O-])c1ccc(C(=O)Nc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1 ZINC000028523388 563066758 /nfs/dbraw/zinc/06/67/58/563066758.db2.gz ZUCYDHPXZUXKOA-UHFFFAOYSA-N -1 0 454.482 5.190 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4cccc(Br)c4)cc3)nc2c1 ZINC000028524240 563067178 /nfs/dbraw/zinc/06/71/78/563067178.db2.gz FJDWLMBFDYYEAF-YRNVUSSQSA-N -1 0 477.314 5.536 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Br)c4)cc3)nc2c1 ZINC000028524887 563067285 /nfs/dbraw/zinc/06/72/85/563067285.db2.gz STBCOJUODLJTPX-VZUCSPMQSA-N -1 0 477.314 5.536 1 0 JKAFRM COc1cccc(/C=C/C(=O)Nc2ccc(-c3nc4cc(CC(=O)[O-])ccc4o3)c(Cl)c2)c1 ZINC000028525598 563067678 /nfs/dbraw/zinc/06/76/78/563067678.db2.gz AIMXJXCYGDQLLD-UXBLZVDNSA-N -1 0 462.889 5.436 1 0 JKAFRM COc1ccc2c(c1)c(Oc1cccc(C(F)(F)F)c1)c(C(=O)[O-])n2-c1ccc(C(C)(C)C)cc1 ZINC000028527478 563068176 /nfs/dbraw/zinc/06/81/76/563068176.db2.gz ZCOIULDIACLZDQ-UHFFFAOYSA-N -1 0 483.486 7.446 1 0 JKAFRM CC(C)(C)c1ccc(-n2c3ccc(O)cc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528909 563068351 /nfs/dbraw/zinc/06/83/51/563068351.db2.gz SXZMFGXNDCTAOG-UHFFFAOYSA-N -1 0 469.459 7.143 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3-c3ccccc3)ccc21 ZINC000028563326 563068968 /nfs/dbraw/zinc/06/89/68/563068968.db2.gz QZUUHGLXJRUESM-AOYPEHQESA-N -1 0 467.565 6.771 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCc3ccc(-c4nc(-c5ccccc5)oc4C)cc3)ccc21 ZINC000028563145 563068973 /nfs/dbraw/zinc/06/89/73/563068973.db2.gz OFFKMILAGQAMMX-VPUSJEBWSA-N -1 0 467.565 7.037 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCc3ccc(-c4nc(-c5ccccc5)oc4C)cc3)ccc21 ZINC000028563146 563068992 /nfs/dbraw/zinc/06/89/92/563068992.db2.gz OFFKMILAGQAMMX-AHKZPQOWSA-N -1 0 467.565 7.037 1 0 JKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(/C=C/c3cc4ccccc4o3)cc2)cc1)C(=O)[O-] ZINC000028563701 563069046 /nfs/dbraw/zinc/06/90/46/563069046.db2.gz NNCMZAJUJIFSSX-OYGPHJITSA-N -1 0 475.566 5.658 1 0 JKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cc4ccccc4o3)cc2)cc1)C(=O)[O-] ZINC000028563564 563069053 /nfs/dbraw/zinc/06/90/53/563069053.db2.gz GGDIRYKGQAHGGN-RUZDIDTESA-N -1 0 479.554 5.066 1 0 JKAFRM O=C1OC(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C([O-])=C1c1cc(Cl)cc(Cl)c1 ZINC000028565736 563069449 /nfs/dbraw/zinc/06/94/49/563069449.db2.gz OOFCDTLXMRUUQC-SDPNRITHSA-N -1 0 478.158 7.834 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)ccc21 ZINC000028565670 563069490 /nfs/dbraw/zinc/06/94/90/563069490.db2.gz LVCWAOJIQPHHLA-RBBKRZOGSA-N -1 0 473.491 6.431 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@H](CCCc1ccccc1)C(=O)[O-] ZINC000028566143 563069572 /nfs/dbraw/zinc/06/95/72/563069572.db2.gz NOFKKQONAUJXIN-WDYNHAJCSA-N -1 0 495.619 7.025 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cccc5ccccc54)oc3C)ccc21 ZINC000028566012 563069573 /nfs/dbraw/zinc/06/95/73/563069573.db2.gz RLGDPPYJQMPBGX-RCZVLFRGSA-N -1 0 455.554 6.565 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@@H](CCCc1ccccc1)C(=O)[O-] ZINC000028566139 563069580 /nfs/dbraw/zinc/06/95/80/563069580.db2.gz NOFKKQONAUJXIN-FQLXRVMXSA-N -1 0 495.619 7.025 1 0 JKAFRM O=C1OC(=Cc2cc(C(F)(F)F)ccc2Cl)C([O-])=C1c1ccc(-c2ccccc2)c(F)c1 ZINC000028566062 563069586 /nfs/dbraw/zinc/06/95/86/563069586.db2.gz FGVSKOVKDDIIRG-NDENLUEZSA-N -1 0 460.810 7.032 1 0 JKAFRM CCCCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4[C@@H](CC)C(=O)[O-])c(C)o2)cc1 ZINC000028566278 563069654 /nfs/dbraw/zinc/06/96/54/563069654.db2.gz YHBVPHGRCOVIMF-RSXGOPAZSA-N -1 0 461.602 6.755 1 0 JKAFRM CCCCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4[C@H](CC)C(=O)[O-])c(C)o2)cc1 ZINC000028566281 563069655 /nfs/dbraw/zinc/06/96/55/563069655.db2.gz YHBVPHGRCOVIMF-AHWVRZQESA-N -1 0 461.602 6.755 1 0 JKAFRM O=C(Nc1cccc(C(F)(F)F)c1)C(=C1OC(=O)C(c2ccccc2)=C1[O-])c1ccccc1 ZINC000028566514 563069783 /nfs/dbraw/zinc/06/97/83/563069783.db2.gz IOCUZDFEPRWBAL-LSDHQDQOSA-N -1 0 451.400 5.581 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccccc3)cc21 ZINC000028567757 563069866 /nfs/dbraw/zinc/06/98/66/563069866.db2.gz ZHORMDGNABWUQX-JWQCQUIFSA-N -1 0 481.592 7.079 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)OC1CCCC1 ZINC000028568945 563070193 /nfs/dbraw/zinc/07/01/93/563070193.db2.gz DQKATBNRDCPTAT-MUUNZHRXSA-N -1 0 460.570 6.156 1 0 JKAFRM CC(C)C(=O)Nc1onc(-c2ccccc2)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569308 563070372 /nfs/dbraw/zinc/07/03/72/563070372.db2.gz HQGPIDJZILURJN-UHFFFAOYSA-N -1 0 472.385 5.915 1 0 JKAFRM Cc1onc(NC(=O)Nc2ccccc2)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569375 563070393 /nfs/dbraw/zinc/07/03/93/563070393.db2.gz OXZKFISRFHINKS-UHFFFAOYSA-N -1 0 459.346 5.606 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccc(OCCCCOc2ccc(-c3ccccc3)cc2)cc1)OC1CCCC1 ZINC000028569604 563070457 /nfs/dbraw/zinc/07/04/57/563070457.db2.gz JSOQLYMUSNTOFH-GDLZYMKVSA-N -1 0 474.597 6.547 1 0 JKAFRM CC(C)(C)c1ccc(-c2ccc(-c3nc4cc(C=C5SC(=S)NC5=O)ccc4[nH]3)o2)cc1 ZINC000028571262 563070981 /nfs/dbraw/zinc/07/09/81/563070981.db2.gz RULUEWXZJXTVGY-BKUYFWCQSA-N -1 0 459.596 7.117 1 0 JKAFRM CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028571180 563071011 /nfs/dbraw/zinc/07/10/11/563071011.db2.gz RLVYPMNNCPDSSP-UHFFFAOYSA-N -1 0 474.912 6.361 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C1CCC1 ZINC000028571392 563071102 /nfs/dbraw/zinc/07/11/02/563071102.db2.gz GNUXGVDZLWXMPV-RUZDIDTESA-N -1 0 498.978 7.163 1 0 JKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCCOc3ccccc3)cc1)n2C1CCCCC1 ZINC000028572550 563071363 /nfs/dbraw/zinc/07/13/63/563071363.db2.gz QGLCWGASTZDFMD-UHFFFAOYSA-N -1 0 456.542 6.365 1 0 JKAFRM CC[C@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028572469 563071380 /nfs/dbraw/zinc/07/13/80/563071380.db2.gz YPMAPCXWXFAWIZ-LJQANCHMSA-N -1 0 472.940 6.773 1 0 JKAFRM CC(C)(C)c1ccc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCC3)cc2)cc1 ZINC000028572815 563071434 /nfs/dbraw/zinc/07/14/34/563071434.db2.gz RLHXICZHLJYXDT-UHFFFAOYSA-N -1 0 468.597 7.393 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3)C(=O)[O-] ZINC000028604546 563071628 /nfs/dbraw/zinc/07/16/28/563071628.db2.gz KGELVXQPIUKGCO-QUNLVXSKSA-N -1 0 456.711 7.544 1 0 JKAFRM CCCCOc1ccc(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000028652253 563073976 /nfs/dbraw/zinc/07/39/76/563073976.db2.gz PGMNREGYAOBCRN-QGZVFWFLSA-N -1 0 451.485 5.468 1 0 JKAFRM CCCCOc1ccc(C[C@H](CCC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028652336 563074060 /nfs/dbraw/zinc/07/40/60/563074060.db2.gz YFOSSOSPJLEQRP-KRWDZBQOSA-N -1 0 483.502 5.997 1 0 JKAFRM CCCOc1ccc(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028652279 563074085 /nfs/dbraw/zinc/07/40/85/563074085.db2.gz UGUQWKRCJKSPSZ-HNNXBMFYSA-N -1 0 455.448 5.217 1 0 JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000028654652 563074228 /nfs/dbraw/zinc/07/42/28/563074228.db2.gz PLNOCPRTFZIBRT-IMJHYJGBSA-N -1 0 452.679 7.528 1 0 JKAFRM CCCCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704643 563075248 /nfs/dbraw/zinc/07/52/48/563075248.db2.gz FNYUGOLRFARJMP-LJQANCHMSA-N -1 0 472.525 5.834 1 0 JKAFRM CCCO[C@@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704637 563075254 /nfs/dbraw/zinc/07/52/54/563075254.db2.gz ZQTZPLBOYPGOAS-SFHVURJKSA-N -1 0 458.498 5.444 1 0 JKAFRM Cc1cccc(CCN(C)C(=O)Cc2ccc(OCCCCOc3ccc(CC(=O)[O-])cc3)cc2)c1 ZINC000028712396 563076968 /nfs/dbraw/zinc/07/69/68/563076968.db2.gz FBUXDOXMHRXSGM-UHFFFAOYSA-N -1 0 489.612 5.104 1 0 JKAFRM Cc1cc(C[C@H]2SC(=O)[N-]C2=O)cc(C)c1N(Cc1ccccc1)c1ccc(O)c(C(C)C)c1 ZINC000028713849 563077437 /nfs/dbraw/zinc/07/74/37/563077437.db2.gz HFKKNMDJGSLMEQ-RUZDIDTESA-N -1 0 474.626 6.365 1 0 JKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000028761743 563078303 /nfs/dbraw/zinc/07/83/03/563078303.db2.gz CKSYWTIJQHSZLD-UHFFFAOYSA-N -1 0 455.942 5.024 1 0 JKAFRM COc1cccc(Sc2c3cc4c(cc3n(Cc3ccc5c(c3)OCO5)c2C(=O)[O-])OCO4)c1 ZINC000028769459 563079059 /nfs/dbraw/zinc/07/90/59/563079059.db2.gz XBXUZKKIOMHQDF-UHFFFAOYSA-N -1 0 477.494 5.005 1 0 JKAFRM O=C([O-])c1cc(Cl)ccc1CCc1ccc(S(=O)(=O)N2CCc3cc(Cl)ccc32)cc1 ZINC000028819172 563080373 /nfs/dbraw/zinc/08/03/73/563080373.db2.gz NZPFGFUMVMCPMA-UHFFFAOYSA-N -1 0 476.381 5.228 1 0 JKAFRM O=C([O-])c1cccc(C2=C(c3cc(Br)ccc3OCc3ccc(F)cc3F)CCC2)c1 ZINC000028819251 563080423 /nfs/dbraw/zinc/08/04/23/563080423.db2.gz CIDNAJYJXLHGAR-UHFFFAOYSA-N -1 0 485.324 7.099 1 0 JKAFRM O=C([O-])c1ccnc(C2=C(c3cc(Br)ccc3OCc3ccc(F)cc3)CCC2)c1 ZINC000028819281 563080425 /nfs/dbraw/zinc/08/04/25/563080425.db2.gz IOLOVQBSCAXCKD-UHFFFAOYSA-N -1 0 468.322 6.355 1 0 JKAFRM CCO[C@H](Cc1ccc(CC[C@@H](OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028821989 563080863 /nfs/dbraw/zinc/08/08/63/563080863.db2.gz ANDWFMXOLLQHHC-KAYWLYCHSA-N -1 0 491.653 5.527 1 0 JKAFRM CCO[C@H](Cc1ccc(CC[C@H](OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028821984 563080888 /nfs/dbraw/zinc/08/08/88/563080888.db2.gz SEKXQBPSFURDHT-IZZNHLLZSA-N -1 0 477.626 5.484 1 0 JKAFRM COC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)[O-])N(C(=O)c2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 ZINC000028822179 563080932 /nfs/dbraw/zinc/08/09/32/563080932.db2.gz MSPMWWYMGNEKDZ-CECAUBDESA-N -1 0 483.508 5.013 1 0 JKAFRM CCO[C@@H](Cc1ccc(CC[C@@H](OC(=O)NCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028822028 563080943 /nfs/dbraw/zinc/08/09/43/563080943.db2.gz LLUHFZCVLVLENB-FTJBHMTQSA-N -1 0 461.558 5.319 1 0 JKAFRM CCO[C@@H](Cc1ccc(CC[C@@H](OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028821994 563080969 /nfs/dbraw/zinc/08/09/69/563080969.db2.gz ANDWFMXOLLQHHC-SXOMAYOGSA-N -1 0 491.653 5.527 1 0 JKAFRM O=C([O-])/C(Br)=C\c1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCO3)cc1 ZINC000028825698 563082248 /nfs/dbraw/zinc/08/22/48/563082248.db2.gz PQQUXBLXGLRYES-GZIVZEMBSA-N -1 0 481.386 6.371 1 0 JKAFRM C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000028878921 563084632 /nfs/dbraw/zinc/08/46/32/563084632.db2.gz VNXORHLPJPZNDE-ZITBMAGASA-N -1 0 478.427 5.502 1 0 JKAFRM Cc1cnc(-c2cccc(Cl)c2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028891564 563085170 /nfs/dbraw/zinc/08/51/70/563085170.db2.gz TUWNDYSPVJIUPH-IBGZPJMESA-N -1 0 465.981 5.515 1 0 JKAFRM CCc1ccc(-c2nc(C)cc(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)cc1 ZINC000028891622 563085211 /nfs/dbraw/zinc/08/52/11/563085211.db2.gz VWFWVFILCXWTPJ-QHCPKHFHSA-N -1 0 459.590 5.424 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccc(F)cc3o2)c1)C(=O)[O-] ZINC000028900678 563085993 /nfs/dbraw/zinc/08/59/93/563085993.db2.gz APAKBHWQTPHETC-DEOSSOPVSA-N -1 0 478.520 5.685 1 0 JKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(O)ccc3o2)c1)C(=O)[O-] ZINC000028900747 563086021 /nfs/dbraw/zinc/08/60/21/563086021.db2.gz JBQAOPUCDXXIEI-DEOSSOPVSA-N -1 0 476.529 5.251 1 0 JKAFRM CC(C)(Oc1cccc(CCN(CCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900602 563086025 /nfs/dbraw/zinc/08/60/25/563086025.db2.gz SCYOVPVNCHEKBS-UHFFFAOYSA-N -1 0 460.530 5.198 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3c(cccc3O)o2)c1)C(=O)[O-] ZINC000028900726 563086045 /nfs/dbraw/zinc/08/60/45/563086045.db2.gz QCHORGPKCWHJRI-HSZRJFAPSA-N -1 0 476.529 5.251 1 0 JKAFRM C[C@H](OC(=O)Nc1ccccc1-c1ccc(CSCCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903560 563086500 /nfs/dbraw/zinc/08/65/00/563086500.db2.gz AVXXLUPPYOJIOV-KRWDZBQOSA-N -1 0 469.990 7.025 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C(\C)C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952165 563087399 /nfs/dbraw/zinc/08/73/99/563087399.db2.gz ZNWMKEZRKRAMJI-OQLLNIDSSA-N -1 0 461.480 6.083 1 0 JKAFRM Cc1cc2c(cc1-c1cc([C@H]3C[C@H]3C(=O)[O-])ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952284 563087483 /nfs/dbraw/zinc/08/74/83/563087483.db2.gz NFXPYYBQFZMOPD-IEBWSBKVSA-N -1 0 475.507 6.171 1 0 JKAFRM Cc1cc2c(cc1-c1cc(/C=C/C(=O)[O-])ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952496 563087534 /nfs/dbraw/zinc/08/75/34/563087534.db2.gz HDVBOPASUNTROJ-VQHVLOKHSA-N -1 0 461.480 6.081 1 0 JKAFRM COc1ccc([C@@H](Cc2cc(-c3ccc(Cl)cc3)n(-c3ccc(OC)cc3)n2)C(=O)[O-])cc1 ZINC000028962574 563089124 /nfs/dbraw/zinc/08/91/24/563089124.db2.gz VJWUMCCXGOSOHG-XMMPIXPASA-N -1 0 462.933 5.621 1 0 JKAFRM O=C([O-])C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000028962389 563089133 /nfs/dbraw/zinc/08/91/33/563089133.db2.gz OYJMTUNQMZHGHW-GDLZYMKVSA-N -1 0 484.527 5.462 1 0 JKAFRM COc1ccc(/C(=C/c2cc(-c3ccc(Cl)c(Cl)c3)n(-c3ccc(OC)cc3)n2)C(=O)[O-])cc1 ZINC000028963366 563089227 /nfs/dbraw/zinc/08/92/27/563089227.db2.gz XLMZSJUUJQJSTH-HMAPJEAMSA-N -1 0 495.362 6.489 1 0 JKAFRM CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971911 563089674 /nfs/dbraw/zinc/08/96/74/563089674.db2.gz PCUNZQFECZBOOY-INIZCTEOSA-N -1 0 468.497 5.172 1 0 JKAFRM CCN(C(=O)N(C)c1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971952 563089682 /nfs/dbraw/zinc/08/96/82/563089682.db2.gz ONJFGRBKPNRQCO-SFHVURJKSA-N -1 0 496.551 5.586 1 0 JKAFRM CCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972061 563089774 /nfs/dbraw/zinc/08/97/74/563089774.db2.gz IRZVMWFMJNYYLC-HSZRJFAPSA-N -1 0 483.678 5.899 1 0 JKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1C)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972153 563089779 /nfs/dbraw/zinc/08/97/79/563089779.db2.gz AUOVXHGBDNWWAF-QGZVFWFLSA-N -1 0 496.551 5.870 1 0 JKAFRM CCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972066 563089791 /nfs/dbraw/zinc/08/97/91/563089791.db2.gz IRZVMWFMJNYYLC-QHCPKHFHSA-N -1 0 483.678 5.899 1 0 JKAFRM C[C@@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@H](CCCc1ccoc1)COS(=O)(=O)[O-] ZINC000028973339 563089851 /nfs/dbraw/zinc/08/98/51/563089851.db2.gz OYRXLPLXKXDHJP-BVVSVSJTSA-N -1 0 452.657 6.617 1 0 JKAFRM O=C(NCc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028978929 563090366 /nfs/dbraw/zinc/09/03/66/563090366.db2.gz JWKLSUCWQLUDME-UHFFFAOYSA-N -1 0 468.884 5.199 1 0 JKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccccc3CCC(=O)[O-])c2)c1)S(C)(=O)=O ZINC000029037774 563090633 /nfs/dbraw/zinc/09/06/33/563090633.db2.gz RLBJNLXTZOWJKN-UHFFFAOYSA-N -1 0 473.594 5.866 1 0 JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(=O)[O-])CCC(C)(C)C[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000029042310 563091853 /nfs/dbraw/zinc/09/18/53/563091853.db2.gz UROPGAQBZGIPQC-VUHMTIHWSA-N -1 0 498.748 7.804 1 0 in-vitro JKAFRM CS(=O)(=O)c1cc(F)cc2c1c(-c1cccc(-c3ccccc3)c1)c1n2CC[C@H]1CC(=O)[O-] ZINC000029052962 563093197 /nfs/dbraw/zinc/09/31/97/563093197.db2.gz LDWKANHIBSQLIM-IBGZPJMESA-N -1 0 463.530 5.480 1 0 JKAFRM CS[C@@H](C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000029054053 563093394 /nfs/dbraw/zinc/09/33/94/563093394.db2.gz CQWJBYHLQGBKRX-STQMWFEESA-N -1 0 450.000 6.971 1 0 JKAFRM CS[C@H](C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000029054067 563093417 /nfs/dbraw/zinc/09/34/17/563093417.db2.gz CQWJBYHLQGBKRX-CHWSQXEVSA-N -1 0 450.000 6.971 1 0 JKAFRM C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000029135971 563098128 /nfs/dbraw/zinc/09/81/28/563098128.db2.gz JREONYNGJLEEDW-HRNQFXIGSA-N -1 0 481.743 5.702 1 0 JKAFRM O=C([O-])[C@H](CCCCNc1cc(Cl)cc2ncccc21)Nc1ccnc2cc(Cl)ccc21 ZINC000029212969 563098568 /nfs/dbraw/zinc/09/85/68/563098568.db2.gz AMWOGRMZRABSSF-FQEVSTJZSA-N -1 0 469.372 6.237 1 0 JKAFRM Cc1cc(C(=O)c2ccc(Br)cc2)cc(C(=O)Nc2ccc(Cl)cc2Cl)c1[O-] ZINC000029237745 563099249 /nfs/dbraw/zinc/09/92/49/563099249.db2.gz LIOQPQREIHOCLG-UHFFFAOYSA-N -1 0 479.157 6.253 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1COc1ccc(CCCCC[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029314635 563099941 /nfs/dbraw/zinc/09/99/41/563099941.db2.gz ZKERZHHCRKBGAM-JOCHJYFZSA-N -1 0 450.560 5.684 1 0 JKAFRM COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[P@@](=O)([O-])OC1CCCCC1 ZINC000029316670 563099979 /nfs/dbraw/zinc/09/99/79/563099979.db2.gz VJSBGTIBRMCDPE-KHPPLWFESA-N -1 0 478.478 5.720 1 0 JKAFRM Cc1oc(-c2ccc3ccccc3c2)nc1Cc1cc2cc(C[C@@H]3OC(=O)[N-]C3=O)ccc2o1 ZINC000029329220 563100605 /nfs/dbraw/zinc/10/06/05/563100605.db2.gz RATZYFKFPHSDEW-DEOSSOPVSA-N -1 0 452.466 5.318 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC000029339710 563100932 /nfs/dbraw/zinc/10/09/32/563100932.db2.gz YCAYONQECCIPEC-HHHXNRCGSA-N -1 0 465.553 6.098 1 0 JKAFRM C/C(=C\C(=O)[O-])c1cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OCCCF)s1 ZINC000029338326 563100936 /nfs/dbraw/zinc/10/09/36/563100936.db2.gz MFAMOXYOFZHOGZ-NBVRZTHBSA-N -1 0 482.661 8.390 1 0 JKAFRM CCCc1cc(SCCCOc2ccc(C(C)=O)c(O)c2CCC)ccc1C(=O)CCC(=O)[O-] ZINC000029347011 563101325 /nfs/dbraw/zinc/10/13/25/563101325.db2.gz CVFOGASALAQMMJ-UHFFFAOYSA-N -1 0 486.630 6.109 1 0 JKAFRM COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4ccccc4C(=O)[O-])CC[C@H]3C2(C)C)cc1 ZINC000029391919 563101802 /nfs/dbraw/zinc/10/18/02/563101802.db2.gz YAPCNPXZLLLMRV-HRYCJUHNSA-N -1 0 450.619 6.764 1 0 JKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)c1cccc(-c2ccccc2Cl)c1 ZINC000029402813 563102550 /nfs/dbraw/zinc/10/25/50/563102550.db2.gz OEHMXTMWNITFGU-HGSJELCMSA-N -1 0 455.982 5.623 1 0 JKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000029402662 563102579 /nfs/dbraw/zinc/10/25/79/563102579.db2.gz HMLXINXDKPDSCN-LEWIYUGNSA-N -1 0 455.982 5.623 1 0 JKAFRM CC(=O)O[C@H]1CC/C(C)=C\CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])C1 ZINC000029407274 563103008 /nfs/dbraw/zinc/10/30/08/563103008.db2.gz YISUXIPPQVNPNR-HDQBXNIYSA-N -1 0 496.732 8.342 1 0 JKAFRM CC(C)N(C(=O)c1cc(Br)c(-c2ccc(C(=O)[O-])cc2)c(Br)c1)C(C)C ZINC000029410403 563103164 /nfs/dbraw/zinc/10/31/64/563103164.db2.gz BVMROYXEGKNOFB-UHFFFAOYSA-N -1 0 483.200 5.836 1 0 JKAFRM O=C1C[C@@H](c2nnn[n-]2)Oc2cc(/C=C/c3cccc(OCc4ccc5ccccc5n4)c3)ccc21 ZINC000029410171 563103202 /nfs/dbraw/zinc/10/32/02/563103202.db2.gz GFVXVMKTTLRFSJ-FLXGOCGUSA-N -1 0 475.508 5.204 1 0 JKAFRM CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)[O-])c-2cc1 ZINC000029411559 563103268 /nfs/dbraw/zinc/10/32/68/563103268.db2.gz ABHOFRFILDBZIQ-UHFFFAOYSA-N -1 0 459.995 6.031 1 0 JKAFRM CCCCC1=N[C@](CC)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029412414 563103377 /nfs/dbraw/zinc/10/33/77/563103377.db2.gz BBSMJWBAZLIZEK-GDLZYMKVSA-N -1 0 460.618 6.712 1 0 JKAFRM CCCCC1=N[C@@](C)(C[C@@H](C)CC(C)C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029413229 563103478 /nfs/dbraw/zinc/10/34/78/563103478.db2.gz SZNQOMKIVJWSOF-LGGPFLRQSA-N -1 0 462.634 6.814 1 0 JKAFRM CCCCCC[C@H](Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000029467610 563104281 /nfs/dbraw/zinc/10/42/81/563104281.db2.gz FDGCMJHVTHCAQP-SANMLTNESA-N -1 0 482.598 5.901 1 0 aggregator JKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)[C@@H](c3ccccc3)C3CCCC3)cc21 ZINC000029478135 563105093 /nfs/dbraw/zinc/10/50/93/563105093.db2.gz GRFDCAMVRAEYJN-NDEPHWFRSA-N -1 0 482.580 6.309 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 ZINC000029479261 563105094 /nfs/dbraw/zinc/10/50/94/563105094.db2.gz KRWRPFRXNOCVDK-UHFFFAOYSA-N -1 0 490.559 6.167 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000029479284 563105098 /nfs/dbraw/zinc/10/50/98/563105098.db2.gz BWOHJQFCGPVVRY-UHFFFAOYSA-N -1 0 483.446 6.059 1 0 JKAFRM O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000029483102 563105428 /nfs/dbraw/zinc/10/54/28/563105428.db2.gz WLOWKLBIAKJWLU-UHFFFAOYSA-N -1 0 450.903 5.758 1 0 JKAFRM COc1cccc(Sc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)noc2CCCCO)c1 ZINC000029489410 563105774 /nfs/dbraw/zinc/10/57/74/563105774.db2.gz RNSWGFNUSUASAC-UHFFFAOYSA-N -1 0 490.647 5.248 1 0 JKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCC(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)s1 ZINC000029547742 563106033 /nfs/dbraw/zinc/10/60/33/563106033.db2.gz OMEORGGCISNXKW-GOSISDBHSA-N -1 0 494.516 5.440 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@@]3(C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000029551298 563106304 /nfs/dbraw/zinc/10/63/04/563106304.db2.gz QLTFHGMEDZMMTF-ABXPCILESA-N -1 0 452.679 7.362 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000029553201 563106456 /nfs/dbraw/zinc/10/64/56/563106456.db2.gz GMYJAKLQPZGTFL-YNMBBTLGSA-N -1 0 470.694 6.701 1 0 JKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=C2[C@H]1C)C=C[C@H]1[C@@]3(C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000031853460 563108678 /nfs/dbraw/zinc/10/86/78/563108678.db2.gz PXDYNDUVPVYMRV-AEMUSHSHSA-N -1 0 454.695 7.010 1 0 JKAFRM C/C(=C/CC[C@@H](C)C1=C2[C@H](C)C[C@H]3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]2(C)CC1)C(=O)[O-] ZINC000032303211 563109676 /nfs/dbraw/zinc/10/96/76/563109676.db2.gz KNYVORLBUHFUJF-MZOBKSHTSA-N -1 0 454.695 7.320 