smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)c(C)c(C)c2O1)C(=O)[O-] ZINC000014691456 291396274 /nfs/dbraw/zinc/39/62/74/291396274.db2.gz CEDDAIQBDLSHBB-AUFPXJTMSA-N -1 0 438.608 7.437 1 0 biogenic,in-vitro IKAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569468 291397087 /nfs/dbraw/zinc/39/70/87/291397087.db2.gz DAKURGFNVJYETQ-UHFFFAOYSA-N -1 0 432.472 5.072 1 0 biogenic,in-vitro IKAFRM O=C([O-])[C@@H](C/C=C/C[C@H](CCCCCC[C@@H]1C=CCC1)Cc1ccc(O)cc1)CCCO ZINC000085489289 291411265 /nfs/dbraw/zinc/41/12/65/291411265.db2.gz JIBHLEVJTWDOIG-UQXVZDQISA-N -1 0 442.640 6.667 1 0 biogenic,in-vitro IKAFRM O=C([O-])c1cc(Cl)cc2c1N[C@@H](c1ccc(OC(F)(F)F)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]21 ZINC000012429105 526345691 /nfs/dbraw/zinc/34/56/91/526345691.db2.gz PGWVIXVBAURRHU-HIPDZTLRSA-N -1 0 437.845 6.233 2 0 IKAFRM C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@@](C)(C(=O)[O-])CCC[C@@]13C ZINC000095911267 560058279 /nfs/dbraw/zinc/05/82/79/560058279.db2.gz DQBAMWXMUCSBLO-LEYALQROSA-N -1 0 438.564 5.279 1 0 biogenic,in-vitro IKAFRM CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](C(=O)[O-])[C@@H]1CC3 ZINC000012494904 560212339 /nfs/dbraw/zinc/21/23/39/560212339.db2.gz JHIWIFRQJXLNEU-VEDQOSQMSA-N -1 0 428.657 6.764 1 0 in-vitro IKAFRM CC(C)(C)CN1c2ccc(Cl)cc2[C@H](c2ccccc2Cl)O[C@H](CC(=O)[O-])C1=O ZINC000013515211 560218129 /nfs/dbraw/zinc/21/81/29/560218129.db2.gz BHDQOMHFEOHAQK-QUCCMNQESA-N -1 0 436.335 5.335 1 0 in-vitro IKAFRM O=C([O-])CNc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000000589548 562918339 /nfs/dbraw/zinc/91/83/39/562918339.db2.gz JFYTYRHCPJCFLR-UHFFFAOYSA-N -1 0 445.522 6.574 1 0 IKAFRM Cc1oc(-c2cccc(C)c2)nc1Cc1cc2cc(C[C@H]3SC(=O)[N-]C3=O)ccc2o1 ZINC000001483002 562922164 /nfs/dbraw/zinc/92/21/64/562922164.db2.gz RRYQYSCJUAIIMB-OAQYLSRUSA-N -1 0 432.501 5.190 1 0 IKAFRM O=C([O-])c1ccc([C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001534474 562922485 /nfs/dbraw/zinc/92/24/85/562922485.db2.gz JAPXAZLOWZNVRV-AREMUKBSSA-N -1 0 435.523 5.617 1 0 IKAFRM O=C([O-])c1ccc(NC(=O)OCCC2c3cc(Cl)ccc3-c3ccc(Cl)cc32)cc1 ZINC000001536233 562922569 /nfs/dbraw/zinc/92/25/69/562922569.db2.gz PGIFNMLEHONLJH-UHFFFAOYSA-N -1 0 442.298 6.443 1 0 IKAFRM CC(C)c1cc(-c2ccc(C(=O)[O-])cc2)cc(C(C)C)c1OCC(=O)N(C(C)C)C(C)C ZINC000001544724 562922750 /nfs/dbraw/zinc/92/27/50/562922750.db2.gz LAEZKGLLEDFDOM-UHFFFAOYSA-N -1 0 439.596 6.323 1 0 IKAFRM CCCCc1ncc(/C=C(\Cc2ccc(C)s2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000001552606 562922919 /nfs/dbraw/zinc/92/29/19/562922919.db2.gz RSZVFSZUNJOHTM-LDADJPATSA-N -1 0 428.985 6.008 1 0 IKAFRM CC[C@@H](OC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000001913106 562925374 /nfs/dbraw/zinc/92/53/74/562925374.db2.gz IMZLMODVPJWIKO-BFUOFWGJSA-N -1 0 447.959 6.645 1 0 IKAFRM Cc1oc(-c2ccccc2C)nc1Cc1cc2cc(C[C@H]3SC(=O)[N-]C3=O)ccc2o1 ZINC000003787013 562937920 /nfs/dbraw/zinc/93/79/20/562937920.db2.gz FWJHEIJICNRLKZ-OAQYLSRUSA-N -1 0 432.501 5.190 1 0 IKAFRM CCc1cc(OCc2ccc3ccccc3n2)cc2c3c([nH]c21)[C@](CC)(CC(=O)[O-])OCC3 ZINC000003790474 562938030 /nfs/dbraw/zinc/93/80/30/562938030.db2.gz ADGHWUIFRLQCKN-MHZLTWQESA-N -1 0 444.531 5.510 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2C)cc1 ZINC000003797683 562938140 /nfs/dbraw/zinc/93/81/40/562938140.db2.gz LVMONIJOVGXDFX-DEOSSOPVSA-N -1 0 429.520 5.172 1 0 IKAFRM Cc1cc2c(cc1C(=O)[O-])CC[C@H]1[C@@H]3CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)CC[C@H]21 ZINC000003799790 562938202 /nfs/dbraw/zinc/93/82/02/562938202.db2.gz DVARFDISJQHUDR-XEFJNMLLSA-N -1 0 425.613 5.811 1 0 IKAFRM CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3Cl)oc2C)c1)C(=O)[O-] ZINC000003942732 562939707 /nfs/dbraw/zinc/93/97/07/562939707.db2.gz PAWOPJKHTZCKMT-QFIPXVFZSA-N -1 0 438.911 5.339 1 0 in-vivo IKAFRM CCCCc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)[O-])cc2)c1-c1ccccc1 ZINC000003949873 562939768 /nfs/dbraw/zinc/93/97/68/562939768.db2.gz VQVMRAKFGMGHHR-SFQUDFHCSA-N -1 0 438.523 7.445 1 0 in-vitro IKAFRM CCCCCC[C@@H]1[C@H](C(=O)[O-])[C@H]1[C@@]([NH3+])(CC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000004394184 562943231 /nfs/dbraw/zinc/94/32/31/562943231.db2.gz HOARSDISRSQYDP-AKBCKCPUSA-N -1 0 437.536 5.014 1 0 IKAFRM COc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c2c(c1CCC(=O)[O-])CCCC2 ZINC000004617831 562943354 /nfs/dbraw/zinc/94/33/54/562943354.db2.gz JROBWQZZQGDCLF-QNGOZBTKSA-N -1 0 442.515 5.079 1 0 IKAFRM O=C1OC(=C(c2nc3ccccc3[nH]2)c2ccc(Cl)cc2)C([O-])=C1c1ccc(Cl)cc1 ZINC000005545515 562944148 /nfs/dbraw/zinc/94/41/48/562944148.db2.gz UZYIFAWGHWHKOJ-XDOYNYLZSA-N -1 0 449.293 6.155 1 0 IKAFRM O=C(Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2)c1cccc(Cl)c1 ZINC000008680116 562961434 /nfs/dbraw/zinc/96/14/34/562961434.db2.gz KYONJIWWABRGQD-UHFFFAOYSA-N -1 0 426.255 5.725 3 0 aggregator IKAFRM COc1ccccc1C(=O)C[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(C(=O)[O-])c1 ZINC000011686138 562979081 /nfs/dbraw/zinc/97/90/81/562979081.db2.gz WEERLGCFQSCGET-IBGZPJMESA-N -1 0 436.891 5.676 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000011687262 562979083 /nfs/dbraw/zinc/97/90/83/562979083.db2.gz ARHOSMNWKKLMPB-XMMPIXPASA-N -1 0 429.520 5.172 1 0 IKAFRM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2F)c(Oc2ccccc2)c1 ZINC000012341154 562981157 /nfs/dbraw/zinc/98/11/57/562981157.db2.gz AVVARKGMXIXRLG-UHFFFAOYSA-N -1 0 445.421 6.375 1 0 IKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1cccc(C(=O)[O-])c1 ZINC000012358237 562981647 /nfs/dbraw/zinc/98/16/47/562981647.db2.gz SVBBMAZHJYPQMV-UHFFFAOYSA-N -1 0 445.515 6.384 1 0 IKAFRM CCCc1cc(-c2ccccc2)ccc1OCCCOc1cccc([C@@H]2OC(=O)[N-]C2=O)c1 ZINC000012358515 562981707 /nfs/dbraw/zinc/98/17/07/562981707.db2.gz MGGDNQNEQAXVQA-VWLOTQADSA-N -1 0 445.515 5.462 1 0 IKAFRM CCCc1cc(-c2ccccc2)ccc1OCCCOc1cccc([C@H]2OC(=O)[N-]C2=O)c1 ZINC000012358516 562981728 /nfs/dbraw/zinc/98/17/28/562981728.db2.gz MGGDNQNEQAXVQA-RUZDIDTESA-N -1 0 445.515 5.462 1 0 IKAFRM CCCc1c2oc(=O)n(CC)c2cc(Cl)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358597 562981752 /nfs/dbraw/zinc/98/17/52/562981752.db2.gz NIUAMYAEHXOIEB-IBGZPJMESA-N -1 0 431.916 5.548 1 0 IKAFRM CCCc1cc2c(oc(=O)n2C)c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358590 562981787 /nfs/dbraw/zinc/98/17/87/562981787.db2.gz VSBAWOCZJWUIIT-QFIPXVFZSA-N -1 0 425.525 5.365 1 0 IKAFRM CC(C)N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000012503546 562982564 /nfs/dbraw/zinc/98/25/64/562982564.db2.gz UKNZREOUDLFUFF-UHFFFAOYSA-N -1 0 434.344 6.475 1 0 in-vivo IKAFRM CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)[O-])c(CCCCC)c1 ZINC000013370383 562985774 /nfs/dbraw/zinc/98/57/74/562985774.db2.gz BEFYPHLCGVCBFF-UHFFFAOYSA-N -1 0 430.497 5.186 1 0 IKAFRM COc1ccc2c(c1)O[C@H](C=C(C)C)c1c(=O)c3c(O)c(C=CC(C)C)c([O-])cc3oc1-2 ZINC000013414439 562986000 /nfs/dbraw/zinc/98/60/00/562986000.db2.gz FUOITKFXHPXSCA-CPSHHHPTSA-N -1 0 434.488 5.949 1 0 endogenous,in-man IKAFRM CCC(=O)O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)/C(C)=C/Cc1c([O-])cc(C)c(C=O)c1O ZINC000013432957 562986004 /nfs/dbraw/zinc/98/60/04/562986004.db2.gz VLFRJRBSRCFKPU-AXNCTASFSA-N -1 0 444.568 5.061 1 0 in-vivo IKAFRM COC(=O)c1cccc(-c2ccc(NCc3cccc([S-])c3)cc2-c2ccccc2)c1 ZINC000013471860 562987861 /nfs/dbraw/zinc/98/78/61/562987861.db2.gz BTHZULPQBZZWQC-UHFFFAOYSA-N -1 0 425.553 6.708 1 0 IKAFRM CC(C)Oc1ccc2c(c1)C(c1ccccc1)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000013473472 562988391 /nfs/dbraw/zinc/98/83/91/562988391.db2.gz RHLFGQPJHHGTED-RUZDIDTESA-N -1 0 430.456 5.223 1 0 IKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cccc([C@H](C)CC(=O)[O-])c2)cc1 ZINC000013474614 562988735 /nfs/dbraw/zinc/98/87/35/562988735.db2.gz MIJPMFDJDTXPFB-GOSISDBHSA-N -1 0 445.519 5.398 1 0 IKAFRM O=C([O-])c1ccc(C=C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013475205 562988876 /nfs/dbraw/zinc/98/88/76/562988876.db2.gz KRQMUBFFTJVZGO-UHFFFAOYSA-N -1 0 425.528 5.613 1 0 IKAFRM O=C([O-])Cc1ccc(C=C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013475213 562988900 /nfs/dbraw/zinc/98/89/00/562988900.db2.gz UMCMCIAWGQRQBJ-UHFFFAOYSA-N -1 0 425.528 5.152 1 0 IKAFRM COc1cc(C(=O)[O-])ccc1C=C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000013475204 562988903 /nfs/dbraw/zinc/98/89/03/562988903.db2.gz IEVNDLOCFPZGGQ-UHFFFAOYSA-N -1 0 441.527 5.231 1 0 IKAFRM CCCC[C@@H](C(=O)[O-])n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cn(C)c1=O ZINC000013488124 562989620 /nfs/dbraw/zinc/98/96/20/562989620.db2.gz CZAZUEKQXHTTFR-QFIPXVFZSA-N -1 0 436.552 5.760 1 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(/C=C/C(=O)[O-])c(C)c1 ZINC000013489473 562989854 /nfs/dbraw/zinc/98/98/54/562989854.db2.gz MRQBQZNVLNJRQR-UXBLZVDNSA-N -1 0 433.451 6.123 1 0 IKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 ZINC000013489808 562989987 /nfs/dbraw/zinc/98/99/87/562989987.db2.gz VMKJKSGGERWXIK-UHFFFAOYSA-N -1 0 447.762 6.058 1 0 IKAFRM Cc1ccc(C(=O)Nc2c3ccccc3ccc2C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000013489817 562990123 /nfs/dbraw/zinc/99/01/23/562990123.db2.gz UWAMHBPMRVELSG-UHFFFAOYSA-N -1 0 427.344 5.713 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C\CCCC(=O)[O-])[C@H]2NC(=O)c1csc2ccccc21 ZINC000013521505 562991316 /nfs/dbraw/zinc/99/13/16/562991316.db2.gz FLLSTOWANOUPLX-JCMHDSIZSA-N -1 0 425.594 5.883 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C\CCCC(=O)[O-])[C@H]2NC(=O)c1csc2cc(O)ccc12 ZINC000013521514 562991336 /nfs/dbraw/zinc/99/13/36/562991336.db2.gz XBMHFWWINKBETI-MFJOXFORSA-N -1 0 441.593 5.589 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=C(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000013545812 562992839 /nfs/dbraw/zinc/99/28/39/562992839.db2.gz TXEBOZXNQWFPJZ-ITYOZXKKSA-N -1 0 429.645 5.912 1 0 IKAFRM C[C@@H](Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)[O-] ZINC000013554038 562993077 /nfs/dbraw/zinc/99/30/77/562993077.db2.gz LQHOQNMRXOSDNF-IBGZPJMESA-N -1 0 428.553 6.924 1 0 IKAFRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013557926 562993465 /nfs/dbraw/zinc/99/34/65/562993465.db2.gz INYFRBFYNBPJAP-UHFFFAOYSA-N -1 0 446.503 5.196 1 0 IKAFRM O=S(=O)([N-]c1ccc2c(/C=C/c3ccc4ccccc4c3)cccc2c1)C(F)(F)F ZINC000013560085 562994087 /nfs/dbraw/zinc/99/40/87/562994087.db2.gz ATHGVPHRNPUWDL-PKNBQFBNSA-N -1 0 427.447 6.425 1 0 IKAFRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(cccc3OCc3cccc(Cl)c3)c2)cc1 ZINC000013560104 562994094 /nfs/dbraw/zinc/99/40/94/562994094.db2.gz XCAWZPZVOHCSJG-UHFFFAOYSA-N -1 0 431.875 6.023 1 0 IKAFRM C=Cc1c2oc(-c3ccc(O)c(F)c3)nc2c(Br)c([O-])c1Br ZINC000013583737 562994901 /nfs/dbraw/zinc/99/49/01/562994901.db2.gz BNIOVAWOIGCLML-UHFFFAOYSA-N -1 0 429.039 5.213 1 0 IKAFRM C[C@](Cc1ccc(Cl)cc1)(Oc1ccc([C@@H]2CCSc3ccccc32)cc1)C(=O)[O-] ZINC000013604852 562997126 /nfs/dbraw/zinc/99/71/26/562997126.db2.gz CJRBXBXGHGXTQD-SQJMNOBHSA-N -1 0 438.976 6.433 1 0 IKAFRM CN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccccc1Cl ZINC000013609949 562997707 /nfs/dbraw/zinc/99/77/07/562997707.db2.gz YRKLWUFLMYGEPW-UHFFFAOYSA-N -1 0 438.955 5.796 1 0 IKAFRM O=C([O-])c1cccc(-c2ccc(CN3C(=O)C(=O)c4c3c(Cl)ccc4Cl)cc2)c1 ZINC000013652609 562999329 /nfs/dbraw/zinc/99/93/29/562999329.db2.gz IILCAELNJUBPRT-UHFFFAOYSA-N -1 0 426.255 5.088 1 0 IKAFRM CC(SCCc1coc2c1cccc2OCC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000013671552 562999937 /nfs/dbraw/zinc/99/99/37/562999937.db2.gz SDGUUEATIIAOTG-UHFFFAOYSA-N -1 0 432.541 6.136 1 0 IKAFRM CC(C)COc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1CCC(=O)[O-] ZINC000013678372 563000649 /nfs/dbraw/zinc/00/06/49/563000649.db2.gz GOSJATSGYBITIZ-UHFFFAOYSA-N -1 0 432.516 5.549 1 0 IKAFRM CC(C)COc1ccc(C(=O)c2ccc(OCc3ccccc3)c(CCC(=O)[O-])c2)cc1 ZINC000013678370 563000677 /nfs/dbraw/zinc/00/06/77/563000677.db2.gz NJXNIHHAPNCPSO-UHFFFAOYSA-N -1 0 432.516 5.549 1 0 IKAFRM CC[C@@H](C)c1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c([O-])c21 ZINC000013680067 563000852 /nfs/dbraw/zinc/00/08/52/563000852.db2.gz JHCBATBSFYHDSP-CYBMUJFWSA-N -1 0 425.937 6.921 1 0 IKAFRM CC(C)(CCCCCc1cc(-c2ccccc2)sc1CCCc1ccccc1)C(=O)[O-] ZINC000013726652 563001394 /nfs/dbraw/zinc/00/13/94/563001394.db2.gz GVIHRIFMDICCIS-UHFFFAOYSA-N -1 0 434.645 7.804 1 0 IKAFRM Cc1ccccc1-c1nc(CCc2cccc(OCC(=O)[O-])c2)oc1-c1ccccc1C ZINC000013727424 563001475 /nfs/dbraw/zinc/00/14/75/563001475.db2.gz RUHQZPACWXTUES-UHFFFAOYSA-N -1 0 427.500 5.874 1 0 IKAFRM Cc1ccc(-c2nc(CCc3cccc(OCC(=O)[O-])c3)oc2-c2ccc(C)cc2)cc1 ZINC000013727443 563001550 /nfs/dbraw/zinc/00/15/50/563001550.db2.gz XUNNLDZXRHVWDC-UHFFFAOYSA-N -1 0 427.500 5.874 1 0 IKAFRM CC(C)(CCCCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2n1)C(=O)[O-] ZINC000013729646 563001730 /nfs/dbraw/zinc/00/17/30/563001730.db2.gz XDLDZRQBEVLLNY-UHFFFAOYSA-N -1 0 431.454 6.581 1 0 IKAFRM CCCCc1nc2c(cccc2NC(C)=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732023 563001875 /nfs/dbraw/zinc/00/18/75/563001875.db2.gz GGORSLNOZHLIQM-UHFFFAOYSA-N -1 0 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CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=C\C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000029409958 563079814 /nfs/dbraw/zinc/07/98/14/563079814.db2.gz MPQBNNZVAZNECG-CIEIUQOUSA-N -1 0 441.656 6.222 1 0 IKAFRM CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)[O-])c-2cc1 ZINC000029411487 563079910 /nfs/dbraw/zinc/07/99/10/563079910.db2.gz VEMJQFPYGMUDGO-UHFFFAOYSA-N -1 0 445.968 5.641 1 0 IKAFRM CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(C(=O)[O-])c-2cc1 ZINC000029412471 563079934 /nfs/dbraw/zinc/07/99/34/563079934.db2.gz WOHOGBVYNVOMOQ-UHFFFAOYSA-N -1 0 439.577 5.768 1 0 IKAFRM O=C([O-])c1ccc(-c2ccc(-c3cc4c(s3)c(Cl)ccc4Cl)[nH]2)c2ccccc12 ZINC000029463593 563080224 /nfs/dbraw/zinc/08/02/24/563080224.db2.gz AZVFNJGVSOUSIR-UHFFFAOYSA-N -1 0 438.335 7.722 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(CC(=O)[O-])=CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000029465024 563080305 /nfs/dbraw/zinc/08/03/05/563080305.db2.gz OITZRVNFLKKVDS-JNGDMFNZSA-N -1 0 443.672 6.302 1 0 IKAFRM 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CC(C)=C(C)c1cccc2c(CCCOc3cccc(Cl)c3Cl)c(C(=O)[O-])[nH]c21 ZINC000063298069 563152264 /nfs/dbraw/zinc/15/22/64/563152264.db2.gz PVPLRSZFJZXNCU-UHFFFAOYSA-N -1 0 432.347 6.998 1 0 IKAFRM O=c1nc(NCc2ccc3occc3c2)nc(Nc2c(F)cccc2-c2ccccc2)[n-]1 ZINC000064528224 563154779 /nfs/dbraw/zinc/15/47/79/563154779.db2.gz LYWWKUFNPJSVIN-UHFFFAOYSA-N -1 0 427.439 5.073 1 0 IKAFRM CC(C)(C)CN(C(=O)CCC(=O)[O-])c1ccc(Cl)cc1[C@H](O)c1ccccc1Cl ZINC000066077981 563157775 /nfs/dbraw/zinc/15/77/75/563157775.db2.gz VBNIDENTQUQPOG-OAQYLSRUSA-N -1 0 438.351 5.319 1 0 IKAFRM O=C([N-][C@@H](c1cccc(Br)c1)[C@H]1CCCC=C1c1ccccc1)C(F)(F)F ZINC000066136612 563159539 /nfs/dbraw/zinc/15/95/39/563159539.db2.gz COWFXQAIUJJNAN-OALUTQOASA-N -1 0 438.287 6.052 1 0 IKAFRM O=C([O-])C1=Cc2cc(Cl)c(OCC3CCCCC3)c(Cl)c2O[C@H]1C(F)(F)F ZINC000066259176 563160499 /nfs/dbraw/zinc/16/04/99/563160499.db2.gz IYNNULVHDYXAQY-MRXNPFEDSA-N -1 0 425.230 5.744 1 0 IKAFRM O=C([O-])c1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c(-c2ccsc2)c1F ZINC000071318303 563162079 /nfs/dbraw/zinc/16/20/79/563162079.db2.gz UCVZALDHMMNEQF-UHFFFAOYSA-N -1 0 432.394 6.971 1 0 IKAFRM COC(=O)/C(=C\CC/C(C)=C/CC/C(C)=C/CCc1ccoc1)CC/C=C(\C)C(=O)[O-] ZINC000072109365 563163255 /nfs/dbraw/zinc/16/32/55/563163255.db2.gz OAOUOCLVLBNQNV-STZPRAENSA-N -1 0 428.569 6.576 1 0 IKAFRM CCCC[C@H](Cc1cccc(OCCc2ccccc2)c1OCCc1ccccc1)C(=O)[O-] ZINC000072113151 563163512 /nfs/dbraw/zinc/16/35/12/563163512.db2.gz YDHGSYFSHRPUIJ-AREMUKBSSA-N -1 0 446.587 6.363 1 0 IKAFRM O=C([O-])c1c(-c2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1Cc1cccc(Cl)c1 ZINC000072179964 563166636 /nfs/dbraw/zinc/16/66/36/563166636.db2.gz ZEMSXFYGJXHMBM-UHFFFAOYSA-N -1 0 440.282 6.090 1 0 IKAFRM O=C([N-]S(=O)(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2ccccc2)c1 ZINC000072180759 563166958 /nfs/dbraw/zinc/16/69/58/563166958.db2.gz HCYBRYXTKVUFGW-UHFFFAOYSA-N -1 0 443.524 5.051 1 0 IKAFRM COc1ccc(CC(=O)[O-])cc1-c1ccccc1CN1C(=O)O[C@H](c2ccccc2)[C@@H]1C ZINC000073157762 563169224 /nfs/dbraw/zinc/16/92/24/563169224.db2.gz LSVALZAHMDHFLK-GKVSMKOHSA-N -1 0 431.488 5.071 1 0 IKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1/C=C/[C@@H]1CCCN(c2cccc(C(=O)[O-])c2)C1 ZINC000073239925 563171114 /nfs/dbraw/zinc/17/11/14/563171114.db2.gz HMXSROGXEBOZQQ-CRVDFBCUSA-N -1 0 438.980 6.400 1 0 IKAFRM Cc1ccc(-c2nc3sc(C(F)(F)F)nn3c2/C=C2\SC(=S)N=C2[O-])cc1 ZINC000073315638 563172504 /nfs/dbraw/zinc/17/25/04/563172504.db2.gz SDNQHRMMZWPQMF-POHAHGRESA-N -1 0 426.470 5.114 1 0 IKAFRM O=C([O-])CCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 ZINC000082154658 563173567 /nfs/dbraw/zinc/17/35/67/563173567.db2.gz OGKHLOKWFGATCA-UHFFFAOYSA-N -1 0 433.508 5.464 1 0 IKAFRM CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)[O-])cn(C)c43)no2)cc1Cl ZINC000084596614 563174116 /nfs/dbraw/zinc/17/41/16/563174116.db2.gz QQACDOZRGVIYQB-UHFFFAOYSA-N -1 0 439.899 5.353 1 0 IKAFRM O=C([O-])c1cccc(NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)c1 ZINC000084632074 563174723 /nfs/dbraw/zinc/17/47/23/563174723.db2.gz GQDGUEQVALMWAN-UHFFFAOYSA-N -1 0 436.552 5.038 1 0 IKAFRM COc1cccc([C@H]2O[C@H](CC(=O)[O-])c3ccc(Cl)n3-c3ccc(Cl)cc32)c1OC ZINC000084709755 563177207 /nfs/dbraw/zinc/17/72/07/563177207.db2.gz MLWVPFDQSBAUMK-WIYYLYMNSA-N -1 0 448.302 5.437 1 0 IKAFRM Cc1ccc(NC(=O)c2ccc3[nH]c(-c4c(C)cc(NCC(=O)[O-])cc4C)nc3c2)cc1C ZINC000084723071 563177987 /nfs/dbraw/zinc/17/79/87/563177987.db2.gz QMGIRPKEAZNXHA-UHFFFAOYSA-N -1 0 442.519 5.212 1 0 IKAFRM Cc1ccc(NC(=O)c2ccc3[nH]c(-c4c(C)cc(CCC(=O)[O-])cc4C)nc3c2)cc1C ZINC000084723074 563178020 /nfs/dbraw/zinc/17/80/20/563178020.db2.gz RBWJYHBKWYHRJD-UHFFFAOYSA-N -1 0 441.531 5.733 1 0 IKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000088282905 563180472 /nfs/dbraw/zinc/18/04/72/563180472.db2.gz GTSGYOURKJMREN-LJQANCHMSA-N -1 0 440.889 7.029 1 0 IKAFRM C[C@]12CC[C@@H]3c4cc(Br)c([O-])c(Br)c4CC[C@@H]3[C@@H]1CC[C@H]2O ZINC000090548879 563180598 /nfs/dbraw/zinc/18/05/98/563180598.db2.gz UTXNYGUZJLLOSP-HEBTVQMESA-N -1 0 430.180 5.134 1 0 IKAFRM Cc1cc2cnn(-c3ccc(F)cc3)c2cc1CCC(=O)CCc1ccc(F)cc1C(=O)[O-] ZINC000095558688 563181771 /nfs/dbraw/zinc/18/17/71/563181771.db2.gz DLUYVJPDWRVKQB-UHFFFAOYSA-N -1 0 448.469 5.445 1 0 IKAFRM Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)c2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000095562995 563182747 /nfs/dbraw/zinc/18/27/47/563182747.db2.gz WNFCPRXLLMTDPX-SFHVURJKSA-N -1 0 437.499 5.021 1 0 IKAFRM Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)c2ccccc2n1[C@H](C)C(=O)[O-] ZINC000095562996 563182841 /nfs/dbraw/zinc/18/28/41/563182841.db2.gz WNFCPRXLLMTDPX-GOSISDBHSA-N -1 0 437.499 5.021 1 0 IKAFRM Cc1c(OCc2ccc(-c3ccccc3)cc2)ccc2c(C)c(CCCC(=O)[O-])c(=O)oc12 ZINC000095574493 563185323 /nfs/dbraw/zinc/18/53/23/563185323.db2.gz YIMZKWNMSZEINE-UHFFFAOYSA-N -1 0 442.511 6.063 1 0 IKAFRM Cc1nc2ccccc2c(-c2cc(F)c3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)[O-] ZINC000095575709 563185808 /nfs/dbraw/zinc/18/58/08/563185808.db2.gz FPVPQIOUSAJQDM-DEOSSOPVSA-N -1 0 437.511 5.924 1 0 in-vitro IKAFRM O=C([O-])CC[C@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O ZINC000095576338 563185957 /nfs/dbraw/zinc/18/59/57/563185957.db2.gz HEBOZJBKVYFRSU-QTGUNEKASA-N -1 0 446.374 5.942 1 0 IKAFRM O=C([O-])CC[C@@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O ZINC000095577076 563186154 /nfs/dbraw/zinc/18/61/54/563186154.db2.gz HEBOZJBKVYFRSU-JMUQELJHSA-N -1 0 446.374 5.942 1 0 IKAFRM C[C@H](CCC(=O)N[C@@H](C)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095581331 563187577 /nfs/dbraw/zinc/18/75/77/563187577.db2.gz QHTTURBEVRCUOI-JFCMIJDJSA-N -1 0 447.660 5.012 1 0 IKAFRM O=S(=O)([N-]c1cscn1)c1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1 ZINC000095581418 563187599 /nfs/dbraw/zinc/18/75/99/563187599.db2.gz PGMGGVFMXBIFQY-UHFFFAOYSA-N -1 0 426.494 5.542 1 0 IKAFRM O=c1cc(C2CCOCC2)nc2c(Cc3cccc(Cl)c3Cl)c(C(F)(F)F)[n-]n21 ZINC000095582300 563187863 /nfs/dbraw/zinc/18/78/63/563187863.db2.gz XRRVKXNLNMOJHB-UHFFFAOYSA-N -1 0 446.256 5.245 1 0 IKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1F ZINC000095583467 563188294 /nfs/dbraw/zinc/18/82/94/563188294.db2.gz LSPLVRSTEXJOSX-UHFFFAOYSA-N -1 0 426.494 5.542 1 0 IKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1 ZINC000095584901 563188694 /nfs/dbraw/zinc/18/86/94/563188694.db2.gz CMAZVZXAPPJPPP-UHFFFAOYSA-N -1 0 426.494 5.542 1 0 IKAFRM O=C([O-])CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000095589790 563189820 /nfs/dbraw/zinc/18/98/20/563189820.db2.gz CPUUEDVSQQUHJT-UHFFFAOYSA-N -1 0 432.907 6.103 1 0 IKAFRM Cc1cc2c(cc1-n1c3ccc(C(=O)[O-])cc3nc1C(F)(F)F)C(C)(C)CCC2(C)C ZINC000095591319 563190287 /nfs/dbraw/zinc/19/02/87/563190287.db2.gz GBMUQLAGEWYKTJ-UHFFFAOYSA-N -1 0 430.470 6.400 1 0 IKAFRM O=C([O-])NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12 ZINC000095595129 563191305 /nfs/dbraw/zinc/19/13/05/563191305.db2.gz KVJDOWCFYMTZCC-UHFFFAOYSA-N -1 0 432.476 5.228 1 0 IKAFRM O=C(Nc1ccc(Oc2nc3ccccc3s2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000095610681 563194242 /nfs/dbraw/zinc/19/42/42/563194242.db2.gz KDQOKQMKZFPQBM-UHFFFAOYSA-N -1 0 431.300 6.353 1 0 IKAFRM C[C@H](CCc1ccccc1)Oc1c(C(=O)NC2(C(=O)[O-])CCCC2)ccc2ccccc21 ZINC000096170064 563195533 /nfs/dbraw/zinc/19/55/33/563195533.db2.gz GIIZQKNKHAEKQM-LJQANCHMSA-N -1 0 431.532 5.367 1 0 IKAFRM CC(C)c1[nH]nc2c1[C@H](c1ccccc1C(=O)[O-])N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177097 563196326 /nfs/dbraw/zinc/19/63/26/563196326.db2.gz YRJSKMMHUPVTKA-QHCPKHFHSA-N -1 0 443.528 5.710 1 0 IKAFRM Cc1cc(C)c(-c2cccc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])c2)c(C)c1 ZINC000096269863 563196690 /nfs/dbraw/zinc/19/66/90/563196690.db2.gz YYKPOIGAARJKEC-CJFMBICVSA-N -1 0 430.500 5.742 1 0 IKAFRM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000096924188 563198036 /nfs/dbraw/zinc/19/80/36/563198036.db2.gz JRNAYHKSRCFRIP-UHFFFAOYSA-N -1 0 449.359 6.474 1 0 IKAFRM O=C([O-])c1ccc(-n2c(/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000096928937 563198485 /nfs/dbraw/zinc/19/84/85/563198485.db2.gz XHDBUKRNMRJYGN-XNTDXEJSSA-N -1 0 428.513 5.195 1 0 IKAFRM O=S(=O)([N-]c1ccccn1)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000096935006 563199371 /nfs/dbraw/zinc/19/93/71/563199371.db2.gz QDCYVOHZOPNONG-UHFFFAOYSA-N -1 0 444.438 5.193 1 0 IKAFRM CCCc1nc2c(cc(NC(C)=O)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000096935315 563199454 /nfs/dbraw/zinc/19/94/54/563199454.db2.gz GTIKATHHODGEGX-UHFFFAOYSA-N -1 0 441.531 5.669 1 0 IKAFRM Cc1c(C)c2c(cc1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)[O-])O2 ZINC000085588858 571783740 /nfs/dbraw/zinc/78/37/40/571783740.db2.gz WPZHQZIUOXUCOK-FTSHWFHSSA-N -1 0 446.672 7.597 1 0 endogenous,in-man IKAFRM CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C(=O)[O-])[C@@H]1CC3 ZINC000040165478 574414652 /nfs/dbraw/zinc/41/46/52/574414652.db2.gz RODBXVVNKJCWQR-HBXBKDQQSA-N -1 0 430.673 6.844 1 0 endogenous,in-man IKAFRM O=c1c2c(oc([O-])c1[C@H](c1ccccc1)C1CC1)[C@H](C[C@H]1CCCCO1)CCCCCC2 ZINC000195353237 581099008 /nfs/dbraw/zinc/09/90/08/581099008.db2.gz XXSASKYQBJOXAE-WMTXJRDZSA-N -1 0 436.592 6.437 1 0 IKAFRM CC[C@@]1(C)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@]2(C)[C@@H]1CCC(=O)[O-] ZINC000036403425 291404195 /nfs/dbraw/zinc/40/41/95/291404195.db2.gz BFSGNXOBYJTARW-RKIYCPPPSA-N -1 0 444.744 8.733 1 0 biogenic,in-vitro IKAFRM COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@H](CCC(C)C)c2cc[nH]c2)c1=O ZINC000103533364 560050936 /nfs/dbraw/zinc/05/09/36/560050936.db2.gz UZIQJBYCTXNDCH-GOSISDBHSA-N -1 0 448.495 5.267 1 0 biogenic,in-vitro IKAFRM COc1c(C(C)C)oc2cc3oc(=O)c(-c4ccc(OC)c(OC)c4)c([O-])c3c(OC)c21 ZINC000095910589 560058573 /nfs/dbraw/zinc/05/85/73/560058573.db2.gz SYAFWVUSXSWFHH-UHFFFAOYSA-N -1 0 440.448 5.070 1 0 biogenic,in-vitro IKAFRM CC(C)(C)CN1c2ccc(Cl)cc2[C@@H](c2ccccc2Cl)O[C@H](CC(=O)[O-])C1=O ZINC000013515213 560218132 /nfs/dbraw/zinc/21/81/32/560218132.db2.gz BHDQOMHFEOHAQK-UYAOXDASSA-N -1 0 436.335 5.335 1 0 in-vitro IKAFRM CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000014592554 560222815 /nfs/dbraw/zinc/22/28/15/560222815.db2.gz JZQNTAVPVKXDHG-NDEPHWFRSA-N -1 0 438.781 10.480 1 0 in-vitro IKAFRM CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)[O-] ZINC000014769192 560226136 /nfs/dbraw/zinc/22/61/36/560226136.db2.gz WGXVWUXXHNEMLO-JLNKQSITSA-N -1 0 442.728 9.894 1 0 in-vitro IKAFRM CCO[C@H](Cc1ccc(OCCN2c3ccccc3CCc3ccccc32)cc1)C(=O)[O-] ZINC000000588580 562918226 /nfs/dbraw/zinc/91/82/26/562918226.db2.gz SRDPBHFWHKEGRQ-AREMUKBSSA-N -1 0 431.532 5.035 1 0 IKAFRM CCCCc1nc(Cl)c(C=O)n1Cc1ccc2nc(-c3ccccc3C(=O)[O-])oc2c1 ZINC000001535424 562922574 /nfs/dbraw/zinc/92/25/74/562922574.db2.gz KKMCUVJIZRUEOE-UHFFFAOYSA-N -1 0 437.883 5.246 1 0 IKAFRM CCO[C@H](Cc1ccc(OCC/C=C2/c3ccccc3COc3ccccc32)cc1)C(=O)[O-] ZINC000001547799 562922841 /nfs/dbraw/zinc/92/28/41/562922841.db2.gz QHYIJIGBWHKSCL-NVGHFZRZSA-N -1 0 444.527 5.512 1 0 IKAFRM CCCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000001548652 562922858 /nfs/dbraw/zinc/92/28/58/562922858.db2.gz RSILUKRAXKDBLW-UHFFFAOYSA-N -1 0 426.900 5.079 1 0 IKAFRM Cc1ccc(C2=CC(C)(C)Oc3cc4ccc(-c5ccc(C(=O)[O-])cc5)cc4cc32)s1 ZINC000001896358 562925286 /nfs/dbraw/zinc/92/52/86/562925286.db2.gz HFYASNDAIXLFTJ-UHFFFAOYSA-N -1 0 426.537 7.178 1 0 IKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl ZINC000003625561 562936921 /nfs/dbraw/zinc/93/69/21/562936921.db2.gz DTTPNOZPVNDFEZ-NRFANRHFSA-N -1 0 428.315 5.332 1 0 IKAFRM CC(C)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000003803559 562938286 /nfs/dbraw/zinc/93/82/86/562938286.db2.gz MFKQTGJYDWBUNK-ITWZMISCSA-N -1 0 449.522 5.278 1 0 IKAFRM O=C([O-])[C@@H]1C[C@H]1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 ZINC000003819450 562938682 /nfs/dbraw/zinc/93/86/82/562938682.db2.gz DCYHRPUPJCRAGG-BJKOFHAPSA-N -1 0 426.537 6.849 1 0 IKAFRM CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)c(C)c3)oc2C)c1)C(=O)[O-] ZINC000003942736 562939713 /nfs/dbraw/zinc/93/97/13/562939713.db2.gz MMOLYSUHEKSQBL-QHCPKHFHSA-N -1 0 436.483 5.133 1 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCc1ccc(OCC(=O)[O-])c(C)c1 ZINC000003976748 562940292 /nfs/dbraw/zinc/94/02/92/562940292.db2.gz GAMPIJLBSSQQJO-UHFFFAOYSA-N -1 0 435.467 5.694 1 0 IKAFRM O=C([O-])CCS[C@@H](C[C@@]1(c2ccc(Cl)cc2)NC(=O)CCS1)c1ccccc1 ZINC000006004514 562945653 /nfs/dbraw/zinc/94/56/53/562945653.db2.gz IERRFVNPGRBDLP-GHTZIAJQSA-N -1 0 435.998 5.085 1 0 IKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 ZINC000011086258 562978712 /nfs/dbraw/zinc/97/87/12/562978712.db2.gz WLPJLQNKCJWAFL-RGEXLXHISA-N -1 0 438.277 5.097 1 0 in-vivo IKAFRM CCO[C@@H](Cc1ccc(OCCCN2c3ccccc3CCc3ccccc32)cc1)C(=O)[O-] ZINC000012358188 562981497 /nfs/dbraw/zinc/98/14/97/562981497.db2.gz UCRMCPAGLIQUQC-MHZLTWQESA-N -1 0 445.559 5.425 1 0 IKAFRM CC[C@@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2O1 ZINC000012358561 562981734 /nfs/dbraw/zinc/98/17/34/562981734.db2.gz HSKSXVIDFRFRQN-MHZLTWQESA-N -1 0 448.515 5.885 1 0 IKAFRM CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000012358587 562981771 /nfs/dbraw/zinc/98/17/71/562981771.db2.gz GYUDZHCBKASPDK-QFIPXVFZSA-N -1 0 436.470 6.408 1 0 IKAFRM COc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c3c(c2CCC(=O)[O-])CCCC3)cc1 ZINC000012404518 562981872 /nfs/dbraw/zinc/98/18/72/562981872.db2.gz IEDHIXOGGAHSLI-JCMHNJIXSA-N -1 0 442.515 5.079 1 0 IKAFRM Cc1c(C)c(Br)c(C)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1O ZINC000013456342 562987688 /nfs/dbraw/zinc/98/76/88/562987688.db2.gz ISGDYOVPYAVNAK-GOSISDBHSA-N -1 0 437.349 6.386 1 0 IKAFRM COc1ccc(C2=C(C(=O)[O-])[C@H](c3ccc(OC)cc3)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473401 562988324 /nfs/dbraw/zinc/98/83/24/562988324.db2.gz KEBCCDBUEWIYNJ-SANMLTNESA-N -1 0 446.499 5.511 1 0 IKAFRM CCCCCOC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473438 562988328 /nfs/dbraw/zinc/98/83/28/562988328.db2.gz FQYGJVMROUFQER-QHCPKHFHSA-N -1 0 440.492 5.339 1 0 IKAFRM COc1ccc(C2=C(C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)Oc3ccc(C(C)C)cc32)cc1 ZINC000013473390 562988329 /nfs/dbraw/zinc/98/83/29/562988329.db2.gz ILKOXQHPEWLJQB-SANMLTNESA-N -1 0 444.483 5.568 1 0 IKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000013474604 562988729 /nfs/dbraw/zinc/98/87/29/562988729.db2.gz CQECYVMYMPYNBF-SFHVURJKSA-N -1 0 445.519 5.398 1 0 IKAFRM O=C([O-])c1ccc(C=C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c(F)c1 ZINC000013475203 562988891 /nfs/dbraw/zinc/98/88/91/562988891.db2.gz DINVFFMPQLSPJW-UHFFFAOYSA-N -1 0 429.491 5.362 1 0 IKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(C(=O)[O-])cc1 ZINC000013488255 562989666 /nfs/dbraw/zinc/98/96/66/562989666.db2.gz VFUIUWFGLWYTFT-UHFFFAOYSA-N -1 0 445.515 6.384 1 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCC(=O)[O-])c(C)c1 ZINC000013489474 562989895 /nfs/dbraw/zinc/98/98/95/562989895.db2.gz RSLROHSQFVXOLQ-UHFFFAOYSA-N -1 0 435.467 6.042 1 0 IKAFRM Cc1cccc(C(=O)Nc2c3ccccc3ccc2C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC000013489810 562989984 /nfs/dbraw/zinc/98/99/84/562989984.db2.gz YDOBSPJHPMWVKS-UHFFFAOYSA-N -1 0 427.344 5.713 1 0 IKAFRM COc1ccc(C(=O)Nc2c3ccccc3ccc2C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000013489818 562990098 /nfs/dbraw/zinc/99/00/98/562990098.db2.gz MMGFUZDMDRFXTM-UHFFFAOYSA-N -1 0 443.343 5.413 1 0 IKAFRM CCCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(C)(C)CC)cc1C(C)(C)CC ZINC000013522276 562991318 /nfs/dbraw/zinc/99/13/18/562991318.db2.gz JDQNUWQDRYZSEY-VKHHFPQQSA-N -1 0 426.641 7.841 1 0 IKAFRM COc1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013534746 562992334 /nfs/dbraw/zinc/99/23/34/562992334.db2.gz SVPDZVRKFOHCKQ-UHFFFAOYSA-N -1 0 439.298 6.220 1 0 IKAFRM [O-]c1ccc(Br)c(Br)c1Oc1cc(Br)ccc1O ZINC000013535708 562992415 /nfs/dbraw/zinc/99/24/15/562992415.db2.gz MQTQEJZMDKSDNZ-UHFFFAOYSA-N -1 0 438.897 5.178 1 0 in-vivo IKAFRM CCOc1c(/C(=C\C=C\C(C)=C\C(=O)[O-])C(F)(F)F)cc(C(C)(C)C)cc1C(C)(C)C ZINC000013539349 562992690 /nfs/dbraw/zinc/99/26/90/562992690.db2.gz IOTZBRPLBMULMD-KLGKYMQISA-N -1 0 438.530 7.213 1 0 IKAFRM O=C([O-])[C@@H]1C[C@@H]1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 ZINC000013554042 562993029 /nfs/dbraw/zinc/99/30/29/562993029.db2.gz DCYHRPUPJCRAGG-DNQXCXABSA-N -1 0 426.537 6.849 1 0 IKAFRM CCCC/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000013558165 562993540 /nfs/dbraw/zinc/99/35/40/562993540.db2.gz ZXCVERXQQVVQAS-RIYZIHGNSA-N -1 0 435.307 5.503 1 0 IKAFRM CCCC/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCc2cc(Cl)cc(Cl)c2)c1 ZINC000013558166 562993557 /nfs/dbraw/zinc/99/35/57/562993557.db2.gz QGJSNQWXCZEZBL-LZYBPNLTSA-N -1 0 449.334 5.289 1 0 IKAFRM CCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(F)(F)C(F)(F)F)cc1C(C)C ZINC000013587542 562995711 /nfs/dbraw/zinc/99/57/11/562995711.db2.gz IXJIVOFEKLAPRC-GNFXPBCZSA-N -1 0 432.429 6.853 1 0 IKAFRM Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(Cc2ccc(Cl)cc2)c1 ZINC000013602447 562996964 /nfs/dbraw/zinc/99/69/64/562996964.db2.gz RMLCYFMXRWOBAA-UHFFFAOYSA-N -1 0 425.868 5.069 1 0 IKAFRM C[C@](Cc1ccc(Cl)cc1)(Oc1ccc([C@H]2CCSc3ccccc32)cc1)C(=O)[O-] ZINC000013604855 562997115 /nfs/dbraw/zinc/99/71/15/562997115.db2.gz CJRBXBXGHGXTQD-PXDATVDWSA-N -1 0 438.976 6.433 1 0 IKAFRM CCc1cccc(C[C@](C)(Oc2ccc([C@@H]3CCSc4ccccc43)cc2)C(=O)[O-])c1 ZINC000013604863 562997129 /nfs/dbraw/zinc/99/71/29/562997129.db2.gz XUHPJPMTCLHFID-HOFKKMOUSA-N -1 0 432.585 6.342 1 0 IKAFRM O=C([O-])c1ccc2c(c1)c(C1CCCCC1)c(-c1ccccc1)n2CC(=O)NCC1CC1 ZINC000013646608 562998759 /nfs/dbraw/zinc/99/87/59/562998759.db2.gz ZIBDJMWJONHVCJ-UHFFFAOYSA-N -1 0 430.548 5.580 1 0 IKAFRM CC[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(C(F)(F)F)cc3Cl)ccc2O1 ZINC000013671839 562999886 /nfs/dbraw/zinc/99/98/86/562999886.db2.gz UBQQRAJQIMDDRW-FQEVSTJZSA-N -1 0 444.833 5.375 1 0 IKAFRM O=C([O-])CCCCOc1ccccc1Cc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013727323 563001443 /nfs/dbraw/zinc/00/14/43/563001443.db2.gz UJHBSIOWFUIMMY-UHFFFAOYSA-N -1 0 427.500 6.233 1 0 IKAFRM O=C([O-])CCCOc1ccccc1CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013727365 563001511 /nfs/dbraw/zinc/00/15/11/563001511.db2.gz HHUXFEXTRASAPL-UHFFFAOYSA-N -1 0 427.500 6.037 1 0 IKAFRM O=C([O-])COc1cccc(CCc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)o2)c1 ZINC000013727427 563001524 /nfs/dbraw/zinc/00/15/24/563001524.db2.gz YEVDWYVFEIKNGY-UHFFFAOYSA-N -1 0 435.426 5.535 1 0 IKAFRM CCCCCc1cccc2c1C[C@H](C(=O)[O-])N(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000013731545 563001780 /nfs/dbraw/zinc/00/17/80/563001780.db2.gz VONYGQCABCNSPK-AREMUKBSSA-N -1 0 441.571 5.589 1 0 IKAFRM CCCCCc1cccc2c1C[C@@H](C(=O)[O-])N(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000013731548 563001845 /nfs/dbraw/zinc/00/18/45/563001845.db2.gz VONYGQCABCNSPK-SANMLTNESA-N -1 0 441.571 5.589 1 0 IKAFRM O=C([O-])CCC/C=C(\c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733171 563002027 /nfs/dbraw/zinc/00/20/27/563002027.db2.gz FZZMVSWCYIOLSW-ZXKDJJQISA-N -1 0 448.950 5.394 1 0 IKAFRM O=C([O-])c1ccc2cc(-c3ccc([C@@H](O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000013745053 563003793 /nfs/dbraw/zinc/00/37/93/563003793.db2.gz XPXYGHABMROCKS-JGXZDVHOSA-N -1 0 442.555 5.699 1 0 IKAFRM CCCCCCNS(=O)(=O)[N-]C(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000013747486 563004212 /nfs/dbraw/zinc/00/42/12/563004212.db2.gz WKQOIHQKAIOSOO-UHFFFAOYSA-N -1 0 426.623 5.093 1 0 IKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013747542 563004259 /nfs/dbraw/zinc/00/42/59/563004259.db2.gz UKESTKZJLRAXBS-UHFFFAOYSA-N -1 0 435.586 5.108 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000013756113 563004370 /nfs/dbraw/zinc/00/43/70/563004370.db2.gz UOMCMQAHRUVBKN-HSZRJFAPSA-N -1 0 443.547 5.274 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000013756123 563004395 /nfs/dbraw/zinc/00/43/95/563004395.db2.gz KTPHQXMERWMSHG-OAQYLSRUSA-N -1 0 447.966 5.919 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(C(=O)[O-])=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000013761799 563005289 /nfs/dbraw/zinc/00/52/89/563005289.db2.gz YNWNNHNPVXWHLN-JRZBRKEGSA-N -1 0 425.613 5.608 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(F)=C(C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000013761801 563005315 /nfs/dbraw/zinc/00/53/15/563005315.db2.gz PFBGHZHXLZVKOT-BKPWSEMGSA-N -1 0 447.635 6.209 1 0 IKAFRM CCCCc1oc2ccccc2c1[C@H](O)c1ccc(-c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000013806795 563008542 /nfs/dbraw/zinc/00/85/42/563008542.db2.gz SQFYUCKEOOHANU-HHHXNRCGSA-N -1 0 430.500 5.988 1 0 IKAFRM O=C([O-])COc1cccc(-c2ocnc2-c2onc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000013834192 563011961 /nfs/dbraw/zinc/01/19/61/563011961.db2.gz VLPYFLGUSYFTDE-UHFFFAOYSA-N -1 0 438.439 5.794 1 0 IKAFRM COc1c(Cl)c(C)c(C(=O)[O-])c(OC)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835880 563012202 /nfs/dbraw/zinc/01/22/02/563012202.db2.gz WBJQMYQMUAOVAI-XISSEUCESA-N -1 0 448.987 6.050 1 0 IKAFRM CCCCc1ccc2c(n1)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)[O-])[C@H]2c1ccc2c(c1)OCO2 ZINC000013859851 563012420 /nfs/dbraw/zinc/01/24/20/563012420.db2.gz AQEWYBHXBBBFNY-CCDWMCETSA-N -1 0 445.515 5.140 1 0 IKAFRM Cc1cc2c(nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)s1 ZINC000013888855 563013760 /nfs/dbraw/zinc/01/37/60/563013760.db2.gz LECKQPLOAUQGOE-RKQNLGICSA-N -1 0 443.540 5.134 1 0 IKAFRM CC(C)=C[C@@H](C(=O)[O-])/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000014691426 563014778 /nfs/dbraw/zinc/01/47/78/563014778.db2.gz XZBFFTFZGNJTEM-AZIDNILZSA-N -1 0 426.597 6.904 1 0 IKAFRM COc1cc(-c2coc3c(CC=C(C)C)c([O-])c(CC=C(C)C)c(O)c3c2=O)ccc1O ZINC000014727605 563014975 /nfs/dbraw/zinc/01/49/75/563014975.db2.gz HTHLDJJBNQWUJJ-UHFFFAOYSA-N -1 0 436.504 5.603 1 0 IKAFRM O=C([O-])c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1 ZINC000014945527 563015344 /nfs/dbraw/zinc/01/53/44/563015344.db2.gz QCJVVHWZCBQTMP-UHFFFAOYSA-N -1 0 426.259 5.314 1 0 IKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000014974402 563016715 /nfs/dbraw/zinc/01/67/15/563016715.db2.gz OIYCWZRYZVULOR-DHIUTWEWSA-N -1 0 446.478 5.820 1 0 IKAFRM CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977034 563017096 /nfs/dbraw/zinc/01/70/96/563017096.db2.gz UJRNVHVWFAPHHZ-KRWDZBQOSA-N -1 0 436.470 6.010 1 0 IKAFRM CCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])cc2)n1 ZINC000014977114 563017100 /nfs/dbraw/zinc/01/71/00/563017100.db2.gz SXGLOSJUBOLIOB-IBGZPJMESA-N -1 0 437.561 5.725 1 0 IKAFRM Cc1cc(C[C@H](C)C(=O)[O-])ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000014978146 563017142 /nfs/dbraw/zinc/01/71/42/563017142.db2.gz LCSZAZVGIKVASD-AWEZNQCLSA-N -1 0 448.441 5.781 1 0 IKAFRM O=C([O-])COc1cccc2c1CCC[C@H]2CCCOC(c1ccccc1)c1ccccc1 ZINC000026018673 563028706 /nfs/dbraw/zinc/02/87/06/563028706.db2.gz DHPQOFXEJNOGOC-NRFANRHFSA-N -1 0 430.544 6.156 1 0 IKAFRM COc1cccc2c1-c1ccc([N-]S(=O)(=O)c3cccs3)cc1[C@H](c1ccccc1)O2 ZINC000026178322 563029530 /nfs/dbraw/zinc/02/95/30/563029530.db2.gz UZBGXUQNTHTGOZ-DEOSSOPVSA-N -1 0 449.553 5.706 1 0 IKAFRM O=C(c1ccccc1)c1ccc(OCc2ccc(C=C3SC(=S)NC3=O)cc2)cc1[O-] ZINC000026274309 563030532 /nfs/dbraw/zinc/03/05/32/563030532.db2.gz MTDSTNVHLGWBKL-MTJSOVHGSA-N -1 0 447.537 5.531 1 0 IKAFRM O=C([O-])C1(c2ccc3c(c2)CC[C@H]([C@H](c2ccccc2)C2CCCCC2)[C@H]3O)CCCC1 ZINC000026393811 563031723 /nfs/dbraw/zinc/03/17/23/563031723.db2.gz CFFLVOXYZXMTHE-PFBJBMPXSA-N -1 0 432.604 6.543 1 0 IKAFRM O=C([O-])C1(c2ccc3c(c2)OC[C@H](C(c2ccccc2)c2ccccc2)[C@H]3O)CCCC1 ZINC000026393819 563031736 /nfs/dbraw/zinc/03/17/36/563031736.db2.gz RQBIFFYBYRQOAF-BVAGGSTKSA-N -1 0 428.528 5.457 1 0 IKAFRM CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1)C(=O)[O-] ZINC000026404305 563031948 /nfs/dbraw/zinc/03/19/48/563031948.db2.gz UNOREIGWESJDHG-NRFANRHFSA-N -1 0 438.524 5.034 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C/CCCC(=O)[O-])[C@H]2NC(=O)c1cc2ccccc2s1 ZINC000026493550 563032539 /nfs/dbraw/zinc/03/25/39/563032539.db2.gz GIHOJCISDSHMKO-XQEBCRAASA-N -1 0 425.594 5.883 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C/CCCC(=O)[O-])[C@H]2NC(=O)c1csc2ccc(O)cc12 ZINC000026494820 563032652 /nfs/dbraw/zinc/03/26/52/563032652.db2.gz ZXBHFWFKSIYJEK-UWUPLFKFSA-N -1 0 441.593 5.589 1 0 IKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(/C=C/C(=O)[O-])cc3OC)c2c1 ZINC000026498729 563032674 /nfs/dbraw/zinc/03/26/74/563032674.db2.gz VEPRUAAGPVUVBJ-SQSZOCELSA-N -1 0 448.563 5.951 1 0 IKAFRM CCCCOc1c(-c2cn(C)c3ccc(/C(C)=C/C(=O)[O-])cc23)cc(C(C)C)cc1C(C)C ZINC000026659220 563034960 /nfs/dbraw/zinc/03/49/60/563034960.db2.gz VVRKVTWLLQOKMZ-DEDYPNTBSA-N -1 0 447.619 7.759 1 0 IKAFRM CCCCOc1c(-c2cccc3[nH]c(/C(C)=C/C(=O)[O-])cc32)cc(C(C)C)cc1C(C)C ZINC000026660867 563034976 /nfs/dbraw/zinc/03/49/76/563034976.db2.gz YJGWWHHHKOOYNJ-CPNJWEJPSA-N -1 0 433.592 7.749 1 0 IKAFRM CCCOc1c(-c2c[nH]c3ccc(/C(C)=C/C(=O)[O-])cc32)cc(C(C)(C)C)cc1C(C)(C)C ZINC000026663021 563035065 /nfs/dbraw/zinc/03/50/65/563035065.db2.gz QWZJLIIDSHMRRC-QGOAFFKASA-N -1 0 447.619 7.707 1 0 IKAFRM CC(=O)Oc1c(C(F)(F)F)c([O-])c2c(=O)cc(-c3ccccc3)oc2c1C(F)(F)F ZINC000027083390 563039051 /nfs/dbraw/zinc/03/90/51/563039051.db2.gz YRSIMXVRMUFKGI-UHFFFAOYSA-N -1 0 432.272 5.129 1 0 IKAFRM CO[C@@H](C(=O)Nc1cccc(/C=C/c2nc(C(C)C)cs2)c1)c1ccccc1C(=O)[O-] ZINC000027420006 563042034 /nfs/dbraw/zinc/04/20/34/563042034.db2.gz INBWDDDCUULLQA-VDZCTEQFSA-N -1 0 436.533 5.461 1 0 IKAFRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(/C=C/c2nc(-c3ccccc3)cs2)c1 ZINC000027424331 563042102 /nfs/dbraw/zinc/04/21/02/563042102.db2.gz RLACLFFYVVDUFL-BUHFOSPRSA-N -1 0 440.524 5.860 1 0 IKAFRM O=C([O-])c1ccc(CC(=O)N[C@@H](c2ccccc2N2CCCCC2)C2CCCCC2)cc1 ZINC000027563917 563044431 /nfs/dbraw/zinc/04/44/31/563044431.db2.gz DTAYQSVAVGWOQJ-AREMUKBSSA-N -1 0 434.580 5.355 1 0 IKAFRM O=C([O-])c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCCCCCC2)cc1 ZINC000027563887 563044434 /nfs/dbraw/zinc/04/44/34/563044434.db2.gz CUJOMSSXCCRGCR-UHFFFAOYSA-N -1 0 442.987 5.561 1 0 IKAFRM CC(C)c1sc(-c2ccccc2)c(C2CCCCC2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027630612 563044835 /nfs/dbraw/zinc/04/48/35/563044835.db2.gz ZTZBCTWWLWASMT-SVKRATOZSA-N -1 0 442.621 6.186 1 0 IKAFRM O=C([O-])c1ccc(C(CC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc(Cl)cc2)cc1 ZINC000027639225 563044994 /nfs/dbraw/zinc/04/49/94/563044994.db2.gz ZIPAKPMOCQRWTG-UHFFFAOYSA-N -1 0 441.310 6.321 1 0 IKAFRM CC(C)=Cc1sc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1 ZINC000027639165 563045002 /nfs/dbraw/zinc/04/50/02/563045002.db2.gz CKBYQGWSLCUVDB-BGGMYYEUSA-N -1 0 432.557 5.701 1 0 IKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(F)cc2F)CC(=O)c2ccc(F)cc2F)c1 ZINC000027645322 563045060 /nfs/dbraw/zinc/04/50/60/563045060.db2.gz YUXIEHKUUDRINV-UHFFFAOYSA-N -1 0 444.380 5.571 1 0 IKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3ccccc3)c(=O)c2C(=O)[O-])cc1 ZINC000027657761 563045440 /nfs/dbraw/zinc/04/54/40/563045440.db2.gz OVOHLYDLNHSOEP-UHFFFAOYSA-N -1 0 425.440 5.170 1 0 IKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3ccccc3C)c(=O)c2C(=O)[O-])cc1 ZINC000027714382 563045731 /nfs/dbraw/zinc/04/57/31/563045731.db2.gz NZTGIPIUZUNBQT-UHFFFAOYSA-N -1 0 439.467 5.478 1 0 IKAFRM COc1ccc2c(c1)c(CC[C@H](C)C(=O)[O-])c(C)n2Cc1ccc(Br)cc1 ZINC000027849909 563047307 /nfs/dbraw/zinc/04/73/07/563047307.db2.gz SHQVLLYZMUMEPR-AWEZNQCLSA-N -1 0 430.342 5.422 1 0 IKAFRM CCCc1c(O)c(C(C)=O)ccc1OCc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000027886388 563047946 /nfs/dbraw/zinc/04/79/46/563047946.db2.gz LVEFGWOODGSMBV-UHFFFAOYSA-N -1 0 447.487 5.077 1 0 IKAFRM CCCc1c(O)c(-c2ccc3ccccc3n2)ccc1OCc1ccc(C(=O)[O-])cc1OC ZINC000027889576 563047965 /nfs/dbraw/zinc/04/79/65/563047965.db2.gz QFVCFZBDOJJMCA-UHFFFAOYSA-N -1 0 443.499 5.846 1 0 IKAFRM COc1cc(C(=O)[O-])ccc1COc1ccc(C(C)=O)c(O)c1C/C=C/c1ccccc1 ZINC000027894828 563048164 /nfs/dbraw/zinc/04/81/64/563048164.db2.gz RNTZBTAZZGPUHM-RMKNXTFCSA-N -1 0 432.472 5.137 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C=C(C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028019201 563050036 /nfs/dbraw/zinc/05/00/36/563050036.db2.gz VCZWBSGVTXKGII-HGGXSKBVSA-N -1 0 427.629 5.688 1 0 IKAFRM CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)NCC(=O)[O-])c(Cl)c1Cl ZINC000028020776 563050057 /nfs/dbraw/zinc/05/00/57/563050057.db2.gz BODOXPRBLCFXNR-HUUCEWRRSA-N -1 0 438.376 5.572 1 0 IKAFRM CC1=C2C=C(C(=O)[O-])CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H](C(=O)N(C(C)C)C(C)C)CC[C@H]3[C@H]2C1 ZINC000028085659 563050197 /nfs/dbraw/zinc/05/01/97/563050197.db2.gz QSMQHWFDJPPRLO-YDYVRPLESA-N -1 0 441.656 6.222 1 0 IKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cc(F)c(F)cc3n2)c1)C(=O)[O-] ZINC000028098296 563050528 /nfs/dbraw/zinc/05/05/28/563050528.db2.gz DGUXLXDTCHULNE-UHFFFAOYSA-N -1 0 442.462 5.312 1 0 IKAFRM O=C([O-])C1(CC(=O)Nc2cccc(OCc3ccc4ccc(F)cc4n3)c2)CCCCC1 ZINC000028104520 563050724 /nfs/dbraw/zinc/05/07/24/563050724.db2.gz PQBWZIFOPYSMTQ-UHFFFAOYSA-N -1 0 436.483 5.317 1 0 IKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(Oc3ccccc3)cc2)C2CCSCC2)s1 ZINC000028134554 563051509 /nfs/dbraw/zinc/05/15/09/563051509.db2.gz AXRKNGLAVUGBBH-UHFFFAOYSA-N -1 0 440.546 5.176 1 0 IKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(OCc3cccs3)cc2)C2CCCCC2)s1 ZINC000028351369 563053206 /nfs/dbraw/zinc/05/32/06/563053206.db2.gz OBXHZZGQCJDWCP-UHFFFAOYSA-N -1 0 442.562 5.461 1 0 IKAFRM CC(C)c1cc(-c2ccccc2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000028361164 563053454 /nfs/dbraw/zinc/05/34/54/563053454.db2.gz ABKGZOKXPPRHET-ITWZMISCSA-N -1 0 437.511 5.142 1 0 IKAFRM O=C([O-])CNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc32)c(Cl)c1 ZINC000028523084 563056208 /nfs/dbraw/zinc/05/62/08/563056208.db2.gz SWLMBQBHXJFLIR-UHFFFAOYSA-N -1 0 441.108 5.778 1 0 IKAFRM O=C([O-])COc1cccc2c1CC[C@H](COC(=O)N(c1ccccc1)c1ccccc1)C2 ZINC000028524863 563056612 /nfs/dbraw/zinc/05/66/12/563056612.db2.gz CDAMGZXJUYMJLP-IBGZPJMESA-N -1 0 431.488 5.230 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc5c(c4)OCC5)oc3C)ccc21 ZINC000028563591 563057675 /nfs/dbraw/zinc/05/76/75/563057675.db2.gz LKYMFRWHOPVHEU-GGAORHGYSA-N -1 0 447.531 5.347 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(Cl)cc21 ZINC000028563605 563057709 /nfs/dbraw/zinc/05/77/09/563057709.db2.gz HTJDIOVINXLWIY-RBUKOAKNSA-N -1 0 439.939 6.066 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C(C)C)ccc21 ZINC000028563318 563057742 /nfs/dbraw/zinc/05/77/42/563057742.db2.gz NKDBDGNBJJKZEW-FYYLOGMGSA-N -1 0 433.548 6.227 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)ccc21 ZINC000028565563 563058034 /nfs/dbraw/zinc/05/80/34/563058034.db2.gz SRMBBYQQDWHGEA-IFMALSPDSA-N -1 0 439.939 6.066 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)ccc21 ZINC000028565561 563058035 /nfs/dbraw/zinc/05/80/35/563058035.db2.gz SRMBBYQQDWHGEA-RBBKRZOGSA-N -1 0 439.939 6.066 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(OC)cc4)oc3C)ccc21 ZINC000028565720 563058118 /nfs/dbraw/zinc/05/81/18/563058118.db2.gz QRAPSYCJHNENAL-GGAORHGYSA-N -1 0 435.520 5.421 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(C)c(F)c4)oc3C)ccc21 ZINC000028565771 563058124 /nfs/dbraw/zinc/05/81/24/563058124.db2.gz IUXVOQBUCYELQI-IFMALSPDSA-N -1 0 437.511 5.860 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(C(C)C)cc4)oc3C)ccc21 ZINC000028565818 563058142 /nfs/dbraw/zinc/05/81/42/563058142.db2.gz HUIXGYZXJULARC-ILBGXUMGSA-N -1 0 447.575 6.536 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(C)c(F)c4)oc3C)ccc21 ZINC000028565769 563058144 /nfs/dbraw/zinc/05/81/44/563058144.db2.gz IUXVOQBUCYELQI-RBBKRZOGSA-N -1 0 437.511 5.860 1 0 IKAFRM CCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@@H]4[C@@H](CC)C(=O)[O-])c(C)o2)cc1 ZINC000028565793 563058148 /nfs/dbraw/zinc/05/81/48/563058148.db2.gz HUYAIOIUSQXLBC-ISKFKSNPSA-N -1 0 433.548 5.975 1 0 IKAFRM O=C1OC(=Cc2cc(C(F)(F)F)ccc2F)C([O-])=C1c1ccc(-c2ccccc2)c(F)c1 ZINC000028565855 563058209 /nfs/dbraw/zinc/05/82/09/563058209.db2.gz GBMVMJJCKHWZES-NDENLUEZSA-N -1 0 444.355 6.518 1 0 IKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(Cl)c2)C1C(=O)OC/C=C/c1ccc(C)cc1 ZINC000028568435 563058565 /nfs/dbraw/zinc/05/85/65/563058565.db2.gz ULHXGRDRDRBFHQ-UUMIMUCMSA-N -1 0 437.923 6.065 1 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000028571991 563059474 /nfs/dbraw/zinc/05/94/74/563059474.db2.gz AEGXQTLIMRGLHO-CYBMUJFWSA-N -1 0 434.483 6.013 1 0 IKAFRM CC(C)C[C@H](C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(=O)NCC(C)(C)C ZINC000028761038 563063801 /nfs/dbraw/zinc/06/38/01/563063801.db2.gz CNYHJEUOGUPPHL-XMMPIXPASA-N -1 0 443.568 5.872 1 0 IKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c([O-])c2ccccc2oc1=O ZINC000028818600 563064979 /nfs/dbraw/zinc/06/49/79/563064979.db2.gz WQECIGPINOTDGQ-HWIYRCFISA-N -1 0 434.620 8.187 1 0 IKAFRM O=C([O-])Cc1csc2cc(OCc3cc(-c4ccc(Cl)cc4)on3)cc(Cl)c12 ZINC000028822708 563065717 /nfs/dbraw/zinc/06/57/17/563065717.db2.gz YKBNKZOCKAZLRU-UHFFFAOYSA-N -1 0 434.300 6.069 1 0 IKAFRM Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)on2)cc2scc(CC(=O)[O-])c21 ZINC000028822709 563065738 /nfs/dbraw/zinc/06/57/38/563065738.db2.gz ONHPYXIGAYSAKE-UHFFFAOYSA-N -1 0 447.434 6.090 1 0 IKAFRM O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3cccc(OCc4ccccc4)c3)C2=O)cc1 ZINC000028825576 563066203 /nfs/dbraw/zinc/06/62/03/563066203.db2.gz FXYLPIOJECCPIZ-HMAPJEAMSA-N -1 0 445.496 5.200 1 0 IKAFRM CC[C@H](C)[C@H](NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br)C(=O)[O-] ZINC000028878870 563067751 /nfs/dbraw/zinc/06/77/51/563067751.db2.gz YVFYDGHPLPBZMD-GYJTVFMYSA-N -1 0 428.411 5.600 1 0 IKAFRM Cc1cc([C@@H]2C[C@H]2C(=O)[O-])ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000028892643 563068507 /nfs/dbraw/zinc/06/85/07/563068507.db2.gz VNRPRIAXZVNSEY-DLBZAZTESA-N -1 0 446.425 5.706 1 0 IKAFRM CC(C)c1cc(Oc2c(C(C)C)cc(C[C@@H]3SC(=O)[N-]C3=O)cc2C(C)C)ccc1O ZINC000028948216 563069162 /nfs/dbraw/zinc/06/91/62/563069162.db2.gz MAVVKYQSGOSEET-QFIPXVFZSA-N -1 0 441.593 6.449 1 0 IKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC(C)C)cc(OC(C)C)c2)cc1)C(=O)[O-] ZINC000028948396 563069172 /nfs/dbraw/zinc/06/91/72/563069172.db2.gz LFCUSKJHPWXZGL-NJFIGMEYSA-N -1 0 442.552 5.385 1 0 IKAFRM O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000028948716 563069309 /nfs/dbraw/zinc/06/93/09/563069309.db2.gz JQBCUHZQZMCGDR-UHFFFAOYSA-N -1 0 445.518 7.146 1 0 IKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3ccccc3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962605 563070778 /nfs/dbraw/zinc/07/07/78/563070778.db2.gz PLPUMISDCFSREE-HSZRJFAPSA-N -1 0 432.907 5.612 1 0 IKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3ccccc3OC)cc2-c2ccc(C)cc2)cc1 ZINC000028962634 563070813 /nfs/dbraw/zinc/07/08/13/563070813.db2.gz XUNSFHJCSYRYBZ-XMMPIXPASA-N -1 0 442.515 5.276 1 0 IKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3ccc(C)cc3)cc2-c2ccc(C)cc2)cc1 ZINC000028962713 563070937 /nfs/dbraw/zinc/07/09/37/563070937.db2.gz ZAONITGOCFCVSG-RUZDIDTESA-N -1 0 426.516 5.576 1 0 IKAFRM CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccc(C(=O)[O-])cc3)c2)c1)S(C)(=O)=O ZINC000029037770 563071567 /nfs/dbraw/zinc/07/15/67/563071567.db2.gz HEUMSBHZHPFERJ-UHFFFAOYSA-N -1 0 445.540 5.547 1 0 IKAFRM CC(C)[C@H](O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000029054233 563073275 /nfs/dbraw/zinc/07/32/75/563073275.db2.gz HNYWTBDLRJSCMP-DMZKTXOQSA-N -1 0 447.959 6.236 1 0 IKAFRM C[C@@H](Oc1ccc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)cc1)C(=O)[O-] ZINC000029059179 563073611 /nfs/dbraw/zinc/07/36/11/563073611.db2.gz BVPASOJHNPNCCC-LLVKDONJSA-N -1 0 440.468 5.368 1 0 IKAFRM O=c1c([O-])cc2c(-c3ccccc3Cl)cc(O)cc2n1-c1c(Cl)cccc1Cl ZINC000029125620 563074384 /nfs/dbraw/zinc/07/43/84/563074384.db2.gz CYDIQHVOAJKMJO-UHFFFAOYSA-N -1 0 432.690 6.029 1 0 IKAFRM COc1cc(-c2ccccc2Cl)c2cc([O-])c(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125659 563074466 /nfs/dbraw/zinc/07/44/66/563074466.db2.gz WJNSPQTZVLYFTR-UHFFFAOYSA-N -1 0 446.717 6.332 1 0 IKAFRM CCCc1c(OCCCSc2ccc([C@@H](O)CCC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000029343708 563078630 /nfs/dbraw/zinc/07/86/30/563078630.db2.gz LGDHGTZZLKRIKO-NRFANRHFSA-N -1 0 446.565 5.007 1 0 IKAFRM Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000029400106 563079226 /nfs/dbraw/zinc/07/92/26/563079226.db2.gz HIMNFDXDCZYWQT-UHFFFAOYSA-N -1 0 445.393 5.510 1 0 IKAFRM CCc1ccc(OC)c2cc(-c3ccc(-c4ccc(C(=O)[O-])cc4Br)[nH]3)oc21 ZINC000029467763 563080350 /nfs/dbraw/zinc/08/03/50/563080350.db2.gz LZCWGTMLOQFLOE-UHFFFAOYSA-N -1 0 440.293 6.127 1 0 IKAFRM CCn1cc(Cc2ccc(C(=O)[O-])cc2OC)c2cc(NC(=O)CC3CCCC3)ccc21 ZINC000029475395 563080804 /nfs/dbraw/zinc/08/08/04/563080804.db2.gz FBWUGXPSCDEGEI-UHFFFAOYSA-N -1 0 434.536 5.478 1 0 IKAFRM O=C([O-])c1c(-c2ccc3c(c2)OC[C@H](Cc2ccccc2)[C@H]3O)cccc1C(F)(F)F ZINC000029474879 563080810 /nfs/dbraw/zinc/08/08/10/563080810.db2.gz ZGQDZWONQBSMSH-KSFYIVLOSA-N -1 0 428.406 5.355 1 0 IKAFRM CC[C@H](C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OC)c2c1)c1ccccc1 ZINC000029476458 563080946 /nfs/dbraw/zinc/08/09/46/563080946.db2.gz RELQNBCHDGHZTK-QHCPKHFHSA-N -1 0 442.515 5.529 1 0 IKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)[C@H](C)c3ccccc3)cc21 ZINC000029482305 563081265 /nfs/dbraw/zinc/08/12/65/563081265.db2.gz ATXBVCQQRLOHPD-QGZVFWFLSA-N -1 0 428.488 5.139 1 0 IKAFRM CC(C)C1=C2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC1 ZINC000029551460 563081930 /nfs/dbraw/zinc/08/19/30/563081930.db2.gz SCWUSJKROXGXMP-BFRAKPBMSA-N -1 0 438.696 8.183 1 0 IKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000029569241 563082957 /nfs/dbraw/zinc/08/29/57/563082957.db2.gz KQFROUCLXDASFA-XGBPZCLSSA-N -1 0 447.619 6.330 1 0 IKAFRM C[C@H]1CCCC[C@@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(C(=O)[O-])s1 ZINC000033816212 563084666 /nfs/dbraw/zinc/08/46/66/563084666.db2.gz MHGPLJNXYIRDLS-JXFKEZNVSA-N -1 0 436.533 5.859 1 0 IKAFRM O=C([O-])Cc1csc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 ZINC000034046935 563085310 /nfs/dbraw/zinc/08/53/10/563085310.db2.gz HBAZTQMNTUKXSB-CQSZACIVSA-N -1 0 427.353 5.380 1 0 IKAFRM CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(CC)cc3)oc2C)c1)C(=O)[O-] ZINC000034207494 563085850 /nfs/dbraw/zinc/08/58/50/563085850.db2.gz RTXIDZKNOYTSIW-XMMPIXPASA-N -1 0 432.520 5.248 1 0 IKAFRM Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000034297504 563086001 /nfs/dbraw/zinc/08/60/01/563086001.db2.gz OSSJMBVEKCHVPM-VWLOTQADSA-N -1 0 425.528 6.236 1 0 IKAFRM O=C([O-])c1cccc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)c1 ZINC000034352742 563086194 /nfs/dbraw/zinc/08/61/94/563086194.db2.gz GLUDVMFRXKAGHO-UHFFFAOYSA-N -1 0 436.361 5.321 1 0 IKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000035827604 563090056 /nfs/dbraw/zinc/09/00/56/563090056.db2.gz QNEMKHXNYQDLAU-UHFFFAOYSA-N -1 0 439.458 6.035 1 0 IKAFRM Cc1cc(CCC(=O)[O-])ccc1-c1noc(-c2ccc(OC(C)C)c(Br)c2)n1 ZINC000035849850 563090152 /nfs/dbraw/zinc/09/01/52/563090152.db2.gz DXNNAWYNODHJCC-UHFFFAOYSA-N -1 0 445.313 5.279 1 0 IKAFRM CCC[C@@H](C(=O)[O-])c1cc(OCc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000035943730 563090416 /nfs/dbraw/zinc/09/04/16/563090416.db2.gz WTRVTSPOJCYIPS-HSZRJFAPSA-N -1 0 428.450 6.920 1 0 IKAFRM O=C([O-])Cc1sc([C@@H](c2ccccc2)c2ccc(F)c(F)c2)nc1-c1ccc(F)cc1 ZINC000035952024 563090555 /nfs/dbraw/zinc/09/05/55/563090555.db2.gz XCFLGUSGJLLMBZ-QFIPXVFZSA-N -1 0 439.458 6.035 1 0 IKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](C(=O)NCCc1ccccc1)[P@@](=O)([O-])O ZINC000036107927 563091110 /nfs/dbraw/zinc/09/11/10/563091110.db2.gz OIBLGXDNNMPQDG-QGCSVKJNSA-N -1 0 447.556 5.701 1 0 IKAFRM CC[S@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@H](CC(=O)[O-])CCC3 ZINC000036190370 563091993 /nfs/dbraw/zinc/09/19/93/563091993.db2.gz NYLVSUCBUNGUPZ-GUNSETOZSA-N -1 0 429.969 5.365 1 0 IKAFRM Cc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c3cccnc3)O2)cc1 ZINC000036242587 563092315 /nfs/dbraw/zinc/09/23/15/563092315.db2.gz MUBWANKZYHXEGR-WYYBUPSWSA-N -1 0 425.525 5.089 1 0 IKAFRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1C(F)(F)F ZINC000040379908 563099634 /nfs/dbraw/zinc/09/96/34/563099634.db2.gz OTBDDIQUECRVOP-UHFFFAOYSA-N -1 0 439.025 5.188 1 0 IKAFRM Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(OCc2ccccc2)cc1 ZINC000036350476 563093301 /nfs/dbraw/zinc/09/33/01/563093301.db2.gz 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SMQGVBMMLONICI-UHFFFAOYSA-N -1 0 425.488 5.690 1 0 IKAFRM O=C([O-])[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000040391456 563099832 /nfs/dbraw/zinc/09/98/32/563099832.db2.gz RTDGCOHQJQNBPZ-FQEVSTJZSA-N -1 0 448.320 5.167 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(C(=O)[O-])=CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040525839 563104400 /nfs/dbraw/zinc/10/44/00/563104400.db2.gz NCWQYNLGWWNVRY-PIKPVMJISA-N -1 0 427.629 5.832 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(CC(=O)[O-])=CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040676337 563105800 /nfs/dbraw/zinc/10/58/00/563105800.db2.gz OITZRVNFLKKVDS-MMQFYJDDSA-N -1 0 443.672 6.302 1 0 IKAFRM CC(C)C(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c(ccc3c2CCCC3)c1C(=O)[O-] ZINC000040810696 563106883 /nfs/dbraw/zinc/10/68/83/563106883.db2.gz SCRJBRCPXHQKCQ-UHFFFAOYSA-N -1 0 437.923 5.617 1 0 IKAFRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1c(Cl)cccc1Cl ZINC000040827861 563106999 /nfs/dbraw/zinc/10/69/99/563106999.db2.gz MNOQMJMWHLEVNW-UHFFFAOYSA-N -1 0 439.918 5.476 1 0 IKAFRM O=C([O-])CCCc1ccc(OCCN(c2ccc3ccccc3c2)c2ccccn2)cc1 ZINC000040848045 563107690 /nfs/dbraw/zinc/10/76/90/563107690.db2.gz MYZRMXWIZWZFIH-UHFFFAOYSA-N -1 0 426.516 5.859 1 0 IKAFRM Cc1cccc(Cl)c1NC(=O)Nc1ccccc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040861564 563108074 /nfs/dbraw/zinc/10/80/74/563108074.db2.gz NLAGXJFULIZSCV-FQEVSTJZSA-N -1 0 443.931 5.056 1 0 IKAFRM Cc1ccc(-c2cccc(C(=O)[O-])c2)c(-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000040864073 563108549 /nfs/dbraw/zinc/10/85/49/563108549.db2.gz SDKMWVFIDJWXLE-UHFFFAOYSA-N -1 0 428.915 7.260 1 0 IKAFRM COC(=O)[C@@H](c1ccccc1)[C@H](C1=C([O-])C(=Cc2ccccc2)OC1=O)c1ccccc1 ZINC000040873963 563109269 /nfs/dbraw/zinc/10/92/69/563109269.db2.gz DFRUUMWSIQRNGP-QQJXCHMESA-N -1 0 426.468 5.137 1 0 IKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000040919226 563112124 /nfs/dbraw/zinc/11/21/24/563112124.db2.gz RAWZOYGRPWETBF-QFIPXVFZSA-N -1 0 447.535 5.248 1 0 IKAFRM CCO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)[O-] ZINC000040943373 563113643 /nfs/dbraw/zinc/11/36/43/563113643.db2.gz ONHGGZJYRMVQKP-RUZDIDTESA-N -1 0 445.515 5.457 1 0 IKAFRM CCCCc1ccc(-c2ccc3c([nH]c4c3C(C)(C)c3cc(C(=O)[O-])ccc3-4)c2F)cc1 ZINC000040973116 563114902 /nfs/dbraw/zinc/11/49/02/563114902.db2.gz BKGSAVDMZHRMEN-UHFFFAOYSA-N -1 0 427.519 7.321 1 0 IKAFRM Cc1c2ccccc2sc1S(=O)(=O)[N-]c1sccc1-c1nc2ccccc2s1 ZINC000043012471 563116541 /nfs/dbraw/zinc/11/65/41/563116541.db2.gz QJQHADKGIWVELS-UHFFFAOYSA-N -1 0 442.612 6.349 1 0 IKAFRM COc1ccc(CCn2c3ccc(C(=O)[O-])cc3nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000043012837 563116555 /nfs/dbraw/zinc/11/65/55/563116555.db2.gz NXYQCIIEZXNDFJ-UHFFFAOYSA-N -1 0 428.532 5.950 1 0 IKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccccc1C(F)(F)F ZINC000043014999 563116731 /nfs/dbraw/zinc/11/67/31/563116731.db2.gz ZYDCMIQFEQOUBN-UHFFFAOYSA-N -1 0 440.493 5.844 1 0 IKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(-n2cccn2)cc1 ZINC000043024535 563117368 /nfs/dbraw/zinc/11/73/68/563117368.db2.gz RVRZIXNCJPKFJF-UHFFFAOYSA-N -1 0 438.559 5.011 1 0 IKAFRM CCCC[C@H](Sc1ccc(OCCCOc2cccc3c2CCCC3)cc1)C(=O)[O-] ZINC000043060912 563117615 /nfs/dbraw/zinc/11/76/15/563117615.db2.gz LUTLDXKHISCIJB-DEOSSOPVSA-N -1 0 428.594 6.149 1 0 IKAFRM Cc1csc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1-c1nc2ccccc2s1 ZINC000043120468 563118856 /nfs/dbraw/zinc/11/88/56/563118856.db2.gz CGXSGJKIVRQUOE-UHFFFAOYSA-N -1 0 436.583 6.287 1 0 IKAFRM CCC[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccccc1 ZINC000045338983 563131841 /nfs/dbraw/zinc/13/18/41/563131841.db2.gz BWFKJMIVJDOCKH-RUZDIDTESA-N -1 0 431.532 5.554 1 0 IKAFRM COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000045356465 563132594 /nfs/dbraw/zinc/13/25/94/563132594.db2.gz MKJRZZNBXZNNDQ-QZTJIDSGSA-N -1 0 437.517 5.184 1 0 IKAFRM COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000045356458 563132611 /nfs/dbraw/zinc/13/26/11/563132611.db2.gz MKJRZZNBXZNNDQ-MSOLQXFVSA-N -1 0 437.517 5.184 1 0 IKAFRM O=C([O-])Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccnc(F)c1 ZINC000045372531 563133441 /nfs/dbraw/zinc/13/34/41/563133441.db2.gz KUCCLNUULUDKNX-UHFFFAOYSA-N -1 0 440.446 5.430 1 0 IKAFRM O=C([O-])Cc1sc([C@@H](c2ccccc2)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 ZINC000045371390 563133442 /nfs/dbraw/zinc/13/34/42/563133442.db2.gz RAJBDMPVCAZUIO-QFIPXVFZSA-N -1 0 437.923 6.410 1 0 IKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccccc1 ZINC000045372269 563133454 /nfs/dbraw/zinc/13/34/54/563133454.db2.gz HSHFSMZZWDOMPK-SANMLTNESA-N -1 0 445.559 5.800 1 0 IKAFRM O=C([O-])CCc1ccc(COc2ccccc2)cc1C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000045375098 563133613 /nfs/dbraw/zinc/13/36/13/563133613.db2.gz NQTJTVQCLHETBE-AREMUKBSSA-N -1 0 443.543 5.554 1 0 IKAFRM O=C([O-])c1ccc2c(c1)n(CC(=O)N1CCCCC1)c(-c1ccoc1)c2C1CCCCC1 ZINC000045390820 563134015 /nfs/dbraw/zinc/13/40/15/563134015.db2.gz MSDNJYTWRCQWBC-UHFFFAOYSA-N -1 0 434.536 5.660 1 0 IKAFRM O=C1[N-]C(=O)[C@H](c2ccccc2-c2ccc(CC[C@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113219 563138592 /nfs/dbraw/zinc/13/85/92/563138592.db2.gz ZIJRQHVPSNVIQR-ZEQRLZLVSA-N -1 0 445.588 5.742 1 0 IKAFRM CCOC(=O)c1ccc(N2N=C(c3ccc(C(=O)[O-])cc3)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000058540781 563144222 /nfs/dbraw/zinc/14/42/22/563144222.db2.gz WJMVKHRLFFCIHD-HSZRJFAPSA-N -1 0 432.451 5.056 1 0 IKAFRM CCCc1nc2cc(Br)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000058574992 563144756 /nfs/dbraw/zinc/14/47/56/563144756.db2.gz QTTGIDDWMFMEJJ-UHFFFAOYSA-N -1 0 449.348 6.165 1 0 IKAFRM CCCCC[C@@H]1C=C(C(=O)[O-])[C@H](c2cccc(C)c2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947019 563151238 /nfs/dbraw/zinc/15/12/38/563151238.db2.gz WCSNFHLCAAISSD-OFNKIYASSA-N -1 0 427.566 5.009 3 0 IKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947013 563151242 /nfs/dbraw/zinc/15/12/42/563151242.db2.gz RLBQBCKFDCPJQQ-ZCYQVOJMSA-N -1 0 447.556 5.191 3 0 IKAFRM Cc1ccc(S(=O)(=O)N2[C@H](CC3CCCC3)C=C(C(=O)[O-])[C@@H]2c2cccc(C)c2)cc1 ZINC000061947018 563151286 /nfs/dbraw/zinc/15/12/86/563151286.db2.gz DDQQUKOXMVJPDZ-QPPBQGQZSA-N -1 0 439.577 5.009 3 0 IKAFRM O=c1cc(-c2ccccc2)[n-]n1[C@@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274656 563152550 /nfs/dbraw/zinc/15/25/50/563152550.db2.gz FMSXPQBTIIAFPL-HZPDHXFCSA-N -1 0 427.348 5.130 1 0 IKAFRM CN(Cc1ccc2occc2c1)c1nc(=O)[n-]c(Nc2c(F)cccc2-c2ccccc2)n1 ZINC000064527186 563154478 /nfs/dbraw/zinc/15/44/78/563154478.db2.gz MORWDLWHAAPLCE-UHFFFAOYSA-N -1 0 441.466 5.097 1 0 IKAFRM Cc1nn(-c2ccccc2C)c(Nc2ccc(C)cc2C(=O)[O-])c1-c1ccc2nccnc2c1 ZINC000064528145 563154784 /nfs/dbraw/zinc/15/47/84/563154784.db2.gz LHWLONNBSVYLSB-UHFFFAOYSA-N -1 0 449.514 5.850 1 0 IKAFRM [O-]c1c(Br)cc(/C=C/c2ccc(Br)cc2)cc1Br ZINC000066075352 563157412 /nfs/dbraw/zinc/15/74/12/563157412.db2.gz AAJQBLLHTZAYQX-OWOJBTEDSA-N -1 0 432.937 5.850 1 0 IKAFRM O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)c(F)s1)c1ccccc1 ZINC000066251799 563159937 /nfs/dbraw/zinc/15/99/37/563159937.db2.gz HQJSUGYBAHKYEJ-OAQYLSRUSA-N -1 0 446.503 5.562 1 0 IKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3)c(F)c2)cc1 ZINC000071316217 563161955 /nfs/dbraw/zinc/16/19/55/563161955.db2.gz GJMNSZPUMOFCCG-NHCUHLMSSA-N -1 0 446.478 5.820 1 0 IKAFRM O=C([O-])CSc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 ZINC000072112204 563163427 /nfs/dbraw/zinc/16/34/27/563163427.db2.gz GPBMTYYMEWZXNZ-UHFFFAOYSA-N -1 0 428.981 6.357 1 0 IKAFRM CCCC[C@@H](Oc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)[O-] ZINC000072113303 563163560 /nfs/dbraw/zinc/16/35/60/563163560.db2.gz MAZHKGUMMPHZIT-HHHXNRCGSA-N -1 0 448.559 5.952 1 0 IKAFRM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1ccc(C)cc1)c1c(O)ccc2ccccc21 ZINC000072118343 563163715 /nfs/dbraw/zinc/16/37/15/563163715.db2.gz QBCJXCARNLEBSE-AREMUKBSSA-N -1 0 438.502 5.961 1 0 IKAFRM O=C([N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000072141496 563164756 /nfs/dbraw/zinc/16/47/56/563164756.db2.gz SKZDXGMLXRGGKY-UHFFFAOYSA-N -1 0 447.487 5.404 1 0 IKAFRM Cc1[nH]c(C(=O)[O-])c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000072178609 563166278 /nfs/dbraw/zinc/16/62/78/563166278.db2.gz BYTCBEJGORFCMV-UHFFFAOYSA-N -1 0 439.773 5.393 1 0 IKAFRM O=C([O-])c1c(-c2ccccc2F)c2cc(Cl)ccc2n1Cc1ccc2ccccc2c1 ZINC000072183178 563167569 /nfs/dbraw/zinc/16/75/69/563167569.db2.gz LKJMQZBYFNVFLC-UHFFFAOYSA-N -1 0 429.878 7.001 1 0 IKAFRM O=S(=O)([N-]c1ccc(Oc2cncc(Cl)c2)cc1)c1ccc(Cl)cc1Cl ZINC000095586920 563189378 /nfs/dbraw/zinc/18/93/78/563189378.db2.gz NDJHCHIRFDMKCN-UHFFFAOYSA-N -1 0 429.712 5.635 1 0 IKAFRM [O-]c1c(Br)cc([C@H](O)c2nccc3c4ccccc4[nH]c32)cc1Br ZINC000084652205 563174890 /nfs/dbraw/zinc/17/48/90/563174890.db2.gz FYVBQTRGGYNHNP-KRWDZBQOSA-N -1 0 448.114 5.028 1 0 IKAFRM CO[C@H]1Sc2c(-c3cccs3)c(Cc3cccc4ccccc43)cc(=O)n2[C@@H]1C(=O)[O-] ZINC000084652103 563174935 /nfs/dbraw/zinc/17/49/35/563174935.db2.gz OAACNBSRXPLVMO-QPPBQGQZSA-N -1 0 449.553 5.025 1 0 IKAFRM COc1cccc([C@@H]2O[C@@H](CC(=O)[O-])c3ccc(Cl)n3-c3ccc(Cl)cc32)c1OC ZINC000084709753 563177217 /nfs/dbraw/zinc/17/72/17/563177217.db2.gz MLWVPFDQSBAUMK-RXVVDRJESA-N -1 0 448.302 5.437 1 0 IKAFRM Cc1ccc(-c2oc3ccc(OCc4cccc(-c5ccccc5)c4)cc3c2C(=O)[O-])cc1 ZINC000084740223 563179006 /nfs/dbraw/zinc/17/90/06/563179006.db2.gz SUEHUIBEJCDAEK-UHFFFAOYSA-N -1 0 434.491 7.352 1 0 IKAFRM O=C([O-])c1c2cc(OCc3ccc(F)c(F)c3)ccc2oc1-c1ccc2ccccc2c1 ZINC000084758502 563179641 /nfs/dbraw/zinc/17/96/41/563179641.db2.gz KMGZSFLIMAMEKW-UHFFFAOYSA-N -1 0 430.406 6.808 1 0 IKAFRM Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)[O-])cc2)c1 ZINC000084759154 563179724 /nfs/dbraw/zinc/17/97/24/563179724.db2.gz IHBBHILGMLKXMF-UHFFFAOYSA-N -1 0 430.544 6.355 1 0 IKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2ccco2)cc1 ZINC000084759203 563179762 /nfs/dbraw/zinc/17/97/62/563179762.db2.gz DXEVMNWXYVTDPB-UHFFFAOYSA-N -1 0 449.547 6.021 1 0 IKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(C(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000095557772 563181683 /nfs/dbraw/zinc/18/16/83/563181683.db2.gz GRCMUICZCIQWOM-LBPRGKRZSA-N -1 0 427.287 6.370 1 0 IKAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nnsc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000095559926 563182065 /nfs/dbraw/zinc/18/20/65/563182065.db2.gz KNGZLVHEIUIMFK-GBDGOIJOSA-N -1 0 442.669 6.268 1 0 IKAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5nccnc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000095560692 563182240 /nfs/dbraw/zinc/18/22/40/563182240.db2.gz OOFYSPZYUJOYQA-XPURWXCWSA-N -1 0 436.640 6.206 1 0 IKAFRM Cc1ccccc1S(=O)(=O)[N-]c1cnc(Oc2cnc3ccccc3c2)c(Cl)c1 ZINC000095574225 563185230 /nfs/dbraw/zinc/18/52/30/563185230.db2.gz MLZHAWDEVKHWTQ-UHFFFAOYSA-N -1 0 425.897 5.185 1 0 IKAFRM Cc1ccc(C(=O)[O-])cc1-c1cccc(COc2ccc3c(c2)CN(C2CCCC2)C3=O)c1 ZINC000095575200 563185639 /nfs/dbraw/zinc/18/56/39/563185639.db2.gz WXJPZVBSFWJYDQ-UHFFFAOYSA-N -1 0 441.527 5.838 1 0 IKAFRM COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3[O-])[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000095575620 563185736 /nfs/dbraw/zinc/18/57/36/563185736.db2.gz AUUPEWSGRRNKDN-JOCHJYFZSA-N -1 0 436.895 5.054 1 0 IKAFRM Cc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)[N-]c3nccs3)c(F)c2)cs1 ZINC000095581665 563187664 /nfs/dbraw/zinc/18/76/64/563187664.db2.gz GVNQOSHOAOUTGR-UHFFFAOYSA-N -1 0 447.538 5.307 1 0 IKAFRM Cc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)[N-]c3nccs3)cc2F)cs1 ZINC000095582717 563187935 /nfs/dbraw/zinc/18/79/35/563187935.db2.gz POUZJAAWKPZSFE-UHFFFAOYSA-N -1 0 447.538 5.307 1 0 IKAFRM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000095585658 563188959 /nfs/dbraw/zinc/18/89/59/563188959.db2.gz BSAMZKIVXZVOPA-UHFFFAOYSA-N -1 0 428.724 6.240 1 0 IKAFRM O=S(=O)([N-]c1ccc(Oc2cncc(Cl)c2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000095590369 563189982 /nfs/dbraw/zinc/18/99/82/563189982.db2.gz IGYVYFSWBONPAC-UHFFFAOYSA-N -1 0 447.702 5.774 1 0 IKAFRM COc1ccccc1[C@H]1c2c(C(C)=O)n[n-]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177196 563196340 /nfs/dbraw/zinc/19/63/40/563196340.db2.gz ARNNHNIPNHKWHN-QHCPKHFHSA-N -1 0 429.501 5.099 1 0 IKAFRM O=C([O-])C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(-c2ccc(F)cc2Cl)c1)O3 ZINC000096269857 563196677 /nfs/dbraw/zinc/19/66/77/563196677.db2.gz JPTXYNMLYMHISJ-IQMFZBJNSA-N -1 0 440.854 5.609 1 0 IKAFRM O=C([O-])c1sc2cc(N3C(=S)N=NC3c3c[nH]c4ccccc43)ccc2c1Cl ZINC000096273168 563196830 /nfs/dbraw/zinc/19/68/30/563196830.db2.gz YQRUPZKSAQGHOW-UHFFFAOYSA-N -1 0 426.910 5.271 1 0 IKAFRM CC(C)c1c(/C=C/[C@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C1CCCCC1 ZINC000096905850 563197566 /nfs/dbraw/zinc/19/75/66/563197566.db2.gz ZWIPFIHQXHUPPL-JSJGNVMISA-N -1 0 443.559 5.523 1 0 IKAFRM CN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000096924199 563198071 /nfs/dbraw/zinc/19/80/71/563198071.db2.gz LAPSIKBBVMYKNM-UHFFFAOYSA-N -1 0 435.332 6.084 1 0 IKAFRM CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@H]3CC[C@@]21C ZINC000040165413 574414603 /nfs/dbraw/zinc/41/46/03/574414603.db2.gz UQFZKTIHSICSPG-SSSKEJMDSA-N -1 0 444.700 7.090 1 0 endogenous,in-man IKAFRM O=c1c2c(oc([O-])c1[C@@H](c1ccccc1)C1CC1)[C@H](C[C@@H]1CCCCO1)CCCCCC2 ZINC000100712838 581098897 /nfs/dbraw/zinc/09/88/97/581098897.db2.gz XXSASKYQBJOXAE-FIXSFTCYSA-N -1 0 436.592 6.437 1 0 IKAFRM O=c1c2c(oc([O-])c1[C@@H](c1ccccc1)C1CC1)[C@@H](C[C@@H]1CCCCO1)CCCCCC2 ZINC000100712843 581098924 /nfs/dbraw/zinc/09/89/24/581098924.db2.gz XXSASKYQBJOXAE-GPXNEJASSA-N -1 0 436.592 6.437 1 0 IKAFRM CC[C@@H](C)OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)cnn1C ZINC000095573429 541108009 /nfs/dbraw/zinc/10/80/09/541108009.db2.gz BQNLUASQEMLEMB-MRXNPFEDSA-N -1 0 433.508 5.217 1 0 IKAFRM CC(C)=CCC/C(=C/CC/C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)[O-] ZINC000084153839 291396278 /nfs/dbraw/zinc/39/62/78/291396278.db2.gz CWYYWDRQIIFZHK-FZOQNIMRSA-N -1 0 426.597 7.048 1 0 biogenic,in-vitro IKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@@H]5[C@](C)(CCC[C@]5(C)O)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000095486109 