1 0 JKAFRM COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)[O-])cn2[C@H](CO)C1CCCCC1 ZINC000033818083 563110883 /nfs/dbraw/zinc/11/08/83/563110883.db2.gz YCXPLDJNCNAIOP-JOCHJYFZSA-N -1 0 487.955 5.205 1 0 JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000034171955 563112356 /nfs/dbraw/zinc/11/23/56/563112356.db2.gz IAWGZKRQDHPFCZ-FPFKMVNQSA-N -1 0 498.748 7.804 1 0 JKAFRM CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)C[C@@H](O)[C@](C)(C(=O)[O-])[C@@H]1CC3=O ZINC000034176765 563112436 /nfs/dbraw/zinc/11/24/36/563112436.db2.gz AKQVSWCZIQYIJI-BUXWHTIESA-N -1 0 486.693 5.694 1 0 JKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCCCCCc3ccccc3)cc1)n2C1CCCCC1 ZINC000034312746 563113155 /nfs/dbraw/zinc/11/31/55/563113155.db2.gz YQLJAWBBIRPKKZ-UHFFFAOYSA-N -1 0 482.624 7.699 1 0 JKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(Oc3ccccc3-c3ccccc3)cc1)n2C1CCCCC1 ZINC000034358800 563113343 /nfs/dbraw/zinc/11/33/43/563113343.db2.gz XWBMOABRLCSNSB-UHFFFAOYSA-N -1 0 488.587 8.366 1 0 JKAFRM Cc1c(Cl)cccc1-c1cccc(COc2ccc([C@H](CC(=O)[O-])c3nccn3C)cc2)c1 ZINC000034603245 563114049 /nfs/dbraw/zinc/11/40/49/563114049.db2.gz SYXROUZZJQMEDP-DEOSSOPVSA-N -1 0 460.961 6.235 1 0 JKAFRM CCC(CC)(c1ccc(CC[C@@H](O)C(C)(C)C)c(C)c1)c1ccc(OCCCCC(=O)[O-])c(C)c1 ZINC000034662928 563114524 /nfs/dbraw/zinc/11/45/24/563114524.db2.gz IJEVKYYNUGBQHL-MUUNZHRXSA-N -1 0 482.705 7.383 1 0 JKAFRM CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC(C)C)oc2C)c1)C(=O)[O-] ZINC000034717671 563114704 /nfs/dbraw/zinc/11/47/04/563114704.db2.gz JLVNHOJWHCMXNK-RUZDIDTESA-N -1 0 462.546 5.472 1 0 JKAFRM CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC(C)C)oc2C)c1)C(=O)[O-] ZINC000034717670 563114711 /nfs/dbraw/zinc/11/47/11/563114711.db2.gz JLVNHOJWHCMXNK-VWLOTQADSA-N -1 0 462.546 5.472 1 0 JKAFRM CCc1ccc(O[C@@H](C)CCOc2ccc(OC(C)(C)C(=O)[O-])cc2)c(C(=O)c2ccccc2)c1 ZINC000034717705 563114792 /nfs/dbraw/zinc/11/47/92/563114792.db2.gz ILHLGCBMPLPUEJ-FQEVSTJZSA-N -1 0 476.569 5.958 1 0 JKAFRM CCO[C@@H](Cc1ccc2c(c1)c(C)cn2Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(=O)[O-] ZINC000034717695 563114793 /nfs/dbraw/zinc/11/47/93/563114793.db2.gz KWGGIRZLUSNBCK-QHCPKHFHSA-N -1 0 486.490 6.012 1 0 JKAFRM CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1O[C@H](CC)C(=O)[O-] ZINC000034751161 563114987 /nfs/dbraw/zinc/11/49/87/563114987.db2.gz DKTWJFBNXZNLCC-JOCHJYFZSA-N -1 0 458.551 5.200 1 0 JKAFRM C[C@@](CCN1Cc2ccccc2C1)(C(=O)[O-])S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000034801850 563115769 /nfs/dbraw/zinc/11/57/69/563115769.db2.gz VBMFIGJMAPMVAU-RUZDIDTESA-N -1 0 469.990 5.030 1 0 JKAFRM O=C(Nc1ccc(Cl)cc1)c1c([O-])n(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)c1=O ZINC000035017479 563118351 /nfs/dbraw/zinc/11/83/51/563118351.db2.gz SHYXQVKBLLFEMJ-UHFFFAOYSA-N -1 0 474.731 5.546 1 0 JKAFRM O=C(c1ccc(Br)cc1[N-]S(=O)(=O)c1cccc2ccccc21)N1CCCCC1 ZINC000035065162 563118717 /nfs/dbraw/zinc/11/87/17/563118717.db2.gz QCOBZGUHJVJRTI-UHFFFAOYSA-N -1 0 473.392 5.029 1 0 JKAFRM CCCc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3ccc([C@H](C)C(=O)[O-])cc32)cc1 ZINC000035079470 563118897 /nfs/dbraw/zinc/11/88/97/563118897.db2.gz SZOUDTOEFMROHW-HNNXBMFYSA-N -1 0 455.963 5.826 1 0 JKAFRM CCC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000035090745 563119093 /nfs/dbraw/zinc/11/90/93/563119093.db2.gz FDQMNXJVXXRHAQ-GFCCVEGCSA-N -1 0 484.877 5.127 1 0 JKAFRM O=C([O-])c1c2ccc3c(c2nc(Cc2ccc(Cl)cc2)c1OCc1ccccc1)CCCC3 ZINC000035087089 563119138 /nfs/dbraw/zinc/11/91/38/563119138.db2.gz QXZQACKNQKMNGX-UHFFFAOYSA-N -1 0 457.957 6.635 1 0 JKAFRM CO[P@](=O)([O-])[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035259323 563119642 /nfs/dbraw/zinc/11/96/42/563119642.db2.gz UKRQPOMXBLTMFV-MRXNPFEDSA-N -1 0 474.060 5.753 1 0 JKAFRM O=C([O-])Cc1sc([C@@H](c2ccccc2)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000035879967 563120985 /nfs/dbraw/zinc/12/09/85/563120985.db2.gz RSXKKNQRSFGEQT-QFIPXVFZSA-N -1 0 454.378 6.924 1 0 JKAFRM C[C@@H]1CC[C@]2(C)CC[C@]3(C(=O)[O-])C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000036088385 563121924 /nfs/dbraw/zinc/12/19/24/563121924.db2.gz RXVRYAUOTRSYDU-HQHAFYOCSA-N -1 0 456.711 7.090 1 0 in-vivo JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@H]2CC[C@@H](O)Cc2cccc(-c3ccccc3)c2)cc1 ZINC000036160051 563122972 /nfs/dbraw/zinc/12/29/72/563122972.db2.gz FBSYWZQEXIMEQD-VSGBNLITSA-N -1 0 471.597 5.359 1 0 JKAFRM CCOc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@@H](C(=O)[O-])c1ccccc1 ZINC000036175893 563123193 /nfs/dbraw/zinc/12/31/93/563123193.db2.gz RDJVLRSIEZYPNB-RUZDIDTESA-N -1 0 459.546 5.262 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1cc(Cl)c(O[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000036175963 563123223 /nfs/dbraw/zinc/12/32/23/563123223.db2.gz XGJGGEIDHKFIRB-QFIPXVFZSA-N -1 0 484.383 6.170 1 0 JKAFRM CCCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@H](C(=O)[O-])c1ccccc1 ZINC000036176014 563123233 /nfs/dbraw/zinc/12/32/33/563123233.db2.gz OHWWHDYWWNVNEK-MHZLTWQESA-N -1 0 471.601 6.206 1 0 JKAFRM CCCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3c(=O)n(C)c2C(=O)[O-])cc1 ZINC000036222533 563124627 /nfs/dbraw/zinc/12/46/27/563124627.db2.gz YUDQFUUZTCMUCN-UHFFFAOYSA-N -1 0 494.595 5.656 1 0 JKAFRM CC(C)(C)c1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c3cccnc3)O2)cc1 ZINC000036242537 563124912 /nfs/dbraw/zinc/12/49/12/563124912.db2.gz OAJFPHGBJOCPCZ-ZBGRJXSSSA-N -1 0 467.606 6.078 1 0 JKAFRM O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000036380461 563127634 /nfs/dbraw/zinc/12/76/34/563127634.db2.gz JMXVMCGWUVFXIZ-ODLFYWEKSA-N -1 0 473.337 5.719 1 0 JKAFRM O=C([O-])C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000036387308 563129145 /nfs/dbraw/zinc/12/91/45/563129145.db2.gz JDLINDGDCNOYQB-GOTSBHOMSA-N -1 0 488.392 5.881 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036387326 563129150 /nfs/dbraw/zinc/12/91/50/563129150.db2.gz GCPPZMDNVJEGBJ-UNMCSNQZSA-N -1 0 474.003 5.598 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3F)C(C(=O)[O-])=CC[C@H]2c2cccc(C)c2)cc1 ZINC000036387317 563129170 /nfs/dbraw/zinc/12/91/70/563129170.db2.gz SSTMHUKONMRZBC-DQEYMECFSA-N -1 0 465.546 5.331 3 0 JKAFRM CCc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387310 563129171 /nfs/dbraw/zinc/12/91/71/563129171.db2.gz XYQJQMIREABVSW-UIOOFZCWSA-N -1 0 479.573 5.585 3 0 JKAFRM COc1cccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036387359 563129254 /nfs/dbraw/zinc/12/92/54/563129254.db2.gz BKXUADXCBNIJFD-DQEYMECFSA-N -1 0 498.000 5.545 3 0 JKAFRM CCO[C@@H]1C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]12 ZINC000036446892 563130247 /nfs/dbraw/zinc/13/02/47/563130247.db2.gz KZKWPSFPAWXVEN-GQENXVRPSA-N -1 0 498.748 7.457 1 0 JKAFRM Cc1onc(-c2ccc(CC(=O)[O-])cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl ZINC000037866928 563131137 /nfs/dbraw/zinc/13/11/37/563131137.db2.gz ZNAQLMKOHTYVPZ-UHFFFAOYSA-N -1 0 483.735 5.046 1 0 JKAFRM O=C([O-])COc1cccc(C[C@@H]2CCCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000038147850 563131896 /nfs/dbraw/zinc/13/18/96/563131896.db2.gz OLFPZLNUGARNGY-AHWVRZQESA-N -1 0 467.565 6.989 1 0 JKAFRM CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1)C(=O)[O-] ZINC000038269742 563133688 /nfs/dbraw/zinc/13/36/88/563133688.db2.gz IXSYNFAIGCTLCG-QFIPXVFZSA-N -1 0 463.534 5.685 1 0 JKAFRM Nc1nc(-c2ccc3c(c2)/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N3)cs1 ZINC000038357938 563133948 /nfs/dbraw/zinc/13/39/48/563133948.db2.gz KQALMYPOYXGJBX-QDEBKDIKSA-N -1 0 493.180 5.116 1 0 JKAFRM CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000038431921 563134455 /nfs/dbraw/zinc/13/44/55/563134455.db2.gz ANSZFKJHEBXZMZ-LLVKDONJSA-N -1 0 485.414 5.250 1 0 JKAFRM CO[C@@H]1C=C(CCC[C@H](CC[C@]2(C)C3=CCCC(C)(C)[C@H]3CC[C@@H]2C)COS(=O)(=O)[O-])C(=O)O1 ZINC000038432888 563134480 /nfs/dbraw/zinc/13/44/80/563134480.db2.gz UZYGEULXQQDPRZ-YXGANFQASA-N -1 0 498.682 5.627 1 0 JKAFRM C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)[O-] ZINC000038473671 563134786 /nfs/dbraw/zinc/13/47/86/563134786.db2.gz BOODRZWPUUYTES-GHIVURASSA-N -1 0 492.616 5.524 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1 ZINC000038515406 563134973 /nfs/dbraw/zinc/13/49/73/563134973.db2.gz ODPNDPZKFUBRFF-MRRNZFKNSA-N -1 0 472.710 6.204 1 0 JKAFRM COC[C@@H]1C[C@@](CC(C)C)(C(=O)[O-])N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1 ZINC000038577477 563135135 /nfs/dbraw/zinc/13/51/35/563135135.db2.gz URHNVEKBTOYPNA-COKJOHSESA-N -1 0 488.650 5.169 1 0 JKAFRM CC(C)C(=O)Nc1cc(C(=O)[O-])cc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000038804324 563135623 /nfs/dbraw/zinc/13/56/23/563135623.db2.gz WIWUOOBNWAOADC-UHFFFAOYSA-N -1 0 499.994 7.546 1 0 JKAFRM CS(=O)(=O)c1ccnc2c1c(Sc1cccc(Cl)c1Cl)c1n2CCC[C@H]1CC(=O)[O-] ZINC000038943726 563135918 /nfs/dbraw/zinc/13/59/18/563135918.db2.gz ZDZJTARQTIAZKQ-NSHDSACASA-N -1 0 485.414 5.250 1 0 JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(=O)[O-])CCC(C)(C)C[C@H]5[C@H]4CC[C@@H]32)C1(C)C ZINC000040392506 563137997 /nfs/dbraw/zinc/13/79/97/563137997.db2.gz WXKHJCDACFREHC-ANMNGKDWSA-N -1 0 484.721 7.414 1 0 JKAFRM Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)[O-])c1 ZINC000040392844 563138117 /nfs/dbraw/zinc/13/81/17/563138117.db2.gz UCHITAGTDQJGJR-AWEZNQCLSA-N -1 0 489.330 6.483 1 0 JKAFRM CO[C@H]1C=C(CCC/C(C)=C\CC/C(C)=C\CC[C@@H](C)C=C2OC(=O)C(C)=C2[O-])[C@H](OC)O1 ZINC000040394365 563138728 /nfs/dbraw/zinc/13/87/28/563138728.db2.gz DWEDIMJGKRGQNM-XEWMHMMZSA-N -1 0 460.611 6.420 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC000040404257 563139911 /nfs/dbraw/zinc/13/99/11/563139911.db2.gz QVPWBBCBTGSFHL-UHFFFAOYSA-N -1 0 480.524 5.141 1 0 JKAFRM CO[C@]1(Cc2ccoc2)C=C(CCC/C(C)=C\CC[C@@H](C)C=C2OC(=O)C(C)=C2[O-])C(=O)O1 ZINC000040409843 563140531 /nfs/dbraw/zinc/14/05/31/563140531.db2.gz VBKLXPVCFCAJHW-KYZQRXNCSA-N -1 0 456.535 5.454 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](OCC(C)C)C(=O)[O-])c2sccc21 ZINC000040413451 563141092 /nfs/dbraw/zinc/14/10/92/563141092.db2.gz KQXDPYDFFKAXBV-DEOSSOPVSA-N -1 0 479.598 6.155 1 0 JKAFRM Cc1c(C(=O)[N-]C(=O)OC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040414317 563141245 /nfs/dbraw/zinc/14/12/45/563141245.db2.gz WOLAGPAIASZIBE-UHFFFAOYSA-N -1 0 480.779 6.473 1 0 JKAFRM CCCCC(=O)Nc1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000040422060 563141783 /nfs/dbraw/zinc/14/17/83/563141783.db2.gz UKUBUHNENSJHLR-UHFFFAOYSA-N -1 0 483.612 6.921 1 0 JKAFRM C[C@H](CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C)C(=O)[O-] ZINC000040422620 563141996 /nfs/dbraw/zinc/14/19/96/563141996.db2.gz IIUXRYBFJIQPEV-UMMBGTLMSA-N -1 0 456.711 7.522 1 0 JKAFRM CCCc1cc(C(=O)c2ccccc2)ccc1OCCCn1ccc2c1cccc2OC(C)(C)C(=O)[O-] ZINC000040429388 563143373 /nfs/dbraw/zinc/14/33/73/563143373.db2.gz YNRZHOKTFKAHKG-UHFFFAOYSA-N -1 0 499.607 6.536 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)cc4F)cc3Cl)nc2c1 ZINC000040429648 563143443 /nfs/dbraw/zinc/14/34/43/563143443.db2.gz PUHGEDWIXIXWES-FPYGCLRLSA-N -1 0 468.843 5.705 1 0 JKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000040565466 563145571 /nfs/dbraw/zinc/14/55/71/563145571.db2.gz STZFCLHZQVDPGE-TUJGGSLHSA-N -1 0 498.516 7.329 1 0 JKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000040568671 563146279 /nfs/dbraw/zinc/14/62/79/563146279.db2.gz BRNLGNMUIVCUED-UHFFFAOYSA-N -1 0 469.257 5.298 1 0 JKAFRM C[C@H](C(=O)NCCCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040576128 563146496 /nfs/dbraw/zinc/14/64/96/563146496.db2.gz UQGWAXLBYYPNLN-XRWHBWGRSA-N -1 0 487.725 6.104 1 0 JKAFRM C[C@]1(c2cccc(O)c2)c2cc(C(=O)[O-])sc2C(=O)c2c1c1ccccc1n2Cc1ccccc1 ZINC000040641218 563147319 /nfs/dbraw/zinc/14/73/19/563147319.db2.gz VDKZSRZBOJSYEX-LJAQVGFWSA-N -1 0 479.557 6.054 1 0 JKAFRM O=C(Nc1ccc2ccccc2c1)[C@@H](c1csc2ccc(Cl)cc21)[P@@](=O)([O-])c1ccccc1 ZINC000040752839 563147727 /nfs/dbraw/zinc/14/77/27/563147727.db2.gz RPCJHNXQLYCBOF-RUZDIDTESA-N -1 0 491.936 6.984 1 0 JKAFRM COc1c(Br)c([O-])c(Br)c2c1C(=O)O[C@H](C)CCCCCCC2 ZINC000040763338 563147979 /nfs/dbraw/zinc/14/79/79/563147979.db2.gz UHGUHKDMVJMYCG-SNVBAGLBSA-N -1 0 450.167 5.368 1 0 JKAFRM CC(C)(C)c1ccc(COc2cccc(S(=O)(=O)[N-]c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000040763467 563148028 /nfs/dbraw/zinc/14/80/28/563148028.db2.gz BSEOJYGCRSQABK-UHFFFAOYSA-N -1 0 470.978 6.159 1 0 JKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000040764151 563148126 /nfs/dbraw/zinc/14/81/26/563148126.db2.gz KDPZODSSBSQKJQ-ZQMHEBDUSA-N -1 0 487.750 6.925 1 0 JKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1cc(Cl)cc(Cl)c1 ZINC000040764319 563148246 /nfs/dbraw/zinc/14/82/46/563148246.db2.gz KJIBIEKHVWDGDU-UHFFFAOYSA-N -1 0 470.150 5.586 1 0 JKAFRM C[C@H](C(=O)NCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040764418 563148348 /nfs/dbraw/zinc/14/83/48/563148348.db2.gz RTLWWMBSYRTPIA-GSKRKHOPSA-N -1 0 459.671 5.324 1 0 JKAFRM Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040835013 563148935 /nfs/dbraw/zinc/14/89/35/563148935.db2.gz JLZZODAWIHKLRO-DEOSSOPVSA-N -1 0 493.991 6.209 1 0 in-vivo JKAFRM Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1ccc(F)c(O[C@@H](C)C(=O)[O-])c1 ZINC000040846737 563149250 /nfs/dbraw/zinc/14/92/50/563149250.db2.gz GZQQCXUDJSDGDP-HNNXBMFYSA-N -1 0 454.885 5.830 1 0 JKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1nc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000040847201 563149345 /nfs/dbraw/zinc/14/93/45/563149345.db2.gz CJRLZOIJJDGMOV-QFIPXVFZSA-N -1 0 487.357 5.648 1 0 JKAFRM COCCOCOc1ccc(-c2ccc3cc(C(=O)[O-])ccc3c2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000040864792 563150860 /nfs/dbraw/zinc/15/08/60/563150860.db2.gz QIFYHTFCRMVLIO-UHFFFAOYSA-N -1 0 486.608 6.672 1 0 JKAFRM Cc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040865909 563151003 /nfs/dbraw/zinc/15/10/03/563151003.db2.gz LPGOCWBNYPXSCE-VWLOTQADSA-N -1 0 473.573 5.864 1 0 JKAFRM C[C@@H](CCc1ccc(OCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040877919 563152549 /nfs/dbraw/zinc/15/25/49/563152549.db2.gz XESSOTGNCHFZKJ-QHCPKHFHSA-N -1 0 489.612 5.041 1 0 JKAFRM O=C([O-])[C@H]1C[C@@]12C[C@H](c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O ZINC000040877549 563152590 /nfs/dbraw/zinc/15/25/90/563152590.db2.gz CGIUPYXYUUXSSJ-PRNYMFJNSA-N -1 0 482.511 5.272 1 0 JKAFRM O=C([O-])[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O ZINC000040877543 563152593 /nfs/dbraw/zinc/15/25/93/563152593.db2.gz CGIUPYXYUUXSSJ-ZCAZLTSLSA-N -1 0 482.511 5.272 1 0 JKAFRM C[C@H](C(=O)[O-])N1CCN(c2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C1=O ZINC000040879258 563152779 /nfs/dbraw/zinc/15/27/79/563152779.db2.gz QHXLCUZCLDAUAR-LJQANCHMSA-N -1 0 467.525 5.196 1 0 JKAFRM CN1C(=O)[C@]2(C[C@@H]2C(=O)[O-])C[C@H]1c1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)c(F)c1 ZINC000040896916 563154007 /nfs/dbraw/zinc/15/40/07/563154007.db2.gz INJZRGNTMDWYSJ-WHOFMZINSA-N -1 0 496.538 5.614 1 0 JKAFRM C[C@@H](C(=O)[O-])c1ccc(OCCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1 ZINC000040898150 563154236 /nfs/dbraw/zinc/15/42/36/563154236.db2.gz VNXUUUCQTCVJGP-HSZRJFAPSA-N -1 0 489.612 5.356 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])c1 ZINC000040899084 563154428 /nfs/dbraw/zinc/15/44/28/563154428.db2.gz LMXWFBBGEFYBBL-UHFFFAOYSA-N -1 0 478.548 6.351 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2c(C(=O)[O-])nnn2-c2ccccc2)c1 ZINC000040913929 563155009 /nfs/dbraw/zinc/15/50/09/563155009.db2.gz MBBAYLYCJKYLOJ-UHFFFAOYSA-N -1 0 480.524 5.141 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nnn(-c3ccccc3)c2C(=O)[O-])cc1 ZINC000040914239 563155098 /nfs/dbraw/zinc/15/50/98/563155098.db2.gz SBVQOLXKPSHOBM-UHFFFAOYSA-N -1 0 480.524 5.141 1 0 JKAFRM CCCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000040914637 563155317 /nfs/dbraw/zinc/15/53/17/563155317.db2.gz RQXYHVJAIRBCJV-VWLOTQADSA-N -1 0 497.611 6.192 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccccc1)N(CC1CC1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000040918535 563156257 /nfs/dbraw/zinc/15/62/57/563156257.db2.gz NGFCSUQJIOQASX-XMMPIXPASA-N -1 0 469.990 5.104 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(C(=O)[O-])CCCCC2)c(C)c1 ZINC000040934589 563157446 /nfs/dbraw/zinc/15/74/46/563157446.db2.gz ACJDCIRPPARZQQ-UHFFFAOYSA-N -1 0 473.573 5.926 1 0 JKAFRM C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CC[C@](C)(C(=O)[O-])C[C@H]4[C@]3(C)CC[C@]12C ZINC000040937583 563158266 /nfs/dbraw/zinc/15/82/66/563158266.db2.gz WHWHDGKOSUKYOV-VYTNREEISA-N -1 0 456.711 7.522 1 0 JKAFRM CCCCOC([O-])=NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040937462 563158335 /nfs/dbraw/zinc/15/83/35/563158335.db2.gz OYKUBMQMCCLMQY-UHFFFAOYSA-N -1 0 480.779 6.474 1 0 JKAFRM CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCCC(=O)[O-])cccn12 ZINC000040938471 563158504 /nfs/dbraw/zinc/15/85/04/563158504.db2.gz UYKXOZZGIXPHSU-UHFFFAOYSA-N -1 0 499.011 5.039 1 0 JKAFRM Cc1c(C(=O)[N-]S(=O)(=O)C(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040938623 563158522 /nfs/dbraw/zinc/15/85/22/563158522.db2.gz KNEKIZNPRLUDOS-UHFFFAOYSA-N -1 0 486.808 5.276 1 0 JKAFRM CC(C)c1cc2c(cc1NC(=O)Nc1ccc(F)c(F)c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040952788 563160134 /nfs/dbraw/zinc/16/01/34/563160134.db2.gz MXVXQHFSHMPMRQ-XSBVVTFOSA-N -1 0 470.560 6.827 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)c(F)c4)c(F)c3)nc2c1 ZINC000040955619 563160735 /nfs/dbraw/zinc/16/07/35/563160735.db2.gz MCSNHKMEDDYXDV-FPYGCLRLSA-N -1 0 452.388 5.191 1 0 JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H](O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000040972418 563161341 /nfs/dbraw/zinc/16/13/41/563161341.db2.gz XWTHCVVELKFFHZ-HJHQFHRLSA-N -1 0 470.694 6.413 1 0 JKAFRM CC(C)c1cc2c(cc1NC(=O)Nc1cccc(Cl)c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040973892 563161669 /nfs/dbraw/zinc/16/16/69/563161669.db2.gz BHLODSNHRRWUGL-XSBVVTFOSA-N -1 0 469.025 7.202 1 0 JKAFRM O=c1[n-]c(=S)nc2[nH]c3c(c(-c4ccc(Cl)cc4)c1-2)CCCC3=Cc1ccc(Cl)cc1 ZINC000042887510 563163297 /nfs/dbraw/zinc/16/32/97/563163297.db2.gz WHHZQYBYWJCUON-NTCAYCPXSA-N -1 0 466.393 6.458 1 0 JKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccccc3)ccc12)C(=O)[O-] ZINC000043021611 563165077 /nfs/dbraw/zinc/16/50/77/563165077.db2.gz RGCUFTVHLLFSQN-QFIPXVFZSA-N -1 0 498.582 5.053 1 0 JKAFRM COc1ccc(-c2cccc(S(=O)(=O)[N-]c3sccc3-c3nc4ccccc4s3)c2)cc1 ZINC000043059278 563165529 /nfs/dbraw/zinc/16/55/29/563165529.db2.gz WUURKIYUEULTKZ-UHFFFAOYSA-N -1 0 478.620 6.501 1 0 JKAFRM CCC(CC)(c1ccccc1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c1 ZINC000043074092 563166491 /nfs/dbraw/zinc/16/64/91/563166491.db2.gz VICOOSNNZUPVHM-IGPZRPDBSA-N -1 0 476.588 6.199 1 0 in-vitro JKAFRM O=S(=O)([N-]c1ccccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043079078 563166982 /nfs/dbraw/zinc/16/69/82/563166982.db2.gz NDGMAIFSWLRHFJ-UHFFFAOYSA-N -1 0 477.010 7.085 1 0 JKAFRM COc1ccc(-c2cccc(S(=O)(=O)[N-]c3scc(C)c3-c3nc4ccccc4s3)c2)cc1 ZINC000043121098 563167527 /nfs/dbraw/zinc/16/75/27/563167527.db2.gz RPIQTMRFJJMONK-UHFFFAOYSA-N -1 0 492.647 6.810 1 0 JKAFRM COc1ccc(-c2ccc(S(=O)(=O)[N-]c3scc(C)c3-c3nc4ccccc4s3)cc2)cc1 ZINC000043123524 563167826 /nfs/dbraw/zinc/16/78/26/563167826.db2.gz FCHMRLWDKJHUGB-UHFFFAOYSA-N -1 0 492.647 6.810 1 0 JKAFRM COc1cccc([C@H]2O[C@H](CC(=O)[O-])c3noc(C(C)C)c3-c3ccc(Cl)cc32)c1OC ZINC000043178073 563168219 /nfs/dbraw/zinc/16/82/19/563168219.db2.gz WRADIXPKOCXFKO-WZONZLPQSA-N -1 0 457.910 5.771 1 0 JKAFRM COc1cccc([C@@H]2O[C@H](CC(=O)[O-])c3noc(C(C)C)c3-c3ccc(Cl)cc32)c1OC ZINC000043178077 563168253 /nfs/dbraw/zinc/16/82/53/563168253.db2.gz WRADIXPKOCXFKO-JPYJTQIMSA-N -1 0 457.910 5.771 1 0 JKAFRM COc1cccc([C@H]2O[C@@H](CC(=O)[O-])c3noc(C(C)C)c3-c3ccc(Cl)cc32)c1OC ZINC000043178071 563168255 /nfs/dbraw/zinc/16/82/55/563168255.db2.gz WRADIXPKOCXFKO-FDDCHVKYSA-N -1 0 457.910 5.771 1 0 JKAFRM C[C@H]1C(=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)[O-])C[C@H]4[C@]3(C)CC[C@]12C ZINC000044361844 563172235 /nfs/dbraw/zinc/17/22/35/563172235.db2.gz KVLFXTHBJNNYDP-KWDXJSKJSA-N -1 0 472.710 6.493 1 0 biogenic,in-vitro JKAFRM O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(cc1[O-])CCN(C1CCC1)CC2 ZINC000045231142 563181348 /nfs/dbraw/zinc/18/13/48/563181348.db2.gz FBXHKVPDTPUMCW-UHFFFAOYSA-N -1 0 498.044 5.411 1 0 JKAFRM O=C([O-])Cc1sc(Cc2ccccc2-c2cccc(OC(F)(F)F)c2)nc1-c1ccc(F)cc1 ZINC000045336440 563190257 /nfs/dbraw/zinc/19/02/57/563190257.db2.gz GLTDPYBJGLZZJF-UHFFFAOYSA-N -1 0 487.474 6.733 1 0 JKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccnc(Cl)c1 ZINC000045337108 563190416 /nfs/dbraw/zinc/19/04/16/563190416.db2.gz CBJSXICHQNIXDE-UHFFFAOYSA-N -1 0 456.901 5.944 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cc(F)cc(F)c1 ZINC000045356059 563192436 /nfs/dbraw/zinc/19/24/36/563192436.db2.gz REBKSXOXFFOVNC-SANMLTNESA-N -1 0 481.539 6.078 1 0 JKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cc(F)cc(F)c1 ZINC000045357817 563192600 /nfs/dbraw/zinc/19/26/00/563192600.db2.gz VPOKZKUDYZIVLB-UHFFFAOYSA-N -1 0 457.448 6.174 1 0 JKAFRM Cc1ccc(OCc2ccc(CCC(=O)[O-])c(C(=O)N[C@@H](CC(C)C)c3cc(C)cc(C)c3)c2)cc1 ZINC000045366798 563193157 /nfs/dbraw/zinc/19/31/57/563193157.db2.gz FTAFMJDXEACGGN-LJAQVGFWSA-N -1 0 487.640 6.725 1 0 JKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3cccc(F)c3)ccc2CCC(=O)[O-])c1 ZINC000045367529 563193351 /nfs/dbraw/zinc/19/33/51/563193351.db2.gz JZCWPRMKQDJDBN-NDEPHWFRSA-N -1 0 491.603 6.556 1 0 JKAFRM CN(C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1)C1CCCCC1 ZINC000045368311 563193453 /nfs/dbraw/zinc/19/34/53/563193453.db2.gz SMTYKCWZQNXJHZ-UHFFFAOYSA-N -1 0 462.590 6.438 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC000045369054 563193523 /nfs/dbraw/zinc/19/35/23/563193523.db2.gz KOPLSXVYIPSQDU-SANMLTNESA-N -1 0 463.549 5.939 1 0 JKAFRM O=C([O-])C[C@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2cc(Cl)ccc21 ZINC000045370231 563193689 /nfs/dbraw/zinc/19/36/89/563193689.db2.gz IQFLDKBWKHEUQY-DPQZDQFZSA-N -1 0 457.014 5.170 1 0 JKAFRM O=C([O-])c1ccc2c(c1)n(CC(=O)NCc1ccccc1)c(-c1ccoc1)c2C1CCCCC1 ZINC000045384443 563194313 /nfs/dbraw/zinc/19/43/13/563194313.db2.gz RMBHCWFDUNYVOQ-UHFFFAOYSA-N -1 0 456.542 5.964 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000045386533 563194591 /nfs/dbraw/zinc/19/45/91/563194591.db2.gz AXCOTJZGNGEVSS-FGZHOGPDSA-N -1 0 491.609 6.477 1 0 JKAFRM O=C([O-])c1ccccc1C(=O)N(Cc1ccc(-c2ccccc2)cc1)[C@H]1CCCc2ccccc21 ZINC000045387223 563194630 /nfs/dbraw/zinc/19/46/30/563194630.db2.gz SQAUPMCCHWVHKK-LJAQVGFWSA-N -1 0 461.561 6.772 1 0 JKAFRM O=C(CSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1)Nc1ccc(Cl)cc1 ZINC000045391256 563195091 /nfs/dbraw/zinc/19/50/91/563195091.db2.gz SWUPZYDZQZTRHB-UHFFFAOYSA-N -1 0 454.766 5.052 1 0 JKAFRM CC(C)Oc1ccc(-n2c(C(=O)[O-])cc3cc(Oc4ccc(C5CCCCC5)cc4)ccc32)cc1 ZINC000045495505 563195568 /nfs/dbraw/zinc/19/55/68/563195568.db2.gz YODSJBDYMHTGPU-UHFFFAOYSA-N -1 0 469.581 7.956 1 0 JKAFRM CCCc1cc(C(=O)c2ccccc2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)[O-])ccc21 ZINC000045505696 563196285 /nfs/dbraw/zinc/19/62/85/563196285.db2.gz YUURYKACPBNBBB-UHFFFAOYSA-N -1 0 499.607 6.536 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2CC(=O)[O-])cc1 ZINC000045505978 563196387 /nfs/dbraw/zinc/19/63/87/563196387.db2.gz SEODTXMDIACADJ-UHFFFAOYSA-N -1 0 494.551 5.070 1 0 JKAFRM C/C(=C/CC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000048999599 563196897 /nfs/dbraw/zinc/19/68/97/563196897.db2.gz NBYDYPSPSIPINS-CJAOMCBOSA-N -1 0 470.694 6.292 1 0 JKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2/C=C/c2ccccc2)cc1 ZINC000049032067 563197895 /nfs/dbraw/zinc/19/78/95/563197895.db2.gz AABWNUVUEHGWFW-OVCLIPMQSA-N -1 0 487.577 6.340 1 0 JKAFRM C[C@@H]1C[C@@H](N(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049032654 563198028 /nfs/dbraw/zinc/19/80/28/563198028.db2.gz PDRXBJRVQAFAFO-LYZGTLIUSA-N -1 0 490.559 6.212 1 0 JKAFRM COc1ccc(-c2nc(Sc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000049033534 563198239 /nfs/dbraw/zinc/19/82/39/563198239.db2.gz AWWBIVKEAWOPAG-UHFFFAOYSA-N -1 0 493.606 6.417 1 0 JKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(Cl)cc2)cc1 ZINC000049036963 563199067 /nfs/dbraw/zinc/19/90/67/563199067.db2.gz VUNQJEIZMYHSOC-UHFFFAOYSA-N -1 0 479.916 6.021 1 0 JKAFRM C[C@H](NC(=O)c1cccc2c(Cl)cn(Cc3cccc(Cl)c3)c21)c1ccc(C(=O)[O-])cc1 ZINC000049046029 563199339 /nfs/dbraw/zinc/19/93/39/563199339.db2.gz RMUKIVLVEMOFHB-HNNXBMFYSA-N -1 0 467.352 6.186 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CC(=O)C[C@]43C)[C@@H]2C1 ZINC000049047681 563199606 /nfs/dbraw/zinc/19/96/06/563199606.db2.gz RHPBUWJZKONKCT-CDNBJWEZSA-N -1 0 454.695 7.442 1 0 in-vivo JKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2cccc(Cl)c2)n1)c1cccc2ccccc21 ZINC000049067878 563200910 /nfs/dbraw/zinc/20/09/10/563200910.db2.gz HVMQERGLUKDWRN-HXUWFJFHSA-N -1 0 456.354 6.598 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049071198 563201336 /nfs/dbraw/zinc/20/13/36/563201336.db2.gz ZJBKZFWZBSITBK-UHFFFAOYSA-N -1 0 486.524 5.623 1 0 JKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)OCC2CC2)c1 ZINC000049072329 563201471 /nfs/dbraw/zinc/20/14/71/563201471.db2.gz LCGZOVMJVMQILM-UHFFFAOYSA-N -1 0 484.936 5.316 1 0 JKAFRM C/C(=C/[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000049088171 563201668 /nfs/dbraw/zinc/20/16/68/563201668.db2.gz BHPUPTSWPKUFML-UMHXCXGWSA-N -1 0 470.694 6.291 1 0 JKAFRM C/C(=C\CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000049089901 563202044 /nfs/dbraw/zinc/20/20/44/563202044.db2.gz SNZQBBATMLGADX-CDVAXDTMSA-N -1 0 468.678 6.499 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CC(=O)C[C@]43C)[C@@H]2[C@H]1C ZINC000049090048 563202091 /nfs/dbraw/zinc/20/20/91/563202091.db2.gz IBKGEALKYWYOQK-YEGQRXTKSA-N -1 0 454.695 7.298 1 0 JKAFRM Cc1nc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c(-c2cccc(OCC(=O)[O-])c2)o1 ZINC000049882028 563204659 /nfs/dbraw/zinc/20/46/59/563204659.db2.gz HXMLXHHBNQRRQD-UHFFFAOYSA-N -1 0 452.466 6.102 1 0 JKAFRM COc1cc(/C=C2\SC(=O)N([C@H](C)c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053243560 563205362 /nfs/dbraw/zinc/20/53/62/563205362.db2.gz GZOLDSWDTAQYIQ-WMWHPZEKSA-N -1 0 489.549 5.770 1 0 JKAFRM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/CCCCCCCCCC=C(Br)Br ZINC000053294294 563205564 /nfs/dbraw/zinc/20/55/64/563205564.db2.gz ASJBFCPBHXEJFU-DKGMDFAASA-N -1 0 479.253 5.760 1 0 JKAFRM CCCC[C@H](Sc1nc(OCCC2CCCC2)cc(OCCC2CCCC2)n1)C(=O)[O-] ZINC000053296369 563205663 /nfs/dbraw/zinc/20/56/63/563205663.db2.gz ITLSBXVSQMLKTA-FQEVSTJZSA-N -1 0 450.645 6.130 1 0 JKAFRM CCCC[C@H](Sc1nc(OCCc2ccc(C)cc2)cc(OCCc2ccc(C)cc2)n1)C(=O)[O-] ZINC000053312839 563205793 /nfs/dbraw/zinc/20/57/93/563205793.db2.gz BUCFYPOIQPKROS-DEOSSOPVSA-N -1 0 494.657 6.072 1 0 JKAFRM O=C([O-])[C@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)c1ccccc1 ZINC000053312612 563205806 /nfs/dbraw/zinc/20/58/06/563205806.db2.gz VHUIDJVKELHGQO-AREMUKBSSA-N -1 0 486.593 5.638 1 0 JKAFRM O=C([O-])c1cccc(C[C@@H]2COc3ccc(OCc4nc5cc(F)ccc5s4)cc3[C@@H]2CO)c1 ZINC000058541513 563207183 /nfs/dbraw/zinc/20/71/83/563207183.db2.gz KPSJUBYAIAQGGH-DYESRHJHSA-N -1 0 479.529 5.040 1 0 JKAFRM CCCc1nc2ccc(C(=O)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000058568368 563207435 /nfs/dbraw/zinc/20/74/35/563207435.db2.gz FUJPZIGVXDTRPM-UHFFFAOYSA-N -1 0 474.560 6.633 1 0 JKAFRM O=C([O-])c1c(O)c(C2(c3ccc(Cl)cc3)CC2)nc2c1cc(Br)cc2C(F)(F)F ZINC000058574699 563207572 /nfs/dbraw/zinc/20/75/72/563207572.db2.gz HSAWPUIDOQVIKW-UHFFFAOYSA-N -1 0 486.671 6.153 1 0 JKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(Cc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059285890 563209019 /nfs/dbraw/zinc/20/90/19/563209019.db2.gz PTGUTFMZXRSCAX-DEOSSOPVSA-N -1 0 462.458 7.456 1 0 JKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(/C=C/c2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059297556 563209037 /nfs/dbraw/zinc/20/90/37/563209037.db2.gz PFBOFGVKQVDOTL-YMBOSHGCSA-N -1 0 474.469 8.035 1 0 JKAFRM CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OC[C@H]4CC(=O)[O-])c2)c(C)c1 ZINC000059860701 563209378 /nfs/dbraw/zinc/20/93/78/563209378.db2.gz LEQURGIJVFLRPH-HSZRJFAPSA-N -1 0 475.585 5.949 1 0 JKAFRM CC(C)=CCC/C(C)=C/Cc1c(=O)c2ccc([O-])c(CC=C(C)C)c2oc1-c1ccc(O)cc1O ZINC000014688691 571719789 /nfs/dbraw/zinc/71/97/89/571719789.db2.gz HCSUUBNHCMBDJW-KEBDBYFISA-N -1 0 474.597 7.321 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@@H]5C(C)(C)[C@@H](O)[C@@H](O)C[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000015117347 571731349 /nfs/dbraw/zinc/73/13/49/571731349.db2.gz JMJVYEINATYJHM-VTORIHSRSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)[O-])O2 ZINC000085588847 571783755 /nfs/dbraw/zinc/78/37/55/571783755.db2.gz NJIUWSABAIXPGI-MTHBZEIPSA-N -1 0 460.699 7.905 1 0 endogenous,in-man JKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(=O)[O-])O2 ZINC000085588851 571783799 /nfs/dbraw/zinc/78/37/99/571783799.db2.gz NJIUWSABAIXPGI-BOMWOKNESA-N -1 0 460.699 7.905 1 0 endogenous,in-man JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@H](C=CC4=C5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000095619986 571799266 /nfs/dbraw/zinc/79/92/66/571799266.db2.gz TTYAJXXKGDEWSY-YOOLOYQOSA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2C1 ZINC000100777620 571824588 /nfs/dbraw/zinc/82/45/88/571824588.db2.gz GBMBQYFNPMVAMS-DWXCWYNTSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@@]3(C)CC[C@H]12 ZINC000100777713 571825222 /nfs/dbraw/zinc/82/52/22/571825222.db2.gz CZWBKSDPBWNHGO-DELCIQCWSA-N -1 0 472.710 6.206 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100778520 571827978 /nfs/dbraw/zinc/82/79/78/571827978.db2.gz ZZTYPLSBNNGEIS-IXITYXEPSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100778524 571828027 /nfs/dbraw/zinc/82/80/27/571828027.db2.gz ZZTYPLSBNNGEIS-GLDSWVPDSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM CC1=C(C)[C@@H]2C3=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC1 ZINC000100779214 571830511 /nfs/dbraw/zinc/83/05/11/571830511.db2.gz HKJOHXSLBNLQHF-QPYQYMOUSA-N -1 0 454.695 7.154 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@@H](C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000100779514 571831357 /nfs/dbraw/zinc/83/13/57/571831357.db2.gz MUCRYNWJQNHDJH-FRIUVUFISA-N -1 0 454.695 7.298 1 0 endogenous,in-man JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])CC[C@@]3(C)CC[C@]21C ZINC000100781814 571836102 /nfs/dbraw/zinc/83/61/02/571836102.db2.gz CGZZFWMLSVHLFZ-QMZOXJBCSA-N -1 0 454.695 7.442 1 0 endogenous,in-man JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])CC[C@@]3(C)CC[C@]21C ZINC000100781811 571836147 /nfs/dbraw/zinc/83/61/47/571836147.db2.gz CGZZFWMLSVHLFZ-RPLSCPFCSA-N -1 0 454.695 7.442 1 0 endogenous,in-man JKAFRM CC1=C2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C(=O)[O-])CC[C@H]1C ZINC000100781829 571836583 /nfs/dbraw/zinc/83/65/83/571836583.db2.gz SHLWEZVZPAYIHX-QJEKITDJSA-N -1 0 452.679 7.362 1 0 endogenous,in-man JKAFRM C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC[C@@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])CC(=O)[C@@]3(C)CC[C@]21C ZINC000100782683 571838208 /nfs/dbraw/zinc/83/82/08/571838208.db2.gz MVTZJCYINFKILV-VZPLVQORSA-N -1 0 486.693 5.385 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100783767 571840694 /nfs/dbraw/zinc/84/06/94/571840694.db2.gz NMCMUIZIKSPDCX-BFVIOQQKSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC(C)C[C@@H](c1c([O-])c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000014584575 574413474 /nfs/dbraw/zinc/41/34/74/574413474.db2.gz IBLPTYJTKWQCDX-XJTWYUKISA-N -1 0 472.622 5.408 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](O)C(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@]1(C)O ZINC000095619506 574417090 /nfs/dbraw/zinc/41/70/90/574417090.db2.gz UYHSBQDAYWOYNS-KTEGSIKNSA-N -1 0 486.693 5.383 1 0 endogenous,in-man JKAFRM C[C@]12CC[C@H](O)[C@](C)(CO)[C@@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])[C@H](O)C[C@]3(C)CC[C@]21C ZINC000095619500 574417092 /nfs/dbraw/zinc/41/70/92/574417092.db2.gz ZXWLSOQCDSAYHO-RBGQDQRBSA-N -1 0 488.709 5.177 1 0 endogenous,in-man JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000100778650 574418813 /nfs/dbraw/zinc/41/88/13/574418813.db2.gz YJBVHJIKNLBFDX-XAASKBIESA-N -1 0 498.748 7.660 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100779170 574418837 /nfs/dbraw/zinc/41/88/37/574418837.db2.gz JXSVIVRDWWRQRT-XBMUUGRRSA-N -1 0 488.709 5.033 1 0 endogenous,in-man JKAFRM C[C@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100781613 574418912 /nfs/dbraw/zinc/41/89/12/574418912.db2.gz JPGOJQJBPLCRQP-IXPLNBMBSA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@H](C(=O)[O-])c3ccccc3)cc2)cc1 ZINC000028756448 581095045 /nfs/dbraw/zinc/09/50/45/581095045.db2.gz ZXJZWEZPPFZNNL-HKBQPEDESA-N -1 0 492.640 8.783 1 0 JKAFRM COc1cc(OCC(=O)[O-])c(C)cc1SCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000028822316 581099710 /nfs/dbraw/zinc/09/97/10/581099710.db2.gz ONKOHQZZVMTPOM-UHFFFAOYSA-N -1 0 492.515 6.357 1 0 JKAFRM C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)cnn1C)c1ccc(F)cc1 ZINC000095572753 541107988 /nfs/dbraw/zinc/10/79/88/541107988.db2.gz KADNHYHIFGASJE-GOSISDBHSA-N -1 0 499.542 6.319 1 0 JKAFRM C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)cnn1C)c1ccccc1 ZINC000095577941 541108033 /nfs/dbraw/zinc/10/80/33/541108033.db2.gz FXNTUWDUBMRIKX-GOSISDBHSA-N -1 0 455.514 5.691 1 0 JKAFRM C[C@@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)[O-])cc1)C1=C(Cl)CCCC1 ZINC000028903677 541108041 /nfs/dbraw/zinc/10/80/41/541108041.db2.gz RXDYETAEWGWCSO-CQSZACIVSA-N -1 0 464.971 6.053 1 0 JKAFRM C[C@@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)[O-])cc1)c1ccccc1Cl ZINC000006745731 541108047 /nfs/dbraw/zinc/10/80/47/541108047.db2.gz SDOSDDJQFQQVLN-CQSZACIVSA-N -1 0 460.939 6.013 1 0 JKAFRM C[C@H](OC(=O)Nc1conc1-c1ccc(CSCCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903529 541108056 /nfs/dbraw/zinc/10/80/56/541108056.db2.gz SDOSDDJQFQQVLN-AWEZNQCLSA-N -1 0 460.939 6.013 1 0 JKAFRM C/C1=C\[C@H]2[C@@H](CC[C@]3(C)Oc4c(C=O)c(O)c(C=O)c([O-])c4[C@@H](CC(C)C)[C@H]3CC1)C2(C)C ZINC000033831136 291551946 /nfs/dbraw/zinc/55/19/46/291551946.db2.gz AGTXIGWLMDUUMQ-CAWNTQMTSA-N -1 0 454.607 6.412 1 0 biogenic,in-vitro JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000033830379 291557439 /nfs/dbraw/zinc/55/74/39/291557439.db2.gz PHFUCJXOLZAQNH-HESQHPNESA-N -1 0 498.748 7.660 1 0 biogenic,in-vitro JKAFRM CC1(C)CC2=C3C=C[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@]3(C)CC[C@@]2(C(=O)[O-])C[C@H]1O ZINC000095914195 291566603 /nfs/dbraw/zinc/56/66/03/291566603.db2.gz NSZFSZBDUJELCA-JBJYXYLFSA-N -1 0 470.694 6.125 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000095098891 291566607 /nfs/dbraw/zinc/56/66/07/291566607.db2.gz MIJYXULNPSFWEK-OFLYFFFTSA-N -1 0 456.711 7.234 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C[C@H]4C[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]2C1 ZINC000059587772 291567613 /nfs/dbraw/zinc/56/76/13/291567613.db2.gz ZVTPITMTNGHPJR-DEFTYTKPSA-N -1 0 454.695 6.844 1 0 biogenic,in-vitro JKAFRM CC1(C)C[C@@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@H](O)CC[C@]54C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1=O ZINC000059587815 291569345 /nfs/dbraw/zinc/56/93/45/291569345.db2.gz YFBQOFTUFLWOHF-LZJQDVIESA-N -1 0 470.694 6.413 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)[C@@H](O)C[C@@H]1O ZINC000095912323 291571635 /nfs/dbraw/zinc/57/16/35/291571635.db2.gz YOGJVTKYACIRSN-RMMRNMMTSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]3CC=C4[C@H]5C[C@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000085529937 291572576 /nfs/dbraw/zinc/57/25/76/291572576.db2.gz CZWBKSDPBWNHGO-ZUWPMQRCSA-N -1 0 472.710 6.206 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000032023021 291593699 /nfs/dbraw/zinc/59/36/99/291593699.db2.gz HQZKQSIAHGHXDL-OJBYIFKSSA-N -1 0 486.693 5.383 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C ZINC000069482553 291594846 /nfs/dbraw/zinc/59/48/46/291594846.db2.gz SMBREQQMZYSMJF-JUOJOJKGSA-N -1 0 454.695 7.298 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@]2(O)[C@H]1C ZINC000095919212 291598310 /nfs/dbraw/zinc/59/83/10/291598310.db2.gz WRBWVXIBUXAOCP-KGJBRTHKSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000070450903 291598313 /nfs/dbraw/zinc/59/83/13/291598313.db2.gz HFGSQOYIOKBQOW-WBHIHDFUSA-N -1 0 472.710 6.060 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000070451082 524716065 /nfs/dbraw/zinc/71/60/65/524716065.db2.gz HFGSQOYIOKBQOW-JWRSQPDUSA-N -1 0 472.710 6.060 1 0 biogenic,in-vitro JKAFRM C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@]1(C)O ZINC000168534108 574419461 /nfs/dbraw/zinc/41/94/61/574419461.db2.gz UYHSBQDAYWOYNS-SATDLDBCSA-N -1 0 486.693 5.383 1 0 endogenous,in-man JKAFRM CCC[C@@H](Oc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000082158056 551090505 /nfs/dbraw/zinc/09/05/05/551090505.db2.gz RSJWMKGJEAKNNJ-OAQYLSRUSA-N -1 0 475.467 5.016 1 0 JKAFRM CCC[C@@H](Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000073224728 551090796 /nfs/dbraw/zinc/09/07/96/551090796.db2.gz JZRVULXACDFRFB-OAQYLSRUSA-N -1 0 474.483 5.049 1 0 JKAFRM CC1(C)[C@@H](O)CC[C@@H]2[C@]13O[C@H]3C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]12C ZINC000070455287 560047412 /nfs/dbraw/zinc/04/74/12/560047412.db2.gz ICXWWEDNOSYVIP-ZSSLMUQXSA-N -1 0 472.710 6.445 1 0 biogenic,in-vitro JKAFRM C/C(=C/CC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=C(C[C@H]2[C@@]1(C)O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)[O-] ZINC000070454217 560048551 /nfs/dbraw/zinc/04/85/51/560048551.db2.gz NAGTVDUVARKYON-DJWDXJNBSA-N -1 0 470.694 6.723 1 0 biogenic,in-vitro JKAFRM COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@H](Cc2ccccc2)c2cc[nH]c2)c1=O ZINC000103533375 560050880 /nfs/dbraw/zinc/05/08/80/560050880.db2.gz AAOYHCVDLRUNLI-HXUWFJFHSA-N -1 0 468.485 5.074 1 0 biogenic,in-vitro JKAFRM C[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C(=O)[O-])C1(C)C ZINC000095914233 560055915 /nfs/dbraw/zinc/05/59/15/560055915.db2.gz HETWLHKNEFJAHE-ORBHWBCLSA-N -1 0 454.739 8.509 1 0 biogenic,in-vitro JKAFRM CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)[O-])[C@H]5CC[C@@]4(C)CC3=CC[C@@H]12 ZINC000095914318 560055930 /nfs/dbraw/zinc/05/59/30/560055930.db2.gz RGIWJHUJDHZDIN-GTVIWBFRSA-N -1 0 472.710 6.204 1 0 biogenic,in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000085648244 560067040 /nfs/dbraw/zinc/06/70/40/560067040.db2.gz OXVUXGFZHDKYLS-RAOWPOTDSA-N -1 0 488.709 5.175 1 0 biogenic,in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2[C@H](O)C[C@]13C ZINC000033831844 560088588 /nfs/dbraw/zinc/08/85/88/560088588.db2.gz ZROCAWRGGJILPA-PQYIMUGNSA-N -1 0 468.678 6.333 1 0 biogenic,in-vitro JKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003978425 560192541 /nfs/dbraw/zinc/19/25/41/560192541.db2.gz RIXNFYQZWDGQAE-CSFXHVSXSA-N -1 0 498.748 7.804 3 0 in-vitro JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000003978771 560192804 /nfs/dbraw/zinc/19/28/04/560192804.db2.gz PGOYMURMZNDHNS-GBTZXOCISA-N -1 0 472.710 6.206 3 0 in-vitro JKAFRM CC/C(=C\C=C\[C@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)[O-])CC[C@@H]1C ZINC000013563344 560219896 /nfs/dbraw/zinc/21/98/96/560219896.db2.gz HSZFOQSMGNAIJM-OETHLFEMSA-N -1 0 465.634 6.213 1 0 in-vitro JKAFRM CC(C)=CCC[C@@]1(C)C=Cc2c(O)c(-c3oc4cc([O-])cc(O)c4c(=O)c3CC=C(C)C)ccc2O1 ZINC000014690589 560224435 /nfs/dbraw/zinc/22/44/35/560224435.db2.gz JGWYWHQILBNHBH-PMERELPUSA-N -1 0 488.580 6.996 1 0 biogenic,in-vitro JKAFRM C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c([O-])c3[C@H](CC(C)C)[C@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210131 571735935 /nfs/dbraw/zinc/73/59/35/571735935.db2.gz XJFLMCYKZVYATJ-VPQGYOAQSA-N -1 0 454.607 6.412 1 0 endogenous,in-man JKAFRM C/C1=C/CC[C@@]2(C)Oc3c(C=O)c(O)c(C=O)c([O-])c3[C@@H](CC(C)C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210128 571736047 /nfs/dbraw/zinc/73/60/47/571736047.db2.gz XJFLMCYKZVYATJ-JBKROCBCSA-N -1 0 454.607 6.412 1 0 endogenous,in-man JKAFRM CCCc1nc2ccccc2c(C(=O)[O-])c1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000000833546 562919081 /nfs/dbraw/zinc/91/90/81/562919081.db2.gz RGKALWPQVOBTCL-UHFFFAOYSA-N -1 0 451.486 5.525 1 0 JKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)[O-])N(C(=O)[C@H](c1ccccc1)C1CCCC1)C2 ZINC000000834282 562919164 /nfs/dbraw/zinc/91/91/64/562919164.db2.gz ITHVMZQOZVQHHY-XTEPFMGCSA-N -1 0 499.607 5.586 1 0 JKAFRM O=C([O-])c1cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c(-c2ccccc2)c1 ZINC000000834462 562919203 /nfs/dbraw/zinc/91/92/03/562919203.db2.gz AHOUTSAYQYMPQH-UHFFFAOYSA-N -1 0 454.522 5.782 1 0 JKAFRM CCCc1c2occ(-c3ccccc3)c2ccc1OCCCSc1ccc(CC(=O)[O-])cc1Cl ZINC000001554391 562921333 /nfs/dbraw/zinc/92/13/33/562921333.db2.gz KAPDPGZDHUCILF-UHFFFAOYSA-N -1 0 495.040 7.894 1 0 in-vivo JKAFRM Cc1ccc(C(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000001554028 562921360 /nfs/dbraw/zinc/92/13/60/562921360.db2.gz NYCMUFDITDOGCI-QHCPKHFHSA-N -1 0 466.375 5.404 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1Cl ZINC000001554207 562921369 /nfs/dbraw/zinc/92/13/69/562921369.db2.gz