291398173 /nfs/dbraw/zinc/39/81/73/291398173.db2.gz BQLQQKHHDJZFAD-GQRWBQGPSA-N -1 0 442.684 6.988 1 0 biogenic,in-vitro IKAFRM CC1=CCC(=O)[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000095909885 291400537 /nfs/dbraw/zinc/40/05/37/291400537.db2.gz WOUUSXJIFCWUAA-YSXWPCEOSA-N -1 0 438.652 6.972 1 0 biogenic,in-vitro IKAFRM CCCCC[C@H](O)/C=C/C(=C/C1CCC(CCCC(=O)[O-])CC1)Cc1cccc(O)c1 ZINC000085490932 291403089 /nfs/dbraw/zinc/40/30/89/291403089.db2.gz UYJBVAUHODQDOX-LJOGGGEVSA-N -1 0 428.613 6.420 1 0 biogenic,in-vitro IKAFRM CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000095918678 291404337 /nfs/dbraw/zinc/40/43/37/291404337.db2.gz XPNSFEVVHOQVGG-MWKKVVBQSA-N -1 0 444.744 8.445 1 0 biogenic,in-vitro IKAFRM O=C([O-])CCCCCCCCCCCCCCCCCCCCc1ccc2c(c1)OCO2 ZINC000084153848 560046197 /nfs/dbraw/zinc/04/61/97/560046197.db2.gz KLBSBBUHUGIULX-UHFFFAOYSA-N -1 0 446.672 8.454 1 0 biogenic,in-vitro IKAFRM COc1cc2c(cc1[O-])oc1cc(OC)c(CCC=C(C)C)c(=O)c-1c2CCC=C(C)C ZINC000100076445 560053591 /nfs/dbraw/zinc/05/35/91/560053591.db2.gz XUBGVPPNJQYZTR-WQRHYEAKSA-N -1 0 436.548 6.908 1 0 biogenic,in-vitro IKAFRM CC(C)(C)CN1c2ccc(Cl)cc2[C@H](c2ccccc2Cl)O[C@@H](CC(=O)[O-])C1=O ZINC000013515212 560218192 /nfs/dbraw/zinc/21/81/92/560218192.db2.gz BHDQOMHFEOHAQK-ICSRJNTNSA-N -1 0 436.335 5.335 1 0 in-vitro IKAFRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)[O-] ZINC000014769195 560226118 /nfs/dbraw/zinc/22/61/18/560226118.db2.gz OYFUVVSDGVEUMN-DOFZRALJSA-N -1 0 444.744 10.118 1 0 in-vitro IKAFRM COc1ccc2c(c1)c(C[C@@H](C)CC(=O)[O-])c(C)n2Cc1ccc(Br)cc1 ZINC000000840512 562919387 /nfs/dbraw/zinc/91/93/87/562919387.db2.gz AXFSURYONUFFTK-CQSZACIVSA-N -1 0 430.342 5.422 1 0 in-vivo IKAFRM CCCc1oc(-c2ccccc2)nc1CCc1noc2cc(OC(C)(C)C(=O)[O-])ccc21 ZINC000000593307 562918384 /nfs/dbraw/zinc/91/83/84/562918384.db2.gz ABMHTDHRBBZHKQ-UHFFFAOYSA-N -1 0 434.492 5.463 1 0 IKAFRM CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(CCc3ccccc3)cc2)c1)C(=O)[O-] ZINC000000595452 562918431 /nfs/dbraw/zinc/91/84/31/562918431.db2.gz NPNLXHGSUNVFGS-DEOSSOPVSA-N -1 0 445.559 5.064 1 0 IKAFRM COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000000601101 562918593 /nfs/dbraw/zinc/91/85/93/562918593.db2.gz WUJUBERMAKRECF-UHFFFAOYSA-N -1 0 426.683 5.234 1 0 in-vivo IKAFRM Cc1cc(Br)ccc1NC(=O)C[C@H](CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000001045937 562920115 /nfs/dbraw/zinc/92/01/15/562920115.db2.gz BEIWRPVXCDHVKJ-LLVKDONJSA-N -1 0 445.140 5.651 1 0 IKAFRM CCCCC1=NS(=O)(=O)c2ccccc2N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000001540841 562922660 /nfs/dbraw/zinc/92/26/60/562922660.db2.gz CACJWIQAJURPOD-UHFFFAOYSA-N -1 0 448.544 5.349 1 0 IKAFRM O=C([O-])CCS[C@H](C[C@@]1(c2ccc(Cl)cc2)NC(=O)CCS1)c1ccccc1 ZINC000001655277 562924030 /nfs/dbraw/zinc/92/40/30/562924030.db2.gz IERRFVNPGRBDLP-WIYYLYMNSA-N -1 0 435.998 5.085 1 0 IKAFRM Cc1oc(-c2cccc(F)c2)nc1Cc1cc2cc(C[C@@H]3SC(=O)[N-]C3=O)ccc2o1 ZINC000003787019 562937862 /nfs/dbraw/zinc/93/78/62/562937862.db2.gz BSJQIHBZFIPLKL-FQEVSTJZSA-N -1 0 436.464 5.020 1 0 IKAFRM Cc1oc(-c2cccc(C)c2)nc1Cc1cc2cc(C[C@@H]3SC(=O)[N-]C3=O)ccc2o1 ZINC000003786995 562937866 /nfs/dbraw/zinc/93/78/66/562937866.db2.gz RRYQYSCJUAIIMB-NRFANRHFSA-N -1 0 432.501 5.190 1 0 IKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC000003792477 562938032 /nfs/dbraw/zinc/93/80/32/562938032.db2.gz GXYPCQWGCDUYBJ-QHCPKHFHSA-N -1 0 449.938 5.599 1 0 IKAFRM O=C([O-])[C@H]1Cc2c(cccc2-c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000003796582 562938110 /nfs/dbraw/zinc/93/81/10/562938110.db2.gz QKYLPODJLPEBMX-HHHXNRCGSA-N -1 0 447.534 5.524 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4c(Cl)c(C(=O)[O-])ccc4[C@H]3CC[C@]12C)C(C)C ZINC000003799795 562938247 /nfs/dbraw/zinc/93/82/47/562938247.db2.gz XVYXTWNMYZNOEB-SGNNQLCQSA-N -1 0 446.031 6.156 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000003823482 562938888 /nfs/dbraw/zinc/93/88/88/562938888.db2.gz CMNGXYDMBZROEM-NTKDMRAZSA-N -1 0 427.548 5.511 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C\CCCC(=O)[O-])[C@H]2NC(=O)c1csc2ccc(F)cc12 ZINC000003960639 562940077 /nfs/dbraw/zinc/94/00/77/562940077.db2.gz BELXZBLLLPZNRW-MFJOXFORSA-N -1 0 443.584 6.022 1 0 IKAFRM O=C([O-])c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O ZINC000004392972 562943240 /nfs/dbraw/zinc/94/32/40/562943240.db2.gz NZQDWKCNBOELAI-KSFYIVLOSA-N -1 0 428.406 5.355 1 0 investigational IKAFRM O=C([O-])c1c(O)cccc1NC(=O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1 ZINC000012341156 562981139 /nfs/dbraw/zinc/98/11/39/562981139.db2.gz KKXSDSWMIHFYQS-UHFFFAOYSA-N -1 0 425.440 5.802 1 0 IKAFRM CCOc1cccc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)[O-])c2)c1 ZINC000012358149 562981513 /nfs/dbraw/zinc/98/15/13/562981513.db2.gz LGBAGNSJMLBFGM-UHFFFAOYSA-N -1 0 430.287 6.010 1 0 IKAFRM CCO[C@H](Cc1ccc(OCCN2c3ccccc3C=Cc3ccccc32)cc1)C(=O)[O-] ZINC000012358192 562981641 /nfs/dbraw/zinc/98/16/41/562981641.db2.gz WHIIUMONQPXPQT-AREMUKBSSA-N -1 0 429.516 5.420 1 0 IKAFRM CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(CCc3ccccc3)cc2)c1)C(=O)[O-] ZINC000012358343 562981648 /nfs/dbraw/zinc/98/16/48/562981648.db2.gz NPNLXHGSUNVFGS-XMMPIXPASA-N -1 0 445.559 5.064 1 0 IKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccc(CC(=O)[O-])cc1 ZINC000012358238 562981655 /nfs/dbraw/zinc/98/16/55/562981655.db2.gz WHSSPKJMHSINQB-UHFFFAOYSA-N -1 0 445.515 5.922 1 0 IKAFRM CC[C@H](Cc1ccc(OC)c(C(=O)NCc2cccc(Oc3ccccc3)c2)c1)C(=O)[O-] ZINC000012358338 562981656 /nfs/dbraw/zinc/98/16/56/562981656.db2.gz JZACFHMGKWLZCJ-HXUWFJFHSA-N -1 0 433.504 5.071 1 0 IKAFRM CC(C)(C)CCCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O ZINC000012358372 562981658 /nfs/dbraw/zinc/98/16/58/562981658.db2.gz AOUVEUHNGDWKMB-HSZRJFAPSA-N -1 0 439.552 5.093 1 0 IKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2O1 ZINC000012358562 562981795 /nfs/dbraw/zinc/98/17/95/562981795.db2.gz HSKSXVIDFRFRQN-HHHXNRCGSA-N -1 0 448.515 5.885 1 0 IKAFRM COc1cccc(OC)c1-c1ccc(C[C@@H](Nc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000013439253 562986134 /nfs/dbraw/zinc/98/61/34/562986134.db2.gz LNBVIKRDKWFEFG-LJQANCHMSA-N -1 0 446.330 5.785 1 0 IKAFRM CCCCC(=O)c1c(C)c(C)c(O)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1C ZINC000013456371 562987689 /nfs/dbraw/zinc/98/76/89/562987689.db2.gz VQDJPRGGJLXJQO-JOCHJYFZSA-N -1 0 442.571 6.996 1 0 IKAFRM COC(=O)c1cccc(-c2ccc(NCc3ccccc3[S-])cc2-c2ccccc2)c1 ZINC000013471863 562987857 /nfs/dbraw/zinc/98/78/57/562987857.db2.gz MHKDPPYONZXCMB-UHFFFAOYSA-N -1 0 425.553 6.708 1 0 IKAFRM O=C(COc1ccc(OCCCCCc2ccccc2)cc1)COc1ccc(C(=O)[O-])cc1 ZINC000013472822 562988180 /nfs/dbraw/zinc/98/81/80/562988180.db2.gz LCBOXDJCUOUJBM-UHFFFAOYSA-N -1 0 448.515 5.204 1 0 IKAFRM COc1ccc(C2=C(C(=O)[O-])[C@@H](c3ccc(OC)cc3)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473402 562988330 /nfs/dbraw/zinc/98/83/30/562988330.db2.gz KEBCCDBUEWIYNJ-AREMUKBSSA-N -1 0 446.499 5.511 1 0 IKAFRM CC(C)(C)c1ccc(-c2cccc(-c3nc4c(ccc5cc(C(=O)[O-])cc(O)c45)[nH]3)c2)cc1 ZINC000013475414 562988914 /nfs/dbraw/zinc/98/89/14/562988914.db2.gz PIEPXWFWRZNOOU-UHFFFAOYSA-N -1 0 436.511 6.751 1 0 IKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1ccccc1CC(=O)[O-] ZINC000013488257 562989708 /nfs/dbraw/zinc/98/97/08/562989708.db2.gz XJZKZXRCUUNPQX-UHFFFAOYSA-N -1 0 445.515 5.922 1 0 IKAFRM O=C1[N-]C(=O)[C@H](c2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2)S1 ZINC000013489933 562990091 /nfs/dbraw/zinc/99/00/91/562990091.db2.gz PRNUTUAJBKBRMG-QFIPXVFZSA-N -1 0 435.501 5.351 1 0 IKAFRM C[S@@](=O)c1cc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)ccc1[O-] ZINC000013491683 562990556 /nfs/dbraw/zinc/99/05/56/562990556.db2.gz CDVVFTWMBBYLJY-PMERELPUSA-N -1 0 439.537 5.013 1 0 IKAFRM CC(/C=C/C=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)(F)F)=C\C(=O)[O-] ZINC000013522257 562991349 /nfs/dbraw/zinc/99/13/49/562991349.db2.gz LLVWDWDMKXWCFT-XRYBSMBUSA-N -1 0 438.530 7.213 1 0 IKAFRM CC(/C=C/c1ccccc1-c1cc(C(C)C)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013527155 562991771 /nfs/dbraw/zinc/99/17/71/562991771.db2.gz CYIQJMUSSBGDPA-RJXLRZCOSA-N -1 0 428.519 7.288 1 0 IKAFRM CC(/C=C/c1sccc1-c1cc(C(C)C)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013527141 562991786 /nfs/dbraw/zinc/99/17/86/562991786.db2.gz BWVWYJNVUWUHAQ-XDHFRCMDSA-N -1 0 434.548 7.350 1 0 IKAFRM O=C([O-])C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)c(Cl)c2)CCC1 ZINC000013534146 562992285 /nfs/dbraw/zinc/99/22/85/562992285.db2.gz ZJLHIVLNHLYNQI-UHFFFAOYSA-N -1 0 425.790 5.409 1 0 IKAFRM C/C(=C/C=C/C(C)=C(\F)C(=O)[O-])c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F ZINC000013539343 562992710 /nfs/dbraw/zinc/99/27/10/562992710.db2.gz CIDIUAOPKQNEKM-GRAGKPCESA-N -1 0 438.530 7.213 1 0 IKAFRM CC(=C\C(=O)[O-])/C(F)=C/C=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F ZINC000013539340 562992752 /nfs/dbraw/zinc/99/27/52/562992752.db2.gz VKZJAKMQGKQVKR-UKWPUHOFSA-N -1 0 438.530 7.213 1 0 IKAFRM C[C@H](CC(=O)[O-])c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 ZINC000013554041 562993018 /nfs/dbraw/zinc/99/30/18/562993018.db2.gz XBHVHPVSZSYEAH-LJQANCHMSA-N -1 0 428.553 7.239 1 0 IKAFRM O=C([O-])c1ccc(CNc2ccc3c(/C=C/c4cccc(C(F)(F)F)c4)cccc3c2)cc1 ZINC000013560097 562994096 /nfs/dbraw/zinc/99/40/96/562994096.db2.gz MSJLRXFOVGIHPD-JXMROGBWSA-N -1 0 447.456 7.339 1 0 IKAFRM CC[C@H](C(=O)NC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[P@@](=O)([O-])O ZINC000013587945 562995908 /nfs/dbraw/zinc/99/59/08/562995908.db2.gz RSBDIBAMWNTGCI-VRWWAXLVSA-N -1 0 439.577 6.205 1 0 IKAFRM CCc1cccc(C[C@@](C)(Oc2ccc([C@H]3CCSc4ccccc43)cc2)C(=O)[O-])c1 ZINC000013604865 562997111 /nfs/dbraw/zinc/99/71/11/562997111.db2.gz XUHPJPMTCLHFID-YIXXDRMTSA-N -1 0 432.585 6.342 1 0 IKAFRM CCc1cccc(C[C@@](C)(Oc2ccc([C@@H]3CCSc4ccccc43)cc2)C(=O)[O-])c1 ZINC000013604861 562997117 /nfs/dbraw/zinc/99/71/17/562997117.db2.gz XUHPJPMTCLHFID-WNCULLNHSA-N -1 0 432.585 6.342 1 0 IKAFRM CN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000013609956 562997645 /nfs/dbraw/zinc/99/76/45/562997645.db2.gz RKXYYOWQKKXNBB-UHFFFAOYSA-N -1 0 438.955 5.796 1 0 IKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)Nc1ccccc1[C@H](c1ccc(C(=O)[O-])cc1)N3 ZINC000013651740 562999250 /nfs/dbraw/zinc/99/92/50/562999250.db2.gz SLCMRZCTMPSNQW-VWLOTQADSA-N -1 0 426.560 6.992 1 0 IKAFRM CC[C@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(C(F)(F)F)cc3Cl)ccc2O1 ZINC000013671841 563000046 /nfs/dbraw/zinc/00/00/46/563000046.db2.gz UBQQRAJQIMDDRW-HXUWFJFHSA-N -1 0 444.833 5.375 1 0 IKAFRM CC(C)(C)c1nc(C(=O)Nc2cccc(C(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674733 563000352 /nfs/dbraw/zinc/00/03/52/563000352.db2.gz HKBYMWFROSMGAG-UHFFFAOYSA-N -1 0 449.595 5.807 1 0 IKAFRM O=C([O-])c1sccc1C(=O)Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F ZINC000013681618 563000964 /nfs/dbraw/zinc/00/09/64/563000964.db2.gz CGNHUSCKOHDSMR-UHFFFAOYSA-N -1 0 443.349 5.542 1 0 in-vivo IKAFRM COc1ccc(/C=C/c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OCC(=O)[O-] ZINC000013727341 563001400 /nfs/dbraw/zinc/00/14/00/563001400.db2.gz QARGKJKXAKUEJW-FYWRMAATSA-N -1 0 427.456 5.651 1 0 IKAFRM O=C([O-])COc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1 ZINC000013727421 563001465 /nfs/dbraw/zinc/00/14/65/563001465.db2.gz IZGNVEKEDYRVLV-UHFFFAOYSA-N -1 0 435.426 5.535 1 0 IKAFRM CC(C)(Oc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1)C(=O)[O-] ZINC000013727378 563001549 /nfs/dbraw/zinc/00/15/49/563001549.db2.gz WDRQADMQYLOVBZ-UHFFFAOYSA-N -1 0 427.500 6.036 1 0 IKAFRM CCCCc1nc2cc(NC(C)=O)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732026 563001881 /nfs/dbraw/zinc/00/18/81/563001881.db2.gz HYVAXSWWMCGPNH-UHFFFAOYSA-N -1 0 441.531 5.751 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N[C@@H](C(=O)[O-])c2ccccc2C)c(C)c1 ZINC000013732526 563002047 /nfs/dbraw/zinc/00/20/47/563002047.db2.gz OAKACKCADRSBBV-RUZDIDTESA-N -1 0 442.563 5.513 1 0 IKAFRM CC(C)c1cccc(C(C)C)c1OC([O-])=NC(=O)Sc1c(C(C)C)cccc1C(C)C ZINC000013738030 563002821 /nfs/dbraw/zinc/00/28/21/563002821.db2.gz QMSFPROXLUXLJW-UHFFFAOYSA-N -1 0 441.637 8.181 1 0 IKAFRM CC(C)c1cccc(C(C)C)c1OC(=O)N=C([O-])Oc1c(C(C)C)cccc1C(C)C ZINC000013738018 563002825 /nfs/dbraw/zinc/00/28/25/563002825.db2.gz XNPOKGVGNAINFM-UHFFFAOYSA-N -1 0 425.569 7.468 1 0 IKAFRM O=C([O-])c1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000013741247 563003319 /nfs/dbraw/zinc/00/33/19/563003319.db2.gz BKEFCGHGDTYZRU-AREMUKBSSA-N -1 0 435.523 5.617 1 0 IKAFRM CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccccc1CCC(=O)[O-] ZINC000013744127 563003688 /nfs/dbraw/zinc/00/36/88/563003688.db2.gz CGTRZFIRPAQATN-UHFFFAOYSA-N -1 0 438.495 5.626 1 0 IKAFRM Cc1cccc(C(C)(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000013747560 563004250 /nfs/dbraw/zinc/00/42/50/563004250.db2.gz MPYOEDZHLICYDA-UHFFFAOYSA-N -1 0 447.597 5.952 1 0 IKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(C(=O)[O-])cc2c(Oc3ccccc3)cccc12 ZINC000013758714 563004695 /nfs/dbraw/zinc/00/46/95/563004695.db2.gz UBGXNKYGYMVHLS-UHFFFAOYSA-N -1 0 439.511 5.574 1 0 IKAFRM CCCCCOc1cccc2c(CC(=O)N(C)CCc3ccccc3)cc(C(=O)[O-])cc12 ZINC000013758722 563004750 /nfs/dbraw/zinc/00/47/50/563004750.db2.gz CZUYXBVQHOWGJJ-UHFFFAOYSA-N -1 0 433.548 5.351 1 0 IKAFRM CC1=C2C=C(C(=O)[O-])CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)N(C(C)C)C(C)C)CC[C@H]3[C@@H]2C1 ZINC000013761803 563005293 /nfs/dbraw/zinc/00/52/93/563005293.db2.gz QSMQHWFDJPPRLO-UNAQZMTBSA-N -1 0 441.656 6.222 1 0 IKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)Oc1ccccc1N=C3c1ccc(C(=O)[O-])cc1 ZINC000013775911 563005798 /nfs/dbraw/zinc/00/57/98/563005798.db2.gz VHWRWWJQWCDHLB-UHFFFAOYSA-N -1 0 425.528 7.009 1 0 IKAFRM COc1ccc(C(=O)[O-])cc1NC(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000013782724 563006838 /nfs/dbraw/zinc/00/68/38/563006838.db2.gz MTGCLLIJOGFTEB-WBWKYDSYSA-N -1 0 431.488 5.575 1 0 IKAFRM CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)c(OCCCC(=O)[O-])c1 ZINC000013782699 563006899 /nfs/dbraw/zinc/00/68/99/563006899.db2.gz KUHZCJASZJFLNM-XJZVHDHVSA-N -1 0 439.552 5.342 1 0 IKAFRM CCCCC1=NC(CCC)(CCC)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833558 563011836 /nfs/dbraw/zinc/01/18/36/563011836.db2.gz UVJGLBZADFJNOL-UHFFFAOYSA-N -1 0 434.580 6.322 1 0 IKAFRM CS[C@@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834147 563011895 /nfs/dbraw/zinc/01/18/95/563011895.db2.gz KPYUAGMNCDNPKC-QFIPXVFZSA-N -1 0 445.540 6.119 1 0 IKAFRM CC(C)=C[C@H](C(=O)[O-])/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000014691428 563014842 /nfs/dbraw/zinc/01/48/42/563014842.db2.gz XZBFFTFZGNJTEM-WOXDSGOHSA-N -1 0 426.597 6.904 1 0 IKAFRM O=C([O-])c1cnc2cc(C=Cc3ccncc3)ccc2c1Nc1ccc(Cl)cc1Cl ZINC000014945497 563015324 /nfs/dbraw/zinc/01/53/24/563015324.db2.gz VYYOCWCZAYKVIM-OWOJBTEDSA-N -1 0 436.298 5.971 1 0 IKAFRM Cc1cccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)c1 ZINC000014969139 563016477 /nfs/dbraw/zinc/01/64/77/563016477.db2.gz OSDJZABHEFWQAU-UHFFFAOYSA-N -1 0 428.120 5.116 1 0 IKAFRM COc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])cc2)n1 ZINC000014977193 563017111 /nfs/dbraw/zinc/01/71/11/563017111.db2.gz HBKNDUAKMHVGNM-SFHVURJKSA-N -1 0 439.533 5.171 1 0 IKAFRM O=C([O-])COc1cccc2c1CCC[C@H]2CCCCOC(c1ccccc1)c1ccccc1 ZINC000026019530 563028638 /nfs/dbraw/zinc/02/86/38/563028638.db2.gz ZLRJZZUDGYOIIR-JOCHJYFZSA-N -1 0 444.571 6.546 1 0 IKAFRM O=C([O-])COc1cccc2c1CC[C@@H](CCCOC(c1ccccc1)c1ccccc1)C2 ZINC000026018949 563028652 /nfs/dbraw/zinc/02/86/52/563028652.db2.gz SZCIIKUEIKXODL-OAQYLSRUSA-N -1 0 430.544 5.841 1 0 IKAFRM O=C([O-])C1(c2ccc3c(c2)CC[C@H]([C@@H](c2ccccc2)C2CCCCC2)[C@H]3O)CCCC1 ZINC000026393815 563031755 /nfs/dbraw/zinc/03/17/55/563031755.db2.gz CFFLVOXYZXMTHE-PVHODMMVSA-N -1 0 432.604 6.543 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C/CCCC(=O)[O-])[C@H]2NC(=O)c1csc2c1CCCC2 ZINC000026500187 563032669 /nfs/dbraw/zinc/03/26/69/563032669.db2.gz SVOYWFRIXKGEKC-XFVZBYQBSA-N -1 0 429.626 5.609 1 0 IKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(/C=C/C(=O)[O-])cc3OC)c2c1 ZINC000026498725 563032711 /nfs/dbraw/zinc/03/27/11/563032711.db2.gz VEPRUAAGPVUVBJ-CWUFLNSKSA-N -1 0 448.563 5.951 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C/CCCC(=O)[O-])[C@H]2NC(=O)c1cccc2ccsc21 ZINC000026501723 563032762 /nfs/dbraw/zinc/03/27/62/563032762.db2.gz PRAQOLJQDLFDPN-IGYRFOHYSA-N -1 0 425.594 5.883 1 0 IKAFRM O=C(Nc1ccc(Sc2nc3ccccc3s2)nc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000026506612 563033006 /nfs/dbraw/zinc/03/30/06/563033006.db2.gz GHOCUPUZWUQCGD-UHFFFAOYSA-N -1 0 448.356 6.107 1 0 IKAFRM O=C(Nc1ccc(Sc2nc3ccccc3s2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000026570979 563033366 /nfs/dbraw/zinc/03/33/66/563033366.db2.gz JZNKQQVSIQJQJN-UHFFFAOYSA-N -1 0 447.368 6.712 1 0 IKAFRM CCCc1ccc(-c2ccsc2S(=O)(=O)[N-]c2onc(C)c2Br)cc1 ZINC000026640676 563034395 /nfs/dbraw/zinc/03/43/95/563034395.db2.gz LNLVEJQUXLDABL-UHFFFAOYSA-N -1 0 441.372 5.227 1 0 IKAFRM CCCCc1c(COc2ccc(C(=O)CCCCC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000026664914 563035053 /nfs/dbraw/zinc/03/50/53/563035053.db2.gz OHXBNFAVAOPTAA-UHFFFAOYSA-N -1 0 426.509 5.344 1 0 IKAFRM CC(C)=CCn1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000026724613 563035736 /nfs/dbraw/zinc/03/57/36/563035736.db2.gz XSKGOISZZYTHNB-LVZFUZTISA-N -1 0 446.547 5.893 1 0 IKAFRM CN(CCc1ccccc1)C(=O)c1cc(C(=O)[O-])cc2c(OCc3ccccc3)cccc12 ZINC000026726949 563035830 /nfs/dbraw/zinc/03/58/30/563035830.db2.gz DHPIFUZVGKCSLP-UHFFFAOYSA-N -1 0 439.511 5.432 1 0 IKAFRM Cc1ccc(C)n1[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] ZINC000026836972 563037415 /nfs/dbraw/zinc/03/74/15/563037415.db2.gz BZNSKKDWJQESLV-VWLOTQADSA-N -1 0 444.531 5.558 1 0 IKAFRM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccc2ccccc2c1 ZINC000027188353 563040302 /nfs/dbraw/zinc/04/03/02/563040302.db2.gz XFEZYHAUMXJDJK-ATEVHTGXSA-N -1 0 433.507 5.064 1 0 IKAFRM CCO[C@H](Cc1ccc2oc(Cc3nc(-c4ccc(OC)cc4)oc3C)cc2c1)C(=O)[O-] ZINC000027300346 563041190 /nfs/dbraw/zinc/04/11/90/563041190.db2.gz PWUBBXRJPNAKRU-HSZRJFAPSA-N -1 0 435.476 5.028 1 0 IKAFRM CC(C)c1ccccc1SC1=CC=C(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)[C@@H](F)[C@@H]1F ZINC000027518033 563042504 /nfs/dbraw/zinc/04/25/04/563042504.db2.gz MIPWTBSINKWPRN-JFNAMPKPSA-N -1 0 447.547 5.282 1 0 IKAFRM CC(C)c1ccccc1SC1=CC=C(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)[C@H](F)[C@H]1F ZINC000027518036 563042519 /nfs/dbraw/zinc/04/25/19/563042519.db2.gz MIPWTBSINKWPRN-VYPDXDIHSA-N -1 0 447.547 5.282 1 0 IKAFRM CCC[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1N1CCCCC1 ZINC000027559338 563044099 /nfs/dbraw/zinc/04/40/99/563044099.db2.gz TVSZIMCWXIAULW-NRFANRHFSA-N -1 0 428.960 5.229 1 0 IKAFRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1N1CCCCCCC1 ZINC000027559396 563044153 /nfs/dbraw/zinc/04/41/53/563044153.db2.gz YLWFCFZHKFLKJV-QGZVFWFLSA-N -1 0 428.960 5.229 1 0 IKAFRM O=C([O-])c1ccc(CC(=O)N[C@H](c2ccccc2N2CCCCC2)C2CCCCC2)cc1 ZINC000027563914 563044413 /nfs/dbraw/zinc/04/44/13/563044413.db2.gz DTAYQSVAVGWOQJ-SANMLTNESA-N -1 0 434.580 5.355 1 0 IKAFRM COc1cccc(OC)c1C(=O)C[C@H](CC(=O)c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC000027639592 563044966 /nfs/dbraw/zinc/04/49/66/563044966.db2.gz BGTQFGLHPOXYMJ-FQEVSTJZSA-N -1 0 432.472 5.032 1 0 IKAFRM Cc1cc(F)ccc1C(=O)CC(CC(=O)c1ccc(F)cc1C)c1cccc(C(=O)[O-])c1 ZINC000027641611 563044978 /nfs/dbraw/zinc/04/49/78/563044978.db2.gz SPBDVFHKFYFYRP-UHFFFAOYSA-N -1 0 436.454 5.909 1 0 IKAFRM CC(C)c1sc(-c2ccccc2)c(-c2cccs2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027640814 563044985 /nfs/dbraw/zinc/04/49/85/563044985.db2.gz SSKPPTWXEIXROR-NDZBKKTDSA-N -1 0 442.602 5.867 1 0 IKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc(Cl)cc2)c1 ZINC000027638573 563045012 /nfs/dbraw/zinc/04/50/12/563045012.db2.gz FFGIBGINGKAPMB-UHFFFAOYSA-N -1 0 441.310 6.321 1 0 IKAFRM C[C@]1(C2CCCC2)Cc2cc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c(Cl)c2C1=O ZINC000027649324 563045145 /nfs/dbraw/zinc/04/51/45/563045145.db2.gz YPHXROJGPSUIEQ-HSZRJFAPSA-N -1 0 433.331 6.206 1 0 IKAFRM CCCC[C@H](C(=O)[O-])N1C(=O)CS[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027842509 563047224 /nfs/dbraw/zinc/04/72/24/563047224.db2.gz GJUSKBLDPJHIIL-FYYLOGMGSA-N -1 0 441.593 5.994 1 0 IKAFRM COc1ccc2c(c1)c(C[C@H](C)CC(=O)[O-])c(C)n2Cc1ccc(Br)cc1 ZINC000027851927 563047289 /nfs/dbraw/zinc/04/72/89/563047289.db2.gz AXFSURYONUFFTK-AWEZNQCLSA-N -1 0 430.342 5.422 1 0 in-vivo IKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2COc2ccc(C(=O)[O-])cc21 ZINC000027890693 563048047 /nfs/dbraw/zinc/04/80/47/563048047.db2.gz LPJWKKBXDFNFED-VWLOTQADSA-N -1 0 443.543 6.295 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@](O)(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028000018 563049150 /nfs/dbraw/zinc/04/91/50/563049150.db2.gz KESAVSDRFTYUOI-SUNJEODKSA-N -1 0 445.644 5.027 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028004459 563049351 /nfs/dbraw/zinc/04/93/51/563049351.db2.gz SCGSMSRTCYENTL-GOEYIHLASA-N -1 0 429.645 5.912 1 0 IKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)NCC(=O)[O-])c(Cl)c1Cl ZINC000028020771 563050032 /nfs/dbraw/zinc/05/00/32/563050032.db2.gz BODOXPRBLCFXNR-LSDHHAIUSA-N -1 0 438.376 5.572 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=C(C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028019191 563050076 /nfs/dbraw/zinc/05/00/76/563050076.db2.gz VCZWBSGVTXKGII-ITYOZXKKSA-N -1 0 427.629 5.688 1 0 IKAFRM O=C([O-])c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(C(F)(F)F)cc1)[C@H]2O ZINC000028094150 563050426 /nfs/dbraw/zinc/05/04/26/563050426.db2.gz CGYXAORNGVQPIO-OYHNWAKOSA-N -1 0 446.396 5.494 1 0 IKAFRM CC(C)Oc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)[O-])CC3)c(Cl)c1 ZINC000028124485 563051113 /nfs/dbraw/zinc/05/11/13/563051113.db2.gz IJNGGLKJGNXSIF-HSZRJFAPSA-N -1 0 434.916 5.143 1 0 IKAFRM O=C(c1ccc(-c2ccccc2)cc1)n1c2ccc(S(=O)(=O)[O-])cc2c2c1CCCC2 ZINC000028121230 563051143 /nfs/dbraw/zinc/05/11/43/563051143.db2.gz MWMCTJWDGFAWBE-UHFFFAOYSA-N -1 0 431.513 5.122 1 0 IKAFRM CC(C)CCC[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 ZINC000028458391 563054897 /nfs/dbraw/zinc/05/48/97/563054897.db2.gz VHSCWUOENVSGKM-UIUOHYDPSA-N -1 0 444.700 7.498 1 0 IKAFRM O=C([O-])C[C@@H](c1ccccc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028470652 563055444 /nfs/dbraw/zinc/05/54/44/563055444.db2.gz BEOOWKDNVJKISL-VWLOTQADSA-N -1 0 441.531 5.080 1 0 IKAFRM O=C([O-])c1ccc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1 ZINC000028474717 563055632 /nfs/dbraw/zinc/05/56/32/563055632.db2.gz GRCZXWCYJPSQLK-UHFFFAOYSA-N -1 0 441.483 5.517 1 0 IKAFRM O=c1oc2ccccc2c([O-])c1[C@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Oc2ccccc21 ZINC000028475934 563055715 /nfs/dbraw/zinc/05/57/15/563055715.db2.gz FMUGUAKWPMKECV-RPLLCQBOSA-N -1 0 446.502 6.821 1 0 IKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2C(F)(F)F)cc1)NC(=O)CCC1CCCC1 ZINC000028521011 563055907 /nfs/dbraw/zinc/05/59/07/563055907.db2.gz WHOTVOLJURNCHQ-HKWRFOASSA-N -1 0 447.453 6.010 1 0 IKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(F)cc4)c(F)c3)nc2c1 ZINC000028524765 563056622 /nfs/dbraw/zinc/05/66/22/563056622.db2.gz DWFDPTQIUGBTQE-ONNFQVAWSA-N -1 0 434.398 5.052 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(Cl)cc21 ZINC000028563603 563057682 /nfs/dbraw/zinc/05/76/82/563057682.db2.gz HTJDIOVINXLWIY-MOPGFXCFSA-N -1 0 439.939 6.066 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(Cc4ccc(F)cc4)oc3C)ccc21 ZINC000028565388 563057965 /nfs/dbraw/zinc/05/79/65/563057965.db2.gz DEEPBHHDSMSJBI-FYYLOGMGSA-N -1 0 437.511 5.475 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc5c(c4)OCO5)oc3C)ccc21 ZINC000028565607 563058045 /nfs/dbraw/zinc/05/80/45/563058045.db2.gz KIHPPFYHJKKNQT-FPOVZHCZSA-N -1 0 449.503 5.141 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc5c(c4)OCO5)oc3C)ccc21 ZINC000028565608 563058050 /nfs/dbraw/zinc/05/80/50/563058050.db2.gz KIHPPFYHJKKNQT-CTNGQTDRSA-N -1 0 449.503 5.141 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C)c(C)c4)oc3C)ccc21 ZINC000028565695 563058066 /nfs/dbraw/zinc/05/80/66/563058066.db2.gz FABGHKNECUUKMS-UPVQGACJSA-N -1 0 433.548 6.029 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(COc4ccccc4)oc3C)ccc21 ZINC000028565728 563058107 /nfs/dbraw/zinc/05/81/07/563058107.db2.gz OVYJLNXJESPOMP-GGAORHGYSA-N -1 0 435.520 5.324 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(COc4ccccc4)oc3C)ccc21 ZINC000028565726 563058141 /nfs/dbraw/zinc/05/81/41/563058141.db2.gz OVYJLNXJESPOMP-GMAHTHKFSA-N -1 0 435.520 5.324 1 0 IKAFRM O=C1OC(=Cc2cccc(C(F)(F)F)c2)C([O-])=C1c1ccc(-c2ccccc2)c(F)c1 ZINC000028565853 563058178 /nfs/dbraw/zinc/05/81/78/563058178.db2.gz CPXIYTXQDXGDPH-NDENLUEZSA-N -1 0 426.365 6.379 1 0 IKAFRM O=C([O-])COc1ccc(-c2nocc3c(C(=O)c4cccc(C(F)(F)F)c4)ccc2-3)cc1 ZINC000028568964 563058618 /nfs/dbraw/zinc/05/86/18/563058618.db2.gz LBGLXYOIWQDJJH-UHFFFAOYSA-N -1 0 441.361 5.160 1 0 IKAFRM CCCCCC(=O)Nc1noc(C)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569418 563058899 /nfs/dbraw/zinc/05/88/99/563058899.db2.gz XDNYVASFZXRZJI-UHFFFAOYSA-N -1 0 438.368 5.481 1 0 IKAFRM O=C([O-])CCc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1 ZINC000028571733 563059358 /nfs/dbraw/zinc/05/93/58/563059358.db2.gz QWHTUOJQQMXSOP-UHFFFAOYSA-N -1 0 444.886 6.137 1 0 IKAFRM CCCC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000028652309 563061210 /nfs/dbraw/zinc/06/12/10/563061210.db2.gz YKLQIFXBHVFFQC-KRWDZBQOSA-N -1 0 437.458 5.078 1 0 IKAFRM CCO[C@H](CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704710 563061897 /nfs/dbraw/zinc/06/18/97/563061897.db2.gz MYJXROCQWAHVTL-GOSISDBHSA-N -1 0 442.499 5.607 1 0 IKAFRM CC[C@@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704697 563061908 /nfs/dbraw/zinc/06/19/08/563061908.db2.gz KSCZMOSACZKJJW-HNNXBMFYSA-N -1 0 428.472 5.675 1 0 IKAFRM Cc1cc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OCC(=O)[O-] ZINC000028710190 563062495 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COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3ccc(Cl)cc3)cc2-c2ccc(C)cc2)cc1 ZINC000028962620 563070835 /nfs/dbraw/zinc/07/08/35/563070835.db2.gz PDPZAOPHCYXURU-DEOSSOPVSA-N -1 0 446.934 5.921 1 0 IKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3ccccc3OC)cc2-c2ccc(C)cc2)cc1 ZINC000028962639 563070844 /nfs/dbraw/zinc/07/08/44/563070844.db2.gz XUNSFHJCSYRYBZ-DEOSSOPVSA-N -1 0 442.515 5.276 1 0 IKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(C(=O)NCc3ccccc3)c2)c(Cl)c1 ZINC000028973605 563071289 /nfs/dbraw/zinc/07/12/89/563071289.db2.gz DBQMSDVEQUDKDW-UHFFFAOYSA-N -1 0 446.286 5.048 1 0 IKAFRM CC(C)(Oc1ccc(CNC(=O)Cc2ccc(-c3ccc(Cl)cc3)cc2)cc1)C(=O)[O-] ZINC000028979026 563071492 /nfs/dbraw/zinc/07/14/92/563071492.db2.gz XJHZTSUBHUYMGE-UHFFFAOYSA-N -1 0 437.923 5.108 1 0 IKAFRM C[C@H](Oc1ccc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)cc1)C(=O)[O-] ZINC000029059185 563073583 /nfs/dbraw/zinc/07/35/83/563073583.db2.gz BVPASOJHNPNCCC-NSHDSACASA-N -1 0 440.468 5.368 1 0 IKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2C)cc1 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CC[C@H](C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OC)c2c1)C1CCCCC1 ZINC000029482914 563081235 /nfs/dbraw/zinc/08/12/35/563081235.db2.gz JRPLXFUMVYKCNV-QHCPKHFHSA-N -1 0 448.563 5.941 1 0 IKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)[C@@H](C)c3ccccc3)cc21 ZINC000029482302 563081250 /nfs/dbraw/zinc/08/12/50/563081250.db2.gz ATXBVCQQRLOHPD-KRWDZBQOSA-N -1 0 428.488 5.139 1 0 IKAFRM O=C([O-])Cc1csc(NC(=O)[C@@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 ZINC000034046936 563085360 /nfs/dbraw/zinc/08/53/60/563085360.db2.gz HBAZTQMNTUKXSB-AWEZNQCLSA-N -1 0 427.353 5.380 1 0 IKAFRM CC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1)C(=O)[O-] ZINC000034233413 563085837 /nfs/dbraw/zinc/08/58/37/563085837.db2.gz KSCHLJOGABPFTR-LJQANCHMSA-N -1 0 433.504 5.071 1 0 IKAFRM O=C([O-])/C=C/c1cc(Cl)c(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 ZINC000034271448 563085987 /nfs/dbraw/zinc/08/59/87/563085987.db2.gz GGBIJLJGJOGADF-DAFODLJHSA-N -1 0 443.370 6.932 1 0 IKAFRM Cc1ccc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCC3)cc2)cc1 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ZINC000095582967 563188133 /nfs/dbraw/zinc/18/81/33/563188133.db2.gz PZDZGSRAYJXNGW-UHFFFAOYSA-N -1 0 447.487 5.415 1 0 IKAFRM O=C([O-])CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000095590524 563190085 /nfs/dbraw/zinc/19/00/85/563190085.db2.gz QEIXLCMDMQPYEZ-UHFFFAOYSA-N -1 0 432.907 6.103 1 0 IKAFRM CC(C)c1ccc(-n2nc(-c3ccccc3OCCCC(=O)[O-])cc2-c2ccccc2)cc1 ZINC000095590973 563190187 /nfs/dbraw/zinc/19/01/87/563190187.db2.gz OCTLQLOJFBDCBL-UHFFFAOYSA-N -1 0 440.543 6.573 1 0 IKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2CCc1ccc(OC(F)(F)F)cc1 ZINC000095596270 563191466 /nfs/dbraw/zinc/19/14/66/563191466.db2.gz MNEMOJGJWIZPMH-UHFFFAOYSA-N -1 0 442.389 6.187 1 0 IKAFRM O=C([O-])C[C@@H]1C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O ZINC000095605905 563194147 /nfs/dbraw/zinc/19/41/47/563194147.db2.gz OMAPWASVHLHIRY-XJABCFGWSA-N -1 0 432.347 5.552 1 0 IKAFRM C[C@@H](CCc1ccccc1)Oc1c(C(=O)NC2(C(=O)[O-])CCCC2)ccc2ccccc21 ZINC000096170063 563195541 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425.362 6.291 1 0 IKAFRM COc1cc([C@@H]2CC(c3ccc(Cl)cc3Cl)=NN2C(C)=O)cc2[n-]c(=S)oc21 ZINC000096934823 563199385 /nfs/dbraw/zinc/19/93/85/563199385.db2.gz LJAGQMODSPDEPY-INIZCTEOSA-N -1 0 436.320 5.503 1 0 IKAFRM CCCCOC(=O)CCCCCCC/C=C/CCCCCCCCOS(=O)(=O)[O-] ZINC000095619679 571798726 /nfs/dbraw/zinc/79/87/26/571798726.db2.gz DCFGGGCMICWSJX-SNAWJCMRSA-N -1 0 434.639 6.167 1 0 endogenous,in-man IKAFRM C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-] ZINC000261496137 571861930 /nfs/dbraw/zinc/86/19/30/571861930.db2.gz GYJSAWZGYQXRBS-HBBCNNETSA-N -1 0 432.645 5.424 1 0 endogenous,in-man IKAFRM CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1CC3 ZINC000040164568 574414563 /nfs/dbraw/zinc/41/45/63/574414563.db2.gz MYWAIWDQTCHPTH-ZEZHQYCLSA-N -1 0 442.684 7.154 1 0 endogenous,in-man IKAFRM O=c1c2c(oc([O-])c1[C@H](c1ccccc1)C1CC1)[C@H](C[C@@H]1CCCCO1)CCCCCC2 ZINC000100712834 581098902 /nfs/dbraw/zinc/09/89/02/581098902.db2.gz XXSASKYQBJOXAE-WPFOTENUSA-N -1 0 436.592 6.437 1 0 IKAFRM O=c1c2c(oc([O-])c1[C@H](c1ccccc1)C1CC1)[C@@H](C[C@@H]1CCCCO1)CCCCCC2 ZINC000100712841 581098987 /nfs/dbraw/zinc/09/89/87/581098987.db2.gz XXSASKYQBJOXAE-AOHZBQACSA-N -1 0 436.592 6.437 1 0 IKAFRM CO[C@H](Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)[O-] ZINC000034717752 581099714 /nfs/dbraw/zinc/09/97/14/581099714.db2.gz FVHQEMSSJWJWJA-JOCHJYFZSA-N -1 0 441.911 5.099 1 0 IKAFRM C[C@@H](OC(=O)Nc1conc1-c1ccc(CCCCC(=O)[O-])cc1)c1ccccc1Cl ZINC000028903613 541108230 /nfs/dbraw/zinc/10/82/30/541108230.db2.gz JXCPADMQNWAIJT-OAHLLOKOSA-N -1 0 442.899 6.102 1 0 IKAFRM COC(C)(C)c1cc2c(o1)c(CC=C(C)C)c1occ(-c3ccc(O)cc3)c(=O)c1c2[O-] ZINC000038269114 291405063 /nfs/dbraw/zinc/40/50/63/291405063.db2.gz POUISBVNFFZWQK-UHFFFAOYSA-N -1 0 434.488 6.008 1 0 biogenic,in-vitro IKAFRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2Oc2ccccc2)C1 ZINC000012341148 132340653 /nfs/dbraw/zinc/34/06/53/132340653.db2.gz YMZMFFRGSWCLPY-OALUTQOASA-N -1 0 444.531 5.912 1 0 IKAFRM O=C([O-])c1ccc(Cn2nc(C3CCCCC3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066105162 551090857 /nfs/dbraw/zinc/09/08/57/551090857.db2.gz YNBPQTVRDVQOFT-UHFFFAOYSA-N -1 0 444.453 6.243 1 0 IKAFRM C[C@H]1CCC2=C(CCC[C@@]2(C)C(=O)[O-])[C@]1(C)C[C@H](OC(=O)c1ccccc1)c1ccoc1 ZINC000085693939 560066807 /nfs/dbraw/zinc/06/68/07/560066807.db2.gz OMKNTJBUDYZWHX-VJIFMHEUSA-N -1 0 436.548 6.575 1 0 biogenic,in-vitro IKAFRM O=C([O-])CCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014494429 560221926 /nfs/dbraw/zinc/22/19/26/560221926.db2.gz DQDKWDYKDPDWMY-UHFFFAOYSA-N -1 0 440.753 9.206 1 0 in-vitro IKAFRM O=C([O-])c1ccc(OCc2ccc(Cl)cc2Cl)c(OCc2nc3ccccc3[nH]2)c1 ZINC000000589816 562918308 /nfs/dbraw/zinc/91/83/08/562918308.db2.gz ORYIPKSYDCPROY-UHFFFAOYSA-N -1 0 443.286 5.726 1 0 IKAFRM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)N(Cc1ccccc1)C(C)C ZINC000000604994 562918803 /nfs/dbraw/zinc/91/88/03/562918803.db2.gz 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CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC000011687600 562979099 /nfs/dbraw/zinc/97/90/99/562979099.db2.gz GXYPCQWGCDUYBJ-HSZRJFAPSA-N -1 0 449.938 5.599 1 0 IKAFRM CC(C)c1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1-c1ccccc1 ZINC000011688768 562979165 /nfs/dbraw/zinc/97/91/65/562979165.db2.gz VAVHMEQFYYBAPR-ITWZMISCSA-N -1 0 437.511 5.007 1 0 in-vitro IKAFRM CCO[C@@H](Cc1ccc(OCC=C(c2ccc(C)cc2)c2ccc(C)cc2)cc1)C(=O)[O-] ZINC000012358218 562981659 /nfs/dbraw/zinc/98/16/59/562981659.db2.gz HJVMRSUWCAIKRY-MHZLTWQESA-N -1 0 430.544 5.846 1 0 IKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358534 562981688 /nfs/dbraw/zinc/98/16/88/562981688.db2.gz NFRWHMBVJBMWTH-VWLOTQADSA-N -1 0 443.499 5.346 1 0 IKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358533 562981730 /nfs/dbraw/zinc/98/17/30/562981730.db2.gz NFRWHMBVJBMWTH-RUZDIDTESA-N -1 0 443.499 5.346 1 0 IKAFRM 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NXFKRXRDCGXBNM-UHFFFAOYSA-N -1 0 432.564 5.921 1 0 IKAFRM O=C([O-])COc1cccc2c(CSCCC(c3ccccc3)c3ccccc3)coc21 ZINC000013671538 562999929 /nfs/dbraw/zinc/99/99/29/562999929.db2.gz XDDDYAYBGTZPKC-UHFFFAOYSA-N -1 0 432.541 6.352 1 0 IKAFRM CC(C)c1nc(C(=O)Nc2cccc(C(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674731 563000338 /nfs/dbraw/zinc/00/03/38/563000338.db2.gz QOJWXDYKUJUWOW-UHFFFAOYSA-N -1 0 435.568 5.633 1 0 IKAFRM CCCCc1ncc(/C=C(\Cc2cccc(OC)c2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000013728121 563001471 /nfs/dbraw/zinc/00/14/71/563001471.db2.gz BCABMCCWTBWPCN-HMMYKYKNSA-N -1 0 438.955 5.647 1 0 IKAFRM Cc1cccc(-c2nc(CCc3cccc(OCC(=O)[O-])c3)oc2-c2cccc(C)c2)c1 ZINC000013727433 563001516 /nfs/dbraw/zinc/00/15/16/563001516.db2.gz OUWOGGQZDPXPMM-UHFFFAOYSA-N -1 0 427.500 5.874 1 0 IKAFRM CCCCc1ncc(/C=C(/C(=O)[O-])c2ccc3ccccc3c2)n1Cc1ccccc1Cl ZINC000013728093 563001547 /nfs/dbraw/zinc/00/15/47/563001547.db2.gz YTOZDIAPNMMRIS-LFVJCYFKSA-N -1 0 444.962 6.706 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(ccn2Cc2ccccc2C(=O)[O-])c1 ZINC000013732384 563001868 /nfs/dbraw/zinc/00/18/68/563001868.db2.gz WHKFJUXFEKLJTL-UHFFFAOYSA-N -1 0 438.531 5.360 1 0 IKAFRM CCCCc1nc2cccc(NC(C)=O)c2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732032 563001870 /nfs/dbraw/zinc/00/18/70/563001870.db2.gz OUIPQXNKYCCYKN-UHFFFAOYSA-N -1 0 441.531 5.751 1 0 IKAFRM CCCCN(CCCC)c1cccc2c1cccc2S(=O)(=O)[N-]c1onc(C)c1C ZINC000013741065 563003213 /nfs/dbraw/zinc/00/32/13/563003213.db2.gz HTBQRHCUFQDSRI-UHFFFAOYSA-N -1 0 429.586 5.652 1 0 IKAFRM CC[C@H](C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742324 563003397 /nfs/dbraw/zinc/00/33/97/563003397.db2.gz YTMCUMKRJFCDQP-YMIFCHIISA-N -1 0 434.536 5.898 1 0 IKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(C2CC2)c1-3 ZINC000013742692 563003500 /nfs/dbraw/zinc/00/35/00/563003500.db2.gz LSLCBGGPWJFMOU-UHFFFAOYSA-N -1 0 439.599 7.303 1 0 IKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)OC12CC3CC(CC(C3)C1)C2 ZINC000013747540 563004244 /nfs/dbraw/zinc/00/42/44/563004244.db2.gz MPEICCGRJUGTHS-UHFFFAOYSA-N -1 0 435.586 5.252 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](CC(=O)[O-])c2ccccc2F)cc1 ZINC000013756118 563004375 /nfs/dbraw/zinc/00/43/75/563004375.db2.gz GITTWZFFIVZQDR-NRFANRHFSA-N -1 0 431.511 5.405 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000013756172 563004474 /nfs/dbraw/zinc/00/44/74/563004474.db2.gz WJHFTQKLQHZHET-ILBGXUMGSA-N -1 0 441.575 5.902 1 0 IKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013761298 563005121 /nfs/dbraw/zinc/00/51/21/563005121.db2.gz GUXRWALDIOPQTB-AATRIKPKSA-N -1 0 443.208 5.844 1 0 IKAFRM Cc1ccccc1[C@H](CCC(=O)[O-])Oc1cc(OCc2ccsc2)ccc1-c1ncco1 ZINC000013780336 563006398 /nfs/dbraw/zinc/00/63/98/563006398.db2.gz ZPHRCCGTLMXVSK-QFIPXVFZSA-N -1 0 449.528 6.275 1 0 IKAFRM CCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)[N-]c1onc(C)c1C ZINC000013782438 563006820 /nfs/dbraw/zinc/00/68/20/563006820.db2.gz UWRIVGXQCAQQLS-UHFFFAOYSA-N -1 0 427.570 5.390 1 0 IKAFRM CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)c(OCCCC(=O)[O-])c1 ZINC000013782700 563006881 /nfs/dbraw/zinc/00/68/81/563006881.db2.gz KUHZCJASZJFLNM-LFNFIXQYSA-N -1 0 439.552 5.342 1 0 IKAFRM O=C([O-])c1ccc(COCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000013804845 563008300 /nfs/dbraw/zinc/00/83/00/563008300.db2.gz FMGLZKFNKJDYEA-UHFFFAOYSA-N -1 0 449.506 6.382 1 0 IKAFRM COc1ccc2c(ccc(Oc3ccccc3)c2C(=S)N(C)CC(=O)[O-])c1C(F)(F)F ZINC000013823534 563010291 /nfs/dbraw/zinc/01/02/91/563010291.db2.gz ZUCFSEQIJSYKQM-UHFFFAOYSA-N -1 0 449.450 5.351 1 0 IKAFRM CCCc1c(CSc2ccc(C(=O)CC(C)(C)CC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000013824183 563010404 /nfs/dbraw/zinc/01/04/04/563010404.db2.gz OEUTTZXEJVJLHE-UHFFFAOYSA-N -1 0 442.577 5.913 1 0 IKAFRM O=C([O-])c1cc(CCCCCCCCNS(=O)(=O)c2ccccc2)c2cccccc1-2 ZINC000013826273 563010469 /nfs/dbraw/zinc/01/04/69/563010469.db2.gz BIVLGCFIERNVTP-UHFFFAOYSA-N -1 0 439.577 5.351 1 0 IKAFRM CC(C)c1ccc2c(CCCCCNS(=O)(=O)c3ccccc3)cc(C(=O)[O-])c-2cc1 ZINC000013826281 563010488 /nfs/dbraw/zinc/01/04/88/563010488.db2.gz HKVGXASPMXYXFW-UHFFFAOYSA-N -1 0 439.577 5.304 1 0 IKAFRM CCCCC1=NC(C2CC2)(C2CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833560 563011835 /nfs/dbraw/zinc/01/18/35/563011835.db2.gz FQVWHIPNXPBODO-UHFFFAOYSA-N -1 0 430.548 5.542 1 0 IKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CCCCC(=O)[O-])[C@H]3CC[C@]12C ZINC000013862234 563012919 /nfs/dbraw/zinc/01/29/19/563012919.db2.gz CAVIYIZQRSPNFH-VHHOZFFRSA-N -1 0 434.661 6.858 1 0 IKAFRM COc1cccc(C(=O)C[C@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)c1 ZINC000013907050 563013910 /nfs/dbraw/zinc/01/39/10/563013910.db2.gz RUMNDTDQPUXGNU-FQEVSTJZSA-N -1 0 436.891 5.676 1 0 IKAFRM CO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)[O-] ZINC000013973813 563014095 /nfs/dbraw/zinc/01/40/95/563014095.db2.gz HPYPAVJBAFUABQ-XMMPIXPASA-N -1 0 431.488 5.067 1 0 IKAFRM Cc1cc(SCC2(COc3ccc(C(F)(F)F)cc3)CC2)ccc1OCC(=O)[O-] ZINC000013981360 563014180 /nfs/dbraw/zinc/01/41/80/563014180.db2.gz DHJLDTVERLSZQU-UHFFFAOYSA-N -1 0 426.456 5.429 1 0 IKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(-c3oc4cc([O-])cc(O)c4c(=O)c3O)ccc(O)c2O1 ZINC000014650054 563014725 /nfs/dbraw/zinc/01/47/25/563014725.db2.gz LBBKHSYDJWHLOM-RUZDIDTESA-N -1 0 436.460 5.193 1 0 IKAFRM O=C([O-])CCc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000014969151 563016460 /nfs/dbraw/zinc/01/64/60/563016460.db2.gz LWSPPCNYLDHZNN-UHFFFAOYSA-N -1 0 448.538 5.461 1 0 IKAFRM O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc5cc[nH]c5c4)cc3)ccc21 ZINC000014977081 563017106 /nfs/dbraw/zinc/01/71/06/563017106.db2.gz DIEDSCKQKIQIST-QHCPKHFHSA-N -1 0 441.527 6.187 1 0 IKAFRM Cc1cc([C@H](C)CC(=O)[O-])ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000014978152 563017146 /nfs/dbraw/zinc/01/71/46/563017146.db2.gz NPYHQSNOTFSWLT-CYBMUJFWSA-N -1 0 448.441 6.096 1 0 IKAFRM O=C(Nc1ccc2c(c1)n(O)c([O-])c2C(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000018159172 563022294 /nfs/dbraw/zinc/02/22/94/563022294.db2.gz TZNARLVBTOCKBQ-UHFFFAOYSA-N -1 0 441.270 5.374 1 0 IKAFRM O=C([O-])COc1cccc2c1CC[C@H](C/C=C\CC(c1ccccc1)c1ccccc1)C2 ZINC000026008278 563028355 /nfs/dbraw/zinc/02/83/55/563028355.db2.gz IKDDPURBOGWLMZ-RHVSLNNASA-N -1 0 426.556 6.423 1 0 IKAFRM CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCC(=O)[O-])c1ccccc1 ZINC000026006850 563028398 /nfs/dbraw/zinc/02/83/98/563028398.db2.gz RJIWGNBRTQFKBW-OAQYLSRUSA-N -1 0 440.499 5.246 1 0 IKAFRM O=C([O-])COc1cccc2c1CC[C@@H](C/C=C/CC(c1ccccc1)c1ccccc1)C2 ZINC000026014060 563028464 /nfs/dbraw/zinc/02/84/64/563028464.db2.gz IKDDPURBOGWLMZ-VQKOGROQSA-N -1 0 426.556 6.423 1 0 IKAFRM O=C([O-])COc1cccc2c1CC[C@H](CCCOC(c1ccccc1)c1ccccc1)C2 ZINC000026018940 563028695 /nfs/dbraw/zinc/02/86/95/563028695.db2.gz SZCIIKUEIKXODL-NRFANRHFSA-N -1 0 430.544 5.841 1 0 IKAFRM O=C([O-])C1(c2ccc3c(c2)OC[C@H](CCc2ccc(-c4ccccc4)cc2)[C@H]3O)CCCC1 ZINC000026393822 563031738 /nfs/dbraw/zinc/03/17/38/563031738.db2.gz QESHKSWPUARBSD-WNCULLNHSA-N -1 0 442.555 5.925 1 0 IKAFRM O=C([O-])CCCc1ccc(NC(=O)c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1 ZINC000026575757 563033622 /nfs/dbraw/zinc/03/36/22/563033622.db2.gz HCIBFZQCSJPVFL-UHFFFAOYSA-N -1 0 435.523 6.680 1 0 IKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccco2)nn1CC1CCCCC1 ZINC000026576470 563033729 /nfs/dbraw/zinc/03/37/29/563033729.db2.gz OMXHADIVPJZRGD-UHFFFAOYSA-N -1 0 442.899 5.395 1 0 IKAFRM CN(C)c1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026576920 563033860 /nfs/dbraw/zinc/03/38/60/563033860.db2.gz CHDQZRWPXLYAJV-UHFFFAOYSA-N -1 0 426.520 5.241 1 0 IKAFRM CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccccc3-c3ccccc3C(=O)[O-])ccc21 ZINC000026638274 563034305 /nfs/dbraw/zinc/03/43/05/563034305.db2.gz LBPOCEYOMXWZLT-UHFFFAOYSA-N -1 0 427.544 6.653 1 0 IKAFRM CCCCOc1c(-c2c[nH]c3ccc(/C(C)=C/C(=O)[O-])cc32)cc(C(C)C)cc1C(C)C ZINC000026658609 563034945 /nfs/dbraw/zinc/03/49/45/563034945.db2.gz XOYJNOXXJQMGGK-XDHOZWIPSA-N -1 0 433.592 7.749 1 0 IKAFRM CC[C@H](NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000026720524 563035643 /nfs/dbraw/zinc/03/56/43/563035643.db2.gz KNLUYROMSDLAAG-FQEVSTJZSA-N -1 0 446.931 5.161 1 0 IKAFRM CCCc1c(OCCCCCOc2ccccc2CCC(=O)[O-])ccc2c1CCCC2=O ZINC000026731373 563035959 /nfs/dbraw/zinc/03/59/59/563035959.db2.gz QOEQJBYKRHAKBD-UHFFFAOYSA-N -1 0 438.564 5.803 1 0 IKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1cc(-c3cccc(C(F)(F)F)c3)ccc1-2 ZINC000026837894 563037436 /nfs/dbraw/zinc/03/74/36/563037436.db2.gz KFKXLCBAOVEMGU-UHFFFAOYSA-N -1 0 437.392 6.524 1 0 IKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1cc(-c3ccc(C(F)(F)F)cc3)ccc1-2 ZINC000026846084 563037614 /nfs/dbraw/zinc/03/76/14/563037614.db2.gz LVLLJYHFBNTQMA-UHFFFAOYSA-N -1 0 437.392 6.524 1 0 IKAFRM CCCCCCC(C)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)[O-])C[C@@H]21 ZINC000026968425 563038318 /nfs/dbraw/zinc/03/83/18/563038318.db2.gz NAPXWHRSAVXKIB-NHCUHLMSSA-N -1 0 442.596 6.536 1 0 IKAFRM O=C([O-])C[C@@]1(O)C[C@@H](CCCCCCc2ccc(Cl)cc2-c2ccccc2)OC1=O ZINC000027108831 563039984 /nfs/dbraw/zinc/03/99/84/563039984.db2.gz BBCNSDDSCDFFEA-YKSBVNFPSA-N -1 0 430.928 5.021 1 0 IKAFRM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccc2ccccc2c1 ZINC000027188347 563040367 /nfs/dbraw/zinc/04/03/67/563040367.db2.gz XFEZYHAUMXJDJK-XRVZLLLRSA-N -1 0 433.507 5.064 1 0 IKAFRM O=C([O-])CCCCC(=O)Nc1cc(Cl)cc2c1Oc1cc(Cl)c(Cl)cc1O2 ZINC000027213372 563041053 /nfs/dbraw/zinc/04/10/53/563041053.db2.gz RBZCQYHCKYZQFJ-UHFFFAOYSA-N -1 0 430.671 6.128 1 0 IKAFRM C[C@H](CCCCCCCCCCCCc1ccc(I)cc1)C(=O)[O-] ZINC000027308870 563041327 /nfs/dbraw/zinc/04/13/27/563041327.db2.gz AQCWHQQTUBNSNU-GOSISDBHSA-N -1 0 444.397 6.846 1 0 IKAFRM CCCCCCC(=O)SC[C@H](CO[P@@](=O)([O-])OC)SC(=O)CCCCCC ZINC000027415779 563041979 /nfs/dbraw/zinc/04/19/79/563041979.db2.gz BCKTWAFKKLBAKX-INIZCTEOSA-N -1 0 442.580 5.579 1 0 IKAFRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](CC(=O)[O-])C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027520757 563042695 /nfs/dbraw/zinc/04/26/95/563042695.db2.gz GODXGULNSXIFDG-APNMAUFUSA-N -1 0 442.684 7.298 1 0 IKAFRM C[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1N1CCCCCCC1 ZINC000027559398 563044101 /nfs/dbraw/zinc/04/41/01/563044101.db2.gz YLWFCFZHKFLKJV-KRWDZBQOSA-N -1 0 428.960 5.229 1 0 IKAFRM C[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1N1CCCCCCCC1 ZINC000027561171 563044269 /nfs/dbraw/zinc/04/42/69/563044269.db2.gz GDWOYWOSBAJXJF-SFHVURJKSA-N -1 0 442.987 5.619 1 0 IKAFRM O=C([O-])c1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2N2CCCCC2)cc1 ZINC000027561749 563044312 /nfs/dbraw/zinc/04/43/12/563044312.db2.gz RYCVDLXQCQAALN-VWLOTQADSA-N -1 0 442.559 5.018 1 0 IKAFRM O=C([O-])c1cccc(C(CC(=O)c2cccc(Cl)c2)CC(=O)c2cccc(Cl)c2)c1 ZINC000027639687 563044984 /nfs/dbraw/zinc/04/49/84/563044984.db2.gz BJSMNVCYWDRWRS-UHFFFAOYSA-N -1 0 441.310 6.321 1 0 IKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccccc2Cl)CC(=O)c2ccccc2Cl)c1 ZINC000027642453 563045065 /nfs/dbraw/zinc/04/50/65/563045065.db2.gz KCWUOEQGPDSZIW-UHFFFAOYSA-N -1 0 441.310 6.321 1 0 IKAFRM CC(C)(Cc1ccc(F)cc1)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027757344 563046803 /nfs/dbraw/zinc/04/68/03/563046803.db2.gz BTQUYNSSMOAITN-LJSSFFLSSA-N -1 0 427.516 5.331 1 0 IKAFRM CC(C)(Cc1ccc(F)cc1)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027757334 563046870 /nfs/dbraw/zinc/04/68/70/563046870.db2.gz BTQUYNSSMOAITN-GFLRHQKQSA-N -1 0 427.516 5.331 1 0 IKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)CS[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846622 563047284 /nfs/dbraw/zinc/04/72/84/563047284.db2.gz GJUSKBLDPJHIIL-JTHBVZDNSA-N -1 0 441.593 5.994 1 0 IKAFRM COc1ccc2c(c1)c(CC[C@@H](C)C(=O)[O-])c(C)n2Cc1ccc(Br)cc1 ZINC000027849893 563047308 /nfs/dbraw/zinc/04/73/08/563047308.db2.gz SHQVLLYZMUMEPR-CQSZACIVSA-N -1 0 430.342 5.422 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028004449 563049390 /nfs/dbraw/zinc/04/93/90/563049390.db2.gz SCGSMSRTCYENTL-LLJDPABKSA-N -1 0 429.645 5.912 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028006613 563049473 /nfs/dbraw/zinc/04/94/73/563049473.db2.gz SCGSMSRTCYENTL-OXHCNGLLSA-N -1 0 429.645 5.912 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC(F)=C4C=C(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028017062 563049936 /nfs/dbraw/zinc/04/99/36/563049936.db2.gz WQOPICUBAMXBEL-HLUTZTHTSA-N -1 0 445.619 6.129 1 0 IKAFRM CC1=C2C=C(C(=O)[O-])CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3C(=O)N(C(C)C)C(C)C)[C@H]2C1 ZINC000028085652 563050242 /nfs/dbraw/zinc/05/02/42/563050242.db2.gz QSMQHWFDJPPRLO-YFAFITKQSA-N -1 0 441.656 6.222 1 0 IKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2/C=C/c2ccc(C)cc2)c1Br ZINC000028090273 563050307 /nfs/dbraw/zinc/05/03/07/563050307.db2.gz OQBDSYBMOYMTDC-BQYQJAHWSA-N -1 0 439.356 5.087 1 0 IKAFRM CCC(CC)(CC(=O)Nc1cccc(SCc2ccc3ccc(F)cc3n2)c1)C(=O)[O-] ZINC000028095020 563050398 /nfs/dbraw/zinc/05/03/98/563050398.db2.gz VFXGMPUTFGTYBV-UHFFFAOYSA-N -1 0 440.540 5.886 1 0 IKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000028097241 563050496 /nfs/dbraw/zinc/05/04/96/563050496.db2.gz NONOYDRCZAMJOK-UHFFFAOYSA-N -1 0 440.927 5.687 1 0 IKAFRM CC(C)Cc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)[O-])CC3)c(Cl)c1 ZINC000028122027 563051112 /nfs/dbraw/zinc/05/11/12/563051112.db2.gz LSWSHDRNBQEKKN-XMMPIXPASA-N -1 0 432.944 5.555 1 0 IKAFRM Cc1c(Cc2ccccc2)c2cc(S(=O)(=O)[O-])ccc2n1C(=O)c1ccc(Cl)cc1 ZINC000028126711 563051231 /nfs/dbraw/zinc/05/12/31/563051231.db2.gz GFDISTFVFRTPAG-UHFFFAOYSA-N -1 0 439.920 5.129 1 0 IKAFRM COc1ccc2c(c1)c(Cc1ccccc1C(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028346240 563053054 /nfs/dbraw/zinc/05/30/54/563053054.db2.gz RSIJFBWODLEWFF-UHFFFAOYSA-N -1 0 433.891 5.589 1 0 IKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(OC3CCCCC3)cc2)C2CCCCC2)s1 ZINC000028353404 563053317 /nfs/dbraw/zinc/05/33/17/563053317.db2.gz JEUHWVRGTXAAGE-UHFFFAOYSA-N -1 0 428.554 5.532 1 0 IKAFRM CC(C)c1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000028362370 563053538 /nfs/dbraw/zinc/05/35/38/563053538.db2.gz CHAJNQDBLZUFJB-ITWZMISCSA-N -1 0 437.511 5.142 1 0 IKAFRM CCCCOc1ccc(C(=O)n2c(C)c(CCCCC(=O)[O-])c3cc(OC)ccc32)cc1 ZINC000028376304 563053949 /nfs/dbraw/zinc/05/39/49/563053949.db2.gz JDNVFYCHZVXLHI-UHFFFAOYSA-N -1 0 437.536 5.623 1 0 IKAFRM COc1ccc2c(-c3c(Cl)cc(NC(=O)CC(=O)[O-])cc3Cl)cccc2c1C(C)C ZINC000028526439 563056948 /nfs/dbraw/zinc/05/69/48/563056948.db2.gz ZJBJLVZJXUYGMP-UHFFFAOYSA-N -1 0 446.330 6.359 1 0 IKAFRM CC(C)c1cccc(-n2c3ccccc3c(Oc3ccc(C(F)(F)F)cc3)c2C(=O)[O-])c1 ZINC000028528389 563057171 /nfs/dbraw/zinc/05/71/71/563057171.db2.gz LLUMFTWRNPIZJA-UHFFFAOYSA-N -1 0 439.433 7.263 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc5c(c4)OCC5)oc3C)ccc21 ZINC000028563593 563057723 /nfs/dbraw/zinc/05/77/23/563057723.db2.gz LKYMFRWHOPVHEU-JTHBVZDNSA-N -1 0 447.531 5.347 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(Cc4ccc(F)cc4)oc3C)ccc21 ZINC000028565381 563057959 /nfs/dbraw/zinc/05/79/59/563057959.db2.gz DEEPBHHDSMSJBI-GMAHTHKFSA-N -1 0 437.511 5.475 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(F)c(C)c4)oc3C)ccc21 ZINC000028565583 563058032 /nfs/dbraw/zinc/05/80/32/563058032.db2.gz MVOMVGIFONCQFN-RBBKRZOGSA-N -1 0 437.511 5.860 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(F)c(C)c4)oc3C)ccc21 ZINC000028565581 563058037 /nfs/dbraw/zinc/05/80/37/563058037.db2.gz MVOMVGIFONCQFN-IRLDBZIGSA-N -1 0 437.511 5.860 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)ccc21 ZINC000028565557 563058051 /nfs/dbraw/zinc/05/80/51/563058051.db2.gz SRMBBYQQDWHGEA-UNMCSNQZSA-N -1 0 439.939 6.066 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(OC)cc4)oc3C)ccc21 ZINC000028565718 563058119 /nfs/dbraw/zinc/05/81/19/563058119.db2.gz QRAPSYCJHNENAL-GMAHTHKFSA-N -1 0 435.520 5.421 1 0 IKAFRM CCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4[C@H](CC)C(=O)[O-])c(C)o2)cc1 ZINC000028565787 563058143 /nfs/dbraw/zinc/05/81/43/563058143.db2.gz HUYAIOIUSQXLBC-UPVQGACJSA-N -1 0 433.548 5.975 1 0 IKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)C1C(=O)OC/C=C/C1CCCCC1 ZINC000028568453 563058552 /nfs/dbraw/zinc/05/85/52/563058552.db2.gz DYBBMMOPAKAFPA-QDWUDRRGSA-N -1 0 429.944 6.179 1 0 IKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(Cl)c2)C1C(=O)OC/C=C/C1CCCCC1 ZINC000028568454 563058560 /nfs/dbraw/zinc/05/85/60/563058560.db2.gz DYBBMMOPAKAFPA-SEQIXAESSA-N -1 0 429.944 6.179 1 0 IKAFRM CCO[C@H](Cc1ccc(OCCCOc2ccc(-c3ccc(F)cc3)cc2)cc1)C(=O)[O-] ZINC000028569097 563058606 /nfs/dbraw/zinc/05/86/06/563058606.db2.gz WLUVTHYNVFLJNW-RUZDIDTESA-N -1 0 438.495 5.373 1 0 IKAFRM CCO[C@@H](Cc1ccc(OCCCOc2ccc(-c3ccc(CC)cc3)cc2)cc1)C(=O)[O-] ZINC000028569514 563058925 /nfs/dbraw/zinc/05/89/25/563058925.db2.gz QDKRFNXVEMKULX-MHZLTWQESA-N -1 0 448.559 5.796 1 0 IKAFRM CC[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704699 563061893 /nfs/dbraw/zinc/06/18/93/563061893.db2.gz KSCZMOSACZKJJW-OAHLLOKOSA-N -1 0 428.472 5.675 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028759602 563063555 /nfs/dbraw/zinc/06/35/55/563063555.db2.gz JDAULUKGZUDSNK-STCUNNHWSA-N -1 0 427.629 5.832 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3C=CC4=CC(C(=O)[O-])=CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028759567 563063591 /nfs/dbraw/zinc/06/35/91/563063591.db2.gz YNWNNHNPVXWHLN-HPNOHPCFSA-N -1 0 425.613 5.608 1 0 IKAFRM CC(C)N(C(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(C(=O)[O-])=CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000028759836 563063603 /nfs/dbraw/zinc/06/36/03/563063603.db2.gz LGKMEHLZMDCMTK-JBUKQTOJSA-N -1 0 425.613 5.752 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C=C(C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028760059 563063734 /nfs/dbraw/zinc/06/37/34/563063734.db2.gz 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ZINC000028952178 563069747 /nfs/dbraw/zinc/06/97/47/563069747.db2.gz OQUDOBWBBXQFHB-UHFFFAOYSA-N -1 0 449.469 5.612 1 0 IKAFRM Cc1cc2c(cc1-c1cc(/C=C/C(=O)[O-])ccc1OC(F)(F)F)N(C)C(=O)CC2(C)C ZINC000028952493 563069762 /nfs/dbraw/zinc/06/97/62/563069762.db2.gz OFANDPMVUOFJJR-SOFGYWHQSA-N -1 0 433.426 5.303 1 0 IKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3ccc(Cl)cc3)cc2-c2ccc(C)cc2)cc1 ZINC000028962615 563070786 /nfs/dbraw/zinc/07/07/86/563070786.db2.gz PDPZAOPHCYXURU-XMMPIXPASA-N -1 0 446.934 5.921 1 0 IKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3cccc(C)c3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962584 563070839 /nfs/dbraw/zinc/07/08/39/563070839.db2.gz DJVUWBWAGOLUIF-XMMPIXPASA-N -1 0 446.934 5.921 1 0 IKAFRM CCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971918 563071285 /nfs/dbraw/zinc/07/12/85/563071285.db2.gz MVLSUCQUVLPYIB-OAQYLSRUSA-N -1 0 440.609 5.787 1 0 IKAFRM O=C([N-][C@H]1CCCN2c3c(Cl)c(Cl)ccc3Oc3ccccc3[C@H]12)C(F)(F)F ZINC000029037489 563071597 /nfs/dbraw/zinc/07/15/97/563071597.db2.gz LWOJZQHUYYVVPD-BLLLJJGKSA-N -1 0 431.241 5.488 1 0 IKAFRM CC(C)=CCC/C(=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)C(=O)[O-] ZINC000029052890 563073216 /nfs/dbraw/zinc/07/32/16/563073216.db2.gz ASCPFLQSHKBTRD-FWXQPYBBSA-N -1 0 426.597 7.159 1 0 IKAFRM Cc1ccc(-c2nsc(COc3ccc(OC(C)(C)C(=O)[O-])c(C)c3)n2)cc1Cl ZINC000029059206 563073588 /nfs/dbraw/zinc/07/35/88/563073588.db2.gz UXEPVZPDCHIGDL-UHFFFAOYSA-N -1 0 432.929 5.296 1 0 IKAFRM CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(C(=O)[O-])cc1 ZINC000029063068 563073746 /nfs/dbraw/zinc/07/37/46/563073746.db2.gz ITAZALHTZBIKDO-UHFFFAOYSA-N -1 0 445.902 5.661 1 0 in-vitro IKAFRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1)c1ccccc1 ZINC000029220505 563076810 /nfs/dbraw/zinc/07/68/10/563076810.db2.gz ALOXZPZTHQFHLR-VWLOTQADSA-N -1 0 441.914 6.230 1 0 IKAFRM O=C([O-])c1cc(F)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12 ZINC000029231982 563076998 /nfs/dbraw/zinc/07/69/98/563076998.db2.gz 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CCCCC1=N[C@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029411638 563079936 /nfs/dbraw/zinc/07/99/36/563079936.db2.gz RWVKKWCBMHVENT-MUUNZHRXSA-N -1 0 446.591 6.322 1 0 IKAFRM CCCCC1=N[C@](C)(C2CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029411756 563079953 /nfs/dbraw/zinc/07/99/53/563079953.db2.gz LEYVDZDSQQWKII-HHHXNRCGSA-N -1 0 432.564 5.932 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=C/C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000029465030 563080260 /nfs/dbraw/zinc/08/02/60/563080260.db2.gz MPQBNNZVAZNECG-QOURUSKBSA-N -1 0 441.656 6.222 1 0 IKAFRM COc1ccccc1-c1cccc2c(-c3nc4ccc(F)cc4c(C(=O)[O-])c3C)cn(C)c21 ZINC000029465391 563080267 /nfs/dbraw/zinc/08/02/67/563080267.db2.gz RQGWGGPCNFVKSM-UHFFFAOYSA-N -1 0 440.474 6.215 1 0 IKAFRM 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=CC[C@]43C)[C@H]2C1 ZINC000029548565 563081864 /nfs/dbraw/zinc/08/18/64/563081864.db2.gz QUWBANZMJKHMKL-LBLVNCIISA-N -1 0 438.696 8.039 1 0 IKAFRM CCc1onc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1cccc(OC)c1 ZINC000029550466 563081956 /nfs/dbraw/zinc/08/19/56/563081956.db2.gz GBVIDTUQWWLRHG-UHFFFAOYSA-N -1 0 446.594 5.495 1 0 IKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000034131052 563085624 /nfs/dbraw/zinc/08/56/24/563085624.db2.gz SHPJCMOHFSYGLX-DQEYMECFSA-N -1 0 447.556 5.191 3 0 IKAFRM Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000034297505 563086048 /nfs/dbraw/zinc/08/60/48/563086048.db2.gz OSSJMBVEKCHVPM-RUZDIDTESA-N -1 0 425.528 6.236 1 0 IKAFRM CCc1ccc(-c2ccc(C(=O)N3CCc4c(c5ccccc5n4CC(=O)[O-])C3)cc2)cc1 ZINC000034630908 563086603 /nfs/dbraw/zinc/08/66/03/563086603.db2.gz PJEVQOJEJXZQAR-UHFFFAOYSA-N -1 0 438.527 5.154 1 0 IKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CO[C@@H]1CCCN(c2cccc(C(=O)[O-])c2)C1 ZINC000034631011 563086606 /nfs/dbraw/zinc/08/66/06/563086606.db2.gz POVWNJCKOJFNDM-HXUWFJFHSA-N -1 0 442.968 5.656 1 0 IKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCNc1ccc(CC(=O)[O-])cc1 ZINC000034717664 563086953 /nfs/dbraw/zinc/08/69/53/563086953.db2.gz SUSIJEPKDLCOFC-UHFFFAOYSA-N -1 0 436.430 5.307 1 0 IKAFRM CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3cccc(Cl)c3)oc2C)c1)C(=O)[O-] ZINC000034717690 563086962 /nfs/dbraw/zinc/08/69/62/563086962.db2.gz HMMQETYZLNQVSF-JOCHJYFZSA-N -1 0 438.911 5.339 1 0 IKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc(CC(=O)[O-])cc1 ZINC000034717666 563087007 /nfs/dbraw/zinc/08/70/07/563087007.db2.gz SYPXZIFSIJUYCS-UHFFFAOYSA-N -1 0 437.414 5.274 1 0 IKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCCCC1 ZINC000034817578 563087961 /nfs/dbraw/zinc/08/79/61/563087961.db2.gz PDWJODSDNBTHDY-UHFFFAOYSA-N -1 0 440.543 6.876 1 0 IKAFRM CCn1c2ccccc2c2cc(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)ccc21 ZINC000035064583 563089181 /nfs/dbraw/zinc/08/91/81/563089181.db2.gz LVVOXAOMQMRXFR-UHFFFAOYSA-N -1 0 444.940 5.286 1 0 IKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cccc(Cl)c3)c2c1 ZINC000035079462 563089238 /nfs/dbraw/zinc/08/92/38/563089238.db2.gz RJDWBKYQCSYQOY-LBPRGKRZSA-N -1 0 448.327 5.526 1 0 IKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cccc(F)c3)c2c1 ZINC000035079414 563089252 /nfs/dbraw/zinc/08/92/52/563089252.db2.gz FJIXDWRFKRLNIH-LBPRGKRZSA-N -1 0 431.872 5.012 1 0 IKAFRM Cc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3ccc([C@@H](C)C(=O)[O-])cc32)cc1 ZINC000035079408 563089262 /nfs/dbraw/zinc/08/92/62/563089262.db2.gz BUHSVFACBDQDIV-CQSZACIVSA-N -1 0 427.909 5.181 1 0 IKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cccc(Cl)c3)c2c1 ZINC000035079463 563089263 /nfs/dbraw/zinc/08/92/63/563089263.db2.gz RJDWBKYQCSYQOY-GFCCVEGCSA-N -1 0 448.327 5.526 1 0 IKAFRM Cc1cccc(-c2cc(Cl)ccc2OCc2ccccc2)c1-c1cccc(C(=O)[O-])c1 ZINC000035801645 563090010 /nfs/dbraw/zinc/09/00/10/563090010.db2.gz GMELHBQJUWFUBS-UHFFFAOYSA-N -1 0 428.915 7.260 1 0 IKAFRM CC(C)Cc1cc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)[O-])cc2)c1-c1ccccc1 ZINC000035861646 563090154 /nfs/dbraw/zinc/09/01/54/563090154.db2.gz MMFRVJDOHBKSPA-XNTDXEJSSA-N -1 0 438.523 7.301 1 0 in-vitro IKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(-c2ccccc2)c1 ZINC000036160147 563091502 /nfs/dbraw/zinc/09/15/02/563091502.db2.gz VPOFGSXFQMDGLT-LOSJGSFVSA-N -1 0 437.580 5.063 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC000036175993 563091508 /nfs/dbraw/zinc/09/15/08/563091508.db2.gz JVCNVAREAJSFCC-HSZRJFAPSA-N -1 0 449.938 5.517 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(CC)c1 ZINC000036175977 563091522 /nfs/dbraw/zinc/09/15/22/563091522.db2.gz SWLVEYCAYXPYDG-RUZDIDTESA-N -1 0 443.547 5.426 1 0 IKAFRM CC[S@@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@H](CC(=O)[O-])CCC3 ZINC000036190366 563092060 /nfs/dbraw/zinc/09/20/60/563092060.db2.gz NYLVSUCBUNGUPZ-OFJJUDJNSA-N -1 0 429.969 5.365 1 0 IKAFRM CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)[O-])c(C)c1 ZINC000036757865 563095768 /nfs/dbraw/zinc/09/57/68/563095768.db2.gz ZWGYVQRLTOKJCI-UHFFFAOYSA-N -1 0 426.431 5.278 1 0 IKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCN(C)c1ccc(C(=O)[O-])cc1 ZINC000038157665 563096879 /nfs/dbraw/zinc/09/68/79/563096879.db2.gz PNGBFYGVOOVAIY-UHFFFAOYSA-N -1 0 436.430 5.403 1 0 IKAFRM O=C([O-])[C@H](Oc1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242693 563098996 /nfs/dbraw/zinc/09/89/96/563098996.db2.gz NEYHIKLUALWBIB-RUZDIDTESA-N -1 0 446.886 7.129 1 0 IKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(OCc3ccccc3)c(OCc3ccccc3)c21 ZINC000040404620 563101195 /nfs/dbraw/zinc/10/11/95/563101195.db2.gz ZYHVDZDSBJAPHS-UHFFFAOYSA-N -1 0 447.462 5.017 1 0 IKAFRM CC(C)c1cc2c(cc1OCCCc1ccccc1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040429432 563103304 /nfs/dbraw/zinc/10/33/04/563103304.db2.gz FMNVYASZMABARY-CRXYYGHGSA-N -1 0 434.620 6.917 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040525602 563104322 /nfs/dbraw/zinc/10/43/22/563104322.db2.gz SCGSMSRTCYENTL-GLIZXOTBSA-N -1 0 429.645 5.912 1 0 IKAFRM CC(/C=C/C(=O)N(Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=C\C(=O)[O-] ZINC000040556762 563104606 /nfs/dbraw/zinc/10/46/06/563104606.db2.gz FEAGKPYJRYDYCG-KIXDWZFYSA-N -1 0 433.592 6.402 1 0 IKAFRM O=S(=O)(CCC(F)(F)C(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[n-]1 ZINC000040632337 563105640 /nfs/dbraw/zinc/10/56/40/563105640.db2.gz KBXLDHXJUOHPRJ-UHFFFAOYSA-N -1 0 430.398 5.105 1 0 IKAFRM Cn1cc([C@H](C(=O)Nc2ccc3ccccc3c2)[P@](C)(=O)[O-])c2cc(Cl)ccc21 ZINC000040753182 563106268 /nfs/dbraw/zinc/10/62/68/563106268.db2.gz DUKXGYAXMZVWHC-OAQYLSRUSA-N -1 0 426.840 5.565 1 0 IKAFRM O=C([O-])c1cccc(-n2c(Cl)ccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000040763220 563106425 /nfs/dbraw/zinc/10/64/25/563106425.db2.gz NPRLFJODKAZGAY-UHFFFAOYSA-N -1 0 438.310 6.728 1 0 IKAFRM Cc1cccc(Nc2cc(Cl)nc(S[C@@H](C(=O)[O-])c3cccc4ccccc43)n2)c1C ZINC000040847275 563107595 /nfs/dbraw/zinc/10/75/95/563107595.db2.gz KSKMNZFKRMRMDJ-JOCHJYFZSA-N -1 0 449.963 6.562 1 0 IKAFRM COc1ccccc1Nc1cc2c(c(N)c1C(C)C)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)[O-])C2 ZINC000040861185 563108087 /nfs/dbraw/zinc/10/80/87/563108087.db2.gz ONUQDPXLIJERKG-GDKKVTFASA-N -1 0 436.596 6.140 1 0 IKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)[O-] ZINC000040862142 563108193 /nfs/dbraw/zinc/10/81/93/563108193.db2.gz UBZJCDDNXHNSNF-QGZVFWFLSA-N -1 0 431.945 5.986 1 0 IKAFRM C[C@@H](c1cc(-c2ccc3cc(C(=O)[O-])ccc3c2)ccc1O)C12CC3CC(CC(C3)C1)C2 ZINC000040863743 563108546 /nfs/dbraw/zinc/10/85/46/563108546.db2.gz FHDINSATAFKMNP-RNICHOSVSA-N -1 0 426.556 7.231 1 0 IKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)[O-] ZINC000040863716 563108566 /nfs/dbraw/zinc/10/85/66/563108566.db2.gz DLURBYNSENSGOL-KRWDZBQOSA-N -1 0 430.961 5.938 1 0 IKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)[O-] ZINC000040863718 563108572 /nfs/dbraw/zinc/10/85/72/563108572.db2.gz DLURBYNSENSGOL-QGZVFWFLSA-N -1 0 430.961 5.938 1 0 IKAFRM C/C(=C\CCC1=C[C@@H](O)OC1=O)CC/C=C(\C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000040878869 563109647 /nfs/dbraw/zinc/10/96/47/563109647.db2.gz FIOHAOSLSHPVIU-MINGWGTDSA-N -1 0 430.541 5.320 1 0 IKAFRM C/C(=C\CCC1=C[C@H](O)OC1=O)CC/C=C(\C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000040878865 563109683 /nfs/dbraw/zinc/10/96/83/563109683.db2.gz FIOHAOSLSHPVIU-FEGYXEQDSA-N -1 0 430.541 5.320 1 0 IKAFRM Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C[P@@](=O)([O-])c2ccccc2)cc1 ZINC000040894672 563110320 /nfs/dbraw/zinc/11/03/20/563110320.db2.gz IPWXMLMEBMYQEH-UHFFFAOYSA-N -1 0 448.484 5.346 1 0 IKAFRM CC(/C=C/C1=C(Cc2ccc3ccccc3c2)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000040918839 563111946 /nfs/dbraw/zinc/11/19/46/563111946.db2.gz CEFFCNQTELXXKZ-SGILRLPHSA-N -1 0 426.600 7.979 1 0 IKAFRM CCCCc1cc2ccccc2c(Oc2ccc(/C=C/C(=O)[O-])cc2)c1-c1ccc(O)cc1 ZINC000040950148 563113782 /nfs/dbraw/zinc/11/37/82/563113782.db2.gz TVYDNXHHJPRCGC-WOJGMQOQSA-N -1 0 438.523 7.445 1 0 in-vitro IKAFRM CC(C)c1cc2c(cc1OCc1ccc(Cl)cc1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040954285 563114492 /nfs/dbraw/zinc/11/44/92/563114492.db2.gz FJJQORNJBQDNQF-ZRJLEYOISA-N -1 0 441.011 7.137 1 0 IKAFRM COc1ccc(Br)cc1[C@H]1Sc2ccc(C(F)(F)F)cc2[N-]C1=S ZINC000040973933 563115139 /nfs/dbraw/zinc/11/51/39/563115139.db2.gz YGPQCRWCIQYNAL-CQSZACIVSA-N -1 0 434.302 6.063 1 0 IKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1cccc(-c2ccccc2)c1 ZINC000043013055 563116618 /nfs/dbraw/zinc/11/66/18/563116618.db2.gz LNZSGSMSZGHDSE-UHFFFAOYSA-N -1 0 448.594 6.493 1 0 IKAFRM COc1ccc(S(=O)(=O)[N-]c2scc(C)c2-c2nc3ccccc3s2)cc1OC ZINC000043022970 563117259 /nfs/dbraw/zinc/11/72/59/563117259.db2.gz ZWWBIKROGOOOOG-UHFFFAOYSA-N -1 0 446.575 5.151 1 0 IKAFRM Cc1cc(O)c(C23CC4CC(CC(C4)C2)C3)cc1-c1ccc2cc(C(=O)[O-])ccc2c1Cl ZINC000043061520 563117696 /nfs/dbraw/zinc/11/76/96/563117696.db2.gz SYUOCBXUKIKKCJ-UHFFFAOYSA-N -1 0 446.974 7.340 1 0 IKAFRM COc1ccc(-c2ccccc2Cc2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)cc1 ZINC000043101541 563118684 /nfs/dbraw/zinc/11/86/84/563118684.db2.gz INCUMSMAXDFYHJ-UHFFFAOYSA-N -1 0 433.504 5.843 1 0 IKAFRM Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1-c1nc2ccccc2s1 ZINC000043119691 563118762 /nfs/dbraw/zinc/11/87/62/563118762.db2.gz RDNCCXHSIJUBKB-UHFFFAOYSA-N -1 0 434.995 6.096 1 0 IKAFRM CCc1c(/C=C\c2cc(C(F)(F)F)nc3ccc(C(F)(F)F)cc23)onc1C(=O)[O-] ZINC000045245078 563126397 /nfs/dbraw/zinc/12/63/97/563126397.db2.gz HCXHTWHZDQFQNP-UTCJRWHESA-N -1 0 430.304 5.691 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000045259849 563127667 /nfs/dbraw/zinc/12/76/67/563127667.db2.gz IPHMACNTNTZLSQ-DEUVCDPESA-N -1 0 431.661 5.992 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(C(=O)[O-])=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000045287550 563128460 /nfs/dbraw/zinc/12/84/60/563128460.db2.gz WPJFWHNYOCVIES-FFCNZZPFSA-N -1 0 429.645 5.912 1 0 IKAFRM O=C([O-])Cc1sc(Cc2ccccc2Oc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000045337196 563131600 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Cc1oc(-c2cccc(F)c2)nc1Cc1cc2cc(C[C@H]3SC(=O)[N-]C3=O)ccc2o1 ZINC000001483010 562922175 /nfs/dbraw/zinc/92/21/75/562922175.db2.gz BSJQIHBZFIPLKL-HXUWFJFHSA-N -1 0 436.464 5.020 1 0 IKAFRM O=C([O-])c1ccc(C=C2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)c(F)c1 ZINC000001553091 562922950 /nfs/dbraw/zinc/92/29/50/562922950.db2.gz MTOISCVLJDZFOJ-UHFFFAOYSA-N -1 0 441.587 6.307 1 0 IKAFRM O=C([O-])CCS[C@H](C[C@]1(c2ccc(Cl)cc2)NC(=O)CCS1)c1ccccc1 ZINC000001655278 562924058 /nfs/dbraw/zinc/92/40/58/562924058.db2.gz IERRFVNPGRBDLP-NQIIRXRSSA-N -1 0 435.998 5.085 1 0 IKAFRM CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCC(=O)[O-])c1ccccc1 ZINC000001894648 562925293 /nfs/dbraw/zinc/92/52/93/562925293.db2.gz RJIWGNBRTQFKBW-NRFANRHFSA-N -1 0 440.499 5.246 1 0 in-vitro IKAFRM O=C([O-])[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)CS[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000003639534 562937129 /nfs/dbraw/zinc/93/71/29/562937129.db2.gz LONJDBQLSLSMKJ-ZCYQVOJMSA-N -1 0 442.540 5.105 1 0 IKAFRM O=C([O-])[C@@H](Cc1cc2ccccc2[nH]1)N1C(=O)CS[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000003639539 562937215 /nfs/dbraw/zinc/93/72/15/562937215.db2.gz LONJDBQLSLSMKJ-ILBGXUMGSA-N -1 0 442.540 5.105 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000003797689 562938123 /nfs/dbraw/zinc/93/81/23/562938123.db2.gz ODRHDMOJZQZENN-QHCPKHFHSA-N -1 0 449.938 5.517 1 0 IKAFRM O=C([O-])c1cncc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccccc3)CCC2)c1 ZINC000003818377 562938703 /nfs/dbraw/zinc/93/87/03/562938703.db2.gz HXDNFPGYTGXCFT-UHFFFAOYSA-N -1 0 439.433 6.472 1 0 IKAFRM CC[C@@H](OC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000003988398 562940509 /nfs/dbraw/zinc/94/05/09/562940509.db2.gz IMZLMODVPJWIKO-ORAYPTAESA-N -1 0 447.959 6.645 1 0 IKAFRM O=C(Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2)c1ccccc1Cl ZINC000008680126 562961413 /nfs/dbraw/zinc/96/14/13/562961413.db2.gz KQSKZCVAGGGWGX-UHFFFAOYSA-N -1 0 426.255 5.725 3 0 aggregator IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2C)cc1 ZINC000011687668 562979067 /nfs/dbraw/zinc/97/90/67/562979067.db2.gz LVMONIJOVGXDFX-XMMPIXPASA-N -1 0 429.520 5.172 1 0 IKAFRM O=C([O-])c1cc(OCCc2cccs2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000012358145 562981505 /nfs/dbraw/zinc/98/15/05/562981505.db2.gz VBJDTFMKZNAHSC-UHFFFAOYSA-N -1 0 436.316 5.627 1 0 IKAFRM CCCc1c2occ(CC)c2ccc1OCCCSc1ccc(CC(=O)[O-])cc1Cl ZINC000012358261 562981652 /nfs/dbraw/zinc/98/16/52/562981652.db2.gz BUVKCKNQUOBUGZ-UHFFFAOYSA-N -1 0 446.996 6.789 1 0 IKAFRM CC(C)(C)CCCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O ZINC000012358373 562981657 /nfs/dbraw/zinc/98/16/57/562981657.db2.gz AOUVEUHNGDWKMB-QHCPKHFHSA-N -1 0 439.552 5.093 1 0 IKAFRM CCCc1cc2c(=O)n(C)oc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358589 562981776 /nfs/dbraw/zinc/98/17/76/562981776.db2.gz RYNHNIDEKCRWHJ-QFIPXVFZSA-N -1 0 425.525 5.365 1 0 in-vitro IKAFRM CCCc1cc2c(oc(=O)n2CC)c(CCC)c1O[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000012358596 562981789 /nfs/dbraw/zinc/98/17/89/562981789.db2.gz MRDSYNWVYIQSFB-FQEVSTJZSA-N -1 0 431.916 5.378 1 0 IKAFRM C/C=C(\C)c1cc(O)c(C)c(O)c1C(=O)Oc1cc(/C(C)=C/C)c(C(=O)[O-])c(O)c1C ZINC000013309245 562985708 /nfs/dbraw/zinc/98/57/08/562985708.db2.gz LFTHRDXERPBJOF-MKICQXMISA-N -1 0 426.465 5.184 1 0 IKAFRM COC(=O)/C(C)=C/CC/C(=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1)C(=O)[O-] ZINC000013434622 562986007 /nfs/dbraw/zinc/98/60/07/562986007.db2.gz CTCIQHXSVBRPQY-STZPRAENSA-N -1 0 428.569 6.576 1 0 IKAFRM CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cccc2ccccc21 ZINC000013447083 562987035 /nfs/dbraw/zinc/98/70/35/562987035.db2.gz YPCMAANEQQZGBR-HSZRJFAPSA-N -1 0 440.584 5.012 1 0 IKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000013470801 562987798 /nfs/dbraw/zinc/98/77/98/562987798.db2.gz ZTQRBAXWQCKICK-MHZLTWQESA-N -1 0 449.550 5.223 3 0 IKAFRM COC(=O)c1cccc(-c2ccc(NCc3ccc([S-])cc3)cc2-c2ccccc2)c1 ZINC000013471858 562987873 /nfs/dbraw/zinc/98/78/73/562987873.db2.gz OTRFJTNHWAVKDD-UHFFFAOYSA-N -1 0 425.553 6.708 1 0 IKAFRM CCCCSC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473450 562988308 /nfs/dbraw/zinc/98/83/08/562988308.db2.gz LGPIQVXAGIMWNU-QFIPXVFZSA-N -1 0 442.533 5.665 1 0 IKAFRM CC(C)Oc1ccc2c(c1)C(c1ccc(F)cc1)=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2 ZINC000013473487 562988394 /nfs/dbraw/zinc/98/83/94/562988394.db2.gz RTGYNTLMGYMEDM-VWLOTQADSA-N -1 0 448.446 5.362 1 0 IKAFRM O=C([O-])Cc1ccc(C=C2CCN(C(=O)C(C3CCCCC3)C3CCCCC3)CC2)cc1 