FGKIAXBGBJIARW-NRFANRHFSA-N -1 0 462.760 5.985 1 0 JKAFRM O=C1CS[C@H](c2cccc(Cl)c2)N1c1c([O-])c(Cl)cc(Br)c1Cl ZINC000001662037 562923070 /nfs/dbraw/zinc/92/30/70/562923070.db2.gz KRJGCFSTINCXKJ-OAHLLOKOSA-N -1 0 453.572 5.894 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2/C=C/c2ccccc2)c1C ZINC000001895377 562924045 /nfs/dbraw/zinc/92/40/45/562924045.db2.gz UNZAVPNCBSRDCV-OUKQBFOZSA-N -1 0 497.576 6.585 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@@H](C(=O)[O-])CC2 ZINC000001910877 562924146 /nfs/dbraw/zinc/92/41/46/562924146.db2.gz GOEXSUARGSRYAV-AREMUKBSSA-N -1 0 462.542 6.058 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)CC[C@H](C(=O)[O-])O2 ZINC000001910881 562924204 /nfs/dbraw/zinc/92/42/04/562924204.db2.gz GUMUZBIUUNEBAM-MUUNZHRXSA-N -1 0 476.569 6.448 1 0 JKAFRM O=C([O-])COCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001914954 562924255 /nfs/dbraw/zinc/92/42/55/562924255.db2.gz QOMOECQBJBSUOY-UHFFFAOYSA-N -1 0 454.570 6.546 1 0 JKAFRM O=C([O-])CS[C@H](CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000001914122 562924280 /nfs/dbraw/zinc/92/42/80/562924280.db2.gz QEJSGEVFYKLAOJ-HHHXNRCGSA-N -1 0 492.040 7.349 1 0 JKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1cccc(Cl)c1 ZINC000003594409 562927350 /nfs/dbraw/zinc/92/73/50/562927350.db2.gz CSIZJRJOWXGEKB-NRFANRHFSA-N -1 0 472.766 5.441 1 0 JKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1Cc1cc2cc(C[C@H]3SC(=O)[N-]C3=O)ccc2o1 ZINC000003787001 562928035 /nfs/dbraw/zinc/92/80/35/562928035.db2.gz JIYHBYMABFEOFJ-HXUWFJFHSA-N -1 0 452.919 5.535 1 0 JKAFRM O=C([O-])Cc1ccccc1Cc1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000003790802 562928132 /nfs/dbraw/zinc/92/81/32/562928132.db2.gz WCTMICCDCORRLH-UHFFFAOYSA-N -1 0 474.601 6.040 1 0 JKAFRM Cc1cc(-c2c(F)c(Sc3ccccc3)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)cc(C)n1 ZINC000003790255 562928169 /nfs/dbraw/zinc/92/81/69/562928169.db2.gz SHGYPOPMGYRISE-UHFFFAOYSA-N -1 0 478.520 6.143 1 0 JKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@H](C(=O)[O-])N(C(=O)[C@H](c1ccccc1)C1CCCC1)C2 ZINC000003799220 562928387 /nfs/dbraw/zinc/92/83/87/562928387.db2.gz ITHVMZQOZVQHHY-IXCJQBJRSA-N -1 0 499.607 5.586 1 0 JKAFRM O=C([O-])CCc1ccccc1CN1C(=O)CC[C@@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000003802561 562928539 /nfs/dbraw/zinc/92/85/39/562928539.db2.gz HMUZODWLPYBTPS-XMMPIXPASA-N -1 0 495.620 5.036 1 0 JKAFRM COc1ccc(OC)c(C(=O)C[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)c1 ZINC000003812584 562928725 /nfs/dbraw/zinc/92/87/25/562928725.db2.gz XPRUQENBEMZZHY-LJQANCHMSA-N -1 0 466.917 5.685 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCSc1ccc(CC(=O)[O-])cc1Cl ZINC000003834054 562929580 /nfs/dbraw/zinc/92/95/80/562929580.db2.gz TZBRFAASYWFUGK-UHFFFAOYSA-N -1 0 487.927 6.641 1 0 in-vitro JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000003934404 562930188 /nfs/dbraw/zinc/93/01/88/562930188.db2.gz RWFVBIQKMCLKMM-CARKBDGISA-N -1 0 470.694 6.270 1 0 in-vitro JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@H](C)CC(=O)[O-])cc3)c2=O)cc1 ZINC000003939503 562930231 /nfs/dbraw/zinc/93/02/31/562930231.db2.gz BQGQVBGSESRXLR-OAQYLSRUSA-N -1 0 495.579 6.094 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)cc1 ZINC000003939501 562930254 /nfs/dbraw/zinc/93/02/54/562930254.db2.gz RYYQCANRHNEFSA-UHFFFAOYSA-N -1 0 481.552 5.533 1 0 JKAFRM CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@@H]2OC(=O)[N-]C2=O)c1 ZINC000003971982 562931232 /nfs/dbraw/zinc/93/12/32/562931232.db2.gz MRLDFFLOSKOQSJ-VWLOTQADSA-N -1 0 451.563 5.842 1 0 JKAFRM CC(C)[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c21 ZINC000003990458 562931665 /nfs/dbraw/zinc/93/16/65/562931665.db2.gz KWQXKZMQOPIHFN-LJQANCHMSA-N -1 0 460.317 5.166 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@@H]2C1 ZINC000004349902 562933158 /nfs/dbraw/zinc/93/31/58/562933158.db2.gz KLHSKTMVSOWVLD-BGIQPSOUSA-N -1 0 472.710 6.204 3 0 JKAFRM O=C(COc1ccc(SCCCCCc2ccccc2)cc1)COc1ccc(C(=O)[O-])cc1 ZINC000004393127 562933314 /nfs/dbraw/zinc/93/33/14/562933314.db2.gz HJJQCMPZMWKMPM-UHFFFAOYSA-N -1 0 464.583 5.917 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CO[C@@H]1c1cccnc1 ZINC000004805333 562933767 /nfs/dbraw/zinc/93/37/67/562933767.db2.gz NMJYFIAGWNELHF-SJKZHLFISA-N -1 0 457.570 6.223 1 0 JKAFRM C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000005733319 562934725 /nfs/dbraw/zinc/93/47/25/562934725.db2.gz VOYZLKWKVLYJHD-KMWZBSAESA-N -1 0 454.695 7.608 1 0 JKAFRM CC(C)=CCc1c2c(c(=O)c3c([O-])c4c(oc1-3)-c1ccc(O)cc1O[C@H]4C=C(C)C)C=CC(C)(C)O2 ZINC000006018644 562936475 /nfs/dbraw/zinc/93/64/75/562936475.db2.gz NECAWZYXMSKYRB-QFIPXVFZSA-N -1 0 486.564 6.964 1 0 JKAFRM O=C1CS[C@@H](c2cccc(Cl)c2)N1c1c([O-])c(Cl)cc(Br)c1Cl ZINC000006041396 562936714 /nfs/dbraw/zinc/93/67/14/562936714.db2.gz KRJGCFSTINCXKJ-HNNXBMFYSA-N -1 0 453.572 5.894 1 0 JKAFRM CC(=O)c1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000006716423 562938074 /nfs/dbraw/zinc/93/80/74/562938074.db2.gz BFEDBWXRCZZONQ-UHFFFAOYSA-N -1 0 480.608 7.187 1 0 JKAFRM C[C@@H](c1ccc(Cl)cc1)n1c2c(cc(F)cc2S(C)(=O)=O)c2c1[C@@H](CC(=O)[O-])CCC2 ZINC000006717488 562938172 /nfs/dbraw/zinc/93/81/72/562938172.db2.gz SSLHBZFYMFYOLS-DZGCQCFKSA-N -1 0 463.958 5.341 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000008035480 562938757 /nfs/dbraw/zinc/93/87/57/562938757.db2.gz MIJYXULNPSFWEK-MDAIVZGXSA-N -1 0 456.711 7.234 1 0 JKAFRM O=C([O-])c1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2cccc(Br)c2)cc1 ZINC000008655014 562948649 /nfs/dbraw/zinc/94/86/49/562948649.db2.gz YMVCQWCOYDEEDS-KSWJTFLNSA-N -1 0 491.341 5.113 3 0 JKAFRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1 ZINC000008774322 562954887 /nfs/dbraw/zinc/95/48/87/562954887.db2.gz VQAQEHXMGFNVHV-UHFFFAOYSA-N -1 0 491.396 5.704 3 0 aggregator JKAFRM O=C([O-])Cn1cc(Cc2nc3c(s2)c(F)cc(F)c3F)c2cc(Oc3ccccc3)ccc21 ZINC000011536155 562957381 /nfs/dbraw/zinc/95/73/81/562957381.db2.gz ISJXLKGPHQLSRN-UHFFFAOYSA-N -1 0 468.456 6.136 1 0 JKAFRM CC(C)c1cccc(-c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2Oc2ccccc2)c1 ZINC000012341157 562959431 /nfs/dbraw/zinc/95/94/31/562959431.db2.gz KVKLHVQKVMGVIS-UHFFFAOYSA-N -1 0 451.522 7.220 1 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000012358215 562959501 /nfs/dbraw/zinc/95/95/01/562959501.db2.gz CJGRPCBFIYJMOR-NHOMFQCRSA-N -1 0 481.386 5.992 1 0 JKAFRM CCO[C@@H](Cc1ccc(OCCCN2c3ccccc3OCOc3ccccc32)cc1)C(=O)[O-] ZINC000012358186 562959549 /nfs/dbraw/zinc/95/95/49/562959549.db2.gz KSBOHRFABLKVLA-SANMLTNESA-N -1 0 463.530 5.055 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000012358239 562959582 /nfs/dbraw/zinc/95/95/82/562959582.db2.gz SJOPMJOBJHEHPB-UHFFFAOYSA-N -1 0 487.596 7.048 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358264 562959587 /nfs/dbraw/zinc/95/95/87/562959587.db2.gz MZIXKXKPGPURRW-AREMUKBSSA-N -1 0 491.609 6.694 1 0 JKAFRM CCCc1c(O)c(C(=O)CC)ccc1OCCCSc1ccc(CC(=O)[O-])cc1Cl ZINC000012358258 562959604 /nfs/dbraw/zinc/95/96/04/562959604.db2.gz MMUPKVYIRSGJIV-UHFFFAOYSA-N -1 0 450.984 5.779 1 0 JKAFRM CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358279 562959610 /nfs/dbraw/zinc/95/96/10/562959610.db2.gz RKCQYASPVGXAQL-VWLOTQADSA-N -1 0 495.572 6.443 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(CCC(=O)[O-])cc1 ZINC000012358242 562959620 /nfs/dbraw/zinc/95/96/20/562959620.db2.gz YYQQCCCNHSMMAA-UHFFFAOYSA-N -1 0 473.569 6.703 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1C ZINC000012358270 562959622 /nfs/dbraw/zinc/95/96/22/562959622.db2.gz KFPCSSYOIZOXRC-AREMUKBSSA-N -1 0 491.609 6.612 1 0 JKAFRM COc1ccc(C[C@H](Sc2ccccc2)C(=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012358302 562959635 /nfs/dbraw/zinc/95/96/35/562959635.db2.gz WZPUFTXNVSHNAQ-QFIPXVFZSA-N -1 0 489.515 5.432 1 0 JKAFRM CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358491 562959697 /nfs/dbraw/zinc/95/96/97/562959697.db2.gz BEESZPXMMFEPAP-VWLOTQADSA-N -1 0 495.572 6.443 1 0 JKAFRM CCCc1cc(C(=O)C2CCCCC2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358506 562959708 /nfs/dbraw/zinc/95/97/08/562959708.db2.gz DSILKMLNLQMKEG-SANMLTNESA-N -1 0 495.641 6.274 1 0 JKAFRM O=C([O-])Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000012358455 562959712 /nfs/dbraw/zinc/95/97/12/562959712.db2.gz ZDGALJOFDDGUFT-QFIPXVFZSA-N -1 0 472.324 5.515 1 0 JKAFRM Cc1ccc2c(c1)O[C@@H](CCOc1ccccc1CC(=O)[O-])C(=O)N2Cc1ccc(Cl)cc1 ZINC000012358474 562959714 /nfs/dbraw/zinc/95/97/14/562959714.db2.gz ZORXUFKPQVOLOM-QHCPKHFHSA-N -1 0 465.933 5.039 1 0 JKAFRM O=C([O-])Cc1ccccc1OCC[C@H]1Oc2ccccc2N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000012358462 562959725 /nfs/dbraw/zinc/95/97/25/562959725.db2.gz CKLZFYZTVMCVJM-HSZRJFAPSA-N -1 0 485.458 5.096 1 0 JKAFRM CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358503 562959746 /nfs/dbraw/zinc/95/97/46/562959746.db2.gz OZZBRLWUSGYQBE-AREMUKBSSA-N -1 0 489.593 5.742 1 0 JKAFRM CCCc1cc(OC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358501 562959766 /nfs/dbraw/zinc/95/97/66/562959766.db2.gz GYMUSJRQCDBZCQ-RUZDIDTESA-N -1 0 483.630 6.223 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)CC[C@@](C)(C(=O)[O-])O2 ZINC000012358544 562959776 /nfs/dbraw/zinc/95/97/76/562959776.db2.gz RPSODICFAFEDQP-PMERELPUSA-N -1 0 490.596 6.838 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@@](C)(C(=O)[O-])CC2 ZINC000012358546 562959802 /nfs/dbraw/zinc/95/98/02/562959802.db2.gz REPLEBPTHZQCFG-GDLZYMKVSA-N -1 0 476.569 6.448 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)CC[C@@H](C(=O)[O-])O2 ZINC000012358540 562959831 /nfs/dbraw/zinc/95/98/31/562959831.db2.gz DISPMSFQNOPWJO-MHZLTWQESA-N -1 0 462.542 6.058 1 0 JKAFRM CCCc1cc2c(oc(=O)n2CC2CC2)c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358593 562959847 /nfs/dbraw/zinc/95/98/47/562959847.db2.gz TUXKHWZQVHUZLX-VWLOTQADSA-N -1 0 465.590 6.238 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@@](CC)(C(=O)[O-])CC2 ZINC000012358552 562959852 /nfs/dbraw/zinc/95/98/52/562959852.db2.gz PSMAGJYUQUDBIP-SSEXGKCCSA-N -1 0 490.596 6.838 1 0 JKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2c(c1)O[C@@H](C(=O)[O-])CC2 ZINC000012358548 562959916 /nfs/dbraw/zinc/95/99/16/562959916.db2.gz DYNYHTZWMQNCJA-HHHXNRCGSA-N -1 0 476.569 6.448 1 0 JKAFRM O=C([O-])[C@@H](Cc1ccccc1)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cl)cc1Cl ZINC000012503777 562960359 /nfs/dbraw/zinc/96/03/59/562960359.db2.gz LAJJKGIZTCCOHY-OAQYLSRUSA-N -1 0 496.312 6.351 1 0 in-vivo JKAFRM CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000012726411 562960876 /nfs/dbraw/zinc/96/08/76/562960876.db2.gz CZWBKSDPBWNHGO-MYPRUECHSA-N -1 0 472.710 6.206 3 0 JKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cccc(Cl)c3c2O)cc1 ZINC000013440349 562962976 /nfs/dbraw/zinc/96/29/76/562962976.db2.gz BCEFOWAVZYKANB-UHFFFAOYSA-N -1 0 472.925 5.356 1 0 JKAFRM Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000013443159 562963778 /nfs/dbraw/zinc/96/37/78/562963778.db2.gz RCKKCRGFSNQVIE-FQEVSTJZSA-N -1 0 485.367 5.288 1 0 JKAFRM O=C([O-])[C@@H]1Cc2c(ncn2CCC2CCCCC2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013446801 562964228 /nfs/dbraw/zinc/96/42/28/562964228.db2.gz DZCVRJVSSZZIMQ-SANMLTNESA-N -1 0 471.601 5.024 1 0 JKAFRM O=C([O-])[C@H]1C[C@H](NC(=O)N(c2ccccc2)c2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455305 562964985 /nfs/dbraw/zinc/96/49/85/562964985.db2.gz OAJRZAZPPHZOAF-VQTJNVASSA-N -1 0 456.329 5.851 1 0 JKAFRM COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC000013470558 562965382 /nfs/dbraw/zinc/96/53/82/562965382.db2.gz QPWDZBBZIVDASP-VQHVLOKHSA-N -1 0 466.386 5.490 1 0 JKAFRM CCCOc1cccc2c1C(c1ccc(OC)cc1)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000013473374 562966205 /nfs/dbraw/zinc/96/62/05/562966205.db2.gz ZDHMBKZMQKNKQL-AREMUKBSSA-N -1 0 460.482 5.233 1 0 JKAFRM CCCCOc1ccc2c(c1)C(c1ccc(OC)cc1)=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2 ZINC000013473381 562966227 /nfs/dbraw/zinc/96/62/27/562966227.db2.gz YUHAWTTVGHOZRZ-MHZLTWQESA-N -1 0 474.509 5.623 1 0 JKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1ccc(OC)cc1)O2 ZINC000013473423 562966289 /nfs/dbraw/zinc/96/62/89/562966289.db2.gz RYEDGFHAPFVCCP-MHZLTWQESA-N -1 0 474.509 5.623 1 0 JKAFRM COc1cccc(C2=C(C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)c1 ZINC000013473476 562966294 /nfs/dbraw/zinc/96/62/94/562966294.db2.gz MFAYCZLPZCCFHS-SANMLTNESA-N -1 0 460.482 5.231 1 0 JKAFRM CC1(C)C(=O)[N-]C(=O)c2c3nc(Nc4c(Cl)c(Cl)cc(Cl)c4Cl)[nH]c3ccc21 ZINC000013475188 562966896 /nfs/dbraw/zinc/96/68/96/562966896.db2.gz HYLPGFVCHCLZKX-UHFFFAOYSA-N -1 0 458.132 5.468 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1C=C1CCN(C(=O)C(C2CCCCC2)C2CCCCC2)CC1 ZINC000013475207 562966970 /nfs/dbraw/zinc/96/69/70/562966970.db2.gz PPTBYXIZFATLSU-UHFFFAOYSA-N -1 0 453.623 6.176 1 0 JKAFRM Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000013487471 562967749 /nfs/dbraw/zinc/96/77/49/562967749.db2.gz RHSZDXDGDXONHC-UHFFFAOYSA-N -1 0 464.930 6.066 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccccc1CCC(=O)[O-] ZINC000013488262 562968234 /nfs/dbraw/zinc/96/82/34/562968234.db2.gz YDLAEFLPWVIEGS-UHFFFAOYSA-N -1 0 459.542 6.312 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1cccc(CCC(=O)[O-])c1 ZINC000013488260 562968235 /nfs/dbraw/zinc/96/82/35/562968235.db2.gz ZGQPKUCHZRPIDJ-UHFFFAOYSA-N -1 0 459.542 6.312 1 0 JKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1cccc(CCC(=O)[O-])c1 ZINC000013488261 562968255 /nfs/dbraw/zinc/96/82/55/562968255.db2.gz DQINTDUSYVMMHS-UHFFFAOYSA-N -1 0 473.569 6.703 1 0 JKAFRM O=C(Nc1ccc(Cl)cc1)Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F ZINC000013489802 562968897 /nfs/dbraw/zinc/96/88/97/562968897.db2.gz LSKGLHLOMINOAS-UHFFFAOYSA-N -1 0 462.777 6.449 1 0 JKAFRM CCCc1cc(Oc2ccc(C)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000013489935 562969115 /nfs/dbraw/zinc/96/91/15/562969115.db2.gz QFWDTTPJNPLQRE-AREMUKBSSA-N -1 0 491.609 6.612 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521263 562970889 /nfs/dbraw/zinc/97/08/89/562970889.db2.gz OMCCGYMNFCTGMB-FYYDJTTQSA-N -1 0 479.642 5.751 1 0 JKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3[nH]c4ccccc4c3c2)[C@@H]2CC[C@H]1C2 ZINC000013521295 562970957 /nfs/dbraw/zinc/97/09/57/562970957.db2.gz XVEBKQZKIBCUGI-DUMHOLGYSA-N -1 0 466.603 5.215 1 0 JKAFRM CCCCCn1cncc1CNc1ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c2ccccc2)c1 ZINC000013533179 562972348 /nfs/dbraw/zinc/97/23/48/562972348.db2.gz UOIVWABJQYXJID-VWLOTQADSA-N -1 0 494.661 5.289 1 0 JKAFRM CC1(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@@H]1O ZINC000013545512 562973125 /nfs/dbraw/zinc/97/31/25/562973125.db2.gz WTYUUMRZSINYLI-UIAAZXEVSA-N -1 0 472.710 6.204 3 0 JKAFRM Cc1cc(Cl)ccc1C(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013553341 562973226 /nfs/dbraw/zinc/97/32/26/562973226.db2.gz USAPHJIFUDXNQZ-QFIPXVFZSA-N -1 0 486.793 5.749 1 0 JKAFRM O=C([O-])c1ccc(CNc2ccc3c(cccc3COc3ccc(Br)cc3)c2)cc1 ZINC000013560103 562975299 /nfs/dbraw/zinc/97/52/99/562975299.db2.gz BBZJDFRWBQBJML-UHFFFAOYSA-N -1 0 462.343 6.492 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(-c3ncco3)cc2C)c1Cl ZINC000013560318 562975301 /nfs/dbraw/zinc/97/53/01/562975301.db2.gz VDNHFRIBVSEFJN-UHFFFAOYSA-N -1 0 492.966 5.023 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(Cl)c2CC(=O)[O-])cc1 ZINC000013560855 562975416 /nfs/dbraw/zinc/97/54/16/562975416.db2.gz QYVRWLDBYHDUGQ-UHFFFAOYSA-N -1 0 484.987 6.155 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(N(C)C)c2C(=O)[O-])cc1 ZINC000013560851 562975455 /nfs/dbraw/zinc/97/54/55/562975455.db2.gz CURMEZDKTSBASE-UHFFFAOYSA-N -1 0 479.584 5.638 1 0 JKAFRM CCCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3nc(N)c2C(=O)[O-])cc1 ZINC000013560866 562975492 /nfs/dbraw/zinc/97/54/92/562975492.db2.gz PZVBQYULRFJDGY-UHFFFAOYSA-N -1 0 479.584 5.935 1 0 JKAFRM CC[C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000013583031 562975933 /nfs/dbraw/zinc/97/59/33/562975933.db2.gz FXSZWORHPHJRAW-QFIWOQRVSA-N -1 0 472.670 5.035 1 0 JKAFRM CC[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000013583034 562975979 /nfs/dbraw/zinc/97/59/79/562975979.db2.gz FXSZWORHPHJRAW-DPULPPKLSA-N -1 0 472.670 5.035 1 0 JKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(C(C)=O)c1OC ZINC000013600110 562978270 /nfs/dbraw/zinc/97/82/70/562978270.db2.gz ZVVCSBSDFGYRCB-RUZDIDTESA-N -1 0 484.589 5.429 1 0 investigational JKAFRM O=C([O-])c1ccc2c(c1)n(CC(=O)NCC1CC1)c(-c1ccc(Cl)cc1)c2C1CCCCC1 ZINC000013646587 562980768 /nfs/dbraw/zinc/98/07/68/562980768.db2.gz RSTWMCCXMRBAME-UHFFFAOYSA-N -1 0 464.993 6.234 1 0 JKAFRM CC(C)N(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000013646585 562980804 /nfs/dbraw/zinc/98/08/04/562980804.db2.gz SXRHCXFOKLFMGE-UHFFFAOYSA-N -1 0 467.009 6.574 1 0 JKAFRM CCCC(SCCc1c(CO)oc2c1cccc2OCC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000013671560 562982473 /nfs/dbraw/zinc/98/24/73/562982473.db2.gz GDKUAZTYZWITOB-UHFFFAOYSA-N -1 0 490.621 6.408 1 0 JKAFRM CC(SCCc1c(CCCO)oc2c1cccc2OCC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000013671566 562982554 /nfs/dbraw/zinc/98/25/54/562982554.db2.gz LNTABHGFMNMMDA-UHFFFAOYSA-N -1 0 490.621 6.061 1 0 JKAFRM Cc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)[O-])c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 ZINC000013674719 562983109 /nfs/dbraw/zinc/98/31/09/562983109.db2.gz CQBPOKFLLSPKGU-UHFFFAOYSA-N -1 0 497.639 6.793 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc2ccn(CC(=O)[O-])c2c1 ZINC000013677962 562983640 /nfs/dbraw/zinc/98/36/40/562983640.db2.gz KIWYETLFYLUZPT-UHFFFAOYSA-N -1 0 476.451 5.686 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013677958 562983642 /nfs/dbraw/zinc/98/36/42/562983642.db2.gz GVSXYCPBNPXKCS-UHFFFAOYSA-N -1 0 476.451 5.686 1 0 JKAFRM Cc1c(CCOc2cccc(C(=O)[O-])c2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678412 562983712 /nfs/dbraw/zinc/98/37/12/562983712.db2.gz MYLURQNDWDKUST-UHFFFAOYSA-N -1 0 496.006 7.561 1 0 JKAFRM O=C([O-])c1ccc(OCCc2cn(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1 ZINC000013678388 562983740 /nfs/dbraw/zinc/98/37/40/562983740.db2.gz DLYDJPUMXHFHLR-UHFFFAOYSA-N -1 0 481.979 7.252 1 0 JKAFRM O=C([O-])c1cccc(C[C@H](O)Cc2cn(C(c3ccccc3)c3ccccc3)c3cc(Cl)ccc23)c1 ZINC000013678380 562983761 /nfs/dbraw/zinc/98/37/61/562983761.db2.gz NYZSJFUJUXWHFH-MHZLTWQESA-N -1 0 496.006 6.777 1 0 JKAFRM CCCc1c2occ(-c3ccccc3)c2ccc1OCCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013678010 562983772 /nfs/dbraw/zinc/98/37/72/562983772.db2.gz CRYGGVRSHOUCTH-UHFFFAOYSA-N -1 0 483.564 6.940 1 0 JKAFRM O=C([O-])c1ccc(C(=O)c2ccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)cc2)cc1 ZINC000013679777 562984039 /nfs/dbraw/zinc/98/40/39/562984039.db2.gz JISJZWXKAKZZER-UHFFFAOYSA-N -1 0 468.349 6.232 1 0 JKAFRM CC(C)C(=O)Nc1cc2c(cc1CCc1cccc3ccccc31)[C@@H](C(=O)[O-])C[C@H]2c1cccs1 ZINC000013679510 562984069 /nfs/dbraw/zinc/98/40/69/562984069.db2.gz JPSNFQFECJIVDG-FTJBHMTQSA-N -1 0 483.633 6.985 1 0 JKAFRM CCCCCCc1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c([O-])c12 ZINC000013680073 562984087 /nfs/dbraw/zinc/98/40/87/562984087.db2.gz MNBLFRBFZLPHFR-UHFFFAOYSA-N -1 0 453.991 7.531 1 0 JKAFRM CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013681501 562984158 /nfs/dbraw/zinc/98/41/58/562984158.db2.gz USVDKVGSRMENDJ-UHFFFAOYSA-N -1 0 489.543 5.896 1 0 JKAFRM O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3cc([C@@H](O)c4ccccc4)ccc31)c1ccccc1CO2 ZINC000013727124 562984990 /nfs/dbraw/zinc/98/49/90/562984990.db2.gz AEKGHOUHXTWVTG-CRLGGPQASA-N -1 0 488.543 5.841 1 0 JKAFRM CCCCc1ncc(/C=C(\Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000013728134 562985041 /nfs/dbraw/zinc/98/50/41/562985041.db2.gz WUNAGXZZIQAIEW-QGOAFFKASA-N -1 0 477.819 6.945 1 0 JKAFRM O=C([O-])CC[C@H](CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)CCCc1cccnc1 ZINC000013730339 562985120 /nfs/dbraw/zinc/98/51/20/562985120.db2.gz ZELQCTQPUZUIFX-GOSISDBHSA-N -1 0 486.556 5.053 1 0 JKAFRM O=C([O-])CC[C@@H](CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1 ZINC000013730349 562985124 /nfs/dbraw/zinc/98/51/24/562985124.db2.gz JPHQOWRMODKXHU-NRFANRHFSA-N -1 0 468.619 5.187 1 0 JKAFRM O=C([O-])C[C@@H](CCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCc1cccnc1 ZINC000013730320 562985128 /nfs/dbraw/zinc/98/51/28/562985128.db2.gz LLVGIQPXEAVYCC-IBGZPJMESA-N -1 0 467.031 5.078 1 0 JKAFRM C[C@H](CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000013729821 562985132 /nfs/dbraw/zinc/98/51/32/562985132.db2.gz LKWMUZSBLQRLJV-MRXNPFEDSA-N -1 0 453.922 6.068 1 0 JKAFRM O=C([O-])CC[C@H](CCCCNS(=O)(=O)c1ccc2ccccc2c1)CCCc1cccnc1 