ZINC000013475215 562988855 /nfs/dbraw/zinc/98/88/55/562988855.db2.gz RLNXARYLXFKDFD-UHFFFAOYSA-N -1 0 437.624 6.096 1 0 IKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCOc1cccc(CC(=O)[O-])c1 ZINC000013488256 562989637 /nfs/dbraw/zinc/98/96/37/562989637.db2.gz ZJUYZSAJCQSEPU-UHFFFAOYSA-N -1 0 445.515 5.922 1 0 IKAFRM CC1(C)OC(=S)[N-]c2ccc(-c3cc(Br)cc(OC(F)(F)F)c3)cc21 ZINC000013488861 562989804 /nfs/dbraw/zinc/98/98/04/562989804.db2.gz FXVPGONKQHRTRT-UHFFFAOYSA-N -1 0 432.261 5.977 1 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000013489480 562989867 /nfs/dbraw/zinc/98/98/67/562989867.db2.gz ZTIYSYNCRVTRHM-UHFFFAOYSA-N -1 0 437.439 5.733 1 0 IKAFRM CCCCc1nc(Cl)c(COC)n1Cc1cccc(C(=O)c2ccccc2C(=O)[O-])c1 ZINC000013493329 562990865 /nfs/dbraw/zinc/99/08/65/562990865.db2.gz ZEDGPFWRZWWXPQ-UHFFFAOYSA-N -1 0 440.927 5.003 1 0 IKAFRM CCc1cc(-c2ccsc2/C=C/C(C)=C/C(=O)[O-])c(OCC(F)F)c(C(C)(C)C)c1 ZINC000013527134 562991818 /nfs/dbraw/zinc/99/18/18/562991818.db2.gz SXJBYONOKQVXIJ-XHBXSBNISA-N -1 0 434.548 6.963 1 0 IKAFRM CC(=C\C(=O)[O-])/C=C(F)/C=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F ZINC000013539338 562992616 /nfs/dbraw/zinc/99/26/16/562992616.db2.gz HHVLEXNKNICHEL-CBDUVFOUSA-N -1 0 438.530 7.213 1 0 IKAFRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013557921 562993455 /nfs/dbraw/zinc/99/34/55/562993455.db2.gz GIKOGNKOOHAMDV-UHFFFAOYSA-N -1 0 446.503 5.196 1 0 IKAFRM 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=CC[C@]43C)[C@@H]2C1 ZINC000013558240 562993601 /nfs/dbraw/zinc/99/36/01/562993601.db2.gz QUWBANZMJKHMKL-CDNBJWEZSA-N -1 0 438.696 8.039 1 0 IKAFRM O=c1cc(-c2ccccc2)oc2c(Cc3ccccc3)c([O-])c(Cc3ccccc3)c(O)c12 ZINC000013558405 562993611 /nfs/dbraw/zinc/99/36/11/562993611.db2.gz HNIGGLXVHQTWRB-UHFFFAOYSA-N -1 0 434.491 6.053 1 0 IKAFRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(cccc3COc3cccc(Cl)c3)c2)cc1 ZINC000013560098 562994105 /nfs/dbraw/zinc/99/41/05/562994105.db2.gz DADLQQSQNPDMSN-UHFFFAOYSA-N -1 0 431.875 6.023 1 0 IKAFRM CCCOc1cc2c(cc1[C@H]1CCCc3oc(/C=C/C(=O)[O-])cc31)C(C)(C)CCC2(C)C ZINC000013560360 562994157 /nfs/dbraw/zinc/99/41/57/562994157.db2.gz CWCPUIFVSMQHCH-VYENPZKTSA-N -1 0 436.592 6.983 1 0 IKAFRM CCCOc1cc2c(cc1[C@@H]1CCCc3oc(/C=C/C(=O)[O-])cc31)C(C)(C)CCC2(C)C ZINC000013560359 562994163 /nfs/dbraw/zinc/99/41/63/562994163.db2.gz CWCPUIFVSMQHCH-GNISGLHKSA-N -1 0 436.592 6.983 1 0 IKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)Nc1ccccc1[C@@H](c1ccc(C(=O)[O-])cc1)N3 ZINC000013651739 562999292 /nfs/dbraw/zinc/99/92/92/562999292.db2.gz SLCMRZCTMPSNQW-RUZDIDTESA-N -1 0 426.560 6.992 1 0 IKAFRM CC(C)(C)c1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c([O-])c21 ZINC000013680071 563000871 /nfs/dbraw/zinc/00/08/71/563000871.db2.gz CWGAZNHTIHKZLF-UHFFFAOYSA-N -1 0 425.937 6.705 1 0 IKAFRM O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3cc4ccccc4cc31)c1ccccc1CO2 ZINC000013727054 563001376 /nfs/dbraw/zinc/00/13/76/563001376.db2.gz NUQOOLACTABIMT-FOKLQQMPSA-N -1 0 432.479 5.912 1 0 IKAFRM O=C([O-])CCCOc1cccc(/C=C/c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013727332 563001398 /nfs/dbraw/zinc/00/13/98/563001398.db2.gz WTGGLEAYMMTLBK-WUKNDPDISA-N -1 0 425.484 6.423 1 0 IKAFRM O=C([O-])c1ccc2c(c1)[C@@H](SCCNC(=O)OCc1ccccc1)c1ccccc1CO2 ZINC000013727039 563001402 /nfs/dbraw/zinc/00/14/02/563001402.db2.gz ROQJMYLEOSBAKX-QHCPKHFHSA-N -1 0 449.528 5.026 1 0 IKAFRM O=C([O-])CCCOc1ccccc1/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013727347 563001454 /nfs/dbraw/zinc/00/14/54/563001454.db2.gz GRFVXULFNDXQHR-ISLYRVAYSA-N -1 0 425.484 6.423 1 0 IKAFRM CC(C)(CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1)C(=O)[O-] ZINC000013729776 563001721 /nfs/dbraw/zinc/00/17/21/563001721.db2.gz BHZGPWWJYFBUPW-UHFFFAOYSA-N -1 0 433.504 5.804 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000013732498 563001869 /nfs/dbraw/zinc/00/18/69/563001869.db2.gz YZWCYHQBPSQNPQ-DEOSSOPVSA-N -1 0 428.536 5.205 1 0 IKAFRM CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)c(Cl)c3Cl)c(CC(=O)[O-])n2C1 ZINC000013737363 563002594 /nfs/dbraw/zinc/00/25/94/563002594.db2.gz QDXKTZSSGBYUBP-UHFFFAOYSA-N -1 0 448.777 6.992 1 0 IKAFRM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCc1cccc2ccccc21 ZINC000013738978 563002947 /nfs/dbraw/zinc/00/29/47/563002947.db2.gz HRTXTRXQAJEBMK-VPMXTDFASA-N -1 0 433.507 5.064 1 0 IKAFRM O=C([O-])c1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000013741248 563003310 /nfs/dbraw/zinc/00/33/10/563003310.db2.gz BKEFCGHGDTYZRU-SANMLTNESA-N -1 0 435.523 5.617 1 0 IKAFRM CCC[C@@H](C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742325 563003381 /nfs/dbraw/zinc/00/33/81/563003381.db2.gz MMBWYRZTEYSZPE-LFNFIXQYSA-N -1 0 448.563 6.288 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](CC(=O)[O-])c2ccccc2F)cc1 ZINC000013756116 563004362 /nfs/dbraw/zinc/00/43/62/563004362.db2.gz GITTWZFFIVZQDR-OAQYLSRUSA-N -1 0 431.511 5.405 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000013756167 563004440 /nfs/dbraw/zinc/00/44/40/563004440.db2.gz CMNGXYDMBZROEM-YADARESESA-N -1 0 427.548 5.511 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000013756165 563004480 /nfs/dbraw/zinc/00/44/80/563004480.db2.gz CMNGXYDMBZROEM-DVECYGJZSA-N -1 0 427.548 5.511 1 0 IKAFRM COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)[O-])cc1 ZINC000013758980 563004769 /nfs/dbraw/zinc/00/47/69/563004769.db2.gz VLDLZNMMJZDXGG-BMRADRMJSA-N -1 0 449.572 5.882 1 0 IKAFRM CCCCCCC(C)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccc(C(=O)[O-])cc1-2 ZINC000013765610 563005592 /nfs/dbraw/zinc/00/55/92/563005592.db2.gz OZYPBNOVYCOQTG-UHFFFAOYSA-N -1 0 438.564 6.853 1 0 IKAFRM O=c1c(O)c([O-])c(O)c(-c2ccc(C(F)(F)F)cc2)cc1-c1ccc(C(F)(F)F)cc1 ZINC000013775900 563005785 /nfs/dbraw/zinc/00/57/85/563005785.db2.gz ZCGPTEQUCLOKEG-UHFFFAOYSA-N -1 0 442.311 5.535 1 0 IKAFRM C[C@@H]1c2ccccc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000013775914 563005796 /nfs/dbraw/zinc/00/57/96/563005796.db2.gz XFVDWMDSPPMLIZ-GOSISDBHSA-N -1 0 437.583 7.368 1 0 IKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NC(C)C)c1C ZINC000013782440 563006792 /nfs/dbraw/zinc/00/67/92/563006792.db2.gz QQJYYSGSVAWMIH-UHFFFAOYSA-N -1 0 441.597 5.778 1 0 IKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2N(C)C)c1C ZINC000013782437 563006815 /nfs/dbraw/zinc/00/68/15/563006815.db2.gz VRYRTFGNZHRADF-UHFFFAOYSA-N -1 0 427.570 5.024 1 0 IKAFRM COc1ccc2c(C(=S)N(C)CC(=O)[O-])cc(-c3ccccc3)cc2c1C(F)(F)F ZINC000013823550 563010235 /nfs/dbraw/zinc/01/02/35/563010235.db2.gz XUJWLMHQWOPOBU-UHFFFAOYSA-N -1 0 433.451 5.226 1 0 IKAFRM CC(C)(CC(=O)[O-])Cc1nc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000013826783 563010606 /nfs/dbraw/zinc/01/06/06/563010606.db2.gz KFXJTWVHGBQEEF-UHFFFAOYSA-N -1 0 425.743 6.088 1 0 IKAFRM CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(F)cc3)cc(C(=O)[O-])c-2cc1 ZINC000013826316 563010620 /nfs/dbraw/zinc/01/06/20/563010620.db2.gz NMFOFAKOZUXHEU-UHFFFAOYSA-N -1 0 443.540 5.053 1 0 IKAFRM O=C([O-])c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2Cc2ccccc2)cc1 ZINC000013833590 563011854 /nfs/dbraw/zinc/01/18/54/563011854.db2.gz AKPSJDJJPBXDJU-UHFFFAOYSA-N -1 0 438.527 5.348 1 0 IKAFRM CS[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834148 563011899 /nfs/dbraw/zinc/01/18/99/563011899.db2.gz KPYUAGMNCDNPKC-JOCHJYFZSA-N -1 0 445.540 6.119 1 0 IKAFRM CC(C)[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834156 563011913 /nfs/dbraw/zinc/01/19/13/563011913.db2.gz GGKWSWAGDRQJLA-DEOSSOPVSA-N -1 0 441.527 6.454 1 0 IKAFRM Cc1ccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)cc1 ZINC000014969143 563016474 /nfs/dbraw/zinc/01/64/74/563016474.db2.gz RPFZTCWLIDXIQK-UHFFFAOYSA-N -1 0 428.120 5.116 1 0 IKAFRM Cc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])cc2)sc1C ZINC000014977135 563017086 /nfs/dbraw/zinc/01/70/86/563017086.db2.gz KZAIHPRSXFXXNU-FQEVSTJZSA-N -1 0 437.561 5.779 1 0 IKAFRM COc1ccncc1-c1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)[O-])cc1 ZINC000014977087 563017114 /nfs/dbraw/zinc/01/71/14/563017114.db2.gz HVUXJWMRVBQKNL-FQEVSTJZSA-N -1 0 433.504 5.110 1 0 IKAFRM CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(=O)[O-])[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 ZINC000014976906 563017116 /nfs/dbraw/zinc/01/71/16/563017116.db2.gz HSINOMROUCMIEA-FGVHQWLLSA-N -1 0 434.661 5.360 1 0 in-vivo IKAFRM Cc1cc([C@@H](C)CC(=O)[O-])ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000014978149 563017156 /nfs/dbraw/zinc/01/71/56/563017156.db2.gz NPYHQSNOTFSWLT-ZDUSSCGKSA-N -1 0 448.441 6.096 1 0 IKAFRM O=C(C=Cc1ccccc1Cl)Nc1ccc2c(c1)n(O)c([O-])c2C(=O)c1ccccc1 ZINC000017969152 563022076 /nfs/dbraw/zinc/02/20/76/563022076.db2.gz IOBXTEVGZJYPFM-JLHYYAGUSA-N -1 0 432.863 5.121 1 0 IKAFRM C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](CCc1ccccc1)C(C(=O)[O-])C(=O)O ZINC000026157374 563029184 /nfs/dbraw/zinc/02/91/84/563029184.db2.gz AXEUOKNNJBAYHR-NMILUFOSSA-N -1 0 428.613 6.290 1 0 IKAFRM [O-]c1c(Br)cc(Br)cc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000026174921 563029468 /nfs/dbraw/zinc/02/94/68/563029468.db2.gz WPCGNEFBQSMNHC-UHFFFAOYSA-N -1 0 436.025 5.479 1 0 IKAFRM CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)[O-])cc3)c(Br)cc21 ZINC000026292333 563030883 /nfs/dbraw/zinc/03/08/83/563030883.db2.gz KEMIIRYTZUOHJK-UHFFFAOYSA-N -1 0 430.342 5.749 1 0 IKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(S(=O)(=O)[O-])cc3)c2c1 ZINC000026488619 563032448 /nfs/dbraw/zinc/03/24/48/563032448.db2.gz ANINDFPDUQQLJS-GOSISDBHSA-N -1 0 428.554 5.091 1 0 IKAFRM CCC(CC)Cn1nc(-c2ccccc2)c(Cc2cc3c(cc2Cl)OCO3)c1C(=O)[O-] ZINC000026577116 563033856 /nfs/dbraw/zinc/03/38/56/563033856.db2.gz CHPWBJRNTBIYBY-UHFFFAOYSA-N -1 0 440.927 5.657 1 0 IKAFRM CCCc1c(OCCCCCOc2ccccc2CCC(=O)[O-])ccc2c1OCCC2=O ZINC000026731714 563035906 /nfs/dbraw/zinc/03/59/06/563035906.db2.gz HUGLNKSPRQAJNO-UHFFFAOYSA-N -1 0 440.536 5.250 1 0 IKAFRM O=C([O-])CCc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000026968437 563038361 /nfs/dbraw/zinc/03/83/61/563038361.db2.gz AKBGNWCOCINVSX-AOYPEHQESA-N -1 0 431.507 5.570 1 0 IKAFRM CSc1nc2ccccc2n1C/C=C1\c2ccccc2COc2ccc(C(=O)[O-])cc21 ZINC000027089870 563039272 /nfs/dbraw/zinc/03/92/72/563039272.db2.gz INSFOCRIOVTUFX-XDHOZWIPSA-N -1 0 428.513 5.481 1 0 IKAFRM O=C([O-])c1ccc2c(ccc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)c2Cl)c1 ZINC000027106887 563039896 /nfs/dbraw/zinc/03/98/96/563039896.db2.gz COGZYQJUYQQUPC-UHFFFAOYSA-N -1 0 432.947 7.032 1 0 IKAFRM O=C([O-])c1ccc(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2N2CCCCC2)cc1 ZINC000027561752 563044351 /nfs/dbraw/zinc/04/43/51/563044351.db2.gz RYCVDLXQCQAALN-RUZDIDTESA-N -1 0 442.559 5.018 1 0 IKAFRM CC(C)c1sc(C2CCCC2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027632302 563044825 /nfs/dbraw/zinc/04/48/25/563044825.db2.gz XFKYWJPYYRTYBR-XICOBVEKSA-N -1 0 446.584 5.935 1 0 IKAFRM CC(C)(Sc1ccccc1)[C@@H]1OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c2cccnc2)O1 ZINC000027734570 563046345 /nfs/dbraw/zinc/04/63/45/563046345.db2.gz NXDVAQLLECLOGI-RXQGWBKSSA-N -1 0 427.566 5.494 1 0 IKAFRM Cc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)[O-])[C@@H](c3cccnc3)O2)cc1 ZINC000027760774 563046889 /nfs/dbraw/zinc/04/68/89/563046889.db2.gz MUBWANKZYHXEGR-XZPWGIPBSA-N -1 0 425.525 5.089 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C[C@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028006606 563049472 /nfs/dbraw/zinc/04/94/72/563049472.db2.gz SCGSMSRTCYENTL-WLGAKYIFSA-N -1 0 429.645 5.912 1 0 IKAFRM CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)NCC(=O)[O-])c(Cl)c1Cl ZINC000028020765 563050047 /nfs/dbraw/zinc/05/00/47/563050047.db2.gz BODOXPRBLCFXNR-CABCVRRESA-N -1 0 438.376 5.572 1 0 IKAFRM CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCC(=O)[O-])c(Cl)c1Cl ZINC000028020760 563050068 /nfs/dbraw/zinc/05/00/68/563050068.db2.gz BODOXPRBLCFXNR-GJZGRUSLSA-N -1 0 438.376 5.572 1 0 IKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(C(C)=O)cc3n2)c1)C(=O)[O-] ZINC000028096859 563050502 /nfs/dbraw/zinc/05/05/02/563050502.db2.gz OXZDJTCGVPIRSU-UHFFFAOYSA-N -1 0 448.519 5.236 1 0 IKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1 ZINC000028109342 563050846 /nfs/dbraw/zinc/05/08/46/563050846.db2.gz XQGNTLIKFAMDPP-OAQYLSRUSA-N -1 0 425.308 5.400 1 0 IKAFRM O=C(c1ccc(-c2ccccc2)cc1)n1c2ccc(S(=O)(=O)[O-])cc2c2c1CCSC2 ZINC000028125571 563051232 /nfs/dbraw/zinc/05/12/32/563051232.db2.gz HRWLRVHKUIMVSF-UHFFFAOYSA-N -1 0 449.553 5.033 1 0 IKAFRM COc1ccc2c(c1)c(Cc1cccc(C(=O)[O-])c1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028134141 563051486 /nfs/dbraw/zinc/05/14/86/563051486.db2.gz XPUQBKVFRAHDME-UHFFFAOYSA-N -1 0 433.891 5.589 1 0 IKAFRM C[C@@H]1CCCC[C@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(C(=O)[O-])cs1 ZINC000028352939 563053278 /nfs/dbraw/zinc/05/32/78/563053278.db2.gz SORWKNICPKNNRF-IIBYNOLFSA-N -1 0 436.533 5.859 1 0 IKAFRM O=C([O-])C[C@H](c1ccccc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028470656 563055470 /nfs/dbraw/zinc/05/54/70/563055470.db2.gz BEOOWKDNVJKISL-RUZDIDTESA-N -1 0 441.531 5.080 1 0 IKAFRM O=c1oc2ccccc2c([O-])c1[C@@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Oc2ccccc21 ZINC000028475926 563055720 /nfs/dbraw/zinc/05/57/20/563055720.db2.gz FMUGUAKWPMKECV-SQHAQQRYSA-N -1 0 446.502 6.821 1 0 IKAFRM Cc1c(O)c(C(=O)CC(C)C)ccc1OCCCCOc1ccc(CCC(=O)[O-])cc1 ZINC000028524544 563056488 /nfs/dbraw/zinc/05/64/88/563056488.db2.gz HJRMTXJSHAZEGI-UHFFFAOYSA-N -1 0 428.525 5.185 1 0 IKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(/C=C/C(=O)Nc4ccccc4Cl)cc3)nc2c1 ZINC000028524892 563056615 /nfs/dbraw/zinc/05/66/15/563056615.db2.gz AZTIZJGBXZUAHP-XYOKQWHBSA-N -1 0 432.863 5.427 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc5c(c4)OCO5)oc3C)ccc21 ZINC000028565612 563058061 /nfs/dbraw/zinc/05/80/61/563058061.db2.gz KIHPPFYHJKKNQT-TZIWHRDSSA-N -1 0 449.503 5.141 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(C(C)=O)cc21 ZINC000028565468 563058068 /nfs/dbraw/zinc/05/80/68/563058068.db2.gz PZFWDMJGWVGKPN-LEWJYISDSA-N -1 0 447.531 5.615 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C(C)C)cc4)oc3C)ccc21 ZINC000028565814 563058112 /nfs/dbraw/zinc/05/81/12/563058112.db2.gz HUIXGYZXJULARC-NOZRDPDXSA-N -1 0 447.575 6.536 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(C)c(F)c4)oc3C)ccc21 ZINC000028565765 563058146 /nfs/dbraw/zinc/05/81/46/563058146.db2.gz IUXVOQBUCYELQI-UNMCSNQZSA-N -1 0 437.511 5.860 1 0 IKAFRM CCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@@H]4[C@H](CC)C(=O)[O-])c(C)o2)cc1 ZINC000028565791 563058156 /nfs/dbraw/zinc/05/81/56/563058156.db2.gz HUYAIOIUSQXLBC-LADGPHEKSA-N -1 0 433.548 5.975 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4c(F)cccc4F)oc3C)ccc21 ZINC000028566060 563058183 /nfs/dbraw/zinc/05/81/83/563058183.db2.gz JSYOCLBCSGEPPO-IEBWSBKVSA-N -1 0 441.474 5.690 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21 ZINC000028565830 563058187 /nfs/dbraw/zinc/05/81/87/563058187.db2.gz ISTCWLKALCYQEN-MJGOQNOKSA-N -1 0 445.437 6.080 1 0 IKAFRM O=C([O-])c1ccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc3ccccc32)cc1 ZINC000028566239 563058194 /nfs/dbraw/zinc/05/81/94/563058194.db2.gz BPSXSFBIKYMMBD-UHFFFAOYSA-N -1 0 448.482 6.608 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cccc(OC)c4)oc3C)ccc21 ZINC000028566318 563058253 /nfs/dbraw/zinc/05/82/53/563058253.db2.gz RFRDALNUYIXSRW-JTHBVZDNSA-N -1 0 435.520 5.421 1 0 IKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)C1C(=O)OC/C(C)=C/c1ccccc1 ZINC000028568609 563058490 /nfs/dbraw/zinc/05/84/90/563058490.db2.gz VIVLUFQYGHDDPU-RJFUWHGBSA-N -1 0 437.923 6.146 1 0 IKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(Cl)c2)C1C(=O)OC/C(C)=C/c1ccccc1 ZINC000028568610 563058530 /nfs/dbraw/zinc/05/85/30/563058530.db2.gz VIVLUFQYGHDDPU-IKGLHZDASA-N -1 0 437.923 6.146 1 0 IKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)C1C(=O)OC/C=C/c1ccc(C)cc1 ZINC000028568434 563058538 /nfs/dbraw/zinc/05/85/38/563058538.db2.gz ULHXGRDRDRBFHQ-GDMONPAUSA-N -1 0 437.923 6.065 1 0 IKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-] ZINC000028572207 563059553 /nfs/dbraw/zinc/05/95/53/563059553.db2.gz JCFQLEQXRPWVTQ-NRFANRHFSA-N -1 0 444.877 6.250 1 0 IKAFRM CCCC[C@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000028652313 563061249 /nfs/dbraw/zinc/06/12/49/563061249.db2.gz YKLQIFXBHVFFQC-QGZVFWFLSA-N -1 0 437.458 5.078 1 0 IKAFRM CCO[C@@H](CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000028704707 563061892 /nfs/dbraw/zinc/06/18/92/563061892.db2.gz MYJXROCQWAHVTL-SFHVURJKSA-N -1 0 442.499 5.607 1 0 IKAFRM CC(C)N(C(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(C(=O)[O-])=CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000028759840 563063568 /nfs/dbraw/zinc/06/35/68/563063568.db2.gz LGKMEHLZMDCMTK-VJGLKGPISA-N -1 0 425.613 5.752 1 0 IKAFRM CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000028762914 563063840 /nfs/dbraw/zinc/06/38/40/563063840.db2.gz FVTCNLLXUQELJA-UHFFFAOYSA-N -1 0 440.927 5.356 1 0 IKAFRM COc1cccc(Sc2c3ccccc3n(Cc3ccc4c(c3)OCO4)c2C(=O)[O-])c1 ZINC000028770533 563064451 /nfs/dbraw/zinc/06/44/51/563064451.db2.gz KEJQXHVQMSWRIM-UHFFFAOYSA-N -1 0 433.485 5.276 1 0 IKAFRM CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(-c2ccncc2)c1 ZINC000028890891 563068373 /nfs/dbraw/zinc/06/83/73/563068373.db2.gz OAZGGHCYFQETEG-HXUWFJFHSA-N -1 0 433.548 5.873 1 0 IKAFRM CC(C)(Oc1cccc(CN(CCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900597 563069020 /nfs/dbraw/zinc/06/90/20/563069020.db2.gz BAUUYHPDJJBWOY-UHFFFAOYSA-N -1 0 446.503 5.155 1 0 IKAFRM O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000028948709 563069275 /nfs/dbraw/zinc/06/92/75/563069275.db2.gz XOHXORGNNPGARI-UHFFFAOYSA-N -1 0 446.502 7.411 1 0 IKAFRM CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000028948724 563069281 /nfs/dbraw/zinc/06/92/81/563069281.db2.gz ZMVCYQNYGPSLAV-UHFFFAOYSA-N -1 0 444.534 7.134 1 0 IKAFRM Cc1sc(-c2ccc(C(C)C)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028951975 563069711 /nfs/dbraw/zinc/06/97/11/563069711.db2.gz QWYLBHUGMYNWAI-NRFANRHFSA-N -1 0 435.589 6.368 1 0 IKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952149 563069724 /nfs/dbraw/zinc/06/97/24/563069724.db2.gz GHQZEYMCJYZIPJ-VQHVLOKHSA-N -1 0 447.453 5.693 1 0 IKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C\C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952154 563069741 /nfs/dbraw/zinc/06/97/41/563069741.db2.gz GHQZEYMCJYZIPJ-CLFYSBASSA-N -1 0 447.453 5.693 1 0 IKAFRM CCN1C(=O)OC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)[O-])ccc3OC(F)(F)F)cc21 ZINC000028952499 563069743 /nfs/dbraw/zinc/06/97/43/563069743.db2.gz DNMYAXYNFBZYLV-VQHVLOKHSA-N -1 0 449.425 5.870 1 0 IKAFRM CCn1c(=O)c2c(c3ccc(-c4cc(/C=C/C(=O)[O-])ccc4OC(F)(F)F)cc31)CCC2 ZINC000028952507 563069749 /nfs/dbraw/zinc/06/97/49/563069749.db2.gz DKMRHVDEXKTNTG-YRNVUSSQSA-N -1 0 443.421 5.174 1 0 IKAFRM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3ccc(/C=C/C(=O)[O-])cc3OC(F)(F)F)cc21 ZINC000028952472 563069787 /nfs/dbraw/zinc/06/97/87/563069787.db2.gz FGLHWIKNCQKHSV-VQHVLOKHSA-N -1 0 447.453 5.693 1 0 IKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3ccc(C)cc3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962601 563070791 /nfs/dbraw/zinc/07/07/91/563070791.db2.gz MWFLQMSIJBEXEN-DEOSSOPVSA-N -1 0 446.934 5.921 1 0 IKAFRM CC(C)[C@@H](O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000029054220 563073274 /nfs/dbraw/zinc/07/32/74/563073274.db2.gz HNYWTBDLRJSCMP-WHEQGISXSA-N -1 0 447.959 6.236 1 0 IKAFRM Cc1ccc(-c2nsc(CSc3ccc(OC(C)(C)C(=O)[O-])c(C)c3)n2)cc1Cl ZINC000029058101 563073603 /nfs/dbraw/zinc/07/36/03/563073603.db2.gz QKPRBQKBZSCFSF-UHFFFAOYSA-N -1 0 448.997 6.010 1 0 IKAFRM O=C([O-])c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1 ZINC000029063343 563073782 /nfs/dbraw/zinc/07/37/82/563073782.db2.gz RNYKZORPQQHVQC-UHFFFAOYSA-N -1 0 440.337 5.710 1 0 IKAFRM O=C([O-])c1ccc(N(CCCc2ccc(Cl)cc2)CCCc2ccc(Cl)cc2)cc1 ZINC000029204207 563076424 /nfs/dbraw/zinc/07/64/24/563076424.db2.gz SPBOSYHTEBTWKP-UHFFFAOYSA-N -1 0 442.386 6.764 1 0 IKAFRM O=C(Nc1nccs1)c1c(=O)c2cccc(SC(F)(F)F)c2[n-]c1C(F)(F)F ZINC000029234951 563077010 /nfs/dbraw/zinc/07/70/10/563077010.db2.gz KGRGWZSGMYADOC-UHFFFAOYSA-N -1 0 439.362 5.280 1 0 IKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCCCC[C@@H]2OC(=O)[N-]C2=O)cc1 ZINC000029320063 563077678 /nfs/dbraw/zinc/07/76/78/563077678.db2.gz LARRWRRQVOITFS-QHCPKHFHSA-N -1 0 448.519 5.009 1 0 IKAFRM C/C(=C\C(=O)[O-])c1cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3OCC(F)F)c2o1 ZINC000029341729 563078459 /nfs/dbraw/zinc/07/84/59/563078459.db2.gz BRUVNPAWSIQMDY-CXUHLZMHSA-N -1 0 442.502 7.478 1 0 IKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000029343581 563078559 /nfs/dbraw/zinc/07/85/59/563078559.db2.gz FREQDJRSODURKP-QHCPKHFHSA-N -1 0 449.938 5.599 1 0 IKAFRM C/C(=C\C(=O)[O-])c1cc2cccc(-c3cc(C(C)C)cc(C(C)C)c3OCCCF)c2o1 ZINC000029346737 563078757 /nfs/dbraw/zinc/07/87/57/563078757.db2.gz SPSOFQGNXAPYIS-LDADJPATSA-N -1 0 438.539 7.573 1 0 IKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)[O-] ZINC000029462561 563080222 /nfs/dbraw/zinc/08/02/22/563080222.db2.gz GLBZPBNMEIGXBB-HWIYRCFISA-N -1 0 426.666 8.623 1 0 IKAFRM CCCc1ccc(OC)c2cc(-c3ccc(-c4ccc(C(=O)[O-])c5ccccc45)[nH]3)oc21 ZINC000029464915 563080261 /nfs/dbraw/zinc/08/02/61/563080261.db2.gz DFPYDOMBROWXSE-UHFFFAOYSA-N -1 0 425.484 6.907 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C=C(CC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000029465635 563080320 /nfs/dbraw/zinc/08/03/20/563080320.db2.gz FXXQHWJUWVIDGU-JNGDMFNZSA-N -1 0 443.672 6.302 1 0 IKAFRM COc1ccccc1-c1cccc2c1CCN2c1nc2ccc(F)cc2c(C(=O)[O-])c1C ZINC000029464361 563080322 /nfs/dbraw/zinc/08/03/22/563080322.db2.gz HHHAELSATFIAGO-UHFFFAOYSA-N -1 0 428.463 5.750 1 0 IKAFRM O=C([O-])c1ccc(-c2ccc(-c3cc4ccc5ccccc5c4o3)[nH]2)c(Br)c1 ZINC000029468073 563080486 /nfs/dbraw/zinc/08/04/86/563080486.db2.gz YDROHZHYEKKGPY-UHFFFAOYSA-N -1 0 432.273 6.709 1 0 IKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 ZINC000029473883 563080704 /nfs/dbraw/zinc/08/07/04/563080704.db2.gz QBSUTEWMWWCKAB-UHFFFAOYSA-N -1 0 448.906 5.231 1 0 IKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029569238 563082965 /nfs/dbraw/zinc/08/29/65/563082965.db2.gz KQFROUCLXDASFA-UFZRFNMKSA-N -1 0 447.619 6.330 1 0 IKAFRM CC(=O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@](C)(Cc3cc(C(=O)[O-])ccc3O)[C@H](C)CC[C@]21C ZINC000034106681 563085544 /nfs/dbraw/zinc/08/55/44/563085544.db2.gz PCLWWUDFTVTRTJ-PDWRVGQOSA-N -1 0 426.597 6.107 1 0 IKAFRM C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@@H](C)/C=C/C(C)C)c2ccc(cc2C(=O)[O-])C[C@@H](O)CC1 ZINC000034172050 563085743 /nfs/dbraw/zinc/08/57/43/563085743.db2.gz BYSDVQRGPLYEPF-VSKQMQSZSA-N -1 0 438.652 7.157 1 0 IKAFRM O=C([O-])c1cccc(-c2ccc3ccc(Br)c(OCc4ccccc4)c3n2)n1 ZINC000034175819 563085754 /nfs/dbraw/zinc/08/57/54/563085754.db2.gz ZBLHPKZDCJZHPN-UHFFFAOYSA-N -1 0 435.277 5.337 1 0 IKAFRM Cc1cc([C@H](Cc2ccc(CCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)[O-])on1 ZINC000034233139 563085832 /nfs/dbraw/zinc/08/58/32/563085832.db2.gz MFMKMCYXEFZRGM-QFIPXVFZSA-N -1 0 430.504 5.533 1 0 IKAFRM CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)c(C)c3)oc2C)c1)C(=O)[O-] ZINC000034717684 563086992 /nfs/dbraw/zinc/08/69/92/563086992.db2.gz MMOLYSUHEKSQBL-HSZRJFAPSA-N -1 0 436.483 5.133 1 0 IKAFRM O=C([O-])[C@@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl ZINC000034892386 563088555 /nfs/dbraw/zinc/08/85/55/563088555.db2.gz NCWQPARYSYJFNI-FQEVSTJZSA-N -1 0 433.287 5.269 1 0 in-vivo IKAFRM O=C(c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)C1CCCCC1 ZINC000035017500 563088856 /nfs/dbraw/zinc/08/88/56/563088856.db2.gz ZQFHFAKGVWQWJG-UHFFFAOYSA-N -1 0 431.319 5.404 1 0 IKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccccc3F)c2c1 ZINC000035079452 563089242 /nfs/dbraw/zinc/08/92/42/563089242.db2.gz BWLSLJRAVDLLBP-GFCCVEGCSA-N -1 0 431.872 5.012 1 0 IKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cccc(F)c3)c2c1 ZINC000035079415 563089251 /nfs/dbraw/zinc/08/92/51/563089251.db2.gz FJIXDWRFKRLNIH-GFCCVEGCSA-N -1 0 431.872 5.012 1 0 IKAFRM CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)[O-])cc3)c(OCC(F)(F)F)cc21 ZINC000035801229 563089900 /nfs/dbraw/zinc/08/99/00/563089900.db2.gz HCCZOIXYYAJXSJ-UHFFFAOYSA-N -1 0 434.454 5.906 1 0 IKAFRM COc1ccc([C@H](c2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)c2ccccc2)cc1 ZINC000035820762 563089992 /nfs/dbraw/zinc/08/99/92/563089992.db2.gz VOTMNFLWKCFMIN-HSZRJFAPSA-N -1 0 449.959 6.279 1 0 IKAFRM O=C([O-])Cc1sc([C@H](c2ccccc2)c2ccc(F)c(F)c2)nc1-c1ccc(F)cc1 ZINC000035952025 563090563 /nfs/dbraw/zinc/09/05/63/563090563.db2.gz XCFLGUSGJLLMBZ-JOCHJYFZSA-N -1 0 439.458 6.035 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000036152837 563091361 /nfs/dbraw/zinc/09/13/61/563091361.db2.gz JDAULUKGZUDSNK-PIKPVMJISA-N -1 0 427.629 5.832 1 0 IKAFRM CC(C)N(C(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(C(=O)[O-])=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000036152847 563091369 /nfs/dbraw/zinc/09/13/69/563091369.db2.gz LGKMEHLZMDCMTK-RXVNJIABSA-N -1 0 425.613 5.752 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3C=CC4=CC(C(=O)[O-])=CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000036152829 563091422 /nfs/dbraw/zinc/09/14/22/563091422.db2.gz YNWNNHNPVXWHLN-PIKPVMJISA-N -1 0 425.613 5.608 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(CC)c1 ZINC000036175972 563091498 /nfs/dbraw/zinc/09/14/98/563091498.db2.gz SWLVEYCAYXPYDG-VWLOTQADSA-N -1 0 443.547 5.426 1 0 IKAFRM O=C([O-])CC[C@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175692 563091516 /nfs/dbraw/zinc/09/15/16/563091516.db2.gz HMVCACBDXIUZTM-SZNDQCEHSA-N -1 0 442.911 5.342 1 0 IKAFRM CC(C)[S@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@H](CC(=O)[O-])CCC3 ZINC000036190379 563092007 /nfs/dbraw/zinc/09/20/07/563092007.db2.gz ZJGIFGGZYNWIOE-NOVUIFNWSA-N -1 0 443.996 5.754 1 0 IKAFRM CC(C)(Cc1ccc(F)cc1)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1 ZINC000036242512 563092305 /nfs/dbraw/zinc/09/23/05/563092305.db2.gz BTQUYNSSMOAITN-MBQIUONJSA-N -1 0 427.516 5.331 1 0 IKAFRM CO[C@@H](C(=O)[O-])c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl ZINC000036310705 563092653 /nfs/dbraw/zinc/09/26/53/563092653.db2.gz CWACAJRSVNPLPE-JOCHJYFZSA-N -1 0 447.314 5.924 1 0 IKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3Cl)cc1)n2C1CCCC1 ZINC000036350370 563093268 /nfs/dbraw/zinc/09/32/68/563093268.db2.gz HYLHFJNPDAVCHC-UHFFFAOYSA-N -1 0 446.934 6.749 1 0 IKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000036387304 563094638 /nfs/dbraw/zinc/09/46/38/563094638.db2.gz CCECEIMIPFAOJG-DQEYMECFSA-N -1 0 447.556 5.191 3 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000036410226 563095138 /nfs/dbraw/zinc/09/51/38/563095138.db2.gz LTSCYVQPSBMCFH-ROUUACIJSA-N -1 0 432.467 5.938 1 0 IKAFRM CCC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12 ZINC000038159348 563096906 /nfs/dbraw/zinc/09/69/06/563096906.db2.gz CBWIQESKAAPFPL-LGPZTRHMSA-N -1 0 434.661 5.504 1 0 IKAFRM CCCC(=O)c1c([O-])c2c([C@@H](O)CC)cc(=O)oc2c(C/C=C(\C)CCC=C(C)C)c1O ZINC000040378990 563099377 /nfs/dbraw/zinc/09/93/77/563099377.db2.gz CVXJMIXOZUDJBC-BAILOTOSSA-N -1 0 442.552 5.866 1 0 IKAFRM CC(C)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000040420933 563102126 /nfs/dbraw/zinc/10/21/26/563102126.db2.gz LZONHUSMVCYUJX-CYBMUJFWSA-N -1 0 449.403 6.970 1 0 IKAFRM O=S(=O)(c1nc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)[n-]1)C(F)(F)C(F)F ZINC000040505139 563104303 /nfs/dbraw/zinc/10/43/03/563104303.db2.gz ROHMXEIGYYMPRM-UHFFFAOYSA-N -1 0 436.789 5.168 1 0 IKAFRM C[C@@H]1C[N@H+](CC(=O)[O-])[C@H](C)CN1c1ccccc1Sc1ccc(-c2ccccc2)cc1 ZINC000040533299 563104489 /nfs/dbraw/zinc/10/44/89/563104489.db2.gz ZUESIWVTDPYSCL-WOJBJXKFSA-N -1 0 432.589 5.488 1 0 IKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000040568586 563105201 /nfs/dbraw/zinc/10/52/01/563105201.db2.gz NOXPSSYCVQVISK-UHFFFAOYSA-N -1 0 425.699 5.477 1 0 IKAFRM CC[P@](=O)([O-])[C@@H](C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc21 ZINC000040753095 563106163 /nfs/dbraw/zinc/10/61/63/563106163.db2.gz JPMMULCSPWAVKM-OAQYLSRUSA-N -1 0 443.892 6.678 1 0 IKAFRM CC[P@](=O)([O-])[C@H](C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc21 ZINC000040753092 563106169 /nfs/dbraw/zinc/10/61/69/563106169.db2.gz JPMMULCSPWAVKM-NRFANRHFSA-N -1 0 443.892 6.678 1 0 IKAFRM C[P@](=O)([O-])[C@H](C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc21 ZINC000040752824 563106171 /nfs/dbraw/zinc/10/61/71/563106171.db2.gz GZXIXQPDOFCECC-FQEVSTJZSA-N -1 0 429.865 6.288 1 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000040822627 563107019 /nfs/dbraw/zinc/10/70/19/563107019.db2.gz VUHRBNCQSKUPHG-UHFFFAOYSA-N -1 0 434.483 6.157 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=C/C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040843891 563107332 /nfs/dbraw/zinc/10/73/32/563107332.db2.gz MPQBNNZVAZNECG-IETSBZEFSA-N -1 0 441.656 6.222 1 0 IKAFRM O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)n1 ZINC000040847368 563107603 /nfs/dbraw/zinc/10/76/03/563107603.db2.gz ATOQBKOTVGDYNI-UHFFFAOYSA-N -1 0 433.866 6.485 1 0 IKAFRM Cc1cccc(Nc2cc(Cl)nc(S[C@H](C(=O)[O-])c3cccc4ccccc43)n2)c1C ZINC000040847273 563107608 /nfs/dbraw/zinc/10/76/08/563107608.db2.gz KSKMNZFKRMRMDJ-QFIPXVFZSA-N -1 0 449.963 6.562 1 0 IKAFRM 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]1CC(=O)[O-] ZINC000040860040 563107922 /nfs/dbraw/zinc/10/79/22/563107922.db2.gz PBRRQRYVRNSVBF-BCNFPARNSA-N -1 0 444.700 7.522 1 0 IKAFRM Cc1cc(SCC(F)(F)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000040861449 563108081 /nfs/dbraw/zinc/10/80/81/563108081.db2.gz ZPRWRAXERILZDD-UHFFFAOYSA-N -1 0 436.398 5.284 1 0 IKAFRM CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1C(=O)[O-] ZINC000040934145 563112394 /nfs/dbraw/zinc/11/23/94/563112394.db2.gz VXYOHQKMVSYNID-OAQYLSRUSA-N -1 0 430.548 6.070 1 0 IKAFRM CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc21)C(=O)[O-] ZINC000040937335 563112954 /nfs/dbraw/zinc/11/29/54/563112954.db2.gz CLQWOCHQHSSRFZ-NRFANRHFSA-N -1 0 437.517 5.128 1 0 IKAFRM CO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3C)oc2C)c2ccccc12)C(=O)[O-] ZINC000040938011 563113102 /nfs/dbraw/zinc/11/31/02/563113102.db2.gz MFISYCAZXGRLHH-RUZDIDTESA-N -1 0 445.515 5.375 1 0 IKAFRM 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ZINC000045495289 563134339 /nfs/dbraw/zinc/13/43/39/563134339.db2.gz VENVRIJBCPACKH-RPBOFIJWSA-N -1 0 429.516 5.871 1 0 IKAFRM O=C([O-])C1=C(NC(=O)CCc2ccc3cc(O)ccc3c2)CC[C@H](c2ccccc2F)C1 ZINC000049035712 563136273 /nfs/dbraw/zinc/13/62/73/563136273.db2.gz MTWZGMIQVUHNAR-IBGZPJMESA-N -1 0 433.479 5.040 1 0 IKAFRM CC(C)c1ccc(-c2ccc(OCC(=O)Cn3ccc4cc(C(=O)[O-])ccc43)cc2)cc1 ZINC000049035598 563136298 /nfs/dbraw/zinc/13/62/98/563136298.db2.gz NOYBYYDEUBIPMI-UHFFFAOYSA-N -1 0 427.500 5.778 1 0 IKAFRM O=C([O-])Cc1cnc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cccc(F)c1 ZINC000049068090 563137465 /nfs/dbraw/zinc/13/74/65/563137465.db2.gz ACFQRXVIUVXHIY-UHFFFAOYSA-N -1 0 434.417 5.368 1 0 IKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2ccc(F)cc2)n1)c1cccc2ccccc21 ZINC000049071364 563137804 /nfs/dbraw/zinc/13/78/04/563137804.db2.gz ZPKBXCOEEKMSQQ-FQEVSTJZSA-N -1 0 439.899 6.084 1 0 IKAFRM O=C1[N-]C(=O)[C@H](c2ccccc2-c2ccc(CC[C@@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113218 563138481 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O=c1cc(-c2ccccc2)[n-]n1[C@@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274658 563152610 /nfs/dbraw/zinc/15/26/10/563152610.db2.gz FMSXPQBTIIAFPL-CVEARBPZSA-N -1 0 427.348 5.130 1 0 IKAFRM O=c1c(OCc2ccc(Br)cc2)c(-c2ccccc2)oc2cc([O-])cc(O)c12 ZINC000064539097 563154973 /nfs/dbraw/zinc/15/49/73/563154973.db2.gz IUJNXCIARMQUPO-UHFFFAOYSA-N -1 0 439.261 5.213 1 0 IKAFRM CC(C)(Oc1ccc(-c2csc(NCC(=O)c3ccc(Cl)cc3)n2)cc1)C(=O)[O-] ZINC000066258328 563160235 /nfs/dbraw/zinc/16/02/35/563160235.db2.gz QHEYEVOBXSCHIX-UHFFFAOYSA-N -1 0 430.913 5.000 1 0 IKAFRM Cc1ccc(CN(c2ccc(C(=O)[O-])cc2)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1 ZINC000071296706 563161766 /nfs/dbraw/zinc/16/17/66/563161766.db2.gz KDXZTPUWYGSXSB-UHFFFAOYSA-N -1 0 427.588 7.381 1 0 IKAFRM C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)[O-] ZINC000071316080 563161889 /nfs/dbraw/zinc/16/18/89/563161889.db2.gz SIWDILYVABWYRB-MBAAMAKOSA-N -1 0 440.668 7.052 1 0 IKAFRM CCCC[C@@H](Cc1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(=O)[O-] ZINC000072113119 563163516 /nfs/dbraw/zinc/16/35/16/563163516.db2.gz OBQTVQRLGOQNRJ-VWLOTQADSA-N -1 0 446.587 6.363 1 0 IKAFRM CCCC[C@H](Oc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)[O-] ZINC000072113302 563163546 /nfs/dbraw/zinc/16/35/46/563163546.db2.gz MAZHKGUMMPHZIT-MHZLTWQESA-N -1 0 448.559 5.952 1 0 IKAFRM CC(C)(COc1ccc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cn1)C(=O)[O-] ZINC000073219887 563170401 /nfs/dbraw/zinc/17/04/01/563170401.db2.gz VIUDPXQUWDGJQH-UHFFFAOYSA-N -1 0 440.499 5.644 1 0 IKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1/C=C/[C@H]1CCCN(c2cccc(C(=O)[O-])c2)C1 ZINC000073239927 563171184 /nfs/dbraw/zinc/17/11/84/563171184.db2.gz HMXSROGXEBOZQQ-SNQZOLJRSA-N -1 0 438.980 6.400 1 0 IKAFRM CC(C)Oc1ccc(-c2noc(-c3ccc(N[C@@H]4CC[C@H](C(=O)[O-])C4)cc3)n2)cc1Cl ZINC000073405817 563172823 /nfs/dbraw/zinc/17/28/23/563172823.db2.gz BUDUKLTWKFDUDT-FUHWJXTLSA-N -1 0 441.915 5.509 1 0 IKAFRM 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CC(C)C[C@H](C(=O)[O-])c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000088282904 563180489 /nfs/dbraw/zinc/18/04/89/563180489.db2.gz GTSGYOURKJMREN-IBGZPJMESA-N -1 0 440.889 7.029 1 0 IKAFRM CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CCC(=O)[O-])cc2C)s1 ZINC000095558243 563181813 /nfs/dbraw/zinc/18/18/13/563181813.db2.gz QNKHCQQCAMURIR-UHFFFAOYSA-N -1 0 441.528 5.117 1 0 IKAFRM COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3[O-])[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000095575619 563185703 /nfs/dbraw/zinc/18/57/03/563185703.db2.gz AUUPEWSGRRNKDN-QFIPXVFZSA-N -1 0 436.895 5.054 1 0 IKAFRM COc1cccc(-c2ccc(-c3cc4c([O-])c(-n5cccn5)c(=O)[nH]c4cc3Cl)cc2)c1 ZINC000095575472 563185707 /nfs/dbraw/zinc/18/57/07/563185707.db2.gz ABBVSFUWVVFXEX-UHFFFAOYSA-N -1 0 443.890 5.415 1 0 IKAFRM