ZINC000013730352 562985140 /nfs/dbraw/zinc/98/51/40/562985140.db2.gz JPHQOWRMODKXHU-OAQYLSRUSA-N -1 0 468.619 5.187 1 0 JKAFRM O=C([O-])[C@@H](CCCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCCc1cccnc1 ZINC000013730326 562985157 /nfs/dbraw/zinc/98/51/57/562985157.db2.gz STCLXOXMNLDBJD-NRFANRHFSA-N -1 0 481.058 5.468 1 0 JKAFRM O=C([O-])C[C@H](CCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCc1cccnc1 ZINC000013730323 562985163 /nfs/dbraw/zinc/98/51/63/562985163.db2.gz LLVGIQPXEAVYCC-LJQANCHMSA-N -1 0 467.031 5.078 1 0 JKAFRM CCCCC(=O)Nc1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)c2c1 ZINC000013732053 562985324 /nfs/dbraw/zinc/98/53/24/562985324.db2.gz UDNCFCSUOHOBDK-UHFFFAOYSA-N -1 0 483.612 6.921 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(ccn2C(=O)c2ccccc2C(=O)[O-])c1 ZINC000013732367 562985357 /nfs/dbraw/zinc/98/53/57/562985357.db2.gz NWCXGMGNFHGHFQ-UHFFFAOYSA-N -1 0 452.514 5.000 1 0 JKAFRM O=C([O-])CCCC[C@H](c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733231 562985569 /nfs/dbraw/zinc/98/55/69/562985569.db2.gz OXTRWYUMANEPHR-XMMPIXPASA-N -1 0 487.021 5.033 1 0 JKAFRM CCCc1c(CCC(=O)[O-])cccc1OCCCOc1cc(O)c(-c2cc[nH]n2)cc1CC ZINC000013738051 562986447 /nfs/dbraw/zinc/98/64/47/562986447.db2.gz QOBONSZOWLLZIW-UHFFFAOYSA-N -1 0 452.551 5.162 1 0 JKAFRM CCCCCCn1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742319 562987347 /nfs/dbraw/zinc/98/73/47/562987347.db2.gz RQGVSNZASZXUEU-XUTLUUPISA-N -1 0 462.590 6.507 1 0 JKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2Cc2cccc(C)c2)c1 ZINC000013742348 562987369 /nfs/dbraw/zinc/98/73/69/562987369.db2.gz DPSCIBAKDQNHSU-RELWKKBWSA-N -1 0 482.580 6.284 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2ccncc2)c1-3 ZINC000013742696 562987568 /nfs/dbraw/zinc/98/75/68/562987568.db2.gz XNLAYFRZRBRIEL-UHFFFAOYSA-N -1 0 490.647 7.411 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(-c2cccnc2)c1-3 ZINC000013742695 562987587 /nfs/dbraw/zinc/98/75/87/562987587.db2.gz BEYSZOLVRPEUBH-UHFFFAOYSA-N -1 0 476.620 7.352 1 0 JKAFRM CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(OC)c1CCC(=O)[O-] ZINC000013744126 562987807 /nfs/dbraw/zinc/98/78/07/562987807.db2.gz QSUIWWGTFAMTIF-UHFFFAOYSA-N -1 0 468.521 5.634 1 0 JKAFRM Cc1ccccc1S(=O)(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744975 562987904 /nfs/dbraw/zinc/98/79/04/562987904.db2.gz AYZGBDUXVJCUNJ-RUZDIDTESA-N -1 0 493.625 5.656 1 0 JKAFRM CCCCc1ncn(Cc2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013744576 562987940 /nfs/dbraw/zinc/98/79/40/562987940.db2.gz TXRKQWRDARCLEV-UHFFFAOYSA-N -1 0 452.554 5.590 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000013747425 562988359 /nfs/dbraw/zinc/98/83/59/562988359.db2.gz PEXUMEOFWZTPAR-UHFFFAOYSA-N -1 0 479.646 6.002 1 0 JKAFRM CCCCCCN(CCCCCC)S(=O)(=O)[N-]C(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000013747456 562988374 /nfs/dbraw/zinc/98/83/74/562988374.db2.gz JFQJMFYZXFSZPL-UHFFFAOYSA-N -1 0 468.704 6.729 1 0 JKAFRM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)N(c1ccccc1)c1ccccc1 ZINC000013747458 562988377 /nfs/dbraw/zinc/98/83/77/562988377.db2.gz UDUGRUKVLUVAMQ-UHFFFAOYSA-N -1 0 452.576 6.105 1 0 JKAFRM CCCCCN(CCCCC)S(=O)(=O)[N-]C(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000013747489 562988458 /nfs/dbraw/zinc/98/84/58/562988458.db2.gz XYIFPPLKFDMWPH-UHFFFAOYSA-N -1 0 482.731 6.606 1 0 JKAFRM COc1cc(C(C)C)c(OC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 ZINC000013747620 562988473 /nfs/dbraw/zinc/98/84/73/562988473.db2.gz QIHYMVOTIMMRSH-UHFFFAOYSA-N -1 0 491.650 6.601 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(/C=C/C(=O)[O-])cc2c(Oc3ccccc3)cccc12 ZINC000013758729 562989115 /nfs/dbraw/zinc/98/91/15/562989115.db2.gz NOWKIYOAMVHUKK-FOCLMDBBSA-N -1 0 465.549 5.974 1 0 JKAFRM O=C([O-])/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccc(F)cc1 ZINC000013758987 562989118 /nfs/dbraw/zinc/98/91/18/562989118.db2.gz ACPSEHAVKXKSLF-PKNBQFBNSA-N -1 0 478.372 6.539 1 0 JKAFRM CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1 ZINC000013760706 562989588 /nfs/dbraw/zinc/98/95/88/562989588.db2.gz OMFGOOBBWMNOHG-UHFFFAOYSA-N -1 0 482.540 5.636 1 0 JKAFRM CC(C)[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761711 562990149 /nfs/dbraw/zinc/99/01/49/562990149.db2.gz FDBMQZFGLNMCLV-DEOSSOPVSA-N -1 0 499.604 5.732 1 0 JKAFRM CCCc1ccc(O[C@H](C)c2ccc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)cc2)cc1 ZINC000013761805 562990235 /nfs/dbraw/zinc/99/02/35/562990235.db2.gz IVYWSSLSZIOHAO-OAQYLSRUSA-N -1 0 469.581 6.830 1 0 JKAFRM CCCN1c2ccccc2C(c2ccc(C(=O)[O-])cc2)=Nc2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000013775906 562990854 /nfs/dbraw/zinc/99/08/54/562990854.db2.gz FUXKFHUOKKOJIP-UHFFFAOYSA-N -1 0 466.625 7.764 1 0 JKAFRM CCCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)[O-])c3cccnc3)cc2)n1 ZINC000013782514 562992647 /nfs/dbraw/zinc/99/26/47/562992647.db2.gz PMZRHVZFESEBFJ-AUEPDCJTSA-N -1 0 461.562 5.733 1 0 JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]4(C)[C@@]3(C)CC[C@@H]2C1(C)C ZINC000013783659 562992865 /nfs/dbraw/zinc/99/28/65/562992865.db2.gz RIXNFYQZWDGQAE-OKUJXVLASA-N -1 0 498.748 7.804 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1ccc(NCc2ccccn2)cc1-c1cccc2ccccc21)C(=O)[O-] ZINC000013796737 562993204 /nfs/dbraw/zinc/99/32/04/562993204.db2.gz CXCXBXSZFZAHTG-MHZLTWQESA-N -1 0 467.569 5.743 1 0 JKAFRM Cc1ccc(/C=C/COC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000013799584 562993727 /nfs/dbraw/zinc/99/37/27/562993727.db2.gz ZHXNJGISXVIIND-IEGRTHAJSA-N -1 0 494.591 5.908 1 0 JKAFRM O=C([O-])CCCc1ccc(NC(=O)Cc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc2)cc1 ZINC000013804887 562995001 /nfs/dbraw/zinc/99/50/01/562995001.db2.gz SEQHITCRNMCEMH-UHFFFAOYSA-N -1 0 488.971 6.056 1 0 JKAFRM CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000013806750 562995268 /nfs/dbraw/zinc/99/52/68/562995268.db2.gz ICVRBTXDPNIJMU-WJOKGBTCSA-N -1 0 490.599 8.184 1 0 JKAFRM CCCCc1nc(Cl)c(CNC(=O)OC)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013823696 562998043 /nfs/dbraw/zinc/99/80/43/562998043.db2.gz DJMIUOCUWPWHMV-UHFFFAOYSA-N -1 0 455.942 5.149 1 0 JKAFRM Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c([C@H](c2ccc(F)cc2)C2CCCCC2)c1 ZINC000013824720 562998193 /nfs/dbraw/zinc/99/81/93/562998193.db2.gz GVKPCBGAXFCUON-UMFSSWHCSA-N -1 0 458.570 5.120 1 0 JKAFRM CCCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)[O-])cc2)c2ccc(C(C)C)ccc1-2 ZINC000013826245 562998437 /nfs/dbraw/zinc/99/84/37/562998437.db2.gz VTLXHLBBBHSDOW-UHFFFAOYSA-N -1 0 483.630 5.242 1 0 JKAFRM CC(C)c1ccc2c(CCCCNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc(C(=O)[O-])c-2cc1 ZINC000013826318 562998506 /nfs/dbraw/zinc/99/85/06/562998506.db2.gz UCUWONPFZNDIGY-UHFFFAOYSA-N -1 0 493.547 5.933 1 0 JKAFRM CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C(=O)[O-] ZINC000013827803 562998784 /nfs/dbraw/zinc/99/87/84/562998784.db2.gz HEFXXHNAGNQXSL-UHFFFAOYSA-N -1 0 464.566 5.338 1 0 JKAFRM CC[C@@H](C)c1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832269 562999607 /nfs/dbraw/zinc/99/96/07/562999607.db2.gz GNEUXAAUDSOSCG-MRXNPFEDSA-N -1 0 452.518 5.143 1 0 JKAFRM CC(C)c1nc(-c2ccc(F)cc2)c(-c2cccc(Cl)c2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013833958 563000743 /nfs/dbraw/zinc/00/07/43/563000743.db2.gz FRHFGOPVPWQXEF-VRDGUJSXSA-N -1 0 472.944 5.190 1 0 JKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](C/C=C/c1ccccc1)CCC2 ZINC000013834020 563000784 /nfs/dbraw/zinc/00/07/84/563000784.db2.gz QZJVEPQVGOLRDL-PKOBKPNXSA-N -1 0 490.575 5.135 1 0 JKAFRM O=C([O-])COc1cccc(-c2ocnc2-c2nc(-c3ccsc3)c(-c3ccsc3)o2)c1 ZINC000013834190 563000834 /nfs/dbraw/zinc/00/08/34/563000834.db2.gz MXFQHTUTTRCIJS-UHFFFAOYSA-N -1 0 450.497 5.917 1 0 JKAFRM O=C([O-])COc1cccc(C[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)o2)c2ccccc2)c1 ZINC000013834159 563000848 /nfs/dbraw/zinc/00/08/48/563000848.db2.gz MJEBYHBHBXYDDJ-MHZLTWQESA-N -1 0 475.544 6.847 1 0 JKAFRM Cc1ccc(-c2nc(-c3ncoc3-c3cccc(OCC(=O)[O-])c3)oc2-c2ccc(C)cc2)cc1 ZINC000013834191 563000885 /nfs/dbraw/zinc/00/08/85/563000885.db2.gz YMVHYJZCWLKIDM-UHFFFAOYSA-N -1 0 466.493 6.411 1 0 JKAFRM CCCCc1nc2ccc(C)cc2c(=O)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000013892694 563004317 /nfs/dbraw/zinc/00/43/17/563004317.db2.gz WAZHPOHPQXBJKI-AREMUKBSSA-N -1 0 456.542 5.301 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC[C@@H]2CCn1cc(C(c2ccccc2)c2ccccc2)cn1 ZINC000013902564 563004367 /nfs/dbraw/zinc/00/43/67/563004367.db2.gz TUIWEMPPYBITOW-JOCHJYFZSA-N -1 0 466.581 6.037 1 0 JKAFRM COc1cccc(OC)c1C(=O)C[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(C(=O)[O-])c1 ZINC000013907047 563004489 /nfs/dbraw/zinc/00/44/89/563004489.db2.gz RFSLATSIDGTWRY-LJQANCHMSA-N -1 0 466.917 5.685 1 0 JKAFRM CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000013973809 563004815 /nfs/dbraw/zinc/00/48/15/563004815.db2.gz FPFPBJJEDIYYGK-QFIPXVFZSA-N -1 0 451.544 5.518 1 0 JKAFRM CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000013976328 563005063 /nfs/dbraw/zinc/00/50/63/563005063.db2.gz LIYMSLCFOJXHRD-LLVKDONJSA-N -1 0 485.414 5.250 1 0 JKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1 ZINC000013981013 563005237 /nfs/dbraw/zinc/00/52/37/563005237.db2.gz NYYTUEOWARPYTL-OAQYLSRUSA-N -1 0 474.859 5.297 1 0 JKAFRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCc2c3ccccc3n(Cc3ccc(O)cc3)c2C1 ZINC000014946255 563006812 /nfs/dbraw/zinc/00/68/12/563006812.db2.gz PPPBRGPIVUKXKS-UHFFFAOYSA-N -1 0 467.352 5.606 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2ccn(Cc3ccc(CCC(=O)[O-])cc3)n2)cc1 ZINC000014963371 563008549 /nfs/dbraw/zinc/00/85/49/563008549.db2.gz SNUVKRNTJYMXOK-UHFFFAOYSA-N -1 0 454.530 5.568 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cnn(Cc3ccc(CCC(=O)[O-])cc3)c2)cc1 ZINC000014963385 563008559 /nfs/dbraw/zinc/00/85/59/563008559.db2.gz PMEAVLJPQNCBGW-UHFFFAOYSA-N -1 0 454.530 5.568 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1ccccc1 ZINC000014963599 563008656 /nfs/dbraw/zinc/00/86/56/563008656.db2.gz TYCBCXLVOZIZMM-QFIPXVFZSA-N -1 0 465.336 5.634 1 0 JKAFRM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)cc1Br ZINC000014969190 563009482 /nfs/dbraw/zinc/00/94/82/563009482.db2.gz MXHYBOCRTUHWOD-SNVBAGLBSA-N -1 0 475.166 6.160 1 0 JKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3C(F)(F)F)c2)c(Cl)c1 ZINC000014969216 563009518 /nfs/dbraw/zinc/00/95/18/563009518.db2.gz HLQWEKCWYZMMLL-UHFFFAOYSA-N -1 0 457.231 6.804 1 0 JKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(C(=O)NCCc3ccccc3)c2)c(Cl)c1 ZINC000014969350 563009542 /nfs/dbraw/zinc/00/95/42/563009542.db2.gz JWLVVPFLXSEKNK-UHFFFAOYSA-N -1 0 460.313 5.091 1 0 JKAFRM Cc1cccc2c1ncc(Cc1ccccc1)c2-c1cccc(NCc2ccc(CC(=O)[O-])cc2)c1 ZINC000014972537 563009866 /nfs/dbraw/zinc/00/98/66/563009866.db2.gz FVKYONNSLLCHIF-UHFFFAOYSA-N -1 0 472.588 7.040 1 0 JKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 ZINC000014974396 563010200 /nfs/dbraw/zinc/01/02/00/563010200.db2.gz PMXGIZSRXMYXOR-NHCUHLMSSA-N -1 0 496.485 6.700 1 0 JKAFRM O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4nc5c(s4)CCCC5)cc3)ccc21 ZINC000014977153 563010514 /nfs/dbraw/zinc/01/05/14/563010514.db2.gz NTVBAWSNQRKVKF-FQEVSTJZSA-N -1 0 463.599 6.041 1 0 JKAFRM CCCc1cc(-c2nc3c(s2)CCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977146 563010539 /nfs/dbraw/zinc/01/05/39/563010539.db2.gz FQTHEIJACHCXRP-FQEVSTJZSA-N -1 0 491.653 6.604 1 0 JKAFRM CCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])c(OC)c2)n1 ZINC000014977121 563010558 /nfs/dbraw/zinc/01/05/58/563010558.db2.gz YVTAAESLMBHKDQ-SFHVURJKSA-N -1 0 467.587 5.734 1 0 JKAFRM CC(C)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1n[n-]c(=S)n1-c1ccccc1 ZINC000017217454 563013899 /nfs/dbraw/zinc/01/38/99/563013899.db2.gz RDHPZJKDACQRHG-DEOSSOPVSA-N -1 0 483.666 7.476 1 0 JKAFRM CCCc1cc(Oc2ccc(C(=O)[O-])cc2)ccc1OCCCOc1cc(O)c(C(C)=O)cc1CC ZINC000026151470 563022434 /nfs/dbraw/zinc/02/24/34/563022434.db2.gz HYETVDIGHNEOCT-UHFFFAOYSA-N -1 0 492.568 6.448 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(OC3CC3)c2C)c1Cl ZINC000026152253 563022470 /nfs/dbraw/zinc/02/24/70/563022470.db2.gz OOIWVYXBKHBFHT-UHFFFAOYSA-N -1 0 496.010 5.217 1 0 JKAFRM CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](OS(=O)(=O)[O-])[C@H](C)CCCc1ccoc1 ZINC000026154966 563022516 /nfs/dbraw/zinc/02/25/16/563022516.db2.gz HXCWHJGIRYQQDZ-OXGLLWLOSA-N -1 0 452.657 6.615 1 0 JKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 ZINC000026183936 563023955 /nfs/dbraw/zinc/02/39/55/563023955.db2.gz SHRNOBNPOTZEAM-RMZINKPKSA-N -1 0 473.638 6.939 1 0 JKAFRM CN(CCOc1ccc(C[C@H](C/C=C/c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000026185582 563024081 /nfs/dbraw/zinc/02/40/81/563024081.db2.gz HIOGKGJVAZVWCL-KXOMFBTKSA-N -1 0 456.542 5.690 1 0 JKAFRM CN(CCOc1ccc(C[C@H](CCCCc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000026253318 563024546 /nfs/dbraw/zinc/02/45/46/563024546.db2.gz HEMGBLAISIVJMU-DEOSSOPVSA-N -1 0 472.585 5.999 1 0 JKAFRM O=C([O-])Cc1ccccc1OCC[C@H]1CN(c2ccc(Cl)c(Cl)c2)c2ccccc2O1 ZINC000026402773 563027653 /nfs/dbraw/zinc/02/76/53/563027653.db2.gz AFUHQGNPUYNDGM-SFHVURJKSA-N -1 0 458.341 5.989 1 0 JKAFRM CCCCOc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)[C@@H](CC)CCCC)cc21 ZINC000026489676 563028494 /nfs/dbraw/zinc/02/84/94/563028494.db2.gz WGQTVDVVOFEGSV-FQEVSTJZSA-N -1 0 464.606 6.722 1 0 JKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3c(OC)cc(C(=O)[O-])cc3OC)c2c1 ZINC000026491007 563028523 /nfs/dbraw/zinc/02/85/23/563028523.db2.gz SDMOUFWDEAECEL-KRWDZBQOSA-N -1 0 452.551 5.560 1 0 JKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])c(Br)c3)c2c1 ZINC000026492588 563028575 /nfs/dbraw/zinc/02/85/75/563028575.db2.gz DRDXENCSCKMRSJ-QGZVFWFLSA-N -1 0 471.395 6.305 1 0 JKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCCCCC(=O)[O-] ZINC000026570221 563029963 /nfs/dbraw/zinc/02/99/63/563029963.db2.gz IAQZKDQBUKXOIW-FGZHOGPDSA-N -1 0 468.594 5.180 1 0 JKAFRM O=C(COc1ccc(SCCCCc2ccccc2)cc1)COc1ccc(C(=O)[O-])cc1 ZINC000026574512 563030289 /nfs/dbraw/zinc/03/02/89/563030289.db2.gz YXFPCSKQERAOAU-UHFFFAOYSA-N -1 0 450.556 5.527 1 0 JKAFRM CN(C)c1ccc(-c2nc(-c3ccc(/C=C/C(=O)[O-])cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026578326 563031119 /nfs/dbraw/zinc/03/11/19/563031119.db2.gz LQJSRUJAKAAVNH-CNHKJKLMSA-N -1 0 452.558 5.641 1 0 JKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2-c2ccc(CCC(C)C)cc2)c1Br ZINC000026579101 563031212 /nfs/dbraw/zinc/03/12/12/563031212.db2.gz ZEXCTKKHUJWXNG-UHFFFAOYSA-N -1 0 469.426 5.863 1 0 JKAFRM C/C(=C\C(=O)[O-])c1ccc2scc(-c3cc(C(C)C)cc(C(C)C)c3OCCCF)c2c1 ZINC000026658599 563032595 /nfs/dbraw/zinc/03/25/95/563032595.db2.gz XRDUYAHKXLABIN-WOJGMQOQSA-N -1 0 454.607 8.041 1 0 JKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)[nH]c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667446 563033144 /nfs/dbraw/zinc/03/31/44/563033144.db2.gz QYOPGSAXHNKRFZ-QGZVFWFLSA-N -1 0 472.610 6.499 1 0 JKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cn1cccc(C(c3ccccc3)c3ccccc3)c1=O)C2 ZINC000026669545 563033195 /nfs/dbraw/zinc/03/31/95/563033195.db2.gz DHBUQRRLILNTQN-QFIPXVFZSA-N -1 0 479.576 5.297 1 0 JKAFRM COc1ccc([C@H](c2ccc(O)c(C(C)C)c2)c2c(C)cc(OCC(=O)[O-])cc2C)c(OC)c1 ZINC000026718491 563033777 /nfs/dbraw/zinc/03/37/77/563033777.db2.gz MHJKWBHTJNHMDS-NDEPHWFRSA-N -1 0 464.558 5.793 1 0 JKAFRM O=C([O-])Cn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026741571 563034671 /nfs/dbraw/zinc/03/46/71/563034671.db2.gz WSRASIMVTFUGLY-MUUNZHRXSA-N -1 0 497.551 5.753 1 0 JKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026836213 563036544 /nfs/dbraw/zinc/03/65/44/563036544.db2.gz HVXZGBGQTQNZJL-SVAFSPIFSA-N -1 0 454.695 7.154 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(C(F)(F)F)cc1 ZINC000026841216 563036778 /nfs/dbraw/zinc/03/67/78/563036778.db2.gz LEZOGQIPZGNLHW-OUKQBFOZSA-N -1 0 486.968 6.847 1 0 JKAFRM O=S(=O)(/C=C/c1ccc(F)c(F)c1)[N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026845317 563037053 /nfs/dbraw/zinc/03/70/53/563037053.db2.gz CQSRWNSLQYMOJI-BUHFOSPRSA-N -1 0 454.523 6.168 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000026935810 563037478 /nfs/dbraw/zinc/03/74/78/563037478.db2.gz UQLXZIMZWXRENI-BUHFOSPRSA-N -1 0 466.550 6.502 1 0 JKAFRM O=S(=O)(/C=C/c1ccc(C(F)(F)F)cc1)[N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000026940001 563037671 /nfs/dbraw/zinc/03/76/71/563037671.db2.gz JPWCRQHCISEBOA-FOCLMDBBSA-N -1 0 486.540 6.909 1 0 JKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc(F)c(F)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026939034 563037685 /nfs/dbraw/zinc/03/76/85/563037685.db2.gz NXEBTKYYJHMTFH-FOCLMDBBSA-N -1 0 496.604 7.120 1 0 JKAFRM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000027089015 563039498 /nfs/dbraw/zinc/03/94/98/563039498.db2.gz KOQUAMAKIYUHPT-VWLOTQADSA-N -1 0 489.620 5.476 1 0 JKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1cccc(-c2cccnc2)c1 ZINC000027095341 563039713 /nfs/dbraw/zinc/03/97/13/563039713.db2.gz YULDWGGEIMOQCW-VOTSOKGWSA-N -1 0 452.297 5.887 1 0 JKAFRM CC/C(=C\Cn1oc(=O)[n-]c1=O)c1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000027100245 563039927 /nfs/dbraw/zinc/03/99/27/563039927.db2.gz WUVFFECPGGKGMQ-VGOFMYFVSA-N -1 0 488.384 5.652 1 0 JKAFRM CCc1c(CC(N)=O)c2c(OCCCC(=O)[O-])cccn2c1Cc1ccccc1-c1ccccc1 ZINC000027193241 563041074 /nfs/dbraw/zinc/04/10/74/563041074.db2.gz HYBJSDCHXNCKCO-UHFFFAOYSA-N -1 0 470.569 5.031 1 0 JKAFRM CCC1(CC)C(=O)N(C(=O)NCCCCCCc2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000027204659 563041621 /nfs/dbraw/zinc/04/16/21/563041621.db2.gz HVVVIISNVRPGCR-RUZDIDTESA-N -1 0 466.578 5.251 1 0 JKAFRM CCCc1cn(Cc2ccc(C(=O)[O-])cc2OC)c2cc(C(=O)NCC(CC)CC)ccc12 ZINC000027329741 563043172 /nfs/dbraw/zinc/04/31/72/563043172.db2.gz SUZZAFZXCNRRRO-UHFFFAOYSA-N -1 0 450.579 5.515 1 0 JKAFRM CN1c2ccccc2N=C(c2ccc(C(=O)[O-])cc2)c2cc(C34CC5CC(CC(C5)C3)C4)ccc21 ZINC000027422862 563043864 /nfs/dbraw/zinc/04/38/64/563043864.db2.gz IEDRPNYXPPPOEM-UHFFFAOYSA-N -1 0 462.593 7.103 1 0 JKAFRM C[S@](=O)c1cc(Cl)cc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1[O-] ZINC000027525595 563045494 /nfs/dbraw/zinc/04/54/94/563045494.db2.gz FAGDJFOESXFUBM-WJOKGBTCSA-N -1 0 473.982 5.667 1 0 JKAFRM CCC[C@H](CC)Nc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)[O-] ZINC000027549083 563045945 /nfs/dbraw/zinc/04/59/45/563045945.db2.gz OTAAXWMMBWBUQB-CKDFRHGISA-N -1 0 468.623 5.148 1 0 JKAFRM C/C(C(=O)Nc1ccccc1OCCCC(=O)[O-])=C(/C)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000027557375 563046540 /nfs/dbraw/zinc/04/65/40/563046540.db2.gz HLZOICSKHNTRKE-QURGRASLSA-N -1 0 482.580 6.365 1 0 JKAFRM CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=S)o[n-]2)cc1 ZINC000027560903 563046815 /nfs/dbraw/zinc/04/68/15/563046815.db2.gz HRRMKHNTCGBOJB-UHFFFAOYSA-N -1 0 498.608 6.220 1 0 JKAFRM CCOc1cc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCC2)ccc1C(=O)[O-] ZINC000027561937 563046883 /nfs/dbraw/zinc/04/68/83/563046883.db2.gz VXPYWDNKJNKVPV-UHFFFAOYSA-N -1 0 473.013 5.570 1 0 JKAFRM CCOc1cc(CC(=O)N[C@H](CC2CCCCC2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027562065 563046894 /nfs/dbraw/zinc/04/68/94/563046894.db2.gz ZKJHFYHKVSOUCZ-AREMUKBSSA-N -1 0 492.660 6.144 1 0 JKAFRM COc1cc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCC2)ccc1C(=O)[O-] ZINC000027561939 563046922 /nfs/dbraw/zinc/04/69/22/563046922.db2.gz VTUCBZINGKLUEF-UHFFFAOYSA-N -1 0 458.986 5.180 1 0 JKAFRM CCOc1cc(CC(=O)N[C@H](CC2CCC2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027562950 563046970 /nfs/dbraw/zinc/04/69/70/563046970.db2.gz YEIXREQHMPPDAF-XMMPIXPASA-N -1 0 464.606 5.364 1 0 JKAFRM CCOc1cc(CC(=O)N[C@H](CC2CCCC2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027562071 563047020 /nfs/dbraw/zinc/04/70/20/563047020.db2.gz FSTOLZDXNYEMSG-RUZDIDTESA-N -1 0 478.633 5.754 1 0 JKAFRM CC(C)c1sc(-c2ccccc2)c(-c2ccccc2F)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027637940 563047937 /nfs/dbraw/zinc/04/79/37/563047937.db2.gz HXUYZSBLSLAWGI-WTWCKAPFSA-N -1 0 454.563 5.944 1 0 JKAFRM COc1cc(C(=O)C[C@H](CC(=O)c2ccc(F)cc2)c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000027640318 563048043 /nfs/dbraw/zinc/04/80/43/563048043.db2.gz JHXDVXXVQPQNDO-IBGZPJMESA-N -1 0 480.488 5.179 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3ccccc3Cl)c(=O)c2C(=O)[O-])cc1 ZINC000027704005 563049428 /nfs/dbraw/zinc/04/94/28/563049428.db2.gz YSFXZYVBPAGSAQ-UHFFFAOYSA-N -1 0 459.885 5.823 1 0 JKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3ccccc3SC)c(=O)c2C(=O)[O-])cc1 ZINC000027705829 563049543 /nfs/dbraw/zinc/04/95/43/563049543.db2.gz MDJYYQCTOCRAHR-UHFFFAOYSA-N -1 0 471.534 5.892 1 0 JKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@@H](C)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027751453 563051237 /nfs/dbraw/zinc/05/12/37/563051237.db2.gz STLMIGJZAOXUKB-UWSIMGETSA-N -1 0 455.620 6.382 1 0 JKAFRM CSc1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c3cccnc3)O2)cc1 ZINC000027758314 563051412 /nfs/dbraw/zinc/05/14/12/563051412.db2.gz IXDVHMMYGBQKIG-NWCMJKHSSA-N -1 0 457.592 5.502 1 0 JKAFRM CC(C)(C)c1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c3cccnc3)O2)cc1 ZINC000027758358 563051424 /nfs/dbraw/zinc/05/14/24/563051424.db2.gz OAJFPHGBJOCPCZ-ICUMCZKMSA-N -1 0 467.606 6.078 1 0 JKAFRM COc1ccncc1/C=C/c1ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c2ccccc2C)c1 ZINC000027760701 563051481 /nfs/dbraw/zinc/05/14/81/563051481.db2.gz IFXSQDDDAIKBNZ-DRBUTMMVSA-N -1 0 476.598 5.172 1 0 JKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncc3ccccc23)cc1-c1ccccc1C)C(=O)[O-] ZINC000027767593 563051598 /nfs/dbraw/zinc/05/15/98/563051598.db2.gz ZGXXVZOEOVXKNI-LCIVRZSQSA-N -1 0 496.632 6.317 1 0 JKAFRM CCCc1c(OCc2ccc(C(=O)[O-])cc2OC)ccc(C(C)=O)c1NC(=O)c1ccccc1 ZINC000027883571 563052762 /nfs/dbraw/zinc/05/27/62/563052762.db2.gz QGXJNRBHQGXDML-UHFFFAOYSA-N -1 0 461.514 5.380 1 0 JKAFRM CCCc1c(OCc2ccc(C(=O)[O-])cc2OC)ccc2c(/C=C/c3ccccc3)cc(=O)oc21 ZINC000027977838 563053495 /nfs/dbraw/zinc/05/34/95/563053495.db2.gz BFQANLUJWTXWGC-ZHACJKMWSA-N -1 0 470.521 6.202 1 0 JKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(Br)cc3n2)c1)C(=O)[O-] ZINC000028022867 563055433 /nfs/dbraw/zinc/05/54/33/563055433.db2.gz ICYLDMBMBLPBFJ-UHFFFAOYSA-N -1 0 485.378 5.796 1 0 JKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC000028098799 563055972 /nfs/dbraw/zinc/05/59/72/563055972.db2.gz GKORLDUEXWMZDW-MNEFBYGVSA-N -1 0 492.468 6.695 1 0 JKAFRM O=C([O-])C[C@@H]1CCCc2c3cc(F)ccc3n(Cc3cccc(OCCC/C=C\c4cccnc4)c3)c21 ZINC000028104724 563056251 /nfs/dbraw/zinc/05/62/51/563056251.db2.gz WSFCJPZVQFMTRY-HCGLYYCZSA-N -1 0 498.598 6.991 1 0 JKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C(F)(F)F)cc3Cl)cc2O1 ZINC000028109335 563056386 /nfs/dbraw/zinc/05/63/86/563056386.db2.gz CLJITGDKQYRMGK-OAQYLSRUSA-N -1 0 458.860 5.765 1 0 JKAFRM Cc1c(Cc2ccccc2)c2cc(S(=O)(=O)[O-])ccc2n1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000028123161 563056924 /nfs/dbraw/zinc/05/69/24/563056924.db2.gz QQWOOSXMVYLBPZ-UHFFFAOYSA-N -1 0 481.573 6.143 1 0 JKAFRM COc1ccc2c(c1)c(Cc1ccccc1OC(C)(C)C(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028125293 563056942 /nfs/dbraw/zinc/05/69/42/563056942.db2.gz HIPJZUFYVANNKA-UHFFFAOYSA-N -1 0 491.971 6.133 1 0 JKAFRM COc1ccc2c(c1)c(Cc1ccc(OCC(=O)[O-])cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028130096 563057196 /nfs/dbraw/zinc/05/71/96/563057196.db2.gz YAGQPGVXBAGTLQ-UHFFFAOYSA-N -1 0 463.917 5.354 1 0 JKAFRM COc1ccc2c(c1)c(Cc1cccc(OC(C)(C)C(=O)[O-])c1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028130453 563057207 /nfs/dbraw/zinc/05/72/07/563057207.db2.gz NJQKVYQTUIWJEQ-UHFFFAOYSA-N -1 0 491.971 6.133 1 0 JKAFRM COc1ccc2c(c1)c(Cc1cccc(O[C@@H](C)C(=O)[O-])c1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028133569 563057506 /nfs/dbraw/zinc/05/75/06/563057506.db2.gz UZJIHIMYKLEBBQ-KRWDZBQOSA-N -1 0 477.944 5.743 1 0 JKAFRM CCC[C@@]1(CCC(=O)[O-])Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2C1=O ZINC000028229968 563058244 /nfs/dbraw/zinc/05/82/44/563058244.db2.gz NBZBRMBEAWOCAH-GDLZYMKVSA-N -1 0 458.554 6.235 1 0 JKAFRM CCCCc1ccc(C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000028252772 563059011 /nfs/dbraw/zinc/05/90/11/563059011.db2.gz ZLXPTAIWTWWWOV-UHFFFAOYSA-N -1 0 495.575 5.961 1 0 JKAFRM CC(C)c1ccc2c(c1)C(=O)N([C@H](C(=O)[O-])c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(=O)N2 ZINC000028333488 563059729 /nfs/dbraw/zinc/05/97/29/563059729.db2.gz FSGBJNDTAIPOPY-GOTSBHOMSA-N -1 0 497.378 6.078 1 0 JKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(OCc3cccc(F)c3)cc2)C2CCCCC2)s1 ZINC000028341270 563060444 /nfs/dbraw/zinc/06/04/44/563060444.db2.gz YSYNYEBZAPMJAO-UHFFFAOYSA-N -1 0 454.523 5.539 1 0 JKAFRM Cc1cccc(/C=C/[C@@H](O)c2ccccc2/C=C/C(=O)[O-])c1OCc1c(Cl)cccc1Cl ZINC000028342372 563060505 /nfs/dbraw/zinc/06/05/05/563060505.db2.gz ABHDIPZJDPNXNR-IGGPBJAASA-N -1 0 469.364 6.725 1 0 JKAFRM Cc1cccc(/C=C/Cc2ccccc2/C=C/C(=O)[O-])c1OCc1c(Cl)cccc1Cl ZINC000028342437 563060569 /nfs/dbraw/zinc/06/05/69/563060569.db2.gz DOPKEMLQPPMASL-RHYYYUDTSA-N -1 0 453.365 7.235 1 0 JKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028342493 563060571 /nfs/dbraw/zinc/06/05/71/563060571.db2.gz BGVUXEXHNXDISI-PMACEKPBSA-N -1 0 489.742 5.608 1 0 JKAFRM COc1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@H](C(=O)[O-])C3)c2)cc1C(F)(F)F ZINC000028349159 563061013 /nfs/dbraw/zinc/06/10/13/563061013.db2.gz BPJSFBIYRVIFEZ-SFHVURJKSA-N -1 0 488.531 6.228 1 0 JKAFRM CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(/C=C/C(=O)[O-])cc3C(F)(F)F)cc21 ZINC000028351145 563061075 /nfs/dbraw/zinc/06/10/75/563061075.db2.gz ZOZISPMEYNRQNA-ZZXKWVIFSA-N -1 0 457.370 7.219 1 0 JKAFRM COc1cccc(COc2ccc(C(=O)N(c3ncc(C(=O)[O-])s3)C3CCCCC3)cc2)c1 ZINC000028353206 563061279 /nfs/dbraw/zinc/06/12/79/563061279.db2.gz WIPBMVBKFVBEFF-UHFFFAOYSA-N -1 0 466.559 5.408 1 0 JKAFRM Cc1cc2c(cccc2CC(=O)[O-])n1C(=O)c1ccc(OC[C@H]2CCc3ccccc3O2)cc1 ZINC000028388217 563063439 /nfs/dbraw/zinc/06/34/39/563063439.db2.gz GWYIZWZVKYKMGF-HSZRJFAPSA-N -1 0 455.510 5.038 1 0 JKAFRM CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCCCCCCCCC(=O)[O-])n1 ZINC000028458857 563064434 /nfs/dbraw/zinc/06/44/34/563064434.db2.gz AZWIFTDPZVCCCP-UHFFFAOYSA-N -1 0 484.593 5.066 1 0 JKAFRM CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCCCCCCCC(=O)[O-])c1 ZINC000028468729 563065117 /nfs/dbraw/zinc/06/51/17/563065117.db2.gz YTTTWZCTOCFOPV-UHFFFAOYSA-N -1 0 469.578 5.281 1 0 JKAFRM O=C([O-])COc1cccc2c1CCC[C@H]2NCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000028473974 563065713 /nfs/dbraw/zinc/06/57/13/563065713.db2.gz MHUQOHMALHNVPU-HSZRJFAPSA-N -1 0 454.526 5.639 1 0 JKAFRM O=C([O-])C[C@@H](c1cccc2ccccc21)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028474808 563065763 /nfs/dbraw/zinc/06/57/63/563065763.db2.gz FPNJXNHCYRVYBH-LJAQVGFWSA-N -1 0 491.591 6.233 1 0 JKAFRM COc1cc(CCC(=O)[O-])ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C ZINC000028520755 563066246 /nfs/dbraw/zinc/06/62/46/563066246.db2.gz MUCYOWFACXZYBV-UHFFFAOYSA-N -1 0 458.551 5.193 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Br)c4)c(F)c3)nc2c1 ZINC000028524333 563067106 /nfs/dbraw/zinc/06/71/06/563067106.db2.gz OSKWKMDITRAVSG-WEVVVXLNSA-N -1 0 495.304 5.675 1 0 JKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c(F)c3)nc2c1 ZINC000028524955 563067405 /nfs/dbraw/zinc/06/74/05/563067405.db2.gz YHXOVCSLBSPDRZ-XBXARRHUSA-N -1 0 485.298 6.220 1 0 JKAFRM O=C([O-])CCNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc32)c(Cl)c1 ZINC000028527049 563068098 /nfs/dbraw/zinc/06/80/98/563068098.db2.gz BTHQJOROLTXSRV-UHFFFAOYSA-N -1 0 455.135 6.168 1 0 JKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[S@](=O)C[C@H](NC(C)=O)C(=O)[O-] ZINC000028528128 563068204 /nfs/dbraw/zinc/06/82/04/563068204.db2.gz GAHSNLSCMMEDKK-LCTPAAJFSA-N -1 0 451.673 5.470 1 0 JKAFRM CC(C)(C)c1ccc(-n2c3ccc(Cl)cc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528478 563068252 /nfs/dbraw/zinc/06/82/52/563068252.db2.gz MWZXMGZNQGCTTJ-UHFFFAOYSA-N -1 0 487.905 8.091 1 0 JKAFRM CC(C)(C)c1ccc(-n2c3nc(Cl)ccc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528918 563068344 /nfs/dbraw/zinc/06/83/44/563068344.db2.gz YDEBBSQYSCPOHO-UHFFFAOYSA-N -1 0 488.893 7.486 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCn3nc(-c4ccccc4)c4ccccc4c3=O)ccc21 ZINC000028563367 563068965 /nfs/dbraw/zinc/06/89/65/563068965.db2.gz LDRRSCQYFXFHBF-ISKFKSNPSA-N -1 0 468.553 5.283 1 0 JKAFRM O=C1OC(=Cc2ccccc2-c2ccc(Cl)c(Cl)c2)C([O-])=C1c1ccc(Cl)c(Cl)c1 ZINC000028565339 563069402 /nfs/dbraw/zinc/06/94/02/563069402.db2.gz ALUZDKHJNXMHQW-JAIQZWGSSA-N -1 0 478.158 7.834 1 0 JKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc5ccccc5c4)oc3C)ccc21 ZINC000028566021 563069565 /nfs/dbraw/zinc/06/95/65/563069565.db2.gz YLNYVRMYGMHHFV-AOYPEHQESA-N -1 0 455.554 6.565 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@H](C(=O)[O-])c1ccccc1 ZINC000028566264 563069646 /nfs/dbraw/zinc/06/96/46/563069646.db2.gz KTOFVXDFZOKLJO-XNMGPUDCSA-N -1 0 453.538 6.170 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000028566326 563069647 /nfs/dbraw/zinc/06/96/47/563069647.db2.gz UIDIPZWJYQJSDR-NHCUHLMSSA-N -1 0 459.464 5.955 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2[C@H](CC(F)(F)F)C(=O)[O-] ZINC000028566330 563069650 /nfs/dbraw/zinc/06/96/50/563069650.db2.gz UIDIPZWJYQJSDR-RTWAWAEBSA-N -1 0 459.464 5.955 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@@H]2[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000028566324 563069666 /nfs/dbraw/zinc/06/96/66/563069666.db2.gz UIDIPZWJYQJSDR-LEWJYISDSA-N -1 0 459.464 5.955 1 0 JKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(Br)cc21 ZINC000028566186 563069682 /nfs/dbraw/zinc/06/96/82/563069682.db2.gz NTNBMXKREDPFSS-RBUKOAKNSA-N -1 0 484.390 6.175 1 0 JKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(Br)c2)C1C(=O)OC/C=C/c1ccccc1 ZINC000028568180 563070011 /nfs/dbraw/zinc/07/00/11/563070011.db2.gz OHSZUHVYBSEVDW-QDWUDRRGSA-N -1 0 468.347 5.865 1 0 JKAFRM O=C([O-])[C@H](Cc1ccc(OCCCOc2ccc(-c3ccc(F)cc3)cc2)cc1)OC1CCCC1 ZINC000028569099 563070296 /nfs/dbraw/zinc/07/02/96/563070296.db2.gz NSGOYCCQTBKYRP-NDEPHWFRSA-N -1 0 478.560 6.296 1 0 JKAFRM C[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)[O-] ZINC000028571734 563071045 /nfs/dbraw/zinc/07/10/45/563071045.db2.gz XIQOHRXOQKWBAC-KRWDZBQOSA-N -1 0 458.913 6.383 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)[O-] ZINC000028634669 563071744 /nfs/dbraw/zinc/07/17/44/563071744.db2.gz UILQHUKSFUOOLH-VJUOLUQMSA-N -1 0 456.711 7.400 1 0 JKAFRM C/C(=C/CC[C@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)[O-] ZINC000028637107 563071860 /nfs/dbraw/zinc/07/18/60/563071860.db2.gz KDCSSVADTHDYGI-NZVKJOIOSA-N -1 0 454.695 7.752 1 0 JKAFRM CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000028654656 563074239 /nfs/dbraw/zinc/07/42/39/563074239.db2.gz PLNOCPRTFZIBRT-VOMXGJAFSA-N -1 0 452.679 7.528 1 0 JKAFRM CC(=O)c1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1F)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028708896 563075921 /nfs/dbraw/zinc/07/59/21/563075921.db2.gz IVULCMPTMXWZEU-UHFFFAOYSA-N -1 0 498.598 7.326 1 0 JKAFRM Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000028710197 563076069 /nfs/dbraw/zinc/07/60/69/563076069.db2.gz VNJJEMOMRQCJFH-UHFFFAOYSA-N -1 0 452.454 5.353 1 0 JKAFRM CN(CCc1ccccc1)C(=O)Cc1ccc(OCCCOc2ccc(CC(=O)[O-])cc2Cl)cc1 ZINC000028712404 563076955 /nfs/dbraw/zinc/07/69/55/563076955.db2.gz YANSZGDFOATIKO-UHFFFAOYSA-N -1 0 496.003 5.059 1 0 JKAFRM O=C(C=C(Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000028712363 563076977 /nfs/dbraw/zinc/07/69/77/563076977.db2.gz YTBXVOWJOCVJQT-HMMYKYKNSA-N -1 0 481.943 5.418 1 0 JKAFRM Cc1cc(C[C@@H]2SC(=O)[N-]C2=O)cc(C)c1N(Cc1ccccc1)c1ccc(O)c(C(C)C)c1 ZINC000028713848 563077337 /nfs/dbraw/zinc/07/73/37/563077337.db2.gz HFKKNMDJGSLMEQ-VWLOTQADSA-N -1 0 474.626 6.365 1 0 JKAFRM Cc1cc(C[C@H]2SC(=O)[N-]C2=O)cc(C)c1N(CC1CCCCC1)c1ccc(O)c(C(C)C)c1 ZINC000028713855 563077536 /nfs/dbraw/zinc/07/75/36/563077536.db2.gz UDKHLYDMZDGMIF-RUZDIDTESA-N -1 0 480.674 6.745 1 0 JKAFRM CC(C)C[C@H](C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](CO)C(C)(C)C ZINC000028760531 563078200 /nfs/dbraw/zinc/07/82/00/563078200.db2.gz QEJJWFRQRSNLSQ-RPBOFIJWSA-N -1 0 473.594 5.233 1 0 JKAFRM CC1=C2C=C(C(=O)[O-])CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3C(=O)c3cccc4ccccc43)[C@@H]2C1 ZINC000028761217 563078202 /nfs/dbraw/zinc/07/82/02/563078202.db2.gz HYWSTOHRELDBBD-LQAIQNNJSA-N -1 0 468.637 7.613 1 0 JKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000028760879 563078220 /nfs/dbraw/zinc/07/82/20/563078220.db2.gz KCJUGIGXSYOOOU-NRFANRHFSA-N -1 0 483.996 5.271 1 0 JKAFRM CCCOc1ccc2c(c1)n(Cc1ccc3c(c1)OCO3)c(C(=O)[O-])c2Sc1cccc(OC)c1 ZINC000028769261 563079084 /nfs/dbraw/zinc/07/90/84/563079084.db2.gz TWYHKSBHPXEEHI-UHFFFAOYSA-N -1 0 491.565 6.065 1 0 JKAFRM CS(=O)(=O)c1ccc(OCc2ccc(F)cc2)c(C2=C(c3cccc(C(=O)[O-])c3)CCC2)c1 ZINC000028819264 563080396 /nfs/dbraw/zinc/08/03/96/563080396.db2.gz QBRMWSFMRRCRHE-UHFFFAOYSA-N -1 0 466.530 5.601 1 0 JKAFRM CC[C@@H](c1ccc(Cl)cc1)[C@H]1c2c(cc(F)cc2S(C)(=O)=O)C2=C1[C@@H](CC(=O)[O-])CC2 ZINC000028821755 563080772 /nfs/dbraw/zinc/08/07/72/563080772.db2.gz MRJREXXBTYDOKA-DJJPGOOVSA-N -1 0 462.970 5.812 1 0 JKAFRM CCO[C@@H](Cc1ccc(CC[C@H](OC(=O)NCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028822029 563080956 /nfs/dbraw/zinc/08/09/56/563080956.db2.gz LLUHFZCVLVLENB-UIOOFZCWSA-N -1 0 461.558 5.319 1 0 JKAFRM CCO[C@H](Cc1ccc(CC[C@H](OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028821990 563080976 /nfs/dbraw/zinc/08/09/76/563080976.db2.gz ANDWFMXOLLQHHC-RRPNLBNLSA-N -1 0 491.653 5.527 1 0 JKAFRM O=C([O-])Cc1csc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc12 ZINC000028822711 563081223 /nfs/dbraw/zinc/08/12/23/563081223.db2.gz JXINCKMDJNKMBL-UHFFFAOYSA-N -1 0 472.484 6.705 1 0 JKAFRM O=C([O-])Cc1csc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)cc(Cl)c12 ZINC000028822710 563081239 /nfs/dbraw/zinc/08/12/39/563081239.db2.gz NYCOHPNFMJTKMD-UHFFFAOYSA-N -1 0 467.852 6.435 1 0 JKAFRM Cc1cc2c(CC(=O)[O-])csc2cc1OCc1ccccc1COc1ccc(C(F)(F)F)cc1 ZINC000028822712 563081254 /nfs/dbraw/zinc/08/12/54/563081254.db2.gz YDNAXUMKGRAZTP-UHFFFAOYSA-N -1 0 486.511 7.014 1 0 JKAFRM Cc1cc(Oc2cccc(CNC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)ccc1CCC(=O)[O-] ZINC000028825481 563082254 /nfs/dbraw/zinc/08/22/54/563082254.db2.gz HCQZMPXPNBXDCK-UHFFFAOYSA-N -1 0 462.933 5.869 1 0 JKAFRM Cc1c2cc(Cl)ccc2[nH]c1C(=O)NCc1cccc(Oc2ccc(CCC(=O)[O-])c(C)c2)c1 ZINC000028825488 563082255 /nfs/dbraw/zinc/08/22/55/563082255.db2.gz RNGBTTOZWKPKDI-UHFFFAOYSA-N -1 0 476.960 6.178 1 0 JKAFRM COc1ccc(-c2ccc(/C=C(\Br)C(=O)[O-])cc2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000028825681 563082261 /nfs/dbraw/zinc/08/22/61/563082261.db2.gz ZAOXSFCULZDEML-KSEXSDGBSA-N -1 0 467.403 6.650 1 0 JKAFRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000028870790 563084183 /nfs/dbraw/zinc/08/41/83/563084183.db2.gz ZQYDGNFJUZIZMA-UHFFFAOYSA-N -1 0 471.312 5.633 1 0 JKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000028879079 563084645 /nfs/dbraw/zinc/08/46/45/563084645.db2.gz BRWVIDMSRYOGEP-QFIPXVFZSA-N -1 0 492.491 5.057 1 0 JKAFRM Cc1c(N2CC(=O)[N-]S2(=O)=O)csc1-c1cccc(NC2CC(C)(C)CC(C)(C)C2)c1 ZINC000028886854 563085013 /nfs/dbraw/zinc/08/50/13/563085013.db2.gz SYVYLKVGWYHKKB-UHFFFAOYSA-N -1 0 461.653 5.762 1 0 JKAFRM CCc1ccc(-c2ncc(CC)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)cc1 ZINC000028891605 563085184 /nfs/dbraw/zinc/08/51/84/563085184.db2.gz NVYFLRDURLXFRQ-DEOSSOPVSA-N -1 0 473.617 5.678 1 0 JKAFRM CC(C)(Oc1cccc(CCCN(CCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900607 563085997 /nfs/dbraw/zinc/08/59/97/563085997.db2.gz BKNGSAABXGNYMZ-UHFFFAOYSA-N -1 0 474.557 5.588 1 0 JKAFRM C[C@@H](Oc1cccc(CCN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900645 563086023 /nfs/dbraw/zinc/08/60/23/563086023.db2.gz CMWSHFQRDBTTGN-HXUWFJFHSA-N -1 0 460.530 5.198 1 0 JKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccc(F)cc2F)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900824 563086092 /nfs/dbraw/zinc/08/60/92/563086092.db2.gz HGYFWXHSYVRIOW-HSZRJFAPSA-N -1 0 496.510 5.824 1 0 JKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)[O-] ZINC000028948398 563086610 /nfs/dbraw/zinc/08/66/10/563086610.db2.gz BFPHAXWMTSCCLM-RRZIWXQWSA-N -1 0 478.588 7.145 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(OCC(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952205 563087374 /nfs/dbraw/zinc/08/73/74/563087374.db2.gz JVMQACJIHQWDIB-UHFFFAOYSA-N -1 0 451.441 5.058 1 0 JKAFRM Cc1sc(-c2ccc(OC(F)(F)F)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028951992 563087377 /nfs/dbraw/zinc/08/73/77/563087377.db2.gz RFJZRTHJELDNPR-KRWDZBQOSA-N -1 0 477.504 6.143 1 0 JKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc([C@H](C)CC(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952203 563087391 /nfs/dbraw/zinc/08/73/91/563087391.db2.gz PHRURZQTGOTHBJ-CQSZACIVSA-N -1 0 463.496 6.173 1 0 JKAFRM Cc1cc2c(cc1-c1cc([C@@H]3C[C@H]3C(=O)[O-])ccc1OCC(F)(F)F)N(C)C(=O)CC2(C)C ZINC000028952289 563087449 /nfs/dbraw/zinc/08/74/49/563087449.db2.gz ICPNIFOBOKKLKY-FUHWJXTLSA-N -1 0 461.480 5.435 1 0 JKAFRM Cc1cc2c(cc1-c1cc(/C=C/C(=O)[O-])ccc1OCC(F)(F)F)N(C(C)C)C(=O)CC2(C)C ZINC000028952621 563087554 /nfs/dbraw/zinc/08/75/54/563087554.db2.gz PZJDFZDSIHNULA-VQHVLOKHSA-N -1 0 475.507 6.124 1 0 JKAFRM O=C([O-])C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000028962394 563089118 /nfs/dbraw/zinc/08/91/18/563089118.db2.gz OYJMTUNQMZHGHW-LJAQVGFWSA-N -1 0 484.527 5.462 1 0 JKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3cccc(OC)c3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962564 563089131 /nfs/dbraw/zinc/08/91/31/563089131.db2.gz ALEDWVBEFDTUDP-DEOSSOPVSA-N -1 0 462.933 5.621 1 0 JKAFRM COc1ccc(-n2nc(/C=C(/C(=O)[O-])c3cccc(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963309 563089135 /nfs/dbraw/zinc/08/91/35/563089135.db2.gz YQCBMSKNPIORAW-FYJGNVAPSA-N -1 0 499.781 7.133 1 0 JKAFRM COc1ccc(-n2nc(/C=C(/C(=O)[O-])c3ccc(C)cc3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963342 563089140 /nfs/dbraw/zinc/08/91/40/563089140.db2.gz BXTHAGGDWOVEFQ-HYARGMPZSA-N -1 0 479.363 6.788 1 0 JKAFRM COc1ccc(-n2nc(/C=C(\C(=O)[O-])c3ccc(Cl)cc3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963355 563089213 /nfs/dbraw/zinc/08/92/13/563089213.db2.gz DPTBKEPTCIWZME-BKUYFWCQSA-N -1 0 499.781 7.133 1 0 JKAFRM COc1ccc(-n2nc(/C=C(\C(=O)[O-])c3ccc(C)cc3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963408 563089214 /nfs/dbraw/zinc/08/92/14/563089214.db2.gz BXTHAGGDWOVEFQ-HMAPJEAMSA-N -1 0 479.363 6.788 1 0 JKAFRM CCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972013 563089710 /nfs/dbraw/zinc/08/97/10/563089710.db2.gz YKWASLSWJYNXIJ-JOCHJYFZSA-N -1 0 469.651 5.509 1 0 JKAFRM CCCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972080 563089787 /nfs/dbraw/zinc/08/97/87/563089787.db2.gz HKRMDWUCOQXZDW-RUZDIDTESA-N -1 0 496.717 7.347 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc3c(c2Br)C[C@@H](C(=O)[O-])N3)ccc1O ZINC000028973884 563089956 /nfs/dbraw/zinc/08/99/56/563089956.db2.gz WWULLZPJLUHINM-AWEZNQCLSA-N -1 0 471.145 5.254 1 0 JKAFRM O=C(Cc1ccc(-c2ccc(Cl)cc2)cc1)NCc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028979022 563090345 /nfs/dbraw/zinc/09/03/45/563090345.db2.gz DCTZZTABOYYDMY-UHFFFAOYSA-N -1 0 482.911 5.127 1 0 JKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccc(CCC(=O)[O-])cc3)c2)c1)S(C)(=O)=O ZINC000029037777 563090582 /nfs/dbraw/zinc/09/05/82/563090582.db2.gz OIKJUFYYUTXRTF-UHFFFAOYSA-N -1 0 473.594 5.866 1 0 JKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccc([C@@H]4C[C@@H]4C(=O)[O-])cc3)c2)c1)S(C)(=O)=O ZINC000029037783 563090640 /nfs/dbraw/zinc/09/06/40/563090640.db2.gz LWGNZANWYDVSLC-AHWVRZQESA-N -1 0 485.605 6.037 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc3ccccc3c1)c1n2CC[C@H]1CC(=O)[O-] ZINC000029053209 563093199 /nfs/dbraw/zinc/09/31/99/563093199.db2.gz CZNQQZQVEALVEH-INIZCTEOSA-N -1 0 469.559 5.450 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c1c(-c1cccc(-c3ccccc3)c1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000029052966 563093217 /nfs/dbraw/zinc/09/32/17/563093217.db2.gz LDWKANHIBSQLIM-LJQANCHMSA-N -1 0 463.530 5.480 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000029053232 563093238 /nfs/dbraw/zinc/09/32/38/563093238.db2.gz BEQASZAURDGDEF-NSHDSACASA-N -1 0 487.496 5.316 1 0 JKAFRM CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1F)c1n2CC[C@@H]1CC(=O)[O-] ZINC000029053634 563093240 /nfs/dbraw/zinc/09/32/40/563093240.db2.gz BQQYPLXGBRDWSD-SNVBAGLBSA-N -1 0 471.934 5.090 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(O)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000029060452 563093870 /nfs/dbraw/zinc/09/38/70/563093870.db2.gz BUOYQGLRFDDTLB-JPIGTTIRSA-N -1 0 458.683 5.958 1 0 JKAFRM COc1ccc(C[C@H](C)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000029127223 563095523 /nfs/dbraw/zinc/09/55/23/563095523.db2.gz BAMPTNHBDXHDRO-CPLFSFDISA-N -1 0 461.602 5.356 1 0 JKAFRM CCOc1ccc(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000029127219 563095577 /nfs/dbraw/zinc/09/55/77/563095577.db2.gz CGKNAWYMNWZFFL-LDJDCKKRSA-N -1 0 489.656 6.136 1 0 JKAFRM CC(C)Cc1ccc([C@@H](C)Oc2ccc(C(=O)N3C[C@H](CCCC(=O)[O-])c4ccccc43)cc2)cc1 ZINC000029319852 563100140 /nfs/dbraw/zinc/10/01/40/563100140.db2.gz MGTQWDJEFUTOBO-GJZUVCINSA-N -1 0 485.624 7.024 1 0 JKAFRM CCCCC[C@H](CCCOC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000029325160 563100414 /nfs/dbraw/zinc/10/04/14/563100414.db2.gz IUEZBXDATYBWIN-BEFAXECRSA-N -1 0 460.398 5.149 1 0 JKAFRM O=C([O-])CCCCCCC/C=C/CCCCCCCCOc1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000029325585 563100418 /nfs/dbraw/zinc/10/04/18/563100418.db2.gz RKUADRFFLAJPMD-OWOJBTEDSA-N -1 0 482.587 8.349 1 0 JKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC000029339713 563100875 /nfs/dbraw/zinc/10/08/75/563100875.db2.gz YCAYONQECCIPEC-MHZLTWQESA-N -1 0 465.553 6.098 1 0 JKAFRM CCCc1c(OCCCSc2ccc([C@H](O)C(C)(C)CC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000029344470 563101233 /nfs/dbraw/zinc/10/12/33/563101233.db2.gz WFVHIQBHTPBRSO-VWLOTQADSA-N -1 0 474.619 5.643 1 0 JKAFRM CCCc1c(OCCCSc2ccc([C@@H](O)C(C)(C)CC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000029344467 563101255 /nfs/dbraw/zinc/10/12/55/563101255.db2.gz WFVHIQBHTPBRSO-RUZDIDTESA-N -1 0 474.619 5.643 1 0 JKAFRM COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4ccccc4C(=O)[O-])CC[C@@H]3C2(C)C)cc1 ZINC000029391916 563101745 /nfs/dbraw/zinc/10/17/45/563101745.db2.gz YAPCNPXZLLLMRV-IXMGDWDPSA-N -1 0 450.619 6.764 1 0 JKAFRM COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4cccc(C(=O)[O-])c4)CC[C@H]3C2(C)C)cc1 ZINC000029391382 563101746 /nfs/dbraw/zinc/10/17/46/563101746.db2.gz VDLQTPPLSXZZBG-VFPRQVECSA-N -1 0 450.619 6.764 1 0 JKAFRM COc1ccc(CO[C@H]2CC[C@]3(C)C[C@H](Cc4ccc(C(=O)[O-])cc4)CC[C@H]3C2(C)C)cc1 ZINC000029394921 563102090 /nfs/dbraw/zinc/10/20/90/563102090.db2.gz CPLZCQKSIZNHOD-VFPRQVECSA-N -1 0 450.619 6.764 1 0 JKAFRM Cc1cc(O)ccc1-c1cccc([C@H](O)CC[C@H]2CCC(=O)N2CCCCCCC(=O)[O-])c1 ZINC000029402164 563102544 /nfs/dbraw/zinc/10/25/44/563102544.db2.gz DAVBJPPTCGZHGQ-WIOPSUGQSA-N -1 0 453.579 5.207 1 0 JKAFRM CC(=O)O[C@H]1CC[C@H](C)CCC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])C1 ZINC000029403657 563102652 /nfs/dbraw/zinc/10/26/52/563102652.db2.gz OFDNBSPPDQDPAL-SBMBUJFTSA-N -1 0 498.748 8.422 1 0 JKAFRM CC(=O)O[C@H]1CC[C@@H](C)CCC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])C1 ZINC000029403653 563102715 /nfs/dbraw/zinc/10/27/15/563102715.db2.gz OFDNBSPPDQDPAL-QNSGIRCNSA-N -1 0 498.748 8.422 1 0 JKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(cc3C(=O)[O-])C[C@@H](O)CC[C@H](C)CCC[C@@]21C ZINC000029406224 563102891 /nfs/dbraw/zinc/10/28/91/563102891.db2.gz STXMFQXJBAKHCC-DTUQQBJCSA-N -1 0 456.711 7.851 1 0 JKAFRM CCCCC1=N[C@](C)(C[C@@H](C)CC(C)C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029413232 563103431 /nfs/dbraw/zinc/10/34/31/563103431.db2.gz SZNQOMKIVJWSOF-KCWXNJEJSA-N -1 0 462.634 6.814 1 0 JKAFRM CCCCC1=N[C@](C)(C[C@H](C)CC(C)C)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029413238 563103485 /nfs/dbraw/zinc/10/34/85/563103485.db2.gz SZNQOMKIVJWSOF-ONOMSOESSA-N -1 0 462.634 6.814 1 0 JKAFRM CO/N=C1\CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000029415398 563103681 /nfs/dbraw/zinc/10/36/81/563103681.db2.gz MIWNJCQOWWSIQP-IRPMOPFJSA-N -1 0 485.753 7.811 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCOc1ccc2ccc(OCC(=O)[O-])cc2c1 ZINC000029468717 563104381 /nfs/dbraw/zinc/10/43/81/563104381.db2.gz CEWRLAYRDVWJEE-UHFFFAOYSA-N -1 0 452.503 5.012 1 0 JKAFRM O=S(=O)([N-]c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O)C(F)(F)F ZINC000029471949 563104666 /nfs/dbraw/zinc/10/46/66/563104666.db2.gz DRFBYJUAOGDDQU-KSFYIVLOSA-N -1 0 481.467 5.039 1 0 JKAFRM CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000029473638 563104758 /nfs/dbraw/zinc/10/47/58/563104758.db2.gz KDVTYBDSKMFSCM-UHFFFAOYSA-N -1 0 453.970 5.126 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCOc1ccc2ccc(OCCCC(=O)[O-])cc2c1 ZINC000029477802 563105021 /nfs/dbraw/zinc/10/50/21/563105021.db2.gz HBNWXKBIDMJOED-UHFFFAOYSA-N -1 0 480.557 5.792 1 0 JKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)Cc3ccc4ccccc4c3)cc21 ZINC000029478904 563105089 /nfs/dbraw/zinc/10/50/89/563105089.db2.gz RLTZSUYNTYSZOI-UHFFFAOYSA-N -1 0 464.521 5.731 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1cc2c(cc1C(C)=O)CC[C@H](C(=O)[O-])C2 ZINC000029484926 563105483 /nfs/dbraw/zinc/10/54/83/563105483.db2.gz UIFAGGGUVZAXMF-NRFANRHFSA-N -1 0 496.600 5.568 1 0 JKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1cc2c(cc1C(C)=O)CC[C@@H](C(=O)[O-])C2 ZINC000029484929 563105514 /nfs/dbraw/zinc/10/55/14/563105514.db2.gz UIFAGGGUVZAXMF-OAQYLSRUSA-N -1 0 496.600 5.568 1 0 JKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1CCC(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)s1 ZINC000029488830 563105738 /nfs/dbraw/zinc/10/57/38/563105738.db2.gz APWXMEKKKMUMAR-GOSISDBHSA-N -1 0 460.964 5.075 1 0 JKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1CCC(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)s1 ZINC000029488827 563105742 /nfs/dbraw/zinc/10/57/42/563105742.db2.gz APWXMEKKKMUMAR-SFHVURJKSA-N -1 0 460.964 5.075 1 0 JKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000029544481 563105795 /nfs/dbraw/zinc/10/57/95/563105795.db2.gz PHFUCJXOLZAQNH-DUAIVQIPSA-N -1 0 498.748 7.660 1 0 biogenic,in-vitro JKAFRM CCCc1c(OCCCOc2c(C)c(C)c3c(c2C)CC[C@](C)(C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545140 563105908 /nfs/dbraw/zinc/10/59/08/563105908.db2.gz GYAVXQLBLZJDGC-MUUNZHRXSA-N -1 0 484.589 5.489 1 0 JKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000029568183 563107558 /nfs/dbraw/zinc/10/75/58/563107558.db2.gz WRGYZQBWZGPQHO-WRWRZCRSSA-N -1 0 463.618 6.036 1 0 JKAFRM CC1(C)C[C@@H](O)[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000033831712 563111063 /nfs/dbraw/zinc/11/10/63/563111063.db2.gz HCISIQALOMLBND-PESADHOGSA-N -1 0 472.710 6.204 1 0 JKAFRM CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(C(=O)[O-])C[C@@H]1O ZINC000033985778 563111498 /nfs/dbraw/zinc/11/14/98/563111498.db2.gz CFKXWTNHIJAFNL-OOURDANISA-N -1 0 488.709 5.175 1 0 in-vitro JKAFRM O=C([O-])c1cccc(C(F)(F)F)c1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 ZINC000034036512 563111811 /nfs/dbraw/zinc/11/18/11/563111811.db2.gz BDKLHMPKCYSDPU-UHFFFAOYSA-N -1 0 454.275 7.239 1 0 JKAFRM CCO[C@@H](Cc1ccc2c(cc(C)n2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)[O-] ZINC000034210395 563112511 /nfs/dbraw/zinc/11/25/11/563112511.db2.gz VHDZXMLOJYTMRT-QHCPKHFHSA-N -1 0 486.490 6.012 1 0 JKAFRM CCO[C@H](Cc1ccc2c(cc(C)n2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)[O-] ZINC000034210396 563112620 /nfs/dbraw/zinc/11/26/20/563112620.db2.gz VHDZXMLOJYTMRT-HSZRJFAPSA-N -1 0 486.490 6.012 1 0 JKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000034313371 563113175 /nfs/dbraw/zinc/11/31/75/563113175.db2.gz LNPYUCKFDARPOI-UHFFFAOYSA-N -1 0 492.519 5.652 1 0 JKAFRM Cc1cc(NC(=O)CC(=O)[O-])c2c(c1Oc1ccc(O)c(CCc3ccc(F)cc3)c1)CCC2 ZINC000034324872 563113249 /nfs/dbraw/zinc/11/32/49/563113249.db2.gz XGBAZMQYQFUGHW-UHFFFAOYSA-N -1 0 463.505 5.319 1 0 JKAFRM CCCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000034357149 563113354 /nfs/dbraw/zinc/11/33/54/563113354.db2.gz NJKDMEJQXHMOJP-QHCPKHFHSA-N -1 0 465.571 5.909 1 0 JKAFRM C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(cc(F)cc2S(C)(=O)=O)c2c1[C@@H](CC(=O)[O-])CCC2 ZINC000034587824 563113914 /nfs/dbraw/zinc/11/39/14/563113914.db2.gz KSSMIJUMUAANAX-DZGCQCFKSA-N -1 0 497.510 5.707 1 0 in-vivo JKAFRM CC1(C)CC[C@]2(CCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000034643676 563114411 /nfs/dbraw/zinc/11/44/11/563114411.db2.gz KKGDPZQHHLJWTH-RHIXFSJMSA-N -1 0 484.765 8.014 1 0 JKAFRM CCC(CC)(c1ccc(CC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OCCCCC(=O)[O-])c(C)c1 ZINC000034662927 563114526 /nfs/dbraw/zinc/11/45/26/563114526.db2.gz IJEVKYYNUGBQHL-NDEPHWFRSA-N -1 0 482.705 7.383 1 0 JKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(C)c1cccc(CC(=O)[O-])c1 ZINC000034717661 563114696 /nfs/dbraw/zinc/11/46/96/563114696.db2.gz KNURBYIANGVDEG-UHFFFAOYSA-N -1 0 450.457 5.332 1 0 JKAFRM CCC[C@@H](CCOc1ccc(CCC(=O)[O-])c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1 ZINC000034717707 563114790 /nfs/dbraw/zinc/11/47/90/563114790.db2.gz YLVMSBDGHFKFGT-SANMLTNESA-N -1 0 488.624 6.822 1 0 JKAFRM Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)[O-] ZINC000034717702 563114806 /nfs/dbraw/zinc/11/48/06/563114806.db2.gz CDXOSGNAXOTFBO-LJQANCHMSA-N -1 0 488.502 7.060 1 0 JKAFRM C[C@H](CCOc1ccc(CCC(=O)[O-])c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1 ZINC000034717703 563114808 /nfs/dbraw/zinc/11/48/08/563114808.db2.gz WXCQOBJBCVSXBR-QGZVFWFLSA-N -1 0 458.913 6.525 1 0 JKAFRM CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)[O-])cc3)c(C)c2)cc1C)CC ZINC000034776441 563114978 /nfs/dbraw/zinc/11/49/78/563114978.db2.gz HXYWRLPHJHIGHE-FMQUCBEESA-N -1 0 498.707 8.268 1 0 JKAFRM CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2cc(NC(C)=O)c(C(=O)[O-])cc2C4)cc1 ZINC000034893206 563117455 /nfs/dbraw/zinc/11/74/55/563117455.db2.gz WHGSUNIEZVUQEJ-UHFFFAOYSA-N -1 0 456.517 6.544 1 0 JKAFRM COc1ccc(CC(=O)c2c([O-])n(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000035017498 563118306 /nfs/dbraw/zinc/11/83/06/563118306.db2.gz PKNKGCQTYKIYBM-UHFFFAOYSA-N -1 0 469.324 5.075 1 0 JKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccccc3Br)c2c1 ZINC000035079456 563118881 /nfs/dbraw/zinc/11/88/81/563118881.db2.gz KGJUCUMLYSCQSF-GFCCVEGCSA-N -1 0 492.778 5.636 1 0 JKAFRM O=C([O-])c1c2ccc3c(c2nc(Cc2ccc(Cl)cc2)c1OC(=O)C1CCCCC1)CCCC3 ZINC000035087085 563119102 /nfs/dbraw/zinc/11/91/02/563119102.db2.gz YHYBKZNDXVXRDY-UHFFFAOYSA-N -1 0 477.988 6.542 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)Cc6nonc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000035570609 563120186 /nfs/dbraw/zinc/12/01/86/563120186.db2.gz PVMMAUQTRBJOMP-VFWVJDNASA-N -1 0 480.693 6.970 1 0 JKAFRM CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000035935158 563121407 /nfs/dbraw/zinc/12/14/07/563121407.db2.gz JEBJURUMASJIAQ-FYSMJZIKSA-N -1 0 461.562 5.638 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000036020281 563121853 /nfs/dbraw/zinc/12/18/53/563121853.db2.gz YKOPWPOFWMYZJZ-YGQGITLWSA-N -1 0 472.710 6.204 3 0 JKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C([P@@](=O)([O-])O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000036152886 563122839 /nfs/dbraw/zinc/12/28/39/563122839.db2.gz NQPRMLZAGJVYPH-YTUIUPOLSA-N -1 0 463.599 5.882 1 0 JKAFRM O=C([O-])c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@H](O)Cc2cccc(-c3ccccc3)c2)cc1 ZINC000036160067 563123025 /nfs/dbraw/zinc/12/30/25/563123025.db2.gz FBSYWZQEXIMEQD-NSOVKSMOSA-N -1 0 471.597 5.359 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(C(C)(C)C)c1 ZINC000036176028 563123189 /nfs/dbraw/zinc/12/31/89/563123189.db2.gz QEKKAMCEOXZNBE-AREMUKBSSA-N -1 0 471.601 6.161 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(C(C)(C)C)c1 ZINC000036176021 563123191 /nfs/dbraw/zinc/12/31/91/563123191.db2.gz QEKKAMCEOXZNBE-SANMLTNESA-N -1 0 471.601 6.161 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(C(C)=O)c1 ZINC000036176010 563123210 /nfs/dbraw/zinc/12/32/10/563123210.db2.gz NRSPDTUSPMLTLZ-RUZDIDTESA-N -1 0 457.530 5.066 1 0 JKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1cc(Cl)c(O[C@H](C(=O)[O-])c2ccccc2)c(OC)c1 ZINC000036175932 563123229 /nfs/dbraw/zinc/12/32/29/563123229.db2.gz RHILQJOZXGCAIS-QHCPKHFHSA-N -1 0 479.964 5.526 1 0 JKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc(Cl)cc4)c2c(Br)c1)[C@@H](CC(=O)[O-])CC3 ZINC000036190261 563124139 /nfs/dbraw/zinc/12/41/39/563124139.db2.gz VKDNFCZYGKSEAL-CYBMUJFWSA-N -1 0 496.810 5.014 1 0 JKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4cccc(Cl)c4)c2c(Br)c1)[C@H](CC(=O)[O-])CC3 ZINC000036190323 563124222 /nfs/dbraw/zinc/12/42/22/563124222.db2.gz XURZYAAVHMOMOO-ZDUSSCGKSA-N -1 0 496.810 5.014 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H]2c3ccccc3[C@](C)(O)[C@@H]2C(=O)[O-])cc1 ZINC000036222518 563124642 /nfs/dbraw/zinc/12/46/42/563124642.db2.gz FQSGMDJXWRKNSS-AHPZMPFVSA-N -1 0 469.585 5.103 1 0 JKAFRM CCCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H]2c3ccccc3[C@](O)(CC)[C@@H]2C(=O)[O-])cc1 ZINC000036222505 563124652 /nfs/dbraw/zinc/12/46/52/563124652.db2.gz KQLCNYCBMYJXMJ-DIIXFEDBSA-N -1 0 483.612 5.493 1 0 JKAFRM COc1cc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)oc2c(-c2cccc(N)c2)c1 ZINC000036241907 563124788 /nfs/dbraw/zinc/12/47/88/563124788.db2.gz GAYYMURZGLJDCT-UHFFFAOYSA-N -1 0 464.330 5.193 1 0 in-vivo JKAFRM CC(C)(C)c1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)[O-])[C@H](c3cccnc3)O2)cc1 ZINC000036242541 563124899 /nfs/dbraw/zinc/12/48/99/563124899.db2.gz OAJFPHGBJOCPCZ-HJWWDXFCSA-N -1 0 467.606 6.078 1 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3F)C(C(=O)[O-])=CC[C@H]2c2cccs2)cc1 ZINC000036387315 563129154 /nfs/dbraw/zinc/12/91/54/563129154.db2.gz LGASQFYSRQKAJJ-UNMCSNQZSA-N -1 0 457.548 5.084 3 0 JKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387309 563129158 /nfs/dbraw/zinc/12/91/58/563129158.db2.gz DGTLWTRHFSWACV-DQEYMECFSA-N -1 0 465.546 5.331 3 0 JKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3F)C(C(=O)[O-])=CC[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000036387316 563129167 /nfs/dbraw/zinc/12/91/67/563129167.db2.gz FOWJVJUSNCLVIV-SVBPBHIXSA-N -1 0 493.600 6.146 3 0 JKAFRM COc1ccc(-c2cc(COc3ccc(OCC(=O)[O-])c(C)c3)nc(-c3ccc(OC)cc3)n2)cc1 ZINC000037866899 563131050 /nfs/dbraw/zinc/13/10/50/563131050.db2.gz YPHVTYIAVCPMOI-UHFFFAOYSA-N -1 0 486.524 5.179 1 0 JKAFRM CCc1onc(-c2ccc(CC(=O)[O-])cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl ZINC000037866929 563131132 /nfs/dbraw/zinc/13/11/32/563131132.db2.gz AYBCPAUHDJRCLO-UHFFFAOYSA-N -1 0 497.762 5.300 1 0 JKAFRM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000037866954 563131133 /nfs/dbraw/zinc/13/11/33/563131133.db2.gz UOKLODYFAVGQRH-UHFFFAOYSA-N -1 0 494.491 5.189 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C ZINC000038147433 563131795 /nfs/dbraw/zinc/13/17/95/563131795.db2.gz JXSVIVRDWWRQRT-KDQBETMCSA-N -1 0 488.709 5.033 1 0 JKAFRM O=C([O-])COc1cccc(Cc2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000038147848 563131874 /nfs/dbraw/zinc/13/18/74/563131874.db2.gz PQUXRWYYBIKQNG-UHFFFAOYSA-N -1 0 461.517 6.730 1 0 JKAFRM C/C(=C\C=C/[C@@H](C)[C@]1(C)CC[C@]2(C)C1=CC[C@@]1(O)[C@H]2CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C)C(=O)[O-] ZINC000038211267 563133196 /nfs/dbraw/zinc/13/31/96/563133196.db2.gz QAAJVBKHQHFGTB-DQPQUSLRSA-N -1 0 470.694 6.291 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](COC(C)C)C(=O)[O-])c(C)c1 ZINC000038217585 563133328 /nfs/dbraw/zinc/13/33/28/563133328.db2.gz QTDVWQHIDOETGM-QHCPKHFHSA-N -1 0 477.561 5.017 1 0 JKAFRM CCC[C@H](Oc1ccc(-c2ccc(CC(C)C)cc2)nc1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000038227288 563133397 /nfs/dbraw/zinc/13/33/97/563133397.db2.gz AREUABAZAWIIIU-MHZLTWQESA-N -1 0 474.601 6.072 1 0 JKAFRM O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 ZINC000038256843 563133561 /nfs/dbraw/zinc/13/35/61/563133561.db2.gz DHTUJVYHDXVVLV-UHFFFAOYSA-N -1 0 468.311 7.139 1 0 JKAFRM O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)n1 ZINC000038270272 563133743 /nfs/dbraw/zinc/13/37/43/563133743.db2.gz BUHQFJCRPMFIAA-UHFFFAOYSA-N -1 0 468.311 7.139 1 0 JKAFRM CCCCOC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000038270296 563133754 /nfs/dbraw/zinc/13/37/54/563133754.db2.gz GQUSZXYYGWDYMM-DEOSSOPVSA-N -1 0 491.588 5.409 1 0 JKAFRM CC1=CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000038360382 563134078 /nfs/dbraw/zinc/13/40/78/563134078.db2.gz HNJKFVJZKCXLRL-SILQXMKOSA-N -1 0 456.711 7.090 1 0 JKAFRM Cc1cc(C)cc(Nc2ccc(CCC(=O)[O-])c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c1 ZINC000038803405 563135565 /nfs/dbraw/zinc/13/55/65/563135565.db2.gz VPHANUYHALYOJJ-GDLZYMKVSA-N -1 0 486.656 7.198 1 0 JKAFRM CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)C[C@H](O)[C@](C)(C(=O)[O-])[C@@H]1CC3=O ZINC000038943855 563135881 /nfs/dbraw/zinc/13/58/81/563135881.db2.gz AKQVSWCZIQYIJI-OCOIMNAZSA-N -1 0 486.693 5.694 1 0 JKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000039182739 563136335 /nfs/dbraw/zinc/13/63/35/563136335.db2.gz CGPBVNAIDFBRJG-ZRMZZLDZSA-N -1 0 456.711 7.400 1 0 JKAFRM CC(C)=CCc1ccc(-c2oc3c(CC=C(C)C)c([O-])c4c(c3c(=O)c2O)OC(C)(C)CC4)cc1O ZINC000040379582 563137325 /nfs/dbraw/zinc/13/73/25/563137325.db2.gz MBIMXMBSWOGVPF-UHFFFAOYSA-N -1 0 490.596 6.698 1 0 in-vitro JKAFRM C/C(=C/CC[C@@H](C)C1=C2[C@@H](C)C[C@H]3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]2(C)CC1)C(=O)[O-] ZINC000040395755 563139398 /nfs/dbraw/zinc/13/93/98/563139398.db2.gz KNYVORLBUHFUJF-OMIRAYLHSA-N -1 0 454.695 7.320 1 0 JKAFRM Cc1cc(CC2CC2)cc(C)c1NC(=O)Nc1cc(F)ccc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040407323 563140250 /nfs/dbraw/zinc/14/02/50/563140250.db2.gz XUJLFPBPUYFSHU-VWLOTQADSA-N -1 0 495.595 5.802 1 0 JKAFRM CC1(C)CCC(C)(C)c2cc(N(c3ccc(C(=O)[O-])cn3)S(=O)(=O)c3ccccc3)ccc21 ZINC000040408127 563140372 /nfs/dbraw/zinc/14/03/72/563140372.db2.gz MZFSVQPALHYXNW-UHFFFAOYSA-N -1 0 464.587 5.656 1 0 JKAFRM C/C(=C/CCC(=O)Nc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1Cl)c1ccc(C)cc1Cl ZINC000040408582 563140391 /nfs/dbraw/zinc/14/03/91/563140391.db2.gz VRASTSUSNMWYCW-LMXLVEHLSA-N -1 0 482.407 7.418 1 0 JKAFRM C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C)C(=O)[O-] ZINC000040412023 563140890 /nfs/dbraw/zinc/14/08/90/563140890.db2.gz MUYQNDWZUCOTJV-ZACRQLKHSA-N -1 0 468.678 6.499 1 0 JKAFRM Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COCCCCCC(=O)[O-])cc2o1 ZINC000040420271 563141216 /nfs/dbraw/zinc/14/12/16/563141216.db2.gz SWCNXPKXNIGCDX-SFTDATJTSA-N -1 0 497.567 5.023 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000040420762 563141446 /nfs/dbraw/zinc/14/14/46/563141446.db2.gz VOCZPFOLARMCLO-UHFFFAOYSA-N -1 0 459.546 5.536 1 0 JKAFRM C[C@]1(c2ccccc2)c2cc(C(=O)[O-])sc2C(=O)c2c1c1ccccc1n2Cc1ccc(O)cc1 ZINC000040465919 563144227 /nfs/dbraw/zinc/14/42/27/563144227.db2.gz PPEFERBITOOXRL-LJAQVGFWSA-N -1 0 479.557 6.054 1 0 JKAFRM COc1ccc([C@@]2(C)c3cc(C(=O)[O-])sc3C(=O)c3c2c2ccccc2n3Cc2ccccc2)cc1 ZINC000040466040 563144307 /nfs/dbraw/zinc/14/43/07/563144307.db2.gz IROWZHNZQNSDCB-PMERELPUSA-N -1 0 493.584 6.357 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H]6C=NO[C@@H]6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000040566727 563145745 /nfs/dbraw/zinc/14/57/45/563145745.db2.gz DOFHSVISBGLOLB-XYHRDEOSSA-N -1 0 481.721 7.483 1 0 JKAFRM CC[P@](=O)([O-])[C@@H](C(=O)N/C=C/c1ccc(F)c(F)c1)c1csc2ccc(Cl)cc21 ZINC000040585136 563146746 /nfs/dbraw/zinc/14/67/46/563146746.db2.gz OQZFHRRYYSVINB-IHHMQQGQSA-N -1 0 455.850 5.951 1 0 JKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000040810636 563148675 /nfs/dbraw/zinc/14/86/75/563148675.db2.gz XDXWPIHCPCVOLK-UHFFFAOYSA-N -1 0 469.257 5.298 1 0 JKAFRM CC[C@@H](Cc1cc(F)c(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)[O-] ZINC000040847344 563149332 /nfs/dbraw/zinc/14/93/32/563149332.db2.gz OXCSNXHRBNHNAM-CRHMBOCVSA-N -1 0 493.619 5.885 1 0 JKAFRM CC(C)c1cc(Oc2c(Br)cc(NC[P@@](=O)([O-])O)cc2Br)ccc1O ZINC000040863003 563150441 /nfs/dbraw/zinc/15/04/41/563150441.db2.gz YZCJJTBDQXIRJA-UHFFFAOYSA-N -1 0 495.104 5.380 1 0 JKAFRM CCCC[C@@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)[O-] ZINC000040866293 563151144 /nfs/dbraw/zinc/15/11/44/563151144.db2.gz KYRBYBXVVWQIJQ-JOCHJYFZSA-N -1 0 466.603 5.455 1 0 JKAFRM O=C(COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c21)[N-]S(=O)(=O)c1ccccc1 ZINC000040872734 563151528 /nfs/dbraw/zinc/15/15/28/563151528.db2.gz SOIJIWKNCRTWIB-UHFFFAOYSA-N -1 0 488.590 5.356 1 0 JKAFRM CC(C)(C(=O)[O-])c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1 ZINC000040880230 563152838 /nfs/dbraw/zinc/15/28/38/563152838.db2.gz DOMDOUGANOUMTL-UHFFFAOYSA-N -1 0 474.373 6.243 1 0 JKAFRM Cc1ccccc1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040892638 563153371 /nfs/dbraw/zinc/15/33/71/563153371.db2.gz RGPKRUTUTPCAPZ-DEOSSOPVSA-N -1 0 459.546 5.556 1 0 JKAFRM CC1(C)C(=O)C[C@H](O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000040895022 563153787 /nfs/dbraw/zinc/15/37/87/563153787.db2.gz OLBGREBERCXYAJ-WBGWUSGSSA-N -1 0 470.694 6.413 1 0 JKAFRM COc1ccc(CSc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)c(=O)[n-]2)cc1 ZINC000040897521 563154179 /nfs/dbraw/zinc/15/41/79/563154179.db2.gz ZLTFDKGXKXTDKB-UHFFFAOYSA-N -1 0 488.453 6.008 1 0 JKAFRM