CC=C[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1c1n[n-]c2c1c(=O)[nH]cc2-c1ccc(O)cc1 ZINC000095576259 563185898 /nfs/dbraw/zinc/18/58/98/563185898.db2.gz VPEVORHGMIUPOG-RFKCMYLBSA-N -1 0 429.564 5.912 1 0 IKAFRM Cc1c(OCc2ccc(-c3ccccc3)cc2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000095577513 563186375 /nfs/dbraw/zinc/18/63/75/563186375.db2.gz SNFLXKJWJXOLFU-UHFFFAOYSA-N -1 0 428.484 5.673 1 0 IKAFRM CCCSc1nc(Oc2cccc(CCC(=O)[O-])c2)ccc1C(=O)NC1CCCCC1 ZINC000095578932 563186879 /nfs/dbraw/zinc/18/68/79/563186879.db2.gz PZOGIDOAFWRMRR-UHFFFAOYSA-N -1 0 442.581 5.456 1 0 IKAFRM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1ccc(C(=O)[O-])cc1)occ3C(C)(C)C ZINC000095580967 563187499 /nfs/dbraw/zinc/18/74/99/563187499.db2.gz VQKZGBZOWPODOA-UHFFFAOYSA-N -1 0 447.487 5.415 1 0 IKAFRM O=S(=O)([N-]c1ncns1)c1ccc(Oc2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000095581870 563187688 /nfs/dbraw/zinc/18/76/88/563187688.db2.gz OVCPXIHWVKSZQB-UHFFFAOYSA-N -1 0 443.937 5.452 1 0 IKAFRM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1cccc(C(=O)[O-])c1)occ3C(C)(C)C ZINC000095582041 563187757 /nfs/dbraw/zinc/18/77/57/563187757.db2.gz QACHYYYUUBKCLQ-UHFFFAOYSA-N -1 0 447.487 5.415 1 0 IKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccccc2[C@@H]2CCCCO2)c(F)c1 ZINC000095582915 563188055 /nfs/dbraw/zinc/18/80/55/563188055.db2.gz XOZSGRIAEMWCGC-KRWDZBQOSA-N -1 0 434.514 5.117 1 0 IKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccccc2[C@H]2CCCCO2)c(F)c1 ZINC000095582916 563188081 /nfs/dbraw/zinc/18/80/81/563188081.db2.gz XOZSGRIAEMWCGC-QGZVFWFLSA-N -1 0 434.514 5.117 1 0 IKAFRM COc1ccc(-n2nc(-c3ccccc3OCCCC(=O)[O-])cc2-c2ccccc2)cc1 ZINC000095590900 563190199 /nfs/dbraw/zinc/19/01/99/563190199.db2.gz PYNNGKCFLBJJOH-UHFFFAOYSA-N -1 0 428.488 5.459 1 0 IKAFRM Cc1cc2ccc3c(c2o1)c(-c1ccc[nH]c1=O)c(C(=O)[O-])n3Cc1cc(F)ccc1F ZINC000095602267 563193107 /nfs/dbraw/zinc/19/31/07/563193107.db2.gz KGMDECQHDVHXKN-UHFFFAOYSA-N -1 0 434.398 5.076 1 0 IKAFRM CCc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)[O-])n1Cc1cc(F)ccc1F ZINC000095602626 563193223 /nfs/dbraw/zinc/19/32/23/563193223.db2.gz GUDMLIGYPGXASY-UHFFFAOYSA-N -1 0 448.425 5.330 1 0 IKAFRM O=C([O-])CSc1nnc(-c2ccc3ccccc3c2)n1-c1ccc(Cl)c(Cl)c1 ZINC000096273196 563196814 /nfs/dbraw/zinc/19/68/14/563196814.db2.gz QVVXHYGLJXNMKW-UHFFFAOYSA-N -1 0 430.316 5.571 1 0 IKAFRM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000096924216 563198009 /nfs/dbraw/zinc/19/80/09/563198009.db2.gz XGMYUZPPOKNSMO-UHFFFAOYSA-N -1 0 448.466 6.186 1 0 IKAFRM O=C([O-])c1sc(-c2ccc(Cl)c(Cl)c2)cc1NC(=O)NCCc1ccccc1 ZINC000096924197 563198047 /nfs/dbraw/zinc/19/80/47/563198047.db2.gz OUJITBFNYCRYFM-UHFFFAOYSA-N -1 0 435.332 5.784 1 0 IKAFRM O=C([O-])c1cc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2oc1=O ZINC000096938281 563199783 /nfs/dbraw/zinc/19/97/83/563199783.db2.gz VUKUZLJFYTWZOL-UHFFFAOYSA-N -1 0 432.272 5.108 1 0 IKAFRM CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1CC3 ZINC000040165474 574414619 /nfs/dbraw/zinc/41/46/19/574414619.db2.gz GLCDBDRQLZKKOJ-HQDYGVSGSA-N -1 0 444.700 7.234 1 0 endogenous,in-man IKAFRM CC(C)=CCC[C@@]1(C)C=Cc2c(-c3oc4cc([O-])cc(O)c4c(=O)c3O)ccc(O)c2O1 ZINC000014650056 291396484 /nfs/dbraw/zinc/39/64/84/291396484.db2.gz LBBKHSYDJWHLOM-VWLOTQADSA-N -1 0 436.460 5.193 1 0 biogenic,in-vitro IKAFRM CC(C)=CCc1c([O-])c(C(=O)c2ccccc2)c2c(c1O)[C@H](c1ccccc1)CC(=O)O2 ZINC000014883278 291396922 /nfs/dbraw/zinc/39/69/22/291396922.db2.gz BKIBEPYJFMPNLS-FQEVSTJZSA-N -1 0 428.484 5.279 1 0 biogenic,in-vitro IKAFRM CC(C)=CCc1c([O-])c(C(=O)c2ccccc2)c2c(c1O)[C@@H](c1ccccc1)CC(=O)O2 ZINC000014883276 291396939 /nfs/dbraw/zinc/39/69/39/291396939.db2.gz BKIBEPYJFMPNLS-HXUWFJFHSA-N -1 0 428.484 5.279 1 0 biogenic,in-vitro IKAFRM Cc1ccccc1C1=CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000008602162 132286580 /nfs/dbraw/zinc/28/65/80/132286580.db2.gz PLWVHAYETZEFRC-UHFFFAOYSA-N -1 0 447.922 5.288 1 0 IKAFRM O=C([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(OC(F)(F)F)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]21 ZINC000012429104 526345851 /nfs/dbraw/zinc/34/58/51/526345851.db2.gz PGWVIXVBAURRHU-XFNBSFSFSA-N -1 0 437.845 6.233 2 0 IKAFRM 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]3CC[C@]21C ZINC000100076665 560053594 /nfs/dbraw/zinc/05/35/94/560053594.db2.gz CIYYAWPHDGBGKJ-PMYGRXGJSA-N -1 0 440.712 7.636 1 0 biogenic,in-vitro IKAFRM CCCCC[C@H](O)/C=C/C=C(/CCCC[C@@H](CCC(=O)[O-])CCC(C)C)C[C@H](O)CO ZINC000085490974 560075287 /nfs/dbraw/zinc/07/52/87/560075287.db2.gz UFKALVILSLXAGS-WGLKWOQPSA-N -1 0 440.665 5.631 1 0 biogenic,in-vitro IKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCc1cc2cc(CC(=O)[O-])ccc2[nH]1 ZINC000001488906 560180722 /nfs/dbraw/zinc/18/07/22/560180722.db2.gz DFFOSEJNFZUOSK-UHFFFAOYSA-N -1 0 429.516 6.161 1 0 in-vitro IKAFRM O=C([O-])C1(c2ccc3c(c2)OC[C@@H](Cc2ccc(-c4ccccc4)cc2)[C@@H]3O)CCCC1 ZINC000001540225 560181954 /nfs/dbraw/zinc/18/19/54/560181954.db2.gz KMNLXCBYBKHKSK-GJZUVCINSA-N -1 0 428.528 5.535 1 0 in-vitro IKAFRM O=C([O-])c1ccc(OCc2nc3ccccc3[nH]2)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000000589815 562918360 /nfs/dbraw/zinc/91/83/60/562918360.db2.gz POQRLNVYEGDLGP-UHFFFAOYSA-N -1 0 443.286 5.726 1 0 IKAFRM O=C([O-])COc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000000834486 562919304 /nfs/dbraw/zinc/91/93/04/562919304.db2.gz NSEKSHQWPKYIBH-UHFFFAOYSA-N -1 0 437.455 5.529 1 0 IKAFRM Cc1oc(-c2ccccc2C)nc1Cc1cc2cc(C[C@@H]3SC(=O)[N-]C3=O)ccc2o1 ZINC000001483007 562922158 /nfs/dbraw/zinc/92/21/58/562922158.db2.gz FWJHEIJICNRLKZ-NRFANRHFSA-N -1 0 432.501 5.190 1 0 IKAFRM CCCCCCC(C)(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)[O-])C[C@H]21 ZINC000001535653 562922575 /nfs/dbraw/zinc/92/25/75/562922575.db2.gz NAPXWHRSAVXKIB-LEWJYISDSA-N -1 0 442.596 6.536 1 0 IKAFRM CCCCc1ncc(/C=C(\Cc2ccc(OC)cc2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000001552580 562922946 /nfs/dbraw/zinc/92/29/46/562922946.db2.gz UXBPVWAZTDUORJ-HMMYKYKNSA-N -1 0 438.955 5.647 1 0 IKAFRM Cc1ccc(C2=CCC(C)(C)c3ccc(C(=O)Nc4ccc(C(=O)[O-])c(F)c4)cc32)cc1 ZINC000001895365 562925318 /nfs/dbraw/zinc/92/53/18/562925318.db2.gz ITECTFOHDPZGJZ-UHFFFAOYSA-N -1 0 429.491 6.198 1 0 IKAFRM O=C([O-])CCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000001914956 562925375 /nfs/dbraw/zinc/92/53/75/562925375.db2.gz WBEPVRZMZNPHOH-UHFFFAOYSA-N -1 0 438.571 7.309 1 0 IKAFRM O=C([O-])[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)CS[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000003639537 562937140 /nfs/dbraw/zinc/93/71/40/562937140.db2.gz LONJDBQLSLSMKJ-UKILVPOCSA-N -1 0 442.540 5.105 1 0 IKAFRM O=C([O-])c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2n1Cc1ccc(O)cc1 ZINC000012341126 562981141 /nfs/dbraw/zinc/98/11/41/562981141.db2.gz YTTFAPRLCZNXFF-UHFFFAOYSA-N -1 0 442.298 5.979 1 0 IKAFRM Cc1cc(-c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2Oc2ccccc2)ccc1F ZINC000012341153 562981166 /nfs/dbraw/zinc/98/11/66/562981166.db2.gz YCNJYPVQZBJJOO-UHFFFAOYSA-N -1 0 441.458 6.544 1 0 IKAFRM O=C([O-])c1cc(Oc2cncc(Cl)n2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000012358154 562981495 /nfs/dbraw/zinc/98/14/95/562981495.db2.gz OSSVQVKVEZPBSO-UHFFFAOYSA-N -1 0 438.654 5.180 1 0 IKAFRM O=C([O-])c1cc(-c2cccc3cccnc32)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000012358150 562981512 /nfs/dbraw/zinc/98/15/12/562981512.db2.gz JNKVAVBHDDQNPH-UHFFFAOYSA-N -1 0 437.282 6.159 1 0 IKAFRM CCO[C@H](Cc1ccc(OCCCN2c3ccccc3CCc3ccccc32)cc1)C(=O)[O-] ZINC000012358189 562981527 /nfs/dbraw/zinc/98/15/27/562981527.db2.gz UCRMCPAGLIQUQC-HHHXNRCGSA-N -1 0 445.559 5.425 1 0 IKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCSc1ccc(CC(=O)[O-])cc1Cl ZINC000012358257 562981634 /nfs/dbraw/zinc/98/16/34/562981634.db2.gz ZOLCKIDHVSAZBR-UHFFFAOYSA-N -1 0 436.957 5.389 1 0 IKAFRM CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccccc2Oc2ccccc2)c1)C(=O)[O-] ZINC000012358335 562981642 /nfs/dbraw/zinc/98/16/42/562981642.db2.gz IJVFLXNAATULGE-IBGZPJMESA-N -1 0 433.504 5.071 1 0 IKAFRM CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1)C(=O)[O-] ZINC000012358339 562981649 /nfs/dbraw/zinc/98/16/49/562981649.db2.gz VYRQBJZRNPNASW-HXUWFJFHSA-N -1 0 433.504 5.071 1 0 IKAFRM CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2cccc(Oc3ccccc3)c2)c1)C(=O)[O-] ZINC000012358337 562981662 /nfs/dbraw/zinc/98/16/62/562981662.db2.gz JZACFHMGKWLZCJ-FQEVSTJZSA-N -1 0 433.504 5.071 1 0 IKAFRM CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccccc2Oc2ccccc2)c1)C(=O)[O-] ZINC000012358336 562981664 /nfs/dbraw/zinc/98/16/64/562981664.db2.gz IJVFLXNAATULGE-LJQANCHMSA-N -1 0 433.504 5.071 1 0 IKAFRM CCCc1cc2c(oc(=O)n2CC)c(CCC)c1O[C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000012358588 562981820 /nfs/dbraw/zinc/98/18/20/562981820.db2.gz WEQANHSKIULRFP-QHCPKHFHSA-N -1 0 439.552 5.848 1 0 IKAFRM O=C([O-])c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1 ZINC000013165420 562985550 /nfs/dbraw/zinc/98/55/50/562985550.db2.gz QBZUPKMHCWADDF-UHFFFAOYSA-N -1 0 428.532 5.746 1 0 in-vitro IKAFRM COc1ccc2c(c1)O[C@@H](C=C(C)C)c1c(=O)c3c(O)c(C=CC(C)C)c([O-])cc3oc1-2 ZINC000013414442 562985992 /nfs/dbraw/zinc/98/59/92/562985992.db2.gz FUOITKFXHPXSCA-IEJURRBGSA-N -1 0 434.488 5.949 1 0 endogenous,in-man IKAFRM CCCCCCC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473456 562988415 /nfs/dbraw/zinc/98/84/15/562988415.db2.gz ZARYTOVAPPLHMX-VWLOTQADSA-N -1 0 438.520 6.145 1 0 IKAFRM CC(C)C[C@]1(C)C(=O)[N-]C(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc21 ZINC000013475195 562988869 /nfs/dbraw/zinc/98/88/69/562988869.db2.gz STSXYWPNJGCBFG-NRFANRHFSA-N -1 0 431.323 5.187 1 0 IKAFRM COc1cccc(C(=O)Nc2c3ccccc3ccc2C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC000013489813 562989999 /nfs/dbraw/zinc/98/99/99/562989999.db2.gz RPRAUIIYWXDNOR-UHFFFAOYSA-N -1 0 443.343 5.413 1 0 IKAFRM CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013493335 562990889 /nfs/dbraw/zinc/99/08/89/562990889.db2.gz ASBBZPNAKJNANA-UHFFFAOYSA-N -1 0 440.927 5.356 1 0 IKAFRM CC(C)c1cc(Oc2c(Br)cc(C(=O)[O-])cc2Br)ccc1O ZINC000013517886 562991162 /nfs/dbraw/zinc/99/11/62/562991162.db2.gz QJSZKQGOEKSPPI-UHFFFAOYSA-N -1 0 430.092 5.531 1 0 IKAFRM CCc1cc(-c2ccsc2/C=C/C(C)=C/C(=O)[O-])c(OCCCF)c(C(C)(C)C)c1 ZINC000013527131 562991760 /nfs/dbraw/zinc/99/17/60/562991760.db2.gz CRBSWWGXRMKHJV-PICNROBXSA-N -1 0 430.585 7.058 1 0 IKAFRM O=C([O-])C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)CCC1 ZINC000013534088 562992281 /nfs/dbraw/zinc/99/22/81/562992281.db2.gz VTGXLCZUWFYELR-UHFFFAOYSA-N -1 0 427.325 5.034 1 0 in-vivo IKAFRM CCCc1cc(C2CCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)[N-]C2=O)c1 ZINC000013553667 562992971 /nfs/dbraw/zinc/99/29/71/562992971.db2.gz IXNIZEHCTFOTJA-XMMPIXPASA-N -1 0 437.536 5.452 1 0 IKAFRM C/C(=C\C[C@@H]1SC(=O)[N-]C1=O)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1 ZINC000013558110 562993544 /nfs/dbraw/zinc/99/35/44/562993544.db2.gz KKNOQFBEQSQHRG-GLHYLFFDSA-N -1 0 434.517 5.374 1 0 IKAFRM CC(C)C1=C2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC1 ZINC000013558241 562993625 /nfs/dbraw/zinc/99/36/25/562993625.db2.gz SCWUSJKROXGXMP-LBIFZSJPSA-N -1 0 438.696 8.183 1 0 IKAFRM O=C([O-])C(=O)c1cn(Cc2ccccc2)c2ccc(-c3cccc(OC(F)(F)F)c3)cc12 ZINC000013580626 562994509 /nfs/dbraw/zinc/99/45/09/562994509.db2.gz JUHKQHFKZQOCQS-UHFFFAOYSA-N -1 0 439.389 5.523 1 0 IKAFRM O=C([O-])C(=O)c1cn(Cc2ccccc2)c2cccc(-c3ccc(OC(F)(F)F)cc3)c12 ZINC000013580628 562994513 /nfs/dbraw/zinc/99/45/13/562994513.db2.gz CTQOVDKJQALJEP-UHFFFAOYSA-N -1 0 439.389 5.523 1 0 IKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013583433 562994946 /nfs/dbraw/zinc/99/49/46/562994946.db2.gz CUGYBEVFMLOOBH-DVNBGNEZSA-N -1 0 446.716 7.578 1 0 IKAFRM CCc1oc2ccccc2c1C(=O)Cc1cc(Br)c([O-])c(Br)c1 ZINC000013586700 562995449 /nfs/dbraw/zinc/99/54/49/562995449.db2.gz NMQOOZHZUVRLGP-UHFFFAOYSA-N -1 0 438.115 5.651 1 0 IKAFRM CC[C@@H](C(=O)NC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[P@@](=O)([O-])O ZINC000013587944 562995895 /nfs/dbraw/zinc/99/58/95/562995895.db2.gz RSBDIBAMWNTGCI-HOLLHPMSSA-N -1 0 439.577 6.205 1 0 IKAFRM C[C@@](Cc1ccc(Cl)cc1)(Oc1ccc([C@H]2CCSc3ccccc32)cc1)C(=O)[O-] ZINC000013604853 562997109 /nfs/dbraw/zinc/99/71/09/562997109.db2.gz CJRBXBXGHGXTQD-BWKNWUBXSA-N -1 0 438.976 6.433 1 0 IKAFRM CCc1cccc(C[C@](C)(Oc2ccc([C@H]3CCSc4ccccc43)cc2)C(=O)[O-])c1 ZINC000013604867 562997110 /nfs/dbraw/zinc/99/71/10/562997110.db2.gz XUHPJPMTCLHFID-KCWPFWIISA-N -1 0 432.585 6.342 1 0 IKAFRM 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CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(S(=O)(=O)[O-])cc3)c2c1 ZINC000026488626 563032447 /nfs/dbraw/zinc/03/24/47/563032447.db2.gz ANINDFPDUQQLJS-SFHVURJKSA-N -1 0 428.554 5.091 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C/CCCC(=O)[O-])[C@H]2NC(=O)c1csc2ccc(F)cc12 ZINC000026492606 563032554 /nfs/dbraw/zinc/03/25/54/563032554.db2.gz BELXZBLLLPZNRW-UWUPLFKFSA-N -1 0 443.584 6.022 1 0 IKAFRM O=C(Nc1ccc(Sc2nc3ccccc3o2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000026507153 563032984 /nfs/dbraw/zinc/03/29/84/563032984.db2.gz AMJUTMRZSXQYNT-UHFFFAOYSA-N -1 0 431.300 6.244 1 0 IKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1C1CCCCC1 ZINC000026575254 563033546 /nfs/dbraw/zinc/03/35/46/563033546.db2.gz VFMCTLQDGZVOMT-UHFFFAOYSA-N -1 0 438.911 5.726 1 0 IKAFRM CC(C)(C(=O)Nc1ccccc1C(=O)[O-])c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000027329330 563041660 /nfs/dbraw/zinc/04/16/60/563041660.db2.gz AYGXUSDXSHSQML-UHFFFAOYSA-N -1 0 425.484 6.247 1 0 IKAFRM CO[C@H](C(=O)Nc1cccc(/C=C/c2nc(C(C)C)cs2)c1)c1ccccc1C(=O)[O-] ZINC000027420011 563042040 /nfs/dbraw/zinc/04/20/40/563042040.db2.gz INBWDDDCUULLQA-LEQVUBRHSA-N -1 0 436.533 5.461 1 0 IKAFRM CCC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1N1CCCCC1 ZINC000027559337 563044092 /nfs/dbraw/zinc/04/40/92/563044092.db2.gz TVSZIMCWXIAULW-OAQYLSRUSA-N -1 0 428.960 5.229 1 0 IKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(F)c(F)c2)CC(=O)c2ccc(F)c(F)c2)c1 ZINC000027641616 563044998 /nfs/dbraw/zinc/04/49/98/563044998.db2.gz YACJQSRTKZBPCV-UHFFFAOYSA-N -1 0 444.380 5.571 1 0 IKAFRM Cc1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c3cccnc3)O2)cc1 ZINC000027760767 563046944 /nfs/dbraw/zinc/04/69/44/563046944.db2.gz MUBWANKZYHXEGR-WFQXODHBSA-N -1 0 425.525 5.089 1 0 IKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(C(=O)[O-])cc21 ZINC000027890686 563048050 /nfs/dbraw/zinc/04/80/50/563048050.db2.gz LPJWKKBXDFNFED-RUZDIDTESA-N -1 0 443.543 6.295 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028019181 563049961 /nfs/dbraw/zinc/04/99/61/563049961.db2.gz AKOGJNHEPRFBPG-STCUNNHWSA-N -1 0 425.613 5.608 1 0 IKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cc4c(cc3n2)CCC4)c1)C(=O)[O-] ZINC000028092586 563050399 /nfs/dbraw/zinc/05/03/99/563050399.db2.gz KEPHPBWTZIPAJX-UHFFFAOYSA-N -1 0 446.547 5.522 1 0 IKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(OC)cc3n2)c1)C(=O)[O-] ZINC000028095443 563050505 /nfs/dbraw/zinc/05/05/05/563050505.db2.gz RQHJEIJNOAWGCP-UHFFFAOYSA-N -1 0 436.508 5.042 1 0 IKAFRM CC(C)(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)[O-])CC3)c(Cl)c1 ZINC000028111541 563050833 /nfs/dbraw/zinc/05/08/33/563050833.db2.gz XQAIQBLJGQZECG-XMMPIXPASA-N -1 0 432.944 5.654 1 0 IKAFRM Cc1ccc(COC([O-])=NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000028125657 563051209 /nfs/dbraw/zinc/05/12/09/563051209.db2.gz LYWORXBHRXQZHC-UHFFFAOYSA-N -1 0 427.525 6.457 1 0 IKAFRM CC1CCC(OC([O-])=NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)CC1 ZINC000028331153 563052576 /nfs/dbraw/zinc/05/25/76/563052576.db2.gz 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IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(Cl)cc21 ZINC000028563601 563057747 /nfs/dbraw/zinc/05/77/47/563057747.db2.gz HTJDIOVINXLWIY-OALUTQOASA-N -1 0 439.939 6.066 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(F)c(C)c4)oc3C)ccc21 ZINC000028565585 563058030 /nfs/dbraw/zinc/05/80/30/563058030.db2.gz MVOMVGIFONCQFN-IFMALSPDSA-N -1 0 437.511 5.860 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(F)c(C)c4)oc3C)ccc21 ZINC000028565579 563058042 /nfs/dbraw/zinc/05/80/42/563058042.db2.gz MVOMVGIFONCQFN-UNMCSNQZSA-N -1 0 437.511 5.860 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(C(C)=O)cc21 ZINC000028565466 563058049 /nfs/dbraw/zinc/05/80/49/563058049.db2.gz PZFWDMJGWVGKPN-RTWAWAEBSA-N -1 0 447.531 5.615 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc(Cl)cc4)oc3C)ccc21 ZINC000028565559 563058059 /nfs/dbraw/zinc/05/80/59/563058059.db2.gz SRMBBYQQDWHGEA-IRLDBZIGSA-N -1 0 439.939 6.066 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(C(C)=O)cc21 ZINC000028565464 563058067 /nfs/dbraw/zinc/05/80/67/563058067.db2.gz PZFWDMJGWVGKPN-SFTDATJTSA-N -1 0 447.531 5.615 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21 ZINC000028565828 563058136 /nfs/dbraw/zinc/05/81/36/563058136.db2.gz ISTCWLKALCYQEN-HKUYNNGSSA-N -1 0 445.437 6.080 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(COc4ccccc4)oc3C)ccc21 ZINC000028565732 563058150 /nfs/dbraw/zinc/05/81/50/563058150.db2.gz OVYJLNXJESPOMP-FYYLOGMGSA-N -1 0 435.520 5.324 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21 ZINC000028565832 563058160 /nfs/dbraw/zinc/05/81/60/563058160.db2.gz ISTCWLKALCYQEN-PKOBYXMFSA-N -1 0 445.437 6.080 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4c(F)cccc4F)oc3C)ccc21 ZINC000028566054 563058167 /nfs/dbraw/zinc/05/81/67/563058167.db2.gz JSYOCLBCSGEPPO-HKUYNNGSSA-N -1 0 441.474 5.690 1 0 IKAFRM 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ZINC000028652250 563061153 /nfs/dbraw/zinc/06/11/53/563061153.db2.gz PBGXLTDXYAQRQY-INIZCTEOSA-N -1 0 437.458 5.078 1 0 IKAFRM CCCOc1ccc(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000028652246 563061162 /nfs/dbraw/zinc/06/11/62/563061162.db2.gz PBGXLTDXYAQRQY-MRXNPFEDSA-N -1 0 437.458 5.078 1 0 IKAFRM CCCCc1nc2cc(C)ccc2c(=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000028756431 563063379 /nfs/dbraw/zinc/06/33/79/563063379.db2.gz HAYRXNIMPIFFSE-UHFFFAOYSA-N -1 0 426.516 5.461 1 0 IKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3coc4ccccc43)cc2)cc1 ZINC000028758630 563063507 /nfs/dbraw/zinc/06/35/07/563063507.db2.gz SCHUKQVUMIGPDL-NDEPHWFRSA-N -1 0 434.491 6.842 1 0 IKAFRM O=C([O-])c1cncc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3F)CCC2)n1 ZINC000028819296 563065155 /nfs/dbraw/zinc/06/51/55/563065155.db2.gz AGNDCABXSVNYAY-UHFFFAOYSA-N -1 0 442.849 5.780 1 0 IKAFRM CSc1ccc(OCc2ccc(F)cc2)c(C2=C(c3cccc(C(=O)[O-])c3)CCC2)c1 ZINC000028819258 563065157 /nfs/dbraw/zinc/06/51/57/563065157.db2.gz SNWMPSSHJNXFIT-UHFFFAOYSA-N -1 0 434.532 6.920 1 0 IKAFRM CCCCCCSc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cn1 ZINC000028821777 563065427 /nfs/dbraw/zinc/06/54/27/563065427.db2.gz UDRNHTHUVYXQPM-UHFFFAOYSA-N -1 0 437.359 5.467 1 0 IKAFRM Cc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(=O)[O-])c(C)c3)c2)c(C)c1 ZINC000028825468 563066247 /nfs/dbraw/zinc/06/62/47/563066247.db2.gz FGPOTUPYQZSXAV-UHFFFAOYSA-N -1 0 447.531 5.576 1 0 IKAFRM O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000028825574 563066249 /nfs/dbraw/zinc/06/62/49/563066249.db2.gz KSZWMOALLGAWTD-STZFKDTASA-N -1 0 431.469 5.414 1 0 IKAFRM CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(-c2ccccc2)c1 ZINC000028890851 563068285 /nfs/dbraw/zinc/06/82/85/563068285.db2.gz XWNWLWRJRXDQCE-OAQYLSRUSA-N -1 0 432.560 6.478 1 0 IKAFRM CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(-c2cccnc2)c1 ZINC000028890886 563068379 /nfs/dbraw/zinc/06/83/79/563068379.db2.gz QNTSQSFJMIOVQR-HXUWFJFHSA-N -1 0 433.548 5.873 1 0 IKAFRM CCc1ccc(-c2nccc(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)cc1 ZINC000028891589 563068389 /nfs/dbraw/zinc/06/83/89/563068389.db2.gz BESRZLMEODTHCH-QFIPXVFZSA-N -1 0 445.563 5.116 1 0 IKAFRM Cc1cc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)ccc1CCC(=O)[O-] ZINC000028902571 563069086 /nfs/dbraw/zinc/06/90/86/563069086.db2.gz CXELXRFOFBSEDQ-UHFFFAOYSA-N -1 0 446.572 5.708 1 0 IKAFRM O=C([O-])CCc1ccc(OCCCN(Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC000028902567 563069098 /nfs/dbraw/zinc/06/90/98/563069098.db2.gz TZEWVJNBKFHMAP-UHFFFAOYSA-N -1 0 446.572 5.789 1 0 IKAFRM O=C([O-])CCc1ccc(OCCN(CCc2ccccc2)c2nc3ccccc3s2)cc1 ZINC000028902538 563069099 /nfs/dbraw/zinc/06/90/99/563069099.db2.gz NGDKSYZZMWERBZ-UHFFFAOYSA-N -1 0 446.572 5.442 1 0 IKAFRM O=C([O-])CCc1ccc(OCCN(Cc2cccs2)c2nc3ccccc3s2)cc1 ZINC000028902553 563069105 /nfs/dbraw/zinc/06/91/05/563069105.db2.gz QNDSUWDNCAOVNF-UHFFFAOYSA-N -1 0 438.574 5.461 1 0 IKAFRM O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000028948648 563069285 /nfs/dbraw/zinc/06/92/85/563069285.db2.gz QZAIUSCFELFJJH-UHFFFAOYSA-N -1 0 446.506 6.541 1 0 IKAFRM CN(C)C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949681 563069445 /nfs/dbraw/zinc/06/94/45/563069445.db2.gz SQHDACKRLHCPFI-UHFFFAOYSA-N -1 0 444.535 5.200 1 0 IKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3cccc(C)c3)cc2-c2ccc(C)cc2)cc1 ZINC000028962682 563070775 /nfs/dbraw/zinc/07/07/75/563070775.db2.gz JBIFXUXIOBJITA-VWLOTQADSA-N -1 0 426.516 5.576 1 0 IKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3cccc(C)c3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962589 563070845 /nfs/dbraw/zinc/07/08/45/563070845.db2.gz DJVUWBWAGOLUIF-DEOSSOPVSA-N -1 0 446.934 5.921 1 0 IKAFRM Cc1cc(SCc2csnc2-c2ccc(C(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000029058739 563073610 /nfs/dbraw/zinc/07/36/10/563073610.db2.gz HXACRUNQCCKYND-UHFFFAOYSA-N -1 0 439.480 5.893 1 0 IKAFRM Cc1cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])ccc1-c1ccc(-c2ccccc2)cc1 ZINC000029216025 563076747 /nfs/dbraw/zinc/07/67/47/563076747.db2.gz GQWXJHLOMZIGEU-MHZLTWQESA-N -1 0 441.571 6.482 1 0 IKAFRM Cc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1-c1ccc(-c2ccccc2)cc1 ZINC000029219639 563076809 /nfs/dbraw/zinc/07/68/09/563076809.db2.gz ZNEBGGLTLHBRHX-MHZLTWQESA-N -1 0 441.571 6.482 1 0 IKAFRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cccc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000029219111 563076827 /nfs/dbraw/zinc/07/68/27/563076827.db2.gz LBMZGOVNUOJUAK-SANMLTNESA-N -1 0 427.544 6.174 1 0 IKAFRM O=C(Nc1nccs1)c1c(=O)c2cccc(C(F)(F)F)c2[n-]c1Cc1ccccc1 ZINC000029233093 563077013 /nfs/dbraw/zinc/07/70/13/563077013.db2.gz MASNHTPQFZPOJP-UHFFFAOYSA-N -1 0 429.423 5.259 1 0 IKAFRM Cc1oc(-c2ccccc2)nc1COc1ccc(CCCC[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029317766 563077727 /nfs/dbraw/zinc/07/77/27/563077727.db2.gz DFBUHRMQIWJWNY-NRFANRHFSA-N -1 0 436.533 5.293 1 0 IKAFRM Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000029400134 563079270 /nfs/dbraw/zinc/07/92/70/563079270.db2.gz IJNNHWHXRLLYKC-UHFFFAOYSA-N -1 0 445.393 5.510 1 0 IKAFRM O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)c1cccc(Oc2ccccc2)c1 ZINC000029402120 563079372 /nfs/dbraw/zinc/07/93/72/563079372.db2.gz XEKOCLUFIOKTLU-VPFHFBEUSA-N -1 0 437.536 5.095 1 0 IKAFRM CCCCC1=N[C@@](C)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029410408 563079819 /nfs/dbraw/zinc/07/98/19/563079819.db2.gz MAFSOCFHKKTPTN-NDEPHWFRSA-N -1 0 440.543 5.898 1 0 IKAFRM CCCCC1=N[C@@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029411635 563079878 /nfs/dbraw/zinc/07/98/78/563079878.db2.gz RWVKKWCBMHVENT-NDEPHWFRSA-N -1 0 446.591 6.322 1 0 IKAFRM COc1cccc(-c2cccc3c2CCN3c2nc3ccc(F)cc3c(C(=O)[O-])c2C)c1 ZINC000029462794 563080182 /nfs/dbraw/zinc/08/01/82/563080182.db2.gz QULZTLYWRCAAGN-UHFFFAOYSA-N -1 0 428.463 5.750 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(CC(=O)[O-])=CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000029465016 563080285 /nfs/dbraw/zinc/08/02/85/563080285.db2.gz OITZRVNFLKKVDS-KQUGEMQRSA-N -1 0 443.672 6.302 1 0 IKAFRM COc1cc2c(c(-c3ccccc3)c1)CCN2c1nc2ccc(F)cc2c(C(=O)[O-])c1C ZINC000029466913 563080362 /nfs/dbraw/zinc/08/03/62/563080362.db2.gz BWINDPZMOYIFDI-UHFFFAOYSA-N -1 0 428.463 5.750 1 0 IKAFRM Cc1ccc(Cl)c2oc(-c3ccc(-c4ccc(C(=O)[O-])cc4Br)[nH]3)cc21 ZINC000029471489 563080725 /nfs/dbraw/zinc/08/07/25/563080725.db2.gz GMTBTCKOWQCXCV-UHFFFAOYSA-N -1 0 430.685 6.517 1 0 IKAFRM CCCn1cc(Cc2ccc(C(=O)[O-])cc2OC)c2cc(NC(=O)CC3CCCC3)ccc21 ZINC000029474891 563080843 /nfs/dbraw/zinc/08/08/43/563080843.db2.gz AFXGFZJCFJDJHP-UHFFFAOYSA-N -1 0 448.563 5.868 1 0 IKAFRM 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=CC[C@]43C)[C@@H]2C1 ZINC000029548560 563081815 /nfs/dbraw/zinc/08/18/15/563081815.db2.gz QUWBANZMJKHMKL-CHMVMOPFSA-N -1 0 438.696 8.039 1 0 IKAFRM CC(C)C1=C2CC[C@]3(C)[C@H](CC=C4[C@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC1 ZINC000029551465 563081917 /nfs/dbraw/zinc/08/19/17/563081917.db2.gz SCWUSJKROXGXMP-LGQVNJCZSA-N -1 0 438.696 8.183 1 0 IKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029567689 563082711 /nfs/dbraw/zinc/08/27/11/563082711.db2.gz KQFROUCLXDASFA-YFYBTJOCSA-N -1 0 447.619 6.330 1 0 IKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C/C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000029567692 563082731 /nfs/dbraw/zinc/08/27/31/563082731.db2.gz KQFROUCLXDASFA-UZYIPSIBSA-N -1 0 447.619 6.330 1 0 IKAFRM CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1)C(=O)[O-] ZINC000034233412 563085884 /nfs/dbraw/zinc/08/58/84/563085884.db2.gz KSCHLJOGABPFTR-IBGZPJMESA-N -1 0 433.504 5.071 1 0 IKAFRM CC1(C)CCc2c([O-])c(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)c3c(c2O1)CCC(C)(C)O3 ZINC000034518600 563086367 /nfs/dbraw/zinc/08/63/67/563086367.db2.gz VHDMMDXMXHLWIF-CMDGGOBGSA-N -1 0 437.492 5.404 1 0 IKAFRM O=C([O-])[C@H](CCSc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000034801874 563087517 /nfs/dbraw/zinc/08/75/17/563087517.db2.gz PAMSLXKVBFUENP-NRFANRHFSA-N -1 0 446.977 5.416 1 0 IKAFRM CCc1c(C)nc(-c2ccc(Br)s2)nc1Nc1ccc(CC(=O)[O-])cc1 ZINC000034805396 563087895 /nfs/dbraw/zinc/08/78/95/563087895.db2.gz UFSSHDACKMUIBN-UHFFFAOYSA-N -1 0 432.343 5.209 1 0 IKAFRM Cc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3ccc([C@H](C)C(=O)[O-])cc32)cc1 ZINC000035079409 563089239 /nfs/dbraw/zinc/08/92/39/563089239.db2.gz BUHSVFACBDQDIV-AWEZNQCLSA-N -1 0 427.909 5.181 1 0 IKAFRM O=C([O-])[C@@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(/C=C/c2c(Cl)cccc2Cl)=N1 ZINC000035879862 563090296 /nfs/dbraw/zinc/09/02/96/563090296.db2.gz DTVKZUCXZKQFAI-IRUYWQDXSA-N -1 0 449.334 5.838 1 0 IKAFRM CC1=C(C(=O)[O-])CC[C@@]2(C)C1=CC[C@@H]1[C@H]3CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000036152920 563091412 /nfs/dbraw/zinc/09/14/12/563091412.db2.gz ABJZRFNMYUZPFJ-HWMPUXAXSA-N -1 0 441.656 6.222 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC000036175989 563091501 /nfs/dbraw/zinc/09/15/01/563091501.db2.gz JVCNVAREAJSFCC-QHCPKHFHSA-N -1 0 449.938 5.517 1 0 IKAFRM CC(C)[S@@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@@H](CC(=O)[O-])CCC3 ZINC000036190372 563091981 /nfs/dbraw/zinc/09/19/81/563091981.db2.gz ZJGIFGGZYNWIOE-ZQHDKMAOSA-N -1 0 443.996 5.754 1 0 IKAFRM O=C([O-])C[C@@H]1CCCc2c3cccc(Br)c3n(Cc3ccc(Cl)cc3)c21 ZINC000036190386 563092001 /nfs/dbraw/zinc/09/20/01/563092001.db2.gz BTWTZWMDGIJYTQ-AWEZNQCLSA-N -1 0 432.745 6.000 1 0 IKAFRM CC(C)[S@](=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@@H](CC(=O)[O-])CCC3 ZINC000036190374 563092034 /nfs/dbraw/zinc/09/20/34/563092034.db2.gz ZJGIFGGZYNWIOE-BJLXPSRBSA-N -1 0 443.996 5.754 1 0 IKAFRM CC(C)(Sc1ccccc1)[C@@H]1OC[C@H](C/C=C\CCC(=O)[O-])[C@H](c2cccnc2)O1 ZINC000036242225 563092292 /nfs/dbraw/zinc/09/22/92/563092292.db2.gz NXDVAQLLECLOGI-WULZDPHUSA-N -1 0 427.566 5.494 1 0 IKAFRM O=C([O-])[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324241 563092745 /nfs/dbraw/zinc/09/27/45/563092745.db2.gz BYGULAHTYKAKLG-SQNIBIBYSA-N -1 0 432.360 5.888 1 0 IKAFRM O=C(Nc1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3[O-])nc2c1)c1ccccc1Cl ZINC000038147888 563096369 /nfs/dbraw/zinc/09/63/69/563096369.db2.gz CVOZHNOLAFROBK-UHFFFAOYSA-N -1 0 432.694 6.148 1 0 IKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCCc1ccc(CC(=O)[O-])cc1 ZINC000038157669 563096848 /nfs/dbraw/zinc/09/68/48/563096848.db2.gz VRCMDLDBHFNHBT-UHFFFAOYSA-N -1 0 435.442 5.828 1 0 IKAFRM CO[P@](=O)([O-])[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000038360128 563097609 /nfs/dbraw/zinc/09/76/09/563097609.db2.gz RQLHEBNSDQMNPQ-INIZCTEOSA-N -1 0 439.615 5.099 1 0 IKAFRM Cc1cc(NC(=O)CC(=O)[O-])c2c(c1Oc1ccc(O)c(Cc3ccc(F)cc3)c1)CCC2 ZINC000038412966 563097686 /nfs/dbraw/zinc/09/76/86/563097686.db2.gz HLWZUMKZJVQGDE-UHFFFAOYSA-N -1 0 449.478 5.125 1 0 IKAFRM C[C@@H]1CC[C@]2(C)[C@H]3CC[C@@](C)(CO)[C@]3(C)CC[C@H]2[C@]1(C)Cc1cc(C(=O)[O-])ccc1O ZINC000038654750 563098062 /nfs/dbraw/zinc/09/80/62/563098062.db2.gz GADPAHOVYVZUKK-VQMVVOJVSA-N -1 0 428.613 5.900 1 0 IKAFRM O=C([O-])c1cccc(-c2cc(Cl)ccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000040380489 563099666 /nfs/dbraw/zinc/09/96/66/563099666.db2.gz DRLVXCRSROSNIE-UHFFFAOYSA-N -1 0 449.333 7.605 1 0 IKAFRM C/C(=C/CC[C@@H](C)C=C1OC(=O)C(C)=C1[O-])CC/C=C(/C)CCCC1=C[C@@H](O)OC1=O ZINC000040394328 563100378 /nfs/dbraw/zinc/10/03/78/563100378.db2.gz NIYLZGMUFLNCHW-IIEMSGQBSA-N -1 0 430.541 5.320 1 0 IKAFRM COc1ccccc1C(=O)Nc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000040431399 563103641 /nfs/dbraw/zinc/10/36/41/563103641.db2.gz ZBYYUHVGEPXIJY-RYRVMRHHSA-N -1 0 449.591 6.166 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040525578 563104414 /nfs/dbraw/zinc/10/44/14/563104414.db2.gz SCGSMSRTCYENTL-LFLRVGSHSA-N -1 0 429.645 5.912 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC(F)=C4C=C(C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040525858 563104476 /nfs/dbraw/zinc/10/44/76/563104476.db2.gz WQOPICUBAMXBEL-JPIIIPPJSA-N -1 0 445.619 6.129 1 0 IKAFRM CCCCc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1ccccc1 ZINC000040567049 563104969 /nfs/dbraw/zinc/10/49/69/563104969.db2.gz YAIUPFYTICDEGX-UHFFFAOYSA-N -1 0 443.341 5.314 1 0 IKAFRM COc1ccc(-c2[n-]c(S(=O)(=O)C(F)(F)C(F)F)nc2-c2ccccc2Cl)cc1 ZINC000040639732 563105710 /nfs/dbraw/zinc/10/57/10/563105710.db2.gz KHMUVDSNKKBHLY-UHFFFAOYSA-N -1 0 448.825 5.037 1 0 IKAFRM O=C([O-])c1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2c1 ZINC000040791283 563106829 /nfs/dbraw/zinc/10/68/29/563106829.db2.gz OPXZJSGFUFISKN-UHFFFAOYSA-N -1 0 432.888 5.619 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040812498 563106889 /nfs/dbraw/zinc/10/68/89/563106889.db2.gz AKOGJNHEPRFBPG-PIKPVMJISA-N -1 0 425.613 5.608 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)[O-])CC[C@]4(C)[C@H]3C=C[C@@]21C)C(C)C ZINC000040810603 563106918 /nfs/dbraw/zinc/10/69/18/563106918.db2.gz MESBERRLWVPOKD-PIKPVMJISA-N -1 0 425.613 5.608 1 0 IKAFRM O=S(=O)([N-]c1ccc2c(c1)ncn2-c1ccc2ccccc2c1)c1ccccc1Cl ZINC000040846401 563107512 /nfs/dbraw/zinc/10/75/12/563107512.db2.gz WXGWJXHGMTYKIF-UHFFFAOYSA-N -1 0 433.920 5.633 1 0 IKAFRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(C(F)(F)F)cc1 ZINC000040872665 563109046 /nfs/dbraw/zinc/10/90/46/563109046.db2.gz UIRZGORFQBLDHE-UHFFFAOYSA-N -1 0 439.025 5.188 1 0 IKAFRM O=C([O-])CCCCC[C@H](NC(=O)c1cncs1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000040878816 563109634 /nfs/dbraw/zinc/10/96/34/563109634.db2.gz BKXXNYSAKGLZLY-IBGZPJMESA-N -1 0 448.548 5.193 1 0 IKAFRM C[C@H]1C=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 ZINC000040894978 563110301 /nfs/dbraw/zinc/11/03/01/563110301.db2.gz PAUZLXLZBFVJQL-OOQZTYGSSA-N -1 0 442.684 6.844 1 0 IKAFRM CC(C)Oc1ccc(-n2c(C(=O)[O-])cc3cc(Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 ZINC000040943205 563113563 /nfs/dbraw/zinc/11/35/63/563113563.db2.gz AOIVSFVPHPQKGL-UHFFFAOYSA-N -1 0 441.571 7.004 1 0 IKAFRM COc1ccc(Br)cc1[C@@H]1Sc2ccc(C(F)(F)F)cc2[N-]C1=S ZINC000040973935 563115109 /nfs/dbraw/zinc/11/51/09/563115109.db2.gz YGPQCRWCIQYNAL-AWEZNQCLSA-N -1 0 434.302 6.063 1 0 IKAFRM CCCCC1(CCCC)OC(c2ccco2)=NN1C(=O)[N-]C(=O)c1c(F)cccc1F ZINC000040977158 563115503 /nfs/dbraw/zinc/11/55/03/563115503.db2.gz OKPMQBANDNKRCT-UHFFFAOYSA-N -1 0 433.455 5.178 1 0 IKAFRM CCC(CC)(c1ccc(F)cc1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)c1 ZINC000043009314 563116347 /nfs/dbraw/zinc/11/63/47/563116347.db2.gz PRTAAFRMQSHVEO-GZYSQLKFSA-N -1 0 442.571 5.655 1 0 IKAFRM Cc1ccc(CNc2nc3cc(C(=O)[O-])ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043019528 563117056 /nfs/dbraw/zinc/11/70/56/563117056.db2.gz MFZPMGKERBFJRP-UHFFFAOYSA-N -1 0 439.437 5.722 1 0 IKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 ZINC000043019931 563117092 /nfs/dbraw/zinc/11/70/92/563117092.db2.gz CRGIXAUSRQUIKD-UHFFFAOYSA-N -1 0 440.493 5.844 1 0 IKAFRM CCC(CC)(c1cccc(F)c1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)c1 ZINC000043021424 563117160 /nfs/dbraw/zinc/11/71/60/563117160.db2.gz QMPBQMYCTYCWCT-DGTKBQTJSA-N -1 0 442.571 5.655 1 0 IKAFRM CCCC[C@@H](Sc1ccc(OCCCOc2cccc3c2CCCC3)cc1)C(=O)[O-] ZINC000043060915 563117699 /nfs/dbraw/zinc/11/76/99/563117699.db2.gz LUTLDXKHISCIJB-XMMPIXPASA-N -1 0 428.594 6.149 1 0 IKAFRM COc1ccc(CCn2c3ccc(C(=O)[O-])cc3nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000043080420 563118560 /nfs/dbraw/zinc/11/85/60/563118560.db2.gz HZMMUPNGQVJTIW-UHFFFAOYSA-N -1 0 441.314 5.960 1 0 IKAFRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2sccc2-c2nc3ccccc3s2)cc1 ZINC000043121840 563118925 /nfs/dbraw/zinc/11/89/25/563118925.db2.gz FGXFYHLIZLRABT-UHFFFAOYSA-N -1 0 428.604 6.123 1 0 IKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc2ncsc2c1 ZINC000043123390 563119057 /nfs/dbraw/zinc/11/90/57/563119057.db2.gz RUEAKCKITMXPFZ-UHFFFAOYSA-N -1 0 429.573 5.435 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000045259813 563127640 /nfs/dbraw/zinc/12/76/40/563127640.db2.gz SCGSMSRTCYENTL-LZLMHVTDSA-N -1 0 429.645 5.912 1 0 IKAFRM 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6.233 2 0 IKAFRM O=C([O-])C[C@H](CCCCC/C=C\CCC1CCCCC1)CC1(c2ccccc2)CCCC1 ZINC000085505932 560074593 /nfs/dbraw/zinc/07/45/93/560074593.db2.gz NHZSTQHWVLHTRJ-VDLSYLOVSA-N -1 0 438.696 8.847 1 0 biogenic,in-vitro IKAFRM C[C@H](O)[C@H](C(=O)[O-])[C@H](CCCCC/C=C\CCC1CCCCC1)CCc1ccccc1 ZINC000085505887 560074747 /nfs/dbraw/zinc/07/47/47/560074747.db2.gz PKAODRIHHNOBGP-HHHOGLAZSA-N -1 0 428.657 7.184 1 0 biogenic,in-vitro IKAFRM CCCCC[C@H](O)CC[C@H](O)[C@@H](CCCCC[C@H]1C=C[C@H](CCCCC)CC1)C(=O)[O-] ZINC000085492929 560074999 /nfs/dbraw/zinc/07/49/99/560074999.db2.gz ZEWLILQOZWJTCY-IYMLOVEFSA-N -1 0 438.693 6.883 1 0 biogenic,in-vitro IKAFRM CC[C@@H](C)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000014592553 560222803 /nfs/dbraw/zinc/22/28/03/560222803.db2.gz JZQNTAVPVKXDHG-MUUNZHRXSA-N -1 0 438.781 10.480 1 0 in-vitro IKAFRM COc1cccc(C(=O)C[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)c1 ZINC000000601118 562918562 /nfs/dbraw/zinc/91/85/62/562918562.db2.gz RUMNDTDQPUXGNU-HXUWFJFHSA-N -1 0 436.891 5.676 1 0 IKAFRM COc1ccccc1C(=O)C[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(C(=O)[O-])c1 ZINC000000601120 562918604 /nfs/dbraw/zinc/91/86/04/562918604.db2.gz WEERLGCFQSCGET-LJQANCHMSA-N -1 0 436.891 5.676 1 0 IKAFRM Cc1cc(Br)ccc1NC(=O)C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000001045936 562920102 /nfs/dbraw/zinc/92/01/02/562920102.db2.gz BEIWRPVXCDHVKJ-NSHDSACASA-N -1 0 445.140 5.651 1 0 IKAFRM O=C([O-])c1ccccc1-c1ccc(CNc2nc(C(F)(F)F)nc3c2CCCC3)cc1 ZINC000001536026 562922568 /nfs/dbraw/zinc/92/25/68/562922568.db2.gz IKHFLZRTPHICQG-UHFFFAOYSA-N -1 0 427.426 5.352 1 0 IKAFRM O=C([O-])Cc1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000001550620 562922815 /nfs/dbraw/zinc/92/28/15/562922815.db2.gz PNVFGVWWQZJNKR-UHFFFAOYSA-N -1 0 434.944 6.942 1 0 IKAFRM CCCCc1ncc(/C=C(\Cc2ccc(OC)s2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000001552609 562922944 /nfs/dbraw/zinc/92/29/44/562922944.db2.gz FKESYUCPUPIGSS-SFQUDFHCSA-N -1 0 444.984 5.708 1 0 IKAFRM COc1cc2oc3c(c(=O)c2c([O-])c1C=CC(C)C)[C@H](C=C(C)C)Oc1cc(O)ccc1-3 ZINC000001763472 562924575 /nfs/dbraw/zinc/92/45/75/562924575.db2.gz FWIXOUMETCCFPO-IEJURRBGSA-N -1 0 434.488 5.949 1 0 IKAFRM O=C([O-])CCCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000002014467 562925640 /nfs/dbraw/zinc/92/56/40/562925640.db2.gz ASAAIRIFBSTUSE-UHFFFAOYSA-N -1 0 438.571 7.309 1 0 IKAFRM CCCCCN(CCCCC)S(=O)(=O)[N-]C(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000003778062 562937691 /nfs/dbraw/zinc/93/76/91/562937691.db2.gz ASWJSCQZJSAGGM-UHFFFAOYSA-N -1 0 440.650 5.949 1 0 IKAFRM C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]13C ZINC000003795941 562938131 /nfs/dbraw/zinc/93/81/31/562938131.db2.gz DQBAMWXMUCSBLO-VSQBJKSGSA-N -1 0 438.564 5.279 1 0 IKAFRM O=C([O-])[C@@H]1Cc2cc(-c3ccccc3)ccc2CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000003796589 562938138 /nfs/dbraw/zinc/93/81/38/562938138.db2.gz QUEDIBYBBUOWGZ-MHZLTWQESA-N -1 0 447.534 5.524 1 0 IKAFRM Cc1c(C(=O)[O-])ccc2c1CC[C@H]1[C@@H]3CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)CC[C@H]21 ZINC000003799791 562938198 /nfs/dbraw/zinc/93/81/98/562938198.db2.gz NFVDCTPOASDLRH-CXBVJKJKSA-N -1 0 425.613 5.811 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(C(=O)[O-])c(Cl)cc4[C@H]3CC[C@]12C)C(C)C ZINC000003799794 562938234 /nfs/dbraw/zinc/93/82/34/562938234.db2.gz RAYLNBXWZYCOPI-IZOJJSPNSA-N -1 0 446.031 6.156 1 0 IKAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)[O-])cc2Br)ccc1O ZINC000003816406 562938617 /nfs/dbraw/zinc/93/86/17/562938617.db2.gz FDLOBNTWQDSHPF-UHFFFAOYSA-N -1 0 444.119 5.460 1 0 IKAFRM CCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])nc2)n1 ZINC000003961824 562940161 /nfs/dbraw/zinc/94/01/61/562940161.db2.gz NDSVGELSLGUYIY-KRWDZBQOSA-N -1 0 438.549 5.120 1 0 IKAFRM CCCc1cc(C2CCCC2)ccc1OCCCOc1cccc([C@@H]2OC(=O)[N-]C2=O)c1 ZINC000003971984 562940163 /nfs/dbraw/zinc/94/01/63/562940163.db2.gz IXNIZEHCTFOTJA-DEOSSOPVSA-N -1 0 437.536 5.452 1 0 IKAFRM CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(CC(=O)[O-])cc3C(F)(F)F)cc21 ZINC000003976936 562940241 /nfs/dbraw/zinc/94/02/41/562940241.db2.gz CEEMAUWOXPURCO-UHFFFAOYSA-N -1 0 445.359 6.748 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000011687260 562979061 /nfs/dbraw/zinc/97/90/61/562979061.db2.gz ODRHDMOJZQZENN-HSZRJFAPSA-N -1 0 449.938 5.517 1 0 IKAFRM CCO[C@@H](Cc1ccc(OCCN2c3ccccc3C=Cc3ccccc32)cc1)C(=O)[O-] ZINC000012358191 562981510 /nfs/dbraw/zinc/98/15/10/562981510.db2.gz WHIIUMONQPXPQT-SANMLTNESA-N -1 0 429.516 5.420 1 0 IKAFRM CCO[C@@H](Cc1ccc(OCCN2c3ccccc3CCc3ccccc32)cc1)C(=O)[O-] ZINC000012358190 562981517 /nfs/dbraw/zinc/98/15/17/562981517.db2.gz SRDPBHFWHKEGRQ-SANMLTNESA-N -1 0 431.532 5.035 1 0 IKAFRM CCC(CC)(Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000012358298 562981637 /nfs/dbraw/zinc/98/16/37/562981637.db2.gz LXXITATZEVSASZ-UHFFFAOYSA-N -1 0 437.458 5.078 1 0 IKAFRM CCCCOc1ccc2c(c1)C(OCCCC)=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2 ZINC000013473370 562988316 /nfs/dbraw/zinc/98/83/16/562988316.db2.gz NHGFEGXMZQXXIS-QHCPKHFHSA-N -1 0 440.492 5.340 1 0 IKAFRM CCCCCCC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473455 562988325 /nfs/dbraw/zinc/98/83/25/562988325.db2.gz ZARYTOVAPPLHMX-RUZDIDTESA-N -1 0 438.520 6.145 1 0 IKAFRM CCCCSC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473449 562988337 /nfs/dbraw/zinc/98/83/37/562988337.db2.gz LGPIQVXAGIMWNU-JOCHJYFZSA-N -1 0 442.533 5.665 1 0 IKAFRM CC(C)Oc1ccc2c(c1)C(c1ccc(F)cc1)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000013473488 562988427 /nfs/dbraw/zinc/98/84/27/562988427.db2.gz RTGYNTLMGYMEDM-RUZDIDTESA-N -1 0 448.446 5.362 1 0 IKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cccc([C@@H](C)CC(=O)[O-])c2)cc1 ZINC000013474613 562988731 /nfs/dbraw/zinc/98/87/31/562988731.db2.gz MIJPMFDJDTXPFB-SFHVURJKSA-N -1 0 445.519 5.398 1 0 IKAFRM Cc1ccccc1C(=O)Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F ZINC000013489806 562990025 /nfs/dbraw/zinc/99/00/25/562990025.db2.gz VSQZHHMCQTVPFR-UHFFFAOYSA-N -1 0 427.344 5.713 1 0 IKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000013489815 562990078 /nfs/dbraw/zinc/99/00/78/562990078.db2.gz WTTVVKWEIRRULU-UHFFFAOYSA-N -1 0 447.762 6.058 1 0 IKAFRM CCC(C)(C)c1cc(/C(C)=C\C=C\C(C)=C\C(=O)[O-])c(OCC(F)F)c(C(C)(C)CC)c1 ZINC000013522274 562991313 /nfs/dbraw/zinc/99/13/13/562991313.db2.gz HHIXIADJLOVLQC-BVSJNERWSA-N -1 0 448.594 7.696 1 0 IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C\CCCC(=O)[O-])[C@H]2NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013521384 562991360 /nfs/dbraw/zinc/99/13/60/562991360.db2.gz RNTAUVHAWRJACJ-JMYZJFJOSA-N -1 0 445.603 6.335 1 0 IKAFRM CC(/C=C/C1=C(c2cc(C(C)C)cc(C(C)C)c2OCC(F)(F)F)CCC1)=C\C(=O)[O-] ZINC000013527169 562991784 /nfs/dbraw/zinc/99/17/84/562991784.db2.gz RVXMOCIUWSHBTG-BSDMPFPKSA-N -1 0 436.514 7.399 1 0 IKAFRM O=C([O-])C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2Cl)CCC1 ZINC000013534154 562992279 /nfs/dbraw/zinc/99/22/79/562992279.db2.gz FCNNFAPPEYDBMQ-UHFFFAOYSA-N -1 0 425.790 5.409 1 0 IKAFRM COc1ccccc1-n1nc(C(=O)[O-])cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000013534741 562992387 /nfs/dbraw/zinc/99/23/87/562992387.db2.gz NVPPSSQYDZGMIQ-UHFFFAOYSA-N -1 0 439.298 6.220 1 0 IKAFRM O=C1[N-]C(=O)[C@H](c2cccc(OCCCOc3ccc(Oc4ccccc4)cc3)c2)S1 ZINC000013537346 562992417 /nfs/dbraw/zinc/99/24/17/562992417.db2.gz BTMVNTBNPIYHBM-QFIPXVFZSA-N -1 0 435.501 5.351 1 0 IKAFRM C/C(=C\C[C@H]1SC(=O)[N-]C1=O)c1cccc(OCc2nc(-c3ccccc3)oc2C)c1 ZINC000013558111 562993499 /nfs/dbraw/zinc/99/34/99/562993499.db2.gz KKNOQFBEQSQHRG-RKZJEGACSA-N -1 0 434.517 5.374 1 0 IKAFRM Cc1cc(C)c(NC(=O)c2sc(=NC(=O)OC(C)(C)C)[n-]c2C(F)(F)F)c(C)c1 ZINC000013587437 562995682 /nfs/dbraw/zinc/99/56/82/562995682.db2.gz YRRVHMSTXPBZFB-UHFFFAOYSA-N -1 0 429.464 5.686 1 0 IKAFRM CCCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(F)(F)C(F)(F)F)cc1C(C)C ZINC000013587543 562995710 /nfs/dbraw/zinc/99/57/10/562995710.db2.gz CBZASUFZCYJPCI-ZHOIUTETSA-N -1 0 446.456 7.243 1 0 IKAFRM CC(/C=C/C=C(/C)c1cc(C(C)C)cc(-c2ccccc2)c1OCC(F)F)=C\C(=O)[O-] ZINC000013587545 562995740 /nfs/dbraw/zinc/99/57/40/562995740.db2.gz BAIGWCRSVOZJCQ-SPIHLYAOSA-N -1 0 426.503 7.111 1 0 IKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000013588151 562995878 /nfs/dbraw/zinc/99/58/78/562995878.db2.gz VJVCCXWNVDHBKK-UHFFFAOYSA-N -1 0 447.534 6.577 1 0 IKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNC(=O)[C@@H](C)[P@@](=O)([O-])O ZINC000013587943 562995922 /nfs/dbraw/zinc/99/59/22/562995922.db2.gz PIHDHMFGLZPELL-AUXRZACFSA-N -1 0 425.550 5.815 1 0 IKAFRM C[C@@](Cc1ccc(Cl)cc1)(Oc1ccc([C@@H]2CCSc3ccccc32)cc1)C(=O)[O-] ZINC000013604850 562997113 /nfs/dbraw/zinc/99/71/13/562997113.db2.gz CJRBXBXGHGXTQD-OFVILXPXSA-N -1 0 438.976 6.433 1 0 IKAFRM COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2CC(=O)N(C)C)cc1 ZINC000013609967 562997651 /nfs/dbraw/zinc/99/76/51/562997651.db2.gz APYFPTCHPWHPPR-UHFFFAOYSA-N -1 0 434.536 5.151 1 0 IKAFRM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2ccc(O)cc2)c(Oc2ccccc2)c1 ZINC000013611206 562997878 /nfs/dbraw/zinc/99/78/78/562997878.db2.gz NXEPOXSASDLOMN-UHFFFAOYSA-N -1 0 425.440 5.802 1 0 IKAFRM O=C([O-])c1ccc2c(c1)n(CC(=O)NCC1CC1)c(-c1ccccc1)c2C1CCCCC1 ZINC000013646566 562998771 /nfs/dbraw/zinc/99/87/71/562998771.db2.gz BJUWPLKEADEIET-UHFFFAOYSA-N -1 0 430.548 5.580 1 0 IKAFRM O=C(Nc1ccc(=O)c2c([O-])cc(-c3cccc(Cl)c3)oc1-2)c1ccccc1Cl ZINC000013661248 562999706 /nfs/dbraw/zinc/99/97/06/562999706.db2.gz QKTMGIZLWUDFQZ-UHFFFAOYSA-N -1 0 426.255 5.725 3 0 IKAFRM CC[C@@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(C(C)(C)C)cc3Cl)ccc2O1 ZINC000013671843 563000019 /nfs/dbraw/zinc/00/00/19/563000019.db2.gz HHBHDUVYOAOZPO-DEOSSOPVSA-N -1 0 432.944 5.654 1 0 IKAFRM Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)[O-])c2)c(CCc2ccccc2)[nH]1 ZINC000013674698 563000404 /nfs/dbraw/zinc/00/04/04/563000404.db2.gz DNCCKQBXYFVXBL-UHFFFAOYSA-N -1 0 425.488 5.121 1 0 IKAFRM CC(C)c1c(Cl)sc2[nH]c(=S)c(-c3cccc(Oc4ccccc4)c3)c([O-])c21 ZINC000013680059 563000892 /nfs/dbraw/zinc/00/08/92/563000892.db2.gz VDVXPLHUQWZLSY-UHFFFAOYSA-N -1 0 427.978 7.901 1 0 IKAFRM O=C([O-])c1ccc2c(c1)[C@H](SCCNC(=O)OCc1ccccc1)c1ccccc1CO2 ZINC000013727036 563001362 /nfs/dbraw/zinc/00/13/62/563001362.db2.gz ROQJMYLEOSBAKX-HSZRJFAPSA-N -1 0 449.528 5.026 1 0 IKAFRM O=C([O-])CCCOc1ccc(/C=C/c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000013727326 563001445 /nfs/dbraw/zinc/00/14/45/563001445.db2.gz MDKLZZTZRBJFJJ-OBGWFSINSA-N -1 0 425.484 6.423 1 0 IKAFRM O=C([O-])CCCCCCCn1c(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1 ZINC000013727491 563001469 /nfs/dbraw/zinc/00/14/69/563001469.db2.gz ASCKUVNZDPOULH-UHFFFAOYSA-N -1 0 430.470 6.661 1 0 IKAFRM O=C([O-])CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000013729796 563001691 /nfs/dbraw/zinc/00/16/91/563001691.db2.gz HIWNLVBKMGKUMA-UHFFFAOYSA-N -1 0 429.438 6.458 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N[C@H](C(=O)[O-])c2ccccc2C)c(C)c1 ZINC000013732529 563002043 /nfs/dbraw/zinc/00/20/43/563002043.db2.gz OAKACKCADRSBBV-VWLOTQADSA-N -1 0 442.563 5.513 1 0 IKAFRM CC(C)c1cccc(C(C)C)c1OC([O-])=NC(=O)OC(c1ccccc1)c1ccccc1 ZINC000013738022 563002736 /nfs/dbraw/zinc/00/27/36/563002736.db2.gz VXVDOLVATQUNIK-UHFFFAOYSA-N -1 0 431.532 6.948 1 0 IKAFRM O=C([O-])c1ccc([C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013741249 563003294 /nfs/dbraw/zinc/00/32/94/563003294.db2.gz JAPXAZLOWZNVRV-SANMLTNESA-N -1 0 435.523 5.617 1 0 IKAFRM CC[C@@H](C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742323 563003382 /nfs/dbraw/zinc/00/33/82/563003382.db2.gz YTMCUMKRJFCDQP-WNZNBFKUSA-N -1 0 434.536 5.898 1 0 IKAFRM CCC[C@H](C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742326 563003434 /nfs/dbraw/zinc/00/34/34/563003434.db2.gz MMBWYRZTEYSZPE-XJZVHDHVSA-N -1 0 448.563 6.288 1 0 IKAFRM CCc1cccc(CC)c1COC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000013747558 563004218 /nfs/dbraw/zinc/00/42/18/563004218.db2.gz DJRAIRXCDSLLQZ-UHFFFAOYSA-N -1 0 447.597 5.608 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000013756125 563004363 /nfs/dbraw/zinc/00/43/63/563004363.db2.gz KTPHQXMERWMSHG-NRFANRHFSA-N -1 0 447.966 5.919 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000013756122 563004406 /nfs/dbraw/zinc/00/44/06/563004406.db2.gz QFBSLAIIAGUTRC-NRFANRHFSA-N -1 0 449.501 5.544 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000013756205 563004443 /nfs/dbraw/zinc/00/44/43/563004443.db2.gz QLKODLIGDXTHEU-DEOSSOPVSA-N -1 0 441.575 5.902 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000013756166 563004460 /nfs/dbraw/zinc/00/44/60/563004460.db2.gz CMNGXYDMBZROEM-CYFREDJKSA-N -1 0 427.548 5.511 1 0 IKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(/C=C/C(=O)[O-])cc2c(-c3ccccc3)cccc12 ZINC000013758725 563004692 /nfs/dbraw/zinc/00/46/92/563004692.db2.gz MXZFIAMFUYMKSB-FOCLMDBBSA-N -1 0 449.550 5.848 1 0 IKAFRM Cc1ccccc1[C@@H](CCC(=O)[O-])Oc1cc(OCc2ccsc2)ccc1-c1ncc[nH]1 ZINC000013780337 563006417 /nfs/dbraw/zinc/00/64/17/563006417.db2.gz VSWAQUAOGPJGRX-JOCHJYFZSA-N -1 0 448.544 6.011 1 0 IKAFRM C[C@@H](Oc1ccc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000013806758 563008508 /nfs/dbraw/zinc/00/85/08/563008508.db2.gz PUBMZUOBSIJWOM-HXUWFJFHSA-N -1 0 448.518 7.210 1 0 IKAFRM CC(C)c1cccc2c(CCCCCNS(=O)(=O)c3ccccc3)cc(C(=O)[O-])c-2c1 ZINC000013826294 563010483 /nfs/dbraw/zinc/01/04/83/563010483.db2.gz FEVXIVVMDXWPGR-UHFFFAOYSA-N -1 0 439.577 5.304 1 0 IKAFRM CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ccccc1C(=O)[O-] ZINC000013832874 563011541 /nfs/dbraw/zinc/01/15/41/563011541.db2.gz AIDAQRUVMZKJKZ-UHFFFAOYSA-N -1 0 427.508 5.039 1 0 IKAFRM CCCCC1=NC2(CCC(C)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833574 563011850 /nfs/dbraw/zinc/01/18/50/563011850.db2.gz XVFLOPLAYWVMDD-UHFFFAOYSA-N -1 0 432.564 5.932 1 0 IKAFRM O=C([O-])CCCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013834850 563012073 /nfs/dbraw/zinc/01/20/73/563012073.db2.gz QZLSDKZTRILVNR-UHFFFAOYSA-N -1 0 438.520 6.140 1 0 IKAFRM O=C(Nc1ccc(=O)c2c([O-])cc(-c3cccc(Cl)c3)oc1-2)c1cccc(Cl)c1 ZINC000013879109 563013680 /nfs/dbraw/zinc/01/36/80/563013680.db2.gz IOYQVNCKQRFOEG-UHFFFAOYSA-N -1 0 426.255 5.725 3 0 IKAFRM CC(C)C[C@@H](Cc1ccccc1[S-])C(=O)N[C@H]1CCCCCCCCCCNC1=O ZINC000013888817 563013749 /nfs/dbraw/zinc/01/37/49/563013749.db2.gz YHIVCVKOSDBTGW-VXKWHMMOSA-N -1 0 432.674 5.306 1 0 IKAFRM CC[C@H](OC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000013973850 563014104 /nfs/dbraw/zinc/01/41/04/563014104.db2.gz IMZLMODVPJWIKO-DJJJIMSYSA-N -1 0 447.959 6.645 1 0 IKAFRM CCCCO[C@H](c1ccc(C(=O)[O-])cc1)c1cc2c(cc1OCC)C(C)(C)CCC2(C)C ZINC000013979951 563014157 /nfs/dbraw/zinc/01/41/57/563014157.db2.gz AVOHYTVITKNXRN-RUZDIDTESA-N -1 0 438.608 7.039 1 0 IKAFRM CCCCO[C@@H](c1ccc(C(=O)[O-])cc1)c1cc2c(cc1OCC)C(C)(C)CCC2(C)C ZINC000013979949 563014173 /nfs/dbraw/zinc/01/41/73/563014173.db2.gz AVOHYTVITKNXRN-VWLOTQADSA-N -1 0 438.608 7.039 1 0 IKAFRM Cc1cccc(Nc2ccc3c(c2)c(-c2ccccc2)c(C(=O)[O-])n3Cc2ccccc2)c1 ZINC000013980946 563014192 /nfs/dbraw/zinc/01/41/92/563014192.db2.gz DAYAROCBECHWIZ-UHFFFAOYSA-N -1 0 432.523 7.107 1 0 IKAFRM CC(C)=C(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000013981358 563014194 /nfs/dbraw/zinc/01/41/94/563014194.db2.gz LJCRCLUTGXIGOZ-UHFFFAOYSA-N -1 0 440.483 5.985 1 0 IKAFRM COc1c([C@@H](CC(C)C)OCC(C)C)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)[O-] ZINC000014721429 563014946 /nfs/dbraw/zinc/01/49/46/563014946.db2.gz RSHGBXXCFTYVDQ-OAQYLSRUSA-N -1 0 444.524 5.772 1 0 IKAFRM CC(C)c1cccc(-c2cc(Oc3c(Cl)cc(CC(=O)[O-])cc3Cl)ccc2O)c1 ZINC000014969228 563016476 /nfs/dbraw/zinc/01/64/76/563016476.db2.gz JDRBJNQCUWNMPX-UHFFFAOYSA-N -1 0 431.315 6.909 1 0 IKAFRM CC(C)(NC(=O)c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2OCC1)C(=O)[O-] ZINC000016051938 563020801 /nfs/dbraw/zinc/02/08/01/563020801.db2.gz LNQWELVSNCYKDU-UHFFFAOYSA-N -1 0 446.547 5.341 1 0 in-vivo IKAFRM O=C([O-])COc1cccc2c1CCC[C@@H]2CCCCOC(c1ccccc1)c1ccccc1 ZINC000026019522 563028691 /nfs/dbraw/zinc/02/86/91/563028691.db2.gz ZLRJZZUDGYOIIR-QFIPXVFZSA-N -1 0 444.571 6.546 1 0 IKAFRM CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](CCCCc1ccoc1)OS(=O)(=O)[O-] ZINC000026143507 563028867 /nfs/dbraw/zinc/02/88/67/563028867.db2.gz RDPFYUHFTUBDDI-GRSYGWAWSA-N -1 0 438.630 6.369 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C([P@@H](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000026395967 563031709 /nfs/dbraw/zinc/03/17/09/563031709.db2.gz UPQRKLKIHQKKRP-QQINFNOISA-N -1 0 447.600 6.172 1 0 IKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3Cl)c2c1 ZINC000026492155 563032558 /nfs/dbraw/zinc/03/25/58/563032558.db2.gz YPJCQWLTUMAXDO-INIZCTEOSA-N -1 0 426.944 6.196 1 0 IKAFRM CCO[C@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3Cl)oc2C)c1)C(=O)[O-] ZINC000026679495 563035561 /nfs/dbraw/zinc/03/55/61/563035561.db2.gz PAWOPJKHTZCKMT-JOCHJYFZSA-N -1 0 438.911 5.339 1 0 IKAFRM CCCc1c(OCCCCCCc2ccccc2CCC(=O)[O-])ccc2c1OCCC2=O ZINC000026732877 563036022 /nfs/dbraw/zinc/03/60/22/563036022.db2.gz KGSOKXYVAASSHW-UHFFFAOYSA-N -1 0 438.564 5.803 1 0 IKAFRM CC(C)C[C@@H](Cc1ccccc1[S-])C(=O)N[C@@H]1CCCCCCCCCCNC1=O ZINC000026820487 563036956 /nfs/dbraw/zinc/03/69/56/563036956.db2.gz YHIVCVKOSDBTGW-FCHUYYIVSA-N -1 0 432.674 5.306 1 0 IKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1cc(-c3ccccc3C(F)(F)F)ccc1-2 ZINC000026845589 563037596 /nfs/dbraw/zinc/03/75/96/563037596.db2.gz NOPWMXPXQXLBKN-UHFFFAOYSA-N -1 0 437.392 6.524 1 0 IKAFRM C[C@@H](CCCCCCCCCCCCc1ccc(I)cc1)C(=O)[O-] ZINC000027308866 563041305 /nfs/dbraw/zinc/04/13/05/563041305.db2.gz AQCWHQQTUBNSNU-SFHVURJKSA-N -1 0 444.397 6.846 1 0 IKAFRM O=c1c(O)c([O-])c(O)c(-c2cccc(C(F)(F)F)c2)cc1-c1cccc(C(F)(F)F)c1 ZINC000027420108 563042070 /nfs/dbraw/zinc/04/20/70/563042070.db2.gz HPEYRINIUWJGQP-UHFFFAOYSA-N -1 0 442.311 5.535 1 0 IKAFRM COc1ccc(C(=O)C[C@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)cc1 ZINC000027637304 563044906 /nfs/dbraw/zinc/04/49/06/563044906.db2.gz ZEOLLHJJLSRAQW-FQEVSTJZSA-N -1 0 436.891 5.676 1 0 IKAFRM COc1ccc(C(=O)C[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)[O-])c2)cc1 ZINC000027637298 563044915 /nfs/dbraw/zinc/04/49/15/563044915.db2.gz ZEOLLHJJLSRAQW-HXUWFJFHSA-N -1 0 436.891 5.676 1 0 IKAFRM CCCC[C@H](C(=O)[O-])N1C(=O)CS[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027842519 563047211 /nfs/dbraw/zinc/04/72/11/563047211.db2.gz GJUSKBLDPJHIIL-GGAORHGYSA-N -1 0 441.593 5.994 1 0 IKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027769610 563047226 /nfs/dbraw/zinc/04/72/26/563047226.db2.gz PVPHNBNJQXLVQM-GTCGAKFVSA-N -1 0 446.572 5.164 1 0 IKAFRM Cc1ccc(C2=CC(C)(C)Sc3cc4ccc(-c5ccc(C(=O)[O-])cc5)cc4cc32)s1 ZINC000027850253 563047245 /nfs/dbraw/zinc/04/72/45/563047245.db2.gz CXYNRDWVVCAQRD-UHFFFAOYSA-N -1 0 442.605 7.891 1 0 IKAFRM COc1ccc2c(c1)c([C@@H](C)[C@@H](C)C(=O)[O-])c(C)n2Cc1ccc(Br)cc1 ZINC000027847671 563047292 /nfs/dbraw/zinc/04/72/92/563047292.db2.gz PBGQEXIFZOQCEV-UONOGXRCSA-N -1 0 430.342 5.593 1 0 IKAFRM CCCCCCOc1c(C(C)=O)ccc(OCc2ccc(C(=O)[O-])cc2OC)c1CCC ZINC000027901582 563048329 /nfs/dbraw/zinc/04/83/29/563048329.db2.gz BMDYJVIFTPTOGN-UHFFFAOYSA-N -1 0 442.552 6.087 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@@](O)(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028000026 563049172 /nfs/dbraw/zinc/04/91/72/563049172.db2.gz KESAVSDRFTYUOI-FLDSXKOWSA-N -1 0 445.644 5.027 1 0 IKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C(C)(C)C)cc3Cl)cc2O1 ZINC000028118861 563051024 /nfs/dbraw/zinc/05/10/24/563051024.db2.gz PGLIQFLEQISCIL-RUZDIDTESA-N -1 0 446.971 6.044 1 0 IKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1 ZINC000028121066 563051148 /nfs/dbraw/zinc/05/11/48/563051148.db2.gz FGGPKBRONOYGCT-RUZDIDTESA-N -1 0 446.971 5.945 1 0 IKAFRM Cc1ccc(COC([O-])=NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 ZINC000028129081 563051301 /nfs/dbraw/zinc/05/13/01/563051301.db2.gz FMBCNTQGGGDHCQ-UHFFFAOYSA-N -1 0 435.423 5.689 1 0 IKAFRM CC(C)(CCCCCCCCCOc1ccc(CCCCc2ccccc2)cc1)C(=O)[O-] ZINC000028225704 563051834 /nfs/dbraw/zinc/05/18/34/563051834.db2.gz WNHDSTJSDPRKNI-UHFFFAOYSA-N -1 0 438.652 7.862 1 0 IKAFRM CCO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000028345549 563053025 /nfs/dbraw/zinc/05/30/25/563053025.db2.gz QTVFGQWILVTOFS-VWLOTQADSA-N -1 0 436.504 5.359 1 0 IKAFRM CCCCOc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)[O-])cn1)C(C)(C)CCC2(C)C ZINC000028387204 563054241 /nfs/dbraw/zinc/05/42/41/563054241.db2.gz RTYKCOJGCHYBLB-UHFFFAOYSA-N -1 0 433.592 6.903 1 0 IKAFRM Cc1cc2c(cccc2CC(=O)[O-])n1C(=O)c1ccc(OCCCc2ccccc2)cc1 ZINC000028390543 563054369 /nfs/dbraw/zinc/05/43/69/563054369.db2.gz WZVODYACIPKUAB-UHFFFAOYSA-N -1 0 427.500 5.277 1 0 IKAFRM CCCCOc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000028459804 563054982 /nfs/dbraw/zinc/05/49/82/563054982.db2.gz FZWKJRHENCCBHM-UHFFFAOYSA-N -1 0 432.604 7.508 1 0 IKAFRM O=C([O-])Cc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000028473302 563055661 /nfs/dbraw/zinc/05/56/61/563055661.db2.gz CSDQJTVCSKACSP-VWLOTQADSA-N -1 0 449.550 7.062 1 0 IKAFRM O=c1oc2ccccc2c([O-])c1[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Oc2ccccc21 ZINC000028475930 563055754 /nfs/dbraw/zinc/05/57/54/563055754.db2.gz FMUGUAKWPMKECV-SHQCIBLASA-N -1 0 446.502 6.821 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccc(C(C)C)cc4)oc3C)ccc21 ZINC000028565816 563058135 /nfs/dbraw/zinc/05/81/35/563058135.db2.gz HUIXGYZXJULARC-UKILVPOCSA-N -1 0 447.575 6.536 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(COc4ccccc4)oc3C)ccc21 ZINC000028565730 563058145 /nfs/dbraw/zinc/05/81/45/563058145.db2.gz OVYJLNXJESPOMP-JTHBVZDNSA-N -1 0 435.520 5.324 1 0 IKAFRM CCc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4[C@@H](CC)C(=O)[O-])c(C)o2)cc1 ZINC000028565789 563058149 /nfs/dbraw/zinc/05/81/49/563058149.db2.gz HUYAIOIUSQXLBC-VWNXMTODSA-N -1 0 433.548 5.975 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4c(F)cccc4F)oc3C)ccc21 ZINC000028566056 563058170 /nfs/dbraw/zinc/05/81/70/563058170.db2.gz JSYOCLBCSGEPPO-MJGOQNOKSA-N -1 0 441.474 5.690 1 0 IKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4c(F)cccc4F)oc3C)ccc21 ZINC000028566058 563058172 /nfs/dbraw/zinc/05/81/72/563058172.db2.gz JSYOCLBCSGEPPO-PKOBYXMFSA-N -1 0 441.474 5.690 1 0 IKAFRM O=C([O-])c1cscc1C(=O)Nc1c(F)cc(-c2ccccc2OC(F)(F)F)cc1F ZINC000028566376 563058273 /nfs/dbraw/zinc/05/82/73/563058273.db2.gz JKHJHDMKJQCYQL-UHFFFAOYSA-N -1 0 443.349 5.542 1 0 IKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cccc(OC)c4)oc3C)ccc21 ZINC000028566316 563058279 /nfs/dbraw/zinc/05/82/79/563058279.db2.gz RFRDALNUYIXSRW-GGAORHGYSA-N -1 0 435.520 5.421 1 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000028571979 563059468 /nfs/dbraw/zinc/05/94/68/563059468.db2.gz LTSCYVQPSBMCFH-MSOLQXFVSA-N -1 0 432.467 5.938 1 0 IKAFRM COc1ccc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCC3)cc2)cc1 ZINC000028572067 563059496 /nfs/dbraw/zinc/05/94/96/563059496.db2.gz ZQWPOOPPWFNRCA-UHFFFAOYSA-N -1 0 442.515 6.104 1 0 IKAFRM Cc1cc(C[C@@H]2SC(=O)[N-]C2=O)cc(C)c1N(CC1CC1)c1ccc(O)c(C(C)C)c1 ZINC000028713844 563063147 /nfs/dbraw/zinc/06/31/47/563063147.db2.gz IBXWGRUMLAYOAC-QFIPXVFZSA-N -1 0 438.593 5.575 1 0 IKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](C(=O)NCCc1ccccc1)[P@@](=O)([O-])O ZINC000028755582 563063280 /nfs/dbraw/zinc/06/32/80/563063280.db2.gz OIBLGXDNNMPQDG-MYJFIQKZSA-N -1 0 447.556 5.701 1 0 IKAFRM CCCCc1nc2ccc(C)cc2c(=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000028756104 563063358 /nfs/dbraw/zinc/06/33/58/563063358.db2.gz MOAXDUBAUFGCHT-UHFFFAOYSA-N -1 0 426.516 5.461 1 0 IKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(CC(=O)[O-])coc2c1 ZINC000028822699 563065736 /nfs/dbraw/zinc/06/57/36/563065736.db2.gz MKYMMWPWWXRSRX-UHFFFAOYSA-N -1 0 447.434 6.090 1 0 IKAFRM O=C([O-])Cc1csc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc12 ZINC000028822697 563065748 /nfs/dbraw/zinc/06/57/48/563065748.db2.gz JBPZDKKCFFLXRS-UHFFFAOYSA-N -1 0 433.407 5.781 1 0 IKAFRM O=C([O-])COCCCCN(c1cnc(-c2ccccc2)c(-c2ccccc2)n1)C1CCCC1 ZINC000028871643 563067510 /nfs/dbraw/zinc/06/75/10/563067510.db2.gz WXUWZMHUGBEWLR-UHFFFAOYSA-N -1 0 445.563 5.441 1 0 IKAFRM C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000028878865 563067684 /nfs/dbraw/zinc/06/76/84/563067684.db2.gz ZIXPSQWIRBIINS-LDTKQXNKSA-N -1 0 428.411 5.600 1 0 IKAFRM Cc1cccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])n2)c1 ZINC000028891546 563068369 /nfs/dbraw/zinc/06/83/69/563068369.db2.gz GLYPZQJNVATZPQ-NRFANRHFSA-N -1 0 445.563 5.170 1 0 IKAFRM CC(C)(Oc1ccccc1CN(CCOc1ccccc1)c1nc2ccccc2o1)C(=O)[O-] ZINC000028900573 563069005 /nfs/dbraw/zinc/06/90/05/563069005.db2.gz PFLGLIPOLQYEPA-UHFFFAOYSA-N -1 0 446.503 5.155 1 0 IKAFRM O=C([O-])CCc1ccc(OCCN(Cc2ccccc2)c2nc3ccccc3s2)cc1 ZINC000028902530 563069094 /nfs/dbraw/zinc/06/90/94/563069094.db2.gz SPZWHPUCZKTFNA-UHFFFAOYSA-N -1 0 432.545 5.399 1 0 IKAFRM Cc1ccc2nc(N(CCOc3ccc(CCC(=O)[O-])cc3)Cc3ccccc3)sc2c1 ZINC000028902563 563069097 /nfs/dbraw/zinc/06/90/97/563069097.db2.gz XYENRPCQJVVAGO-UHFFFAOYSA-N -1 0 446.572 5.708 1 0 IKAFRM Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000028951943 563069713 /nfs/dbraw/zinc/06/97/13/563069713.db2.gz AJDIYNONBYMZIF-FQEVSTJZSA-N -1 0 433.548 6.074 1 0 IKAFRM COc1ccc(-n2nc(C[C@H](C(=O)[O-])c3ccccc3)cc2-c2ccc(Cl)cc2)cc1 ZINC000028962610 563070817 /nfs/dbraw/zinc/07/08/17/563070817.db2.gz PLPUMISDCFSREE-QHCPKHFHSA-N -1 0 432.907 5.612 1 0 IKAFRM COc1ccc([C@@H](Cc2cc(-c3ccc(C)cc3)n(-c3ccc(OC)cc3)n2)C(=O)[O-])cc1 ZINC000028962663 563070837 /nfs/dbraw/zinc/07/08/37/563070837.db2.gz LLSVTIBNUFEMSS-RUZDIDTESA-N -1 0 442.515 5.276 1 0 IKAFRM COc1ccc(-n2nc(C[C@@H](C(=O)[O-])c3cccc(OC)c3)cc2-c2ccc(C)cc2)cc1 ZINC000028962644 563070843 /nfs/dbraw/zinc/07/08/43/563070843.db2.gz DSMAVTVWNCPIIP-RUZDIDTESA-N -1 0 442.515 5.276 1 0 IKAFRM CCC(CC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000029053647 563073296 /nfs/dbraw/zinc/07/32/96/563073296.db2.gz FWHFLPISTGHEIJ-HNNXBMFYSA-N -1 0 445.987 7.451 1 0 IKAFRM Cc1ccc(-c2nsc(CSc3ccc(OC(C)(C)C(=O)[O-])c(C)c3)n2)cc1C ZINC000029058105 563073606 /nfs/dbraw/zinc/07/36/06/563073606.db2.gz BIEZLHAQUMPLCK-UHFFFAOYSA-N -1 0 428.579 5.665 1 0 IKAFRM Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)sn2)ccc1OCC(=O)[O-] ZINC000029058857 563073609 /nfs/dbraw/zinc/07/36/09/563073609.db2.gz XDBYOUMFMMQXKM-UHFFFAOYSA-N -1 0 439.480 5.893 1 0 IKAFRM C[S@@](=O)c1ccc([O-])c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000029212709 563076617 /nfs/dbraw/zinc/07/66/17/563076617.db2.gz RLYFLKMEPQHYKF-NDEPHWFRSA-N -1 0 436.316 5.481 1 0 IKAFRM C[S@](=O)c1ccc([O-])c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000029212714 563076631 /nfs/dbraw/zinc/07/66/31/563076631.db2.gz RLYFLKMEPQHYKF-MUUNZHRXSA-N -1 0 436.316 5.481 1 0 IKAFRM Cc1cc(C(=O)c2ccc(Cl)cc2)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1[O-] ZINC000029229150 563076934 /nfs/dbraw/zinc/07/69/34/563076934.db2.gz ADUXNCAXRJETOM-UHFFFAOYSA-N -1 0 434.706 6.144 1 0 IKAFRM Cc1oc(-c2ccccc2)nc1COc1ccc(CCCC[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029317771 563077720 /nfs/dbraw/zinc/07/77/20/563077720.db2.gz DFBUHRMQIWJWNY-OAQYLSRUSA-N -1 0 436.533 5.293 1 0 IKAFRM Cc1c(-c2ccc(-c3ccc(Br)cc3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029332160 563078154 /nfs/dbraw/zinc/07/81/54/563078154.db2.gz IILALAZIKXQFSK-UHFFFAOYSA-N -1 0 436.280 6.477 1 0 IKAFRM Cc1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029332795 563078161 /nfs/dbraw/zinc/07/81/61/563078161.db2.gz DXLFIRZKDFPENX-UHFFFAOYSA-N -1 0 425.381 6.733 1 0 IKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2C)cc1 ZINC000029343561 563078604 /nfs/dbraw/zinc/07/86/04/563078604.db2.gz XXHLCVDUVSKHAU-XMMPIXPASA-N -1 0 429.520 5.254 1 0 IKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000029344366 563078635 /nfs/dbraw/zinc/07/86/35/563078635.db2.gz OICIRVSVHZRBNP-QHCPKHFHSA-N -1 0 449.938 5.599 1 0 IKAFRM CCCCC1=N[C@@](C)(C2CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000029411753 563079943 /nfs/dbraw/zinc/07/99/43/563079943.db2.gz LEYVDZDSQQWKII-MHZLTWQESA-N -1 0 432.564 5.932 1 0 IKAFRM CCCc1ccc(OC)c2cc(-c3ccc(-c4ccc5cc(C(=O)[O-])ccc5c4)[nH]3)oc21 ZINC000029463996 563080299 /nfs/dbraw/zinc/08/02/99/563080299.db2.gz JSGDVXFQLGTGNE-UHFFFAOYSA-N -1 0 425.484 6.907 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=C(CC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000029465631 563080312 /nfs/dbraw/zinc/08/03/12/563080312.db2.gz FXXQHWJUWVIDGU-KQUGEMQRSA-N -1 0 443.672 6.302 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C=C(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000029467364 563080363 /nfs/dbraw/zinc/08/03/63/563080363.db2.gz TXEBOZXNQWFPJZ-HGGXSKBVSA-N -1 0 429.645 5.912 1 0 IKAFRM CCC[C@H](C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OC)c2c1)C1CCCC1 ZINC000029472340 563080702 /nfs/dbraw/zinc/08/07/02/563080702.db2.gz VOXAHRHQRQNQRC-QHCPKHFHSA-N -1 0 448.563 5.941 1 0 IKAFRM CC[C@@H](C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OC)c2c1)c1ccccc1 ZINC000029478975 563080915 /nfs/dbraw/zinc/08/09/15/563080915.db2.gz RELQNBCHDGHZTK-HSZRJFAPSA-N -1 0 442.515 5.529 1 0 IKAFRM COc1cc(C(=O)[O-])ccc1Cn1ccc2ccc(NC(=O)CCCc3ccccc3)cc21 ZINC000029479430 563080989 /nfs/dbraw/zinc/08/09/89/563080989.db2.gz IRPCMRPKMQLUKB-UHFFFAOYSA-N -1 0 442.515 5.358 1 0 IKAFRM CC[C@@H](C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OC)c2c1)C1CCCCC1 ZINC000029482917 563081247 /nfs/dbraw/zinc/08/12/47/563081247.db2.gz JRPLXFUMVYKCNV-HSZRJFAPSA-N -1 0 448.563 5.941 1 0 IKAFRM CCCCCc1ccc(S(=O)(=O)N[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C/C=C\CCCC(=O)[O-])cc1 ZINC000029549600 563081825 /nfs/dbraw/zinc/08/18/25/563081825.db2.gz MDTPYVNMABFTDT-HPBSYCNDSA-N -1 0 447.641 5.314 1 0 IKAFRM CC(C)C1=C2CC[C@]3(C)[C@H](CC=C4[C@H]5CC(C)(C)CC[C@@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC1 ZINC000029551462 563081957 /nfs/dbraw/zinc/08/19/57/563081957.db2.gz SCWUSJKROXGXMP-CZJWSHLPSA-N -1 0 438.696 8.183 1 0 IKAFRM COc1cccc(Sc2c(C)onc2[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000029552236 563081973 /nfs/dbraw/zinc/08/19/73/563081973.db2.gz KLFINGCZCPDXNB-UHFFFAOYSA-N -1 0 432.567 5.241 1 0 IKAFRM [O-]c1c(-c2n[nH]c(-c3ccc(Cl)c(Cl)c3)n2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000029569063 563082807 /nfs/dbraw/zinc/08/28/07/563082807.db2.gz JJSWQSNPKISCGL-UHFFFAOYSA-N -1 0 442.146 6.189 1 0 IKAFRM O=S(=O)(CC(F)(F)F)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[n-]1 ZINC000034077341 563085457 /nfs/dbraw/zinc/08/54/57/563085457.db2.gz WOSUEQAPJZGKGP-UHFFFAOYSA-N -1 0 435.254 5.387 1 0 IKAFRM 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)CCC[C@]43C)[C@@H]2C1 ZINC000034247937 563085953 /nfs/dbraw/zinc/08/59/53/563085953.db2.gz MXEMKMNFLXVQBW-CDNBJWEZSA-N -1 0 440.712 8.263 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(C(=O)[O-])=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000034307321 563086119 /nfs/dbraw/zinc/08/61/19/563086119.db2.gz NCWQYNLGWWNVRY-JRZBRKEGSA-N -1 0 427.629 5.832 1 0 IKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CO[C@H]1CCCN(c2cccc(C(=O)[O-])c2)C1 ZINC000034631012 563086587 /nfs/dbraw/zinc/08/65/87/563086587.db2.gz POVWNJCKOJFNDM-FQEVSTJZSA-N -1 0 442.968 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AFYZMYCLFAICHU-SGNNQLCQSA-N -1 0 429.576 5.642 1 0 IKAFRM Cc1ccc(C2=CCC(C)(C)c3cc(C4=NO[C@@H](c5ccc(C(=O)[O-])cc5)C4)ccc32)cc1 ZINC000071280774 563161448 /nfs/dbraw/zinc/16/14/48/563161448.db2.gz HMEUJWHCAZDZME-HHHXNRCGSA-N -1 0 437.539 6.672 1 0 IKAFRM Cc1ccc(C2=CCC(C)(C)c3cc(C4=NO[C@H](c5ccc(C(=O)[O-])cc5)C4)ccc32)cc1 ZINC000071280772 563161449 /nfs/dbraw/zinc/16/14/49/563161449.db2.gz HMEUJWHCAZDZME-MHZLTWQESA-N -1 0 437.539 6.672 1 0 IKAFRM CCCC[C@H](Cc1cc(OCCc2ccccc2)ccc1OCCc1ccccc1)C(=O)[O-] ZINC000072113120 563163515 /nfs/dbraw/zinc/16/35/15/563163515.db2.gz OBQTVQRLGOQNRJ-RUZDIDTESA-N -1 0 446.587 6.363 1 0 IKAFRM CCCC[C@@H](Cc1ccc(OCCc2ccccc2)c(OCCc2ccccc2)c1)C(=O)[O-] ZINC000072113152 563163536 /nfs/dbraw/zinc/16/35/36/563163536.db2.gz FUZCBCREAXGPEI-SANMLTNESA-N -1 0 446.587 6.363 1 0 IKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](OC(C)C)C(=O)[O-])ccc2o1 ZINC000072114290 563163674 /nfs/dbraw/zinc/16/36/74/563163674.db2.gz VXSQONITHCPVBD-QHCPKHFHSA-N -1 0 448.519 5.387 1 0 IKAFRM COc1ccc([C@@H](c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(O)ccc3ccccc32)cc1 ZINC000072118252 563163747 /nfs/dbraw/zinc/16/37/47/563163747.db2.gz IWGCYALDYJWFJW-SANMLTNESA-N -1 0 436.511 5.522 1 0 IKAFRM O=C([O-])c1c(-c2cccc(Cl)c2)c2cc(Cl)ccc2n1Cc1cccc(Cl)c1 ZINC000072140946 563164501 /nfs/dbraw/zinc/16/45/01/563164501.db2.gz ROHSGLMSSHIWQA-UHFFFAOYSA-N -1 0 430.718 7.015 1 0 IKAFRM Cc1ccc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc4c3c2)s1 ZINC000073222962 563170812 /nfs/dbraw/zinc/17/08/12/563170812.db2.gz DKEROQXIMVSLEZ-NRFANRHFSA-N -1 0 443.546 5.010 1 0 IKAFRM C/C1=C/CC[C@]2(C)[C@@H]([C@@H](C)/C=C/C(C)C)CC[C@@H]2c2ccc(cc2C(=O)[O-])C[C@@H](O)CC1 ZINC000073417840 563172821 /nfs/dbraw/zinc/17/28/21/563172821.db2.gz BYSDVQRGPLYEPF-FCAGHEAMSA-N -1 0 438.652 7.157 1 0 IKAFRM CC(C)Oc1ccc(-c2noc(-c3ccc(N[C@H]4CC[C@H](C(=O)[O-])C4)cc3)n2)cc1Cl ZINC000073405822 563172834 /nfs/dbraw/zinc/17/28/34/563172834.db2.gz BUDUKLTWKFDUDT-WMZOPIPTSA-N -1 0 441.915 5.509 1 0 IKAFRM COC(=O)c1cc(/C=C/C(=O)[O-])ccc1-c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000082148897 563173018 /nfs/dbraw/zinc/17/30/18/563173018.db2.gz PSLJPTHUFMEUHD-XVNBXDOJSA-N -1 0 432.516 5.411 1 0 IKAFRM O=C([O-])CCCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 ZINC000082154661 563173563 /nfs/dbraw/zinc/17/35/63/563173563.db2.gz AKZSHTFFWDWNND-UHFFFAOYSA-N -1 0 447.535 5.854 1 0 IKAFRM O=C([O-])CCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 ZINC000082156123 563173666 /nfs/dbraw/zinc/17/36/66/563173666.db2.gz KOPIRZFQEIFTSN-UHFFFAOYSA-N -1 0 432.520 5.985 1 0 IKAFRM O=S1(=O)[N-]c2c(-c3ccc(Cl)cc3)nn(-c3cccc(F)c3)c2-c2ccccc21 ZINC000084670199 563175127 /nfs/dbraw/zinc/17/51/27/563175127.db2.gz CFIIWIIINHBOSA-UHFFFAOYSA-N -1 0 425.872 5.113 1 0 IKAFRM O=C([O-])[C@@H]1CSc2c(-c3cccs3)c(COc3cccc4ccccc43)cc(=O)n21 ZINC000084708942 563177094 /nfs/dbraw/zinc/17/70/94/563177094.db2.gz PJXSSYWWJRDYOZ-KRWDZBQOSA-N -1 0 435.526 5.040 1 0 IKAFRM COc1c(=O)c2c(O)cc([O-])cc2oc1-c1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1 ZINC000084713607 563177797 /nfs/dbraw/zinc/17/77/97/563177797.db2.gz OABSCYOEXNPPTI-UHFFFAOYSA-N -1 0 436.504 5.603 1 0 IKAFRM C/C(=C\CSCCC(=O)[O-])CCn1cc(CCc2ccc(-c3ccccc3)cc2)nn1 ZINC000084724276 563178127 /nfs/dbraw/zinc/17/81/27/563178127.db2.gz UZWYOSKWAMYNLI-XSFVSMFZSA-N -1 0 435.593 5.275 1 0 IKAFRM Cc1ccc(NC(=O)c2ccc3[nH]c(-c4c(C)cc(OCC(=O)[O-])cc4C)nc3c2)cc1C ZINC000084729250 563178407 /nfs/dbraw/zinc/17/84/07/563178407.db2.gz SNTCIFKVANLNAU-UHFFFAOYSA-N -1 0 443.503 5.179 1 0 IKAFRM O=C([O-])c1c2cc(OCc3cccc(Cl)c3)ccc2oc1-c1ccc2ccccc2c1 ZINC000084758258 563179556 /nfs/dbraw/zinc/17/95/56/563179556.db2.gz PDUYDVLIUPDCCD-UHFFFAOYSA-N -1 0 428.871 7.184 1 0 IKAFRM Cc1ccc(-c2oc3ccc(OCc4cccc(C(F)(F)F)c4)cc3c2C(=O)[O-])cc1 ZINC000084758143 563179557 /nfs/dbraw/zinc/17/95/57/563179557.db2.gz UAIOPURJMNVIBA-UHFFFAOYSA-N -1 0 426.390 6.704 1 0 IKAFRM CC(C)Oc1ncc(-c2nc3cc(CCCCCC(=O)[O-])cnc3o2)cc1C(F)(F)F ZINC000084758333 563179610 /nfs/dbraw/zinc/17/96/10/563179610.db2.gz KDPNCIKLTGSTOJ-UHFFFAOYSA-N -1 0 437.418 5.278 1 0 IKAFRM Cc1cccc(S(=O)(=O)[N-]c2cnc(Oc3cnc4ccccc4c3)c(Cl)c2)c1 ZINC000095573557 563185157 /nfs/dbraw/zinc/18/51/57/563185157.db2.gz UQHNHJXQLUFMAZ-UHFFFAOYSA-N -1 0 425.897 5.185 1 0 IKAFRM Cc1c(OCc2cccc(-c3ccccc3)c2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000095574616 563185435 /nfs/dbraw/zinc/18/54/35/563185435.db2.gz IRPTXRSHRFVWMZ-UHFFFAOYSA-N -1 0 428.484 5.673 1 0 IKAFRM O=C([O-])C[C@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O ZINC000095576270 563185917 /nfs/dbraw/zinc/18/59/17/563185917.db2.gz OMAPWASVHLHIRY-NQSCKRDGSA-N -1 0 432.347 5.552 1 0 in-vitro IKAFRM O=C([O-])c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1O ZINC000095577488 563186293 /nfs/dbraw/zinc/18/62/93/563186293.db2.gz HLQQHKJXQSBRLN-UHFFFAOYSA-N -1 0 443.499 5.235 1 0 IKAFRM O=S(=O)([N-]c1ncns1)c1ccc(Oc2ccccc2-c2ccccc2)c(Cl)c1 ZINC000095585691 563188946 /nfs/dbraw/zinc/18/89/46/563188946.db2.gz QTQNTKQBPRDSCA-UHFFFAOYSA-N -1 0 443.937 5.452 1 0 IKAFRM Cc1ccc(-c2cc(-c3ccccc3OCCCCC(=O)[O-])nn2-c2ccccc2)cc1 ZINC000095589839 563189821 /nfs/dbraw/zinc/18/98/21/563189821.db2.gz ICCHTYMOWLJBJR-UHFFFAOYSA-N -1 0 426.516 6.148 1 0 IKAFRM O=C([O-])c1c2ccccc2nc(C2CC2)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000095590958 563190200 /nfs/dbraw/zinc/19/02/00/563190200.db2.gz OHJBFBJXYICVBU-UHFFFAOYSA-N -1 0 447.498 5.248 1 0 IKAFRM O=C([O-])CCC(=O)Nc1ccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc32)cc1 ZINC000096174246 563196079 /nfs/dbraw/zinc/19/60/79/563196079.db2.gz ZTMKPXUZAMIYCW-UHFFFAOYSA-N -1 0 427.456 5.388 1 0 IKAFRM O=C([O-])C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(-c2ccc(F)cc2Cl)c1)O3 ZINC000096269856 563196629 /nfs/dbraw/zinc/19/66/29/563196629.db2.gz JPTXYNMLYMHISJ-CMJOXMDJSA-N -1 0 440.854 5.609 1 0 IKAFRM O=C([O-])c1cc2ccc(N3C(=S)N=NC3c3cccc(Oc4ccccc4)c3)cc2s1 ZINC000096273185 563196826 /nfs/dbraw/zinc/19/68/26/563196826.db2.gz IBHXSCHGCDJXRT-UHFFFAOYSA-N -1 0 445.525 5.928 1 0 IKAFRM O=C([O-])c1ccc(F)cc1NC(=O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1 ZINC000096938208 563199753 /nfs/dbraw/zinc/19/97/53/563199753.db2.gz JRDZLCXXVCBNNU-UHFFFAOYSA-N -1 0 427.431 6.236 1 0 IKAFRM C/C(=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CC/C=C(\C)C(=O)[O-] ZINC000085588865 571783847 /nfs/dbraw/zinc/78/38/47/571783847.db2.gz UJMZKOBSLDXUHY-YQHRJHOASA-N -1 0 440.624 7.357 1 0 endogenous,in-man IKAFRM C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)[O-] ZINC000261496140 571861758 /nfs/dbraw/zinc/86/17/58/571861758.db2.gz GYJSAWZGYQXRBS-MAVBXTFRSA-N -1 0 432.645 5.424 1 0 endogenous,in-man IKAFRM C[C@H](CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3O)C(=O)[O-] ZINC000261496139 571861896 /nfs/dbraw/zinc/86/18/96/571861896.db2.gz GYJSAWZGYQXRBS-KEUMHRCBSA-N -1 0 432.645 5.424 1 0 endogenous,in-man IKAFRM C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040164222 574414460 /nfs/dbraw/zinc/41/44/60/574414460.db2.gz ITZYGDKGRKKBSN-IUXIIYGSSA-N -1 0 434.661 5.504 1 0 endogenous,in-man IKAFRM C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040164220 574414474 /nfs/dbraw/zinc/41/44/74/574414474.db2.gz ITZYGDKGRKKBSN-YVOLSAKWSA-N -1 0 434.661 5.504 1 0 endogenous,in-man IKAFRM CC(C)[C@@H](C)OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)cnn1C ZINC000095576317 541108239 /nfs/dbraw/zinc/10/82/39/541108239.db2.gz XLVNHZFCUDYJSE-QGZVFWFLSA-N -1 0 447.535 5.463 1 0 IKAFRM 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](C[C@@H]3C)C1(C)C ZINC000095911424 291397047 /nfs/dbraw/zinc/39/70/47/291397047.db2.gz OZWKDZYKDNCTPT-AZVSDANLSA-N -1 0 440.580 5.712 1 0 biogenic,in-vitro IKAFRM 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)CCC[C@@]34C)[C@@H]2C1 ZINC000059587745 291398171 /nfs/dbraw/zinc/39/81/71/291398171.db2.gz MXEMKMNFLXVQBW-LNVXMQETSA-N -1 0 440.712 8.263 1 0 biogenic,in-vitro IKAFRM CCCCC[C@@H](O)/C=C\CCCCC[C@H](CC(=O)[O-])CC1(c2ccccc2)CCCC1 ZINC000085505964 291402849 /nfs/dbraw/zinc/40/28/49/291402849.db2.gz OAOCEVAYSWPAAE-OAPDKXAGSA-N -1 0 428.657 7.427 1 0 biogenic,in-vitro IKAFRM CCC[C@@H]1c2c([O-])c(C=O)c(O)c(C=O)c2O[C@@]2(C)CC[C@@H]3[C@H](/C=C(/C)CC[C@H]12)C3(C)C ZINC000103580595 560051768 /nfs/dbraw/zinc/05/17/68/560051768.db2.gz LZDASMNEKHYMBI-SSGJUDJGSA-N -1 0 440.580 6.166 1 0 biogenic,in-vitro IKAFRM CC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1)C(=O)[O-] ZINC000000590166 562918359 /nfs/dbraw/zinc/91/83/59/562918359.db2.gz VYRQBJZRNPNASW-FQEVSTJZSA-N -1 0 433.504 5.071 1 0 IKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000000603739 562918684 /nfs/dbraw/zinc/91/86/84/562918684.db2.gz CQECYVMYMPYNBF-GOSISDBHSA-N -1 0 445.519 5.398 1 0 IKAFRM O=C([O-])c1c2ccccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000000833553 562919227 /nfs/dbraw/zinc/91/92/27/562919227.db2.gz UVTFLTXWSSGYFE-UHFFFAOYSA-N -1 0 449.470 5.450 1 0 investigational IKAFRM O=C([O-])COc1cccc(-c2n[nH]cc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000001484154 562922147 /nfs/dbraw/zinc/92/21/47/562922147.db2.gz CLWQOXUVAAXGTO-UHFFFAOYSA-N -1 0 437.455 5.529 1 0 IKAFRM O=C([O-])[C@@H]1Cc2c(cccc2-c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000001537608 562922564 /nfs/dbraw/zinc/92/25/64/562922564.db2.gz QKYLPODJLPEBMX-MHZLTWQESA-N -1 0 447.534 5.524 1 0 IKAFRM O=C([O-])[C@H]1Cc2cc(-c3ccccc3)ccc2CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000001537611 562922576 /nfs/dbraw/zinc/92/25/76/562922576.db2.gz QUEDIBYBBUOWGZ-HHHXNRCGSA-N -1 0 447.534 5.524 1 0 IKAFRM Cc1ccc(C2=CCC(C)(C)c3ccc(C(=O)Nc4cc(F)c(C(=O)[O-])c(F)c4)cc32)cc1 ZINC000001895368 562925305 /nfs/dbraw/zinc/92/53/05/562925305.db2.gz MCFSZZMHXZSCHD-UHFFFAOYSA-N -1 0 447.481 6.337 1 0 IKAFRM CCCc1c(COc2ccc(C(=O)CC(C)(C)CC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000002013011 562925624 /nfs/dbraw/zinc/92/56/24/562925624.db2.gz ANWAQRSDVXLJLR-UHFFFAOYSA-N -1 0 426.509 5.200 1 0 IKAFRM CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000003818818 562938716 /nfs/dbraw/zinc/93/87/16/562938716.db2.gz WDIPTEIUSFFSDV-WEMQTCASSA-N -1 0 438.530 7.213 1 0 IKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCCC4)cc3Cl)cc2O1 ZINC000003989109 562940506 /nfs/dbraw/zinc/94/05/06/562940506.db2.gz OOZNMURDAKWFQS-RUZDIDTESA-N -1 0 444.955 6.014 1 0 IKAFRM COc1c(CC=C(C)C)c2c(c3oc(=O)c(-c4ccc(O)cc4)c([O-])c13)C=CC(C)(C)O2 ZINC000004175459 562942534 /nfs/dbraw/zinc/94/25/34/562942534.db2.gz AAKJUGSASOCUFQ-UHFFFAOYSA-N -1 0 434.488 5.573 1 0 biogenic,in-vitro IKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C\CCCC(=O)[O-])[C@H]2NC(=O)c1cccc2ccsc21 ZINC000004393940 562943230 /nfs/dbraw/zinc/94/32/30/562943230.db2.gz PRAQOLJQDLFDPN-QDZVRNECSA-N -1 0 425.594 5.883 1 0 IKAFRM O=C(CCCCCCCOc1ncc(Cc2cccnc2)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000006142671 562946309 /nfs/dbraw/zinc/94/63/09/562946309.db2.gz PTFRGUTVLMFZIO-UHFFFAOYSA-N -1 0 439.943 5.424 1 0 IKAFRM CCCC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000012358044 562981511 /nfs/dbraw/zinc/98/15/11/562981511.db2.gz HVFLCVYXHRKXGN-QGZVFWFLSA-N -1 0 437.458 5.078 1 0 IKAFRM CCCC[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000012358043 562981494 /nfs/dbraw/zinc/98/14/94/562981494.db2.gz HVFLCVYXHRKXGN-KRWDZBQOSA-N -1 0 437.458 5.078 1 0 IKAFRM O=C([O-])c1cc(OCCc2ccsc2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000012358144 562981508 /nfs/dbraw/zinc/98/15/08/562981508.db2.gz KHZMMMNYHGINGK-UHFFFAOYSA-N -1 0 436.316 5.627 1 0 IKAFRM CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000012358586 562981748 /nfs/dbraw/zinc/98/17/48/562981748.db2.gz HQECXVSQKONBDF-VWLOTQADSA-N -1 0 426.553 6.176 1 0 IKAFRM COc1cccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c3c(c2CCC(=O)[O-])CCCC3)c1 ZINC000012404519 562981893 /nfs/dbraw/zinc/98/18/93/562981893.db2.gz FUXHNAHZJZOIIP-JCMHNJIXSA-N -1 0 442.515 5.079 1 0 IKAFRM COc1cccc(OC)c1-c1ccc(C[C@H](Nc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000013439256 562986128 /nfs/dbraw/zinc/98/61/28/562986128.db2.gz LNBVIKRDKWFEFG-IBGZPJMESA-N -1 0 446.330 5.785 1 0 IKAFRM Cc1c(C)c(Br)c(C)c([C@@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1O ZINC000013456339 562987679 /nfs/dbraw/zinc/98/76/79/562987679.db2.gz ISGDYOVPYAVNAK-SFHVURJKSA-N -1 0 437.349 6.386 1 0 IKAFRM CCCCC(=O)c1c(C)c(C)c(O)c([C@@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1C ZINC000013456368 562987713 /nfs/dbraw/zinc/98/77/13/562987713.db2.gz VQDJPRGGJLXJQO-QFIPXVFZSA-N -1 0 442.571 6.996 1 0 IKAFRM COc1ccccc1Sc1cc(C)c(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000013470580 562987787 /nfs/dbraw/zinc/98/77/87/562987787.db2.gz BRMQBGPGBBZFFH-BQYQJAHWSA-N -1 0 445.968 5.145 1 0 IKAFRM COC(=O)c1cccc(-c2ccc(NC(=O)c3cccc([S-])c3)cc2-c2ccccc2)c1 ZINC000013471862 562987850 /nfs/dbraw/zinc/98/78/50/562987850.db2.gz MNPUSLWOAIAZFS-UHFFFAOYSA-N -1 0 439.536 6.348 1 0 IKAFRM CCCCCOC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 ZINC000013473437 562988314 /nfs/dbraw/zinc/98/83/14/562988314.db2.gz FQYGJVMROUFQER-HSZRJFAPSA-N -1 0 440.492 5.339 1 0 IKAFRM CCCCOc1ccc2c(c1)C(OCCCC)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000013473369 562988315 /nfs/dbraw/zinc/98/83/15/562988315.db2.gz NHGFEGXMZQXXIS-HSZRJFAPSA-N -1 0 440.492 5.340 1 0 IKAFRM COc1ccc(C2=C(C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)Oc3ccc(C(C)C)cc32)cc1 ZINC000013473389 562988336 /nfs/dbraw/zinc/98/83/36/562988336.db2.gz ILKOXQHPEWLJQB-AREMUKBSSA-N -1 0 444.483 5.568 1 0 IKAFRM O=C1[N-]C(=O)[C@@H](c2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2)S1 ZINC000013489932 562990119 /nfs/dbraw/zinc/99/01/19/562990119.db2.gz PRNUTUAJBKBRMG-JOCHJYFZSA-N -1 0 435.501 5.351 1 0 IKAFRM CC1(C)[C@@H]2C[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000013521399 562991353 /nfs/dbraw/zinc/99/13/53/562991353.db2.gz FGTIZCIMMGVKNA-LGOKGUEOSA-N -1 0 445.603 6.335 1 0 IKAFRM CC(/C=C/c1sccc1-c1cc(C(C)C)cc(C(C)C)c1OCCCF)=C\C(=O)[O-] ZINC000013527138 562991822 /nfs/dbraw/zinc/99/18/22/562991822.db2.gz APFANXIWFMCXJQ-OZOLYBCPSA-N -1 0 430.585 7.444 1 0 IKAFRM O=C([O-])[C@H]1C[C@H]1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 ZINC000013554044 562993041 /nfs/dbraw/zinc/99/30/41/562993041.db2.gz DCYHRPUPJCRAGG-ZEQRLZLVSA-N -1 0 426.537 6.849 1 0 IKAFRM O=C([O-])[C@H]1C[C@@H]1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 ZINC000013554043 562993043 /nfs/dbraw/zinc/99/30/43/562993043.db2.gz DCYHRPUPJCRAGG-RPWUZVMVSA-N -1 0 426.537 6.849 1 0 IKAFRM C[C@H](Cc1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1)C(=O)[O-] ZINC000013554039 562993078 /nfs/dbraw/zinc/99/30/78/562993078.db2.gz LQHOQNMRXOSDNF-LJQANCHMSA-N -1 0 428.553 6.924 1 0 IKAFRM Cc1ccc2nc(/C=C/c3cccc4cc([N-]S(=O)(=O)C(F)(F)F)ccc34)ccc2c1 ZINC000013560074 562994098 /nfs/dbraw/zinc/99/40/98/562994098.db2.gz FIDJZFZEZZSPRA-SOFGYWHQSA-N -1 0 442.462 6.128 1 0 IKAFRM O=S(=O)([N-]c1ccc2c(/C=C/c3cccc(C(F)(F)F)c3)cccc2c1)C(F)(F)F ZINC000013560083 562994111 /nfs/dbraw/zinc/99/41/11/562994111.db2.gz AODCPCXAXXTYQH-BQYQJAHWSA-N -1 0 445.384 6.291 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c(C(=O)[O-])cnc3ccccc32)cc1 ZINC000013560847 562994270 /nfs/dbraw/zinc/99/42/70/562994270.db2.gz BBIRQLGPAHOEOT-UHFFFAOYSA-N -1 0 436.515 5.572 1 0 IKAFRM O=C([O-])C(=O)c1cn(Cc2ccccc2)c2c1cccc2-c1ccc(OC(F)(F)F)cc1 ZINC000013580630 562994476 /nfs/dbraw/zinc/99/44/76/562994476.db2.gz ZTOATOICLCJKOI-UHFFFAOYSA-N -1 0 439.389 5.523 1 0 IKAFRM COc1cccc(-c2ccc3c(c2)c(C(=O)C(=O)[O-])cn3Cc2ccc(C(C)(C)C)cc2)c1 ZINC000013580620 562994511 /nfs/dbraw/zinc/99/45/11/562994511.db2.gz FKPKSNRNGMWMDA-UHFFFAOYSA-N -1 0 441.527 5.930 1 0 IKAFRM CC(C)CCC[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 ZINC000013583424 562994968 /nfs/dbraw/zinc/99/49/68/562994968.db2.gz VHSCWUOENVSGKM-OHPSOFBHSA-N -1 0 444.700 7.498 1 0 IKAFRM CC(/C=C/C=C(/C)c1cc(-c2ccc(F)cc2)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013587541 562995708 /nfs/dbraw/zinc/99/57/08/562995708.db2.gz JMSNTCCDXKQCFG-QIBCAMHUSA-N -1 0 444.493 7.250 1 0 IKAFRM CC(/C=C/C=C(/C)c1cc(-c2cccs2)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013587538 562995722 /nfs/dbraw/zinc/99/57/22/562995722.db2.gz DVYKPLHNGRWMAH-JCBBLABWSA-N -1 0 432.532 7.173 1 0 IKAFRM CC(/C=C/C=C(/C)c1cc(-c2ccccc2F)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013587536 562995723 /nfs/dbraw/zinc/99/57/23/562995723.db2.gz PHZXUKHBCDQECD-PVINZEOUSA-N -1 0 444.493 7.250 1 0 IKAFRM CC(/C=C/C=C(/C)c1cc(-c2cccc(F)c2)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013587537 562995726 /nfs/dbraw/zinc/99/57/26/562995726.db2.gz PSKQZFWERLNHPW-WBDHESBHSA-N -1 0 444.493 7.250 1 0 IKAFRM CCCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(C)C)cc1C(F)(F)C(F)(F)F ZINC000013587546 562995744 /nfs/dbraw/zinc/99/57/44/562995744.db2.gz QZNALCLAYUARIR-ZHOIUTETSA-N -1 0 446.456 7.243 1 0 IKAFRM O=C([O-])c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013643155 562998572 /nfs/dbraw/zinc/99/85/72/562998572.db2.gz VIPZGFVAWMFKDS-QHCPKHFHSA-N -1 0 435.523 7.133 1 0 IKAFRM CCCCOC(=O)Nc1ccc2c(Cl)cn(Cc3ccc(C(=O)[O-])cc3OC)c2c1 ZINC000013650698 562999063 /nfs/dbraw/zinc/99/90/63/562999063.db2.gz KDVNLNKIUQATKQ-UHFFFAOYSA-N -1 0 430.888 5.398 1 0 IKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)nc(-c1ccc(C(=O)[O-])cc1)n3Cc1ccccc1 ZINC000013651737 562999238 /nfs/dbraw/zinc/99/92/38/562999238.db2.gz MRIBUJRFCKBYIT-UHFFFAOYSA-N -1 0 438.571 6.799 1 0 IKAFRM O=C([O-])COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)c(CO)oc21 ZINC000013671554 562999900 /nfs/dbraw/zinc/99/99/00/562999900.db2.gz PXFUYKMANFDTAA-UHFFFAOYSA-N -1 0 448.540 5.454 1 0 IKAFRM O=C([O-])COc1cccc2c(CCSCCC(c3ccccc3)c3ccccc3)coc21 ZINC000013671544 562999907 /nfs/dbraw/zinc/99/99/07/562999907.db2.gz PRUOHOABSYWLOL-UHFFFAOYSA-N -1 0 446.568 6.394 1 0 IKAFRM O=C([O-])COc1cccc2c(CCCSCC(c3ccccc3)c3ccccc3)coc21 ZINC000013671548 562999918 /nfs/dbraw/zinc/99/99/18/562999918.db2.gz HZRIEXOWFAZLDB-UHFFFAOYSA-N -1 0 446.568 6.394 1 0 IKAFRM CC[C@]1(C(=O)[O-])Cc2cc(OCCCOc3ccc(C(C)(C)C)cc3Cl)ccc2O1 ZINC000013671846 563000034 /nfs/dbraw/zinc/00/00/34/563000034.db2.gz HHBHDUVYOAOZPO-XMMPIXPASA-N -1 0 432.944 5.654 1 0 IKAFRM O=C([O-])c1cccc(NC(=O)c2nc(C3CC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674735 563000371 /nfs/dbraw/zinc/00/03/71/563000371.db2.gz ZFCACPUIPUTNRV-UHFFFAOYSA-N -1 0 433.552 5.387 1 0 IKAFRM Cc1ccccc1-c1nc(C(=O)Nc2cccc(C(=O)[O-])c2)c(CCC2CCCCC2)[nH]1 ZINC000013674696 563000374 /nfs/dbraw/zinc/00/03/74/563000374.db2.gz SKUFNCMKIZKKOD-UHFFFAOYSA-N -1 0 431.536 5.849 1 0 IKAFRM CC(C)(CCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1)C(=O)[O-] ZINC000013726667 563001404 /nfs/dbraw/zinc/00/14/04/563001404.db2.gz KCPVSOFACKEMON-UHFFFAOYSA-N -1 0 434.645 7.804 1 0 IKAFRM COc1c(/C=C/c2nc(-c3ccccc3)c(-c3ccccc3)o2)cccc1OCC(=O)[O-] ZINC000013727338 563001446 /nfs/dbraw/zinc/00/14/46/563001446.db2.gz XGNJRYJOVMIEPW-FOCLMDBBSA-N -1 0 427.456 5.651 1 0 IKAFRM COc1ccc(OCC(=O)[O-])cc1CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013727362 563001457 /nfs/dbraw/zinc/00/14/57/563001457.db2.gz BNLBXLULULVYAE-UHFFFAOYSA-N -1 0 429.472 5.266 1 0 IKAFRM COc1ccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OCC(=O)[O-] ZINC000013727359 563001467 /nfs/dbraw/zinc/00/14/67/563001467.db2.gz SXDBGERUKJXWAF-UHFFFAOYSA-N -1 0 429.472 5.266 1 0 IKAFRM COc1ccc(OCC(=O)[O-])cc1/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013727344 563001513 /nfs/dbraw/zinc/00/15/13/563001513.db2.gz ZCMCMTSNRPLPTE-NTCAYCPXSA-N -1 0 427.456 5.651 1 0 IKAFRM COc1c(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cccc1OCC(=O)[O-] ZINC000013727356 563001535 /nfs/dbraw/zinc/00/15/35/563001535.db2.gz GWKIULRQNZTGEF-UHFFFAOYSA-N -1 0 429.472 5.266 1 0 IKAFRM COc1ccccc1CCCCc1c([O-])c2ccc(OCc3ccccc3)cc2oc1=O ZINC000013738207 563002793 /nfs/dbraw/zinc/00/27/93/563002793.db2.gz WQRIFYAPCLXKEQ-UHFFFAOYSA-N -1 0 430.500 5.652 1 0 IKAFRM CCCCn1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742317 563003383 /nfs/dbraw/zinc/00/33/83/563003383.db2.gz SRSJPOBTUQPEGI-HTXNQAPBSA-N -1 0 434.536 5.727 1 0 IKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2CC(C)C)c1 ZINC000013742320 563003411 /nfs/dbraw/zinc/00/34/11/563003411.db2.gz YKBVZUOYBGRDHS-XDJHFCHBSA-N -1 0 434.536 5.583 1 0 IKAFRM CCCCCn1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742318 563003423 /nfs/dbraw/zinc/00/34/23/563003423.db2.gz BTFBFGVGTPPUKN-CZIZESTLSA-N -1 0 448.563 6.117 1 0 IKAFRM O=C([O-])c1ccc2cc(-c3ccc([C@H](O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000013745051 563003774 /nfs/dbraw/zinc/00/37/74/563003774.db2.gz XPXYGHABMROCKS-CPUNTBAPSA-N -1 0 442.555 5.699 1 0 IKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000013756170 563004451 /nfs/dbraw/zinc/00/44/51/563004451.db2.gz WJHFTQKLQHZHET-NOZRDPDXSA-N -1 0 441.575 5.902 1 0 IKAFRM CCN(CC)c1ccc(NC(=O)/C=C/c2c(C(=O)[O-])[nH]c3cc(Cl)cc(Cl)c32)cc1 ZINC000013761297 563005098 /nfs/dbraw/zinc/00/50/98/563005098.db2.gz XOKKXBRYRROKEW-MDZDMXLPSA-N -1 0 446.334 5.671 1 0 IKAFRM C[C@H]1c2ccccc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000013775915 563005761 /nfs/dbraw/zinc/00/57/61/563005761.db2.gz XFVDWMDSPPMLIZ-SFHVURJKSA-N -1 0 437.583 7.368 1 0 IKAFRM Cc1ccccc1[C@H](CCC(=O)[O-])Oc1cc(OCc2ccsc2)ccc1-c1cc[nH]n1 ZINC000013780342 563006397 /nfs/dbraw/zinc/00/63/97/563006397.db2.gz BSJOXPZITWSTQE-QHCPKHFHSA-N -1 0 448.544 6.011 1 0 IKAFRM Cc1ccccc1[C@@H](CCC(=O)[O-])Oc1cc(OCc2ccsc2)ccc1-c1cc[nH]n1 ZINC000013780341 563006407 /nfs/dbraw/zinc/00/64/07/563006407.db2.gz BSJOXPZITWSTQE-HSZRJFAPSA-N -1 0 448.544 6.011 1 0 IKAFRM Cc1ccccc1[C@H](CCC(=O)[O-])Oc1cc(OCc2ccsc2)ccc1-c1ncc[nH]1 ZINC000013780338 563006419 /nfs/dbraw/zinc/00/64/19/563006419.db2.gz VSWAQUAOGPJGRX-QFIPXVFZSA-N -1 0 448.544 6.011 1 0 IKAFRM CCCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)[N-]c1onc(C)c1C ZINC000013782439 563006787 /nfs/dbraw/zinc/00/67/87/563006787.db2.gz AQJXXSDUHOILFS-UHFFFAOYSA-N -1 0 441.597 5.780 1 0 IKAFRM COc1ccc(C(=O)[O-])cc1NC(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000013782723 563006873 /nfs/dbraw/zinc/00/68/73/563006873.db2.gz MTGCLLIJOGFTEB-ODECOBMASA-N -1 0 431.488 5.575 1 0 IKAFRM CC(C)(CC(=O)[O-])Cc1nc2cc(Cl)ccc2n1Cc1ccc(Br)cc1 ZINC000013826787 563010627 /nfs/dbraw/zinc/01/06/27/563010627.db2.gz BWFOQEPCUOWLLA-UHFFFAOYSA-N -1 0 435.749 5.544 1 0 IKAFRM CCCCCCc1ncc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000013831920 563011220 /nfs/dbraw/zinc/01/12/20/563011220.db2.gz CDDGQRYTLBQTCJ-XMHGGMMESA-N -1 0 443.012 6.480 1 0 IKAFRM O=C([O-])CCCCCCCc1ocnc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834181 563011908 /nfs/dbraw/zinc/01/19/08/563011908.db2.gz XBBWOEWKTBCJSM-UHFFFAOYSA-N -1 0 430.504 6.631 1 0 IKAFRM O=C([O-])COc1cccc(C[C@@H](CCO)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834168 563011921 /nfs/dbraw/zinc/01/19/21/563011921.db2.gz MZIQKKHJAKRXEL-JOCHJYFZSA-N -1 0 443.499 5.181 1 0 IKAFRM O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834189 563011976 /nfs/dbraw/zinc/01/19/76/563011976.db2.gz HJDHJXKDDONHRM-UHFFFAOYSA-N -1 0 447.490 6.806 1 0 IKAFRM O=C([O-])COc1cccc(-c2ncoc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834186 563011986 /nfs/dbraw/zinc/01/19/86/563011986.db2.gz OIQXQLYKGNLLDM-UHFFFAOYSA-N -1 0 438.439 5.794 1 0 IKAFRM COc1c(C=O)c(C)c(Cl)c([O-])c1C/C=C(\C)CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1 ZINC000013835907 563012336 /nfs/dbraw/zinc/01/23/36/563012336.db2.gz NWVQECFIIUQJBQ-XPDHNEBTSA-N -1 0 434.960 5.527 1 0 IKAFRM CCCCCC[C@@H]1[C@H](C(=O)[O-])[C@H]1[C@]([NH3+])(CC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000013912562 563013921 /nfs/dbraw/zinc/01/39/21/563013921.db2.gz HOARSDISRSQYDP-PVLDIMPDSA-N -1 0 437.536 5.014 1 0 IKAFRM CC[C@H](OC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000014018711 563014266 /nfs/dbraw/zinc/01/42/66/563014266.db2.gz IMZLMODVPJWIKO-YJYMSZOUSA-N -1 0 447.959 6.645 1 0 IKAFRM O=C([O-])c1ccc(Oc2ccc3c(c2)nccc3-c2c3n(nc2-c2ccccn2)CCC3)cc1 ZINC000014976423 563016984 /nfs/dbraw/zinc/01/69/84/563016984.db2.gz FZETVVQTGAVAAE-UHFFFAOYSA-N -1 0 448.482 5.597 1 0 IKAFRM 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CCCc1c(O)c(C(C)=O)ccc1OCc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027984894 563048796 /nfs/dbraw/zinc/04/87/96/563048796.db2.gz UPBJAFTYGNENIJ-UHFFFAOYSA-N -1 0 447.487 5.077 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(C(=O)[O-])=CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028013984 563049765 /nfs/dbraw/zinc/04/97/65/563049765.db2.gz NCWQYNLGWWNVRY-STCUNNHWSA-N -1 0 427.629 5.832 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC(F)=C4C=C(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028017072 563049928 /nfs/dbraw/zinc/04/99/28/563049928.db2.gz WQOPICUBAMXBEL-PTECHPNESA-N -1 0 445.619 6.129 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C(C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028019163 563049974 /nfs/dbraw/zinc/04/99/74/563049974.db2.gz AKOGJNHEPRFBPG-HPNOHPCFSA-N -1 0 425.613 5.608 1 0 IKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cc(C)c(C)cc3n2)c1)C(=O)[O-] ZINC000028093687 563050394 /nfs/dbraw/zinc/05/03/94/563050394.db2.gz NXMVUMPPOABACO-UHFFFAOYSA-N -1 0 434.536 5.650 1 0 IKAFRM C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1 ZINC000028126083 563051207 /nfs/dbraw/zinc/05/12/07/563051207.db2.gz NBIVGOULTSIQTF-XMMPIXPASA-N -1 0 446.927 5.145 1 0 IKAFRM CCC(C)(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)[O-])CC3)c(Cl)c1 ZINC000028126020 563051227 /nfs/dbraw/zinc/05/12/27/563051227.db2.gz CAQVFQUZLBQYOV-RUZDIDTESA-N -1 0 446.971 6.044 1 0 IKAFRM COc1ccc2c(c1)c(Cc1ccc(C(=O)[O-])cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028131246 563051399 /nfs/dbraw/zinc/05/13/99/563051399.db2.gz AWSRKKKMZUGBQJ-UHFFFAOYSA-N -1 0 433.891 5.589 1 0 IKAFRM Cc1ccc(-c2[n-]c(S(=O)(=O)C(F)(F)C(F)F)nc2-c2cccc(Cl)c2)cc1 ZINC000028220943 563051732 /nfs/dbraw/zinc/05/17/32/563051732.db2.gz FZUAOOHWQPLJQG-UHFFFAOYSA-N -1 0 432.826 5.337 1 0 IKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)CC1CCCC1 ZINC000028476498 563055711 /nfs/dbraw/zinc/05/57/11/563055711.db2.gz WRZNOKBKXLJWIW-UYRXBGFRSA-N -1 0 444.325 5.363 1 0 IKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3Cl)nc2c1 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O=C([O-])C(=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl ZINC000036310699 563092677 /nfs/dbraw/zinc/09/26/77/563092677.db2.gz DSSORHUMAQSDKZ-UHFFFAOYSA-N -1 0 431.271 5.419 1 0 IKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccc(Cl)cc3)cc1)n2C1CCCC1 ZINC000036350367 563093306 /nfs/dbraw/zinc/09/33/06/563093306.db2.gz UVYUPWDVOAYOLH-UHFFFAOYSA-N -1 0 446.934 6.749 1 0 IKAFRM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000038216355 563097070 /nfs/dbraw/zinc/09/70/70/563097070.db2.gz XIYILCWDRBCFJW-RTWAWAEBSA-N -1 0 426.299 5.559 1 0 IKAFRM Cc1cc([C@H](Cc2ccc(CCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)[O-])no1 ZINC000038469075 563097854 /nfs/dbraw/zinc/09/78/54/563097854.db2.gz QDBMFRPMKUDTGG-QFIPXVFZSA-N -1 0 430.504 5.533 1 0 IKAFRM CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)[O-])C2CCC(O)CC2)CC1 ZINC000038907948 563098511 /nfs/dbraw/zinc/09/85/11/563098511.db2.gz CKVYPTIWERNFSU-UHFFFAOYSA-N -1 0 441.593 5.576 1 0 IKAFRM O=C([O-])[C@@H](Oc1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242692 563098988 /nfs/dbraw/zinc/09/89/88/563098988.db2.gz NEYHIKLUALWBIB-VWLOTQADSA-N -1 0 446.886 7.129 1 0 IKAFRM C[C@H](C(=O)[O-])N1CCCN(c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)C1=O ZINC000040395460 563100719 /nfs/dbraw/zinc/10/07/19/563100719.db2.gz JMNVIGJMBFGIQI-LJQANCHMSA-N -1 0 430.504 5.038 1 0 IKAFRM C[C@@H](C(=O)[O-])N1CCCN(c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)C1=O ZINC000040395459 563100728 /nfs/dbraw/zinc/10/07/28/563100728.db2.gz JMNVIGJMBFGIQI-IBGZPJMESA-N -1 0 430.504 5.038 1 0 IKAFRM CC(C)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@H]1CC(=O)[O-] ZINC000040420935 563102167 /nfs/dbraw/zinc/10/21/67/563102167.db2.gz LZONHUSMVCYUJX-ZDUSSCGKSA-N -1 0 449.403 6.970 1 0 IKAFRM COc1ccc(C(=O)Nc2cc3c(cc2C(C)C)CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@]32C)cc1 ZINC000040430615 563103535 /nfs/dbraw/zinc/10/35/35/563103535.db2.gz GKAQLODZQILGPX-RYRVMRHHSA-N -1 0 449.591 6.166 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C=C(CC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040663224 563105803 /nfs/dbraw/zinc/10/58/03/563105803.db2.gz FXXQHWJUWVIDGU-MMQFYJDDSA-N -1 0 443.672 6.302 1 0 IKAFRM C[P@](=O)([O-])[C@@H](C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc21 ZINC000040752827 563106156 /nfs/dbraw/zinc/10/61/56/563106156.db2.gz GZXIXQPDOFCECC-HXUWFJFHSA-N -1 0 429.865 6.288 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=C\C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000040843614 563107308 /nfs/dbraw/zinc/10/73/08/563107308.db2.gz MPQBNNZVAZNECG-MZOZFDTFSA-N -1 0 441.656 6.222 1 0 IKAFRM CCC1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040846171 563107429 /nfs/dbraw/zinc/10/74/29/563107429.db2.gz PFYXLKJEPSKGSK-NJTIBFSMSA-N -1 0 437.923 5.306 1 0 IKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)[O-] ZINC000040862140 563108166 /nfs/dbraw/zinc/10/81/66/563108166.db2.gz UBZJCDDNXHNSNF-KRWDZBQOSA-N -1 0 431.945 5.986 1 0 IKAFRM C[C@]12CC3CC(c4cc(-c5ccc(/C=C/C(=O)[O-])cc5Cl)ccc4O)(C1)C[C@@](C)(C3)C2 ZINC000040863867 563108556 /nfs/dbraw/zinc/10/85/56/563108556.db2.gz DIXYWCRPNNUEHU-FTMKVIHZSA-N -1 0 436.979 7.058 1 0 in-vitro IKAFRM CCC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000040918113 563111745 /nfs/dbraw/zinc/11/17/45/563111745.db2.gz FZTWCIHSJDWTMS-NRFANRHFSA-N -1 0 447.535 5.392 1 0 IKAFRM O=C([O-])c1cc(-c2ccc(-c3ccc(F)cc3C(F)(F)F)cc2C2CCCCC2)on1 ZINC000040937920 563113067 /nfs/dbraw/zinc/11/30/67/563113067.db2.gz MQWTUMOMCRLYNV-UHFFFAOYSA-N -1 0 433.401 6.912 1 0 IKAFRM CCCCCOc1cc(-c2cc(/C=C/C(=O)[O-])ccc2O)cc2c1C(C)(C)CCC2(C)C ZINC000040949592 563113763 /nfs/dbraw/zinc/11/37/63/563113763.db2.gz QCMXYRJIUAPSHD-ZRDIBKRKSA-N -1 0 436.592 7.075 1 0 IKAFRM CCCC[C@@H](Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)[O-] ZINC000043024617 563117353 /nfs/dbraw/zinc/11/73/53/563117353.db2.gz NBVFRRBGSXLXMI-HSZRJFAPSA-N -1 0 425.550 5.818 1 0 IKAFRM Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1-c1nc2ccccc2s1 ZINC000043062947 563117781 /nfs/dbraw/zinc/11/77/81/563117781.db2.gz QGYQFFJDPPCCDI-UHFFFAOYSA-N -1 0 438.958 5.927 1 0 IKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(-c2cnco2)cc1 ZINC000043074878 563118259 /nfs/dbraw/zinc/11/82/59/563118259.db2.gz RFDMBKDDPYGLRV-UHFFFAOYSA-N -1 0 439.543 5.481 1 0 IKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 ZINC000043119956 563118765 /nfs/dbraw/zinc/11/87/65/563118765.db2.gz LJFKFVUCVXTYQO-UHFFFAOYSA-N -1 0 440.493 5.844 1 0 IKAFRM O=C([O-])CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(OC(F)F)cc1 ZINC000043199999 563119376 /nfs/dbraw/zinc/11/93/76/563119376.db2.gz YFBSLOQMGCJKPT-UHFFFAOYSA-N -1 0 435.470 6.034 1 0 IKAFRM CC(C)c1ccc(-c2cc([C@@H](CC3CC3)C(=O)[O-])cc(Cl)c2OCC(F)(F)F)cc1 ZINC000043206564 563119644 /nfs/dbraw/zinc/11/96/44/563119644.db2.gz SSEAOFLOVBHHRZ-LJQANCHMSA-N -1 0 440.889 7.040 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC(F)=C4C=C(C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000045290006 563128715 /nfs/dbraw/zinc/12/87/15/563128715.db2.gz WQOPICUBAMXBEL-VEJOBBIGSA-N -1 0 445.619 6.129 1 0 IKAFRM O=C([O-])Cc1sc([C@H](c2ccccc2)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000045337884 563131651 /nfs/dbraw/zinc/13/16/51/563131651.db2.gz KFYBMRFCSOFQBV-JOCHJYFZSA-N -1 0 437.923 6.410 1 0 IKAFRM COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000045356462 563132620 /nfs/dbraw/zinc/13/26/20/563132620.db2.gz MKJRZZNBXZNNDQ-ROUUACIJSA-N -1 0 437.517 5.184 1 0 IKAFRM Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)cc(C)c1C[C@H]1SC(=O)[N-]C1=O ZINC000045365218 563132963 /nfs/dbraw/zinc/13/29/63/563132963.db2.gz SWLRZTQYTFQLCN-CQSZACIVSA-N -1 0 430.835 5.057 1 0 IKAFRM Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)[O-])cc2)c1Cc1ccc(Cl)cc1 ZINC000045367357 563133143 /nfs/dbraw/zinc/13/31/43/563133143.db2.gz FADNAZBPTQVMPQ-ZDUSSCGKSA-N -1 0 427.953 5.798 1 0 IKAFRM C[C@]1(C(=O)[O-])CCC[C@]2(C)c3cc(OCc4ccc(C(F)(F)F)cc4)ccc3CC[C@@H]12 ZINC000045495386 563134304 /nfs/dbraw/zinc/13/43/04/563134304.db2.gz DSCGRQHNFGAWAH-JRFVFWCSSA-N -1 0 432.482 6.379 1 0 IKAFRM Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCC(=O)[O-] ZINC000049021468 563135680 /nfs/dbraw/zinc/13/56/80/563135680.db2.gz AXHXSOYRYGSQHK-UHFFFAOYSA-N -1 0 431.513 5.828 1 0 IKAFRM C[C@H]1C[C@@H](N(C(=O)CCC(=O)[O-])c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000049033825 563136046 /nfs/dbraw/zinc/13/60/46/563136046.db2.gz SKMCUINBBWXWBC-YADARESESA-N -1 0 442.515 5.065 1 0 IKAFRM Cc1sc(COc2ccc(OCC(=O)[O-])c(C)c2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000049036299 563136438 /nfs/dbraw/zinc/13/64/38/563136438.db2.gz SUWATMZSZVNXEB-UHFFFAOYSA-N -1 0 437.439 5.488 1 0 IKAFRM O=C([O-])Cc1sc(N(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000049050328 563136881 /nfs/dbraw/zinc/13/68/81/563136881.db2.gz VMNKSOGBAMTBBS-UHFFFAOYSA-N -1 0 440.446 6.324 1 0 IKAFRM O=C([O-])CCCCCCOc1ccc(C(c2ccc(O)cc2)=C2C3CCCC2CCC3)cc1 ZINC000049068237 563137432 /nfs/dbraw/zinc/13/74/32/563137432.db2.gz NDUYYUJHILMONA-UHFFFAOYSA-N -1 0 448.603 7.208 1 0 IKAFRM CCCCC1=Nc2ccccc2S(=O)(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000049592952 563138929 /nfs/dbraw/zinc/13/89/29/563138929.db2.gz CWDWOWPEUPYLNH-UHFFFAOYSA-N -1 0 448.544 5.477 1 0 IKAFRM O=C([O-])CCC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 ZINC000049792853 563139885 /nfs/dbraw/zinc/13/98/85/563139885.db2.gz XHHPEJRMENXQSF-CHWSQXEVSA-N -1 0 437.348 5.229 1 0 IKAFRM CCO[C@H](Cc1cccc2c1ccn2CCCc1nc(-c2ccccc2)oc1C)C(=O)[O-] ZINC000049942225 563140708 /nfs/dbraw/zinc/14/07/08/563140708.db2.gz DKDATBYVPQYIRT-XMMPIXPASA-N -1 0 432.520 5.270 1 0 IKAFRM O=C([O-])c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1 ZINC000049918359 563140722 /nfs/dbraw/zinc/14/07/22/563140722.db2.gz BXIKNVHYEXACIR-UHFFFAOYSA-N -1 0 447.844 5.551 1 0 IKAFRM O=S(=O)([N-]c1cc(Cl)cnc1Oc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000053230554 563141402 /nfs/dbraw/zinc/14/14/02/563141402.db2.gz MCLJHXMLKYITBX-UHFFFAOYSA-N -1 0 430.700 5.030 1 0 IKAFRM CCCC[C@H](Sc1nc(OCc2ccccc2)cc(OCc2ccccc2)n1)C(=O)[O-] ZINC000053296398 563141821 /nfs/dbraw/zinc/14/18/21/563141821.db2.gz JMSYHMKFDMLGNZ-FQEVSTJZSA-N -1 0 438.549 5.370 1 0 IKAFRM CCc1cc(C(F)(F)F)cc2c1nc(C1(c3ccc(Cl)cc3)CC1)c(O)c2C(=O)[O-] ZINC000058548013 563144308 /nfs/dbraw/zinc/14/43/08/563144308.db2.gz SADKPEGBHCTYOJ-UHFFFAOYSA-N -1 0 435.829 5.953 1 0 IKAFRM CCCCC[C@@H]1C=C(C(=O)[O-])[C@H](c2ccc(CC)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947035 563151240 /nfs/dbraw/zinc/15/12/40/563151240.db2.gz NFFYKYNOOKNPPC-QPPBQGQZSA-N -1 0 441.593 5.263 3 0 IKAFRM CCCCC[C@@H]1C=C(C(=O)[O-])[C@H](c2ccc(C)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947058 563151288 /nfs/dbraw/zinc/15/12/88/563151288.db2.gz FYDZYZIHFURHFW-OFNKIYASSA-N -1 0 427.566 5.009 3 0 IKAFRM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc(Br)cc1OC(F)(F)F ZINC000064480304 563153650 /nfs/dbraw/zinc/15/36/50/563153650.db2.gz BRCADGANWVLQRE-UHFFFAOYSA-N -1 0 446.244 5.302 1 0 IKAFRM C=C(NNc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc2cc(OC)ccc2c1 ZINC000064502330 563153819 /nfs/dbraw/zinc/15/38/19/563153819.db2.gz KKVGWAVVIUSIFY-UHFFFAOYSA-N -1 0 438.698 5.489 1 0 IKAFRM O=C([O-])c1nc(-c2cccc(Cl)c2)[nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000064526381 563154305 /nfs/dbraw/zinc/15/43/05/563154305.db2.gz CDGNCNLGIFVIFQ-UHFFFAOYSA-N -1 0 445.906 5.271 1 0 IKAFRM CC(C)N1Cc2cc(OCc3cccc(-c4ccc(Cl)c(C(=O)[O-])c4)c3)ccc2C1=O ZINC000066112750 563159088 /nfs/dbraw/zinc/15/90/88/563159088.db2.gz IPHOWNGWSDCVGP-UHFFFAOYSA-N -1 0 435.907 5.648 1 0 IKAFRM O=C([O-])C1=Cc2cc(Cl)c(OCC3CCCCC3)c(Cl)c2O[C@@H]1C(F)(F)F ZINC000066259175 563160490 /nfs/dbraw/zinc/16/04/90/563160490.db2.gz IYNNULVHDYXAQY-INIZCTEOSA-N -1 0 425.230 5.744 1 0 IKAFRM O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)n(-c3ccccc3)n2)c1 ZINC000071280754 563161433 /nfs/dbraw/zinc/16/14/33/563161433.db2.gz CBQYUAFRIGDERL-UHFFFAOYSA-N -1 0 446.506 6.337 1 0 IKAFRM CC1(C)CC=C(c2ccccc2)c2ccc([C@@H](O)C(=O)Nc3ccc(C(=O)[O-])cc3F)cc21 ZINC000071295908 563161694 /nfs/dbraw/zinc/16/16/94/563161694.db2.gz ANIGTHUPDPUXKX-XMMPIXPASA-N -1 0 445.490 5.309 1 0 IKAFRM CCCC[C@@H](Cc1cccc(OCCc2ccccc2)c1OCCc1ccccc1)C(=O)[O-] ZINC000072113150 563163513 /nfs/dbraw/zinc/16/35/13/563163513.db2.gz YDHGSYFSHRPUIJ-SANMLTNESA-N -1 0 446.587 6.363 1 0 IKAFRM CCCC[C@@H](Cc1ccc(OCCc2ccccc2)cc1OCCc1ccccc1)C(=O)[O-] ZINC000072113220 563163555 /nfs/dbraw/zinc/16/35/55/563163555.db2.gz JESZGKRZAKDISG-SANMLTNESA-N -1 0 446.587 6.363 1 0 IKAFRM CCCC[C@@H](Cc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)[O-] ZINC000072114241 563163630 /nfs/dbraw/zinc/16/36/30/563163630.db2.gz ZWRNDAOEALINEI-SANMLTNESA-N -1 0 446.587 6.363 1 0 IKAFRM CCCC[C@H](Cc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)[O-] ZINC000072114242 563163677 /nfs/dbraw/zinc/16/36/77/563163677.db2.gz ZWRNDAOEALINEI-AREMUKBSSA-N -1 0 446.587 6.363 1 0 IKAFRM COc1ccc([C@H](c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(O)ccc3ccccc32)cc1 ZINC000072118251 563163759 /nfs/dbraw/zinc/16/37/59/563163759.db2.gz IWGCYALDYJWFJW-AREMUKBSSA-N -1 0 436.511 5.522 1 0 IKAFRM CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)[O-] ZINC000072179909 563166621 /nfs/dbraw/zinc/16/66/21/563166621.db2.gz KTPGBFFPUBAEBF-JOCHJYFZSA-N -1 0 439.483 5.078 1 0 IKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)C(=O)[O-] ZINC000072179908 563166655 /nfs/dbraw/zinc/16/66/55/563166655.db2.gz KTPGBFFPUBAEBF-QFIPXVFZSA-N -1 0 439.483 5.078 1 0 IKAFRM O=C([O-])c1c(-c2ccc(F)cc2F)c2cc(Cl)ccc2n1Cc1cccc(Cl)c1 ZINC000072180028 563166744 /nfs/dbraw/zinc/16/67/44/563166744.db2.gz HLQZGDRSRCWWQC-UHFFFAOYSA-N -1 0 432.253 6.640 1 0 IKAFRM O=C([N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1cccc(-c2ccccc2)c1 ZINC000072182868 563167498 /nfs/dbraw/zinc/16/74/98/563167498.db2.gz SXIFDEXFCZFTRN-UHFFFAOYSA-N -1 0 429.497 5.265 1 0 IKAFRM O=C([