C[C@H](Cc1ccc(OCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040900191 563154587 /nfs/dbraw/zinc/15/45/87/563154587.db2.gz IWJBNZQFLXQWHA-HSZRJFAPSA-N -1 0 489.612 5.041 1 0 JKAFRM CCCCOc1ccc(C)cc1-c1ccc(COc2ccc3c(c2)CCC[C@H]3CC(=O)[O-])cc1 ZINC000040900205 563154621 /nfs/dbraw/zinc/15/46/21/563154621.db2.gz DCTJXVVBXQEBIQ-VWLOTQADSA-N -1 0 458.598 7.315 1 0 JKAFRM O=C([O-])c1cn(C2CC2)c2c(cc(F)c(Sc3ccccc3)c2Sc2ccccc2)c1=O ZINC000040901308 563154853 /nfs/dbraw/zinc/15/48/53/563154853.db2.gz HCPRPOLQJVHBTN-UHFFFAOYSA-N -1 0 463.555 6.476 1 0 JKAFRM Cc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000040913641 563155006 /nfs/dbraw/zinc/15/50/06/563155006.db2.gz LXUCNIAYEZWFKL-QFIPXVFZSA-N -1 0 455.530 5.158 1 0 JKAFRM CCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000040915153 563155357 /nfs/dbraw/zinc/15/53/57/563155357.db2.gz WHMNOQMNAGTIDC-QHCPKHFHSA-N -1 0 469.557 5.412 1 0 JKAFRM COc1ccc(NC(=O)/C=C/c2ccc(-c3nc4cc(CC(=O)[O-])ccc4o3)c(F)c2)cc1F ZINC000040916553 563155709 /nfs/dbraw/zinc/15/57/09/563155709.db2.gz XMXSWURNSQIXGB-RUDMXATFSA-N -1 0 464.424 5.061 1 0 JKAFRM COc1ccc(NC(=O)/C=C/c2ccc(-c3nc4cc(CC(=O)[O-])ccc4o3)c(F)c2)cc1Cl ZINC000040918196 563156114 /nfs/dbraw/zinc/15/61/14/563156114.db2.gz UZZYYBQJZHAYOH-RUDMXATFSA-N -1 0 480.879 5.575 1 0 JKAFRM O=C([O-])c1cc(Nc2ccc(CCc3ccc(Cl)c(Cl)c3)cc2)ccc1C(F)(F)F ZINC000040933708 563156929 /nfs/dbraw/zinc/15/69/29/563156929.db2.gz PLWRIQIBJAGUNS-UHFFFAOYSA-N -1 0 454.275 7.239 1 0 JKAFRM Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccc(C(=O)[O-])cn2)cc1 ZINC000040933591 563156936 /nfs/dbraw/zinc/15/69/36/563156936.db2.gz FKFLVZYWXOJIMQ-UHFFFAOYSA-N -1 0 478.614 5.964 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](OCC2CC2)C(=O)[O-])c2sccc21 ZINC000040937683 563158447 /nfs/dbraw/zinc/15/84/47/563158447.db2.gz QMAGLDMHKDLLOM-DEOSSOPVSA-N -1 0 477.582 5.909 1 0 JKAFRM CCCS(=O)(=O)[N-]C(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040938315 563158450 /nfs/dbraw/zinc/15/84/50/563158450.db2.gz OPSMSGAFBOWTNW-UHFFFAOYSA-N -1 0 486.808 5.278 1 0 JKAFRM CCCO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)[O-] ZINC000040938627 563158518 /nfs/dbraw/zinc/15/85/18/563158518.db2.gz DVIBSRAWYQNSOH-AREMUKBSSA-N -1 0 459.542 5.847 1 0 JKAFRM CO[C@@H](Cc1ccc(OCCc2nc(-c3cc(C)cc(C)c3)oc2C)c2ccsc21)C(=O)[O-] ZINC000040940265 563158868 /nfs/dbraw/zinc/15/88/68/563158868.db2.gz CSLKMCGKJYRBFB-QHCPKHFHSA-N -1 0 465.571 5.745 1 0 JKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2CC(=O)[O-])c1 ZINC000040950162 563159321 /nfs/dbraw/zinc/15/93/21/563159321.db2.gz ZUBODLBPLNYZSJ-UHFFFAOYSA-N -1 0 480.524 5.146 1 0 JKAFRM CCCCc1cn(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2cccc(SC)c2c1=O ZINC000040950629 563159464 /nfs/dbraw/zinc/15/94/64/563159464.db2.gz LINAZBMTVNPHFX-UHFFFAOYSA-N -1 0 457.595 6.480 1 0 JKAFRM CC(C)c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040972670 563161383 /nfs/dbraw/zinc/16/13/83/563161383.db2.gz POXUHUAYPNNQAO-XSBVVTFOSA-N -1 0 487.562 7.176 1 0 JKAFRM CC(C)c1nc2cc3c(cc2[nH]c1=O)nc(-c1ccc(C(=O)[O-])cc1)n3CCCc1ccccc1 ZINC000040973896 563161658 /nfs/dbraw/zinc/16/16/58/563161658.db2.gz NWMCTCYXKOJJHI-UHFFFAOYSA-N -1 0 466.541 5.394 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1 ZINC000042890467 563163453 /nfs/dbraw/zinc/16/34/53/563163453.db2.gz GBMBQYFNPMVAMS-BOTRXSTOSA-N -1 0 470.694 6.413 1 0 JKAFRM CCCCNc1nc([N-]c2nc(SC)cc(-c3ccc(OC)c(OC)c3)n2)nc(NCCCC)n1 ZINC000043015092 563164497 /nfs/dbraw/zinc/16/44/97/563164497.db2.gz JYVDZUNWWNXUJL-UHFFFAOYSA-N -1 0 498.657 5.235 1 0 JKAFRM COc1ccc(-c2ccc(S(=O)(=O)[N-]c3oncc3-c3nc4ccccc4s3)cc2)cc1 ZINC000043017713 563164721 /nfs/dbraw/zinc/16/47/21/563164721.db2.gz ZWGYMUKDVKDZKO-UHFFFAOYSA-N -1 0 463.540 5.428 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000043024767 563165472 /nfs/dbraw/zinc/16/54/72/563165472.db2.gz VARUHUWVEZWXBA-UHFFFAOYSA-N -1 0 499.038 7.271 1 0 JKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Nc3ccccc3)ccc12)C(=O)[O-] ZINC000043059663 563165541 /nfs/dbraw/zinc/16/55/41/563165541.db2.gz CCTDBXLXFNHDIL-QFIPXVFZSA-N -1 0 497.598 5.086 1 0 JKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000043062419 563165895 /nfs/dbraw/zinc/16/58/95/563165895.db2.gz JOQYPLYTDARIBO-UHFFFAOYSA-N -1 0 451.392 5.588 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1-c1nc2ccccc2s1 ZINC000043067785 563166143 /nfs/dbraw/zinc/16/61/43/563166143.db2.gz RGUFAXDNIMJDBS-UHFFFAOYSA-N -1 0 470.519 6.033 1 0 JKAFRM CCCC[C@@H](Sc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000043068997 563166158 /nfs/dbraw/zinc/16/61/58/563166158.db2.gz PMSKZXYPUKICSQ-AREMUKBSSA-N -1 0 450.600 6.937 1 0 JKAFRM Cc1csc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1-c1nc2ccccc2s1 ZINC000043069737 563166243 /nfs/dbraw/zinc/16/62/43/563166243.db2.gz WTNLMFLTAIVXML-UHFFFAOYSA-N -1 0 470.519 6.033 1 0 JKAFRM COc1ccc(CCn2c3ccc(C(=O)[O-])cc3nc2-c2cccc(Br)c2)cc1 ZINC000043080264 563167003 /nfs/dbraw/zinc/16/70/03/563167003.db2.gz CKAOVHNURKLBGP-UHFFFAOYSA-N -1 0 451.320 5.415 1 0 JKAFRM CC(=O)c1ccc(OCc2ccc3nsnc3c2)cc1O[C@H](CCC(=O)[O-])c1ccccc1 ZINC000043151222 563167911 /nfs/dbraw/zinc/16/79/11/563167911.db2.gz OBOOWVLIZKMMIV-HSZRJFAPSA-N -1 0 462.527 5.458 1 0 JKAFRM O=C([O-])CCC(=O)N1CC=C(c2ccc(-c3cnc(Nc4cccc(Cl)c4)o3)cc2)CC1 ZINC000043174260 563168119 /nfs/dbraw/zinc/16/81/19/563168119.db2.gz MJOVKARGTZZNFN-UHFFFAOYSA-N -1 0 451.910 5.219 1 0 JKAFRM CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])s2)n1 ZINC000043177291 563168213 /nfs/dbraw/zinc/16/82/13/563168213.db2.gz NWOOORGYRVRDTD-IBGZPJMESA-N -1 0 492.428 5.093 1 0 JKAFRM C[C@H](O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000043273968 563169085 /nfs/dbraw/zinc/16/90/85/563169085.db2.gz HVHZKSZVTKBKLW-BUDDJALXSA-N -1 0 460.699 5.894 1 0 JKAFRM CC(C)=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@@]4(C)C(=O)[O-] ZINC000044406064 563172631 /nfs/dbraw/zinc/17/26/31/563172631.db2.gz YNRJWLCUSNZCQL-CQRFSKKRSA-N -1 0 488.709 5.175 1 0 JKAFRM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1-c1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000045201044 563177940 /nfs/dbraw/zinc/17/79/40/563177940.db2.gz LOZMOXKHAQYBLS-UHFFFAOYSA-N -1 0 466.559 5.916 1 0 JKAFRM O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccc4ccccc4c3)c2)c1 ZINC000045244938 563181466 /nfs/dbraw/zinc/18/14/66/563181466.db2.gz FFLPENZMNFDZSO-UHFFFAOYSA-N -1 0 483.549 5.251 1 0 JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cncnc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000045298591 563185152 /nfs/dbraw/zinc/18/51/52/563185152.db2.gz ZXCSBCTVTJFLOZ-QROXQBBHSA-N -1 0 490.732 7.377 1 0 JKAFRM C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000045335778 563190154 /nfs/dbraw/zinc/19/01/54/563190154.db2.gz YQUNVWHOTJLOLI-LLVKDONJSA-N -1 0 468.789 6.488 1 0 JKAFRM Nc1cc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])cc(F)n1 ZINC000045338805 563190903 /nfs/dbraw/zinc/19/09/03/563190903.db2.gz HINLKZQFOOWQSN-UHFFFAOYSA-N -1 0 455.461 5.012 1 0 JKAFRM CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C(=O)[O-])cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000045339175 563190961 /nfs/dbraw/zinc/19/09/61/563190961.db2.gz HRCBWCKPBWZCRB-UHFFFAOYSA-N -1 0 487.455 5.815 1 0 JKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCOc1cc(Cn3ccnc3)ccc1/C=C/C(=O)[O-])O2 ZINC000045351508 563191823 /nfs/dbraw/zinc/19/18/23/563191823.db2.gz RUCOQAKDGFQSIK-YIXADMSASA-N -1 0 476.573 5.213 1 0 JKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3C)ccc2CCC(=O)[O-])c1 ZINC000045355110 563192206 /nfs/dbraw/zinc/19/22/06/563192206.db2.gz PUQCPIMXFYPCIE-NDEPHWFRSA-N -1 0 487.640 6.725 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc2ccccc21 ZINC000045356311 563192399 /nfs/dbraw/zinc/19/23/99/563192399.db2.gz QIZFGKHZAGUMOI-PMERELPUSA-N -1 0 495.619 6.953 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc2ccccc21 ZINC000045356315 563192410 /nfs/dbraw/zinc/19/24/10/563192410.db2.gz QIZFGKHZAGUMOI-SSEXGKCCSA-N -1 0 495.619 6.953 1 0 JKAFRM Cc1ccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1C ZINC000045356993 563192484 /nfs/dbraw/zinc/19/24/84/563192484.db2.gz QPNYAFGLQDXISG-NDEPHWFRSA-N -1 0 473.613 6.417 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000045358797 563192777 /nfs/dbraw/zinc/19/27/77/563192777.db2.gz NFFBHRXPIVXYHH-OADIDDRXSA-N -1 0 470.694 7.024 1 0 JKAFRM Cc1ccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1 ZINC000045365310 563192965 /nfs/dbraw/zinc/19/29/65/563192965.db2.gz CDBREVYLTWFNCI-MHZLTWQESA-N -1 0 459.586 6.108 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000045365606 563192992 /nfs/dbraw/zinc/19/29/92/563192992.db2.gz FWASKMZBRDMIFV-SANMLTNESA-N -1 0 497.994 6.593 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(F)cc3)ccc2CCC(=O)[O-])c1 ZINC000045367532 563193301 /nfs/dbraw/zinc/19/33/01/563193301.db2.gz UGNHEAQVFRJTQQ-MUUNZHRXSA-N -1 0 491.603 6.556 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000045367779 563193312 /nfs/dbraw/zinc/19/33/12/563193312.db2.gz KHHCAIWHDUGXHC-PMACEKPBSA-N -1 0 465.571 5.963 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(F)c3)ccc2CCC(=O)[O-])c1 ZINC000045367526 563193333 /nfs/dbraw/zinc/19/33/33/563193333.db2.gz JZCWPRMKQDJDBN-MUUNZHRXSA-N -1 0 491.603 6.556 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000045368929 563193516 /nfs/dbraw/zinc/19/35/16/563193516.db2.gz LIHNAFWESVHZMA-SANMLTNESA-N -1 0 480.004 6.453 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC000045369060 563193524 /nfs/dbraw/zinc/19/35/24/563193524.db2.gz KOPLSXVYIPSQDU-AREMUKBSSA-N -1 0 463.549 5.939 1 0 JKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc(F)c1 ZINC000045370598 563193665 /nfs/dbraw/zinc/19/36/65/563193665.db2.gz ZKWLYZRHRQHRJH-AREMUKBSSA-N -1 0 463.549 5.939 1 0 JKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000045372373 563193860 /nfs/dbraw/zinc/19/38/60/563193860.db2.gz HRIVQOQOXZBHSD-SANMLTNESA-N -1 0 481.539 6.078 1 0 JKAFRM CN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1cc2ccccc2s1 ZINC000045385718 563194429 /nfs/dbraw/zinc/19/44/29/563194429.db2.gz BOHJBMASPMEZCI-UHFFFAOYSA-N -1 0 460.599 6.357 1 0 JKAFRM CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000045386531 563194481 /nfs/dbraw/zinc/19/44/81/563194481.db2.gz AXCOTJZGNGEVSS-VXKWHMMOSA-N -1 0 491.609 6.477 1 0 JKAFRM Cc1cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])ccc1F ZINC000045391013 563195115 /nfs/dbraw/zinc/19/51/15/563195115.db2.gz PFPFPRXUFLKLGR-HHHXNRCGSA-N -1 0 477.576 6.248 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000045394310 563195274 /nfs/dbraw/zinc/19/52/74/563195274.db2.gz RJIPZJFQEWTNSN-GSXHZGFFSA-N -1 0 470.694 6.269 1 0 JKAFRM CCCCOc1ccc(-c2ccc(C(=O)[O-])cn2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049032454 563198066 /nfs/dbraw/zinc/19/80/66/563198066.db2.gz QNVKSPMUJUQDMJ-UHFFFAOYSA-N -1 0 490.453 5.714 1 0 JKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2cnc3ccccc3c2)cc1 ZINC000049035452 563198747 /nfs/dbraw/zinc/19/87/47/563198747.db2.gz FZNCXDLYDMLVCU-UHFFFAOYSA-N -1 0 496.519 5.916 1 0 JKAFRM CN1C(C(=O)Nc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)=C([O-])c2ccccc2S1(=O)=O ZINC000049035759 563198860 /nfs/dbraw/zinc/19/88/60/563198860.db2.gz UHJZWGNEOLBDMK-UHFFFAOYSA-N -1 0 475.353 5.160 1 0 JKAFRM C[C@H](NC(=O)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c21)c1ccc(C(=O)[O-])cc1 ZINC000049046206 563199443 /nfs/dbraw/zinc/19/94/43/563199443.db2.gz UINDZFWNNOYDTP-INIZCTEOSA-N -1 0 466.459 5.898 1 0 JKAFRM O=C([O-])CCc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cccc(F)c1 ZINC000049066777 563200657 /nfs/dbraw/zinc/20/06/57/563200657.db2.gz KOGPBHKELJXJPX-UHFFFAOYSA-N -1 0 453.485 6.425 1 0 JKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccnc3)ccc2CCC(=O)[O-])c1 ZINC000049114831 563202795 /nfs/dbraw/zinc/20/27/95/563202795.db2.gz GHYYWBKTACZBAG-HHHXNRCGSA-N -1 0 474.601 5.812 1 0 JKAFRM CC1=CC(C)(C)N2C(=O)C(C3=NC(=S)[N-]C3=O)c3cc(OC(=O)c4cccc5ccccc54)cc1c32 ZINC000049694345 563203118 /nfs/dbraw/zinc/20/31/18/563203118.db2.gz PQKWYVXFDWMVBP-UHFFFAOYSA-N -1 0 495.560 5.075 1 0 JKAFRM C[C@@H](CO)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049722923 563203267 /nfs/dbraw/zinc/20/32/67/563203267.db2.gz OSVQBBMHHPCLEQ-AXOVLVJBSA-N -1 0 474.726 6.142 1 0 JKAFRM C[C@@H]1C[C@@H](N(C(=O)CCCC(=O)[O-])c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049785680 563203815 /nfs/dbraw/zinc/20/38/15/563203815.db2.gz KBZFWHNDKMHXMD-CJFMBICVSA-N -1 0 456.542 5.455 1 0 JKAFRM C[C@@H]1C[C@H](N(C(=O)CCCC(=O)[O-])c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049785678 563203820 /nfs/dbraw/zinc/20/38/20/563203820.db2.gz KBZFWHNDKMHXMD-NLFFAJNJSA-N -1 0 456.542 5.455 1 0 JKAFRM O=C([O-])CCc1nc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccccc2)o1 ZINC000049823355 563204404 /nfs/dbraw/zinc/20/44/04/563204404.db2.gz MQJHUYYHAYCFFF-UHFFFAOYSA-N -1 0 450.494 6.153 1 0 JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000049881455 563204574 /nfs/dbraw/zinc/20/45/74/563204574.db2.gz NZCULBURCGAPSF-KTWGDNJDSA-N -1 0 472.710 6.062 1 0 JKAFRM O=S(=O)([N-]c1ccc(Cl)cc1SC(Cl)(Cl)Cl)c1cc(Cl)sc1Cl ZINC000053243399 563205393 /nfs/dbraw/zinc/20/53/93/563205393.db2.gz DOLNHLRWGHDZHZ-UHFFFAOYSA-N -1 0 492.085 6.929 1 0 JKAFRM CCCC[C@@H](Sc1nc(OCCc2ccc(C)cc2)cc(OCCc2ccc(C)cc2)n1)C(=O)[O-] ZINC000053312842 563205802 /nfs/dbraw/zinc/20/58/02/563205802.db2.gz BUCFYPOIQPKROS-XMMPIXPASA-N -1 0 494.657 6.072 1 0 JKAFRM O=C([O-])c1c(-c2ccccc2)sc2c(C3CC3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000058540757 563207098 /nfs/dbraw/zinc/20/70/98/563207098.db2.gz FOJPQRMSJTVRRF-UHFFFAOYSA-N -1 0 451.547 6.348 1 0 JKAFRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2Cc2ccccc2)cc1CC1CCCCC1 ZINC000058554617 563207239 /nfs/dbraw/zinc/20/72/39/563207239.db2.gz ZDRJDFICBFPYHL-UHFFFAOYSA-N -1 0 457.570 6.359 1 0 JKAFRM O=C([O-])c1c(Cc2ccccc2)sc2c(C3CC3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000058563612 563207320 /nfs/dbraw/zinc/20/73/20/563207320.db2.gz VTWZBPNCNBFHII-UHFFFAOYSA-N -1 0 465.574 6.271 1 0 JKAFRM O=C([O-])[C@@H]1CSc2c(-c3ccc(Br)cc3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000058582706 563207827 /nfs/dbraw/zinc/20/78/27/563207827.db2.gz IQRRHQCOMQMQLZ-NRFANRHFSA-N -1 0 492.394 5.753 1 0 JKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(Cc2cc(F)cc(F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000059285894 563209023 /nfs/dbraw/zinc/20/90/23/563209023.db2.gz PTGUTFMZXRSCAX-XMMPIXPASA-N -1 0 462.458 7.456 1 0 JKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCC(C(F)(F)F)CC2)c1 ZINC000059278753 563209028 /nfs/dbraw/zinc/20/90/28/563209028.db2.gz MJUSJIQNRAEFTH-QFIPXVFZSA-N -1 0 487.484 7.365 1 0 JKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CC[C@@H](C(F)(F)F)NC2)c1 ZINC000059286294 563209030 /nfs/dbraw/zinc/20/90/30/563209030.db2.gz OGWOJUXJMFGKJH-SSKFGXFMSA-N -1 0 487.484 6.985 1 0 JKAFRM CCC[C@@H]1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)[O-])c1 ZINC000059278736 563209039 /nfs/dbraw/zinc/20/90/39/563209039.db2.gz CVWIBBMWXKNGBL-ILBGXUMGSA-N -1 0 461.568 7.746 1 0 JKAFRM Cc1cc(C(=O)Nc2cc(CC(=O)[O-])ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 ZINC000059648627 563209162 /nfs/dbraw/zinc/20/91/62/563209162.db2.gz SNYPIGRUBSRSAK-IBGZPJMESA-N -1 0 494.975 5.112 1 0 JKAFRM C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)[O-] ZINC000255271504 570106401 /nfs/dbraw/zinc/10/64/01/570106401.db2.gz UIRXJKGUEOMVRD-FDTFFMCKSA-N -1 0 456.711 7.400 1 0 JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])C(=C3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000095619496 571798404 /nfs/dbraw/zinc/79/84/04/571798404.db2.gz NOHMTCLUYAVQEY-LNPVHYBDSA-N -1 0 472.710 6.349 1 0 endogenous,in-man JKAFRM CC1(C)C[C@@H]2C3=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@]2(C(=O)[O-])C[C@@H]1O ZINC000100777332 571823767 /nfs/dbraw/zinc/82/37/67/571823767.db2.gz CFKXWTNHIJAFNL-RDARQNPFSA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2C1 ZINC000100777618 571824673 /nfs/dbraw/zinc/82/46/73/571824673.db2.gz GBMBQYFNPMVAMS-DTVCPYFRSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@@]3(C)CC[C@H]12 ZINC000100777718 571825230 /nfs/dbraw/zinc/82/52/30/571825230.db2.gz CZWBKSDPBWNHGO-ZYRKSGAMSA-N -1 0 472.710 6.206 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5=CC[C@]43C)[C@@H]2C1 ZINC000100777728 571825247 /nfs/dbraw/zinc/82/52/47/571825247.db2.gz FJGGNIPUSLFYJJ-YUUNUNKSSA-N -1 0 486.693 5.097 1 0 endogenous,in-man JKAFRM C[C@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100778525 571828107 /nfs/dbraw/zinc/82/81/07/571828107.db2.gz ZZTYPLSBNNGEIS-KKQDOJOVSA-N -1 0 472.710 6.204 1 0 endogenous,in-man JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@]1(C)CC3 ZINC000100778888 571829274 /nfs/dbraw/zinc/82/92/74/571829274.db2.gz XKLPFWHBIRYSNP-VCSLYMHPSA-N -1 0 454.695 7.586 1 0 endogenous,in-man JKAFRM CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]2[C@@]1(C)CC3 ZINC000100778889 571829690 /nfs/dbraw/zinc/82/96/90/571829690.db2.gz XKLPFWHBIRYSNP-NPWVGIPUSA-N -1 0 454.695 7.586 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100779391 571830907 /nfs/dbraw/zinc/83/09/07/571830907.db2.gz KQTSQSVDAUIWJH-QNRGQSCNSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C ZINC000100779925 571832135 /nfs/dbraw/zinc/83/21/35/571832135.db2.gz LBYASJQBHLSHBP-KQYYXGAISA-N -1 0 488.709 5.321 1 0 endogenous,in-man JKAFRM CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2CC=C2[C@@H]3C[C@](C)(C(=O)[O-])CC[C@@]3(C)CC[C@]21C ZINC000100781810 571836129 /nfs/dbraw/zinc/83/61/29/571836129.db2.gz CGZZFWMLSVHLFZ-HUVWJXBFSA-N -1 0 454.695 7.442 1 0 endogenous,in-man JKAFRM CC1=C2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C(=O)[O-])CC[C@@H]1C ZINC000100781830 571836497 /nfs/dbraw/zinc/83/64/97/571836497.db2.gz SHLWEZVZPAYIHX-PRBPVIOYSA-N -1 0 452.679 7.362 1 0 endogenous,in-man JKAFRM CC1=C2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]2(C(=O)[O-])CC[C@@H]1C ZINC000100781834 571836543 /nfs/dbraw/zinc/83/65/43/571836543.db2.gz SHLWEZVZPAYIHX-XLBUOZRYSA-N -1 0 452.679 7.362 1 0 endogenous,in-man JKAFRM C[C@@]1(CO)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(C(=O)[O-])CC(=O)[C@@]5(C)CC[C@@]4(C)[C@@]3(C)CC[C@H]12 ZINC000100782678 571838089 /nfs/dbraw/zinc/83/80/89/571838089.db2.gz MVTZJCYINFKILV-FDMRTLAJSA-N -1 0 486.693 5.385 1 0 endogenous,in-man JKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100783761 571840662 /nfs/dbraw/zinc/84/06/62/571840662.db2.gz NMCMUIZIKSPDCX-FVPWHPQWSA-N -1 0 470.694 6.413 1 0 endogenous,in-man JKAFRM CC(C)C[C@@H](c1c([O-])c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000014584572 574413497 /nfs/dbraw/zinc/41/34/97/574413497.db2.gz IBLPTYJTKWQCDX-KRRNQYTASA-N -1 0 472.622 5.408 1 0 endogenous,in-man JKAFRM C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-] ZINC000034083353 574414198 /nfs/dbraw/zinc/41/41/98/574414198.db2.gz VOYZLKWKVLYJHD-JFJGVNHNSA-N -1 0 454.695 7.608 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)[C@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2[C@H]1C ZINC000095619512 574417084 /nfs/dbraw/zinc/41/70/84/574417084.db2.gz DZLAZTJTKXGAGR-ZULNDKKXSA-N -1 0 472.710 6.060 1 0 endogenous,in-man JKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@@H](C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000100778653 574418814 /nfs/dbraw/zinc/41/88/14/574418814.db2.gz YJBVHJIKNLBFDX-LFUQHORNSA-N -1 0 498.748 7.660 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@@H](C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 ZINC000100779176 574418839 /nfs/dbraw/zinc/41/88/39/574418839.db2.gz JXSVIVRDWWRQRT-BTFBUNRZSA-N -1 0 488.709 5.033 1 0 endogenous,in-man JKAFRM C[C@@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC[C@]1(C)O ZINC000100780253 574418875 /nfs/dbraw/zinc/41/88/75/574418875.db2.gz UYHSBQDAYWOYNS-QWFIAEKNSA-N -1 0 486.693 5.383 1 0 endogenous,in-man JKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100781610 574418909 /nfs/dbraw/zinc/41/89/09/574418909.db2.gz JPGOJQJBPLCRQP-QOPCDSHQSA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100781607 574418910 /nfs/dbraw/zinc/41/89/10/574418910.db2.gz JPGOJQJBPLCRQP-ZLEMTQKUSA-N -1 0 488.709 5.175 1 0 endogenous,in-man JKAFRM Cc1ccc(-c2ccc(C(C)C)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)cc1 ZINC000027524041 581092024 /nfs/dbraw/zinc/09/20/24/581092024.db2.gz XFEHAFSETWBAJC-DHIUTWEWSA-N -1 0 466.549 5.557 1 0 JKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)C3CCCCC3)c1)C1CC1)CCCCCC2 ZINC000100764254 581101470 /nfs/dbraw/zinc/10/14/70/581101470.db2.gz PZBIYZSZFJEYLQ-DEOSSOPVSA-N -1 0 485.646 5.621 1 0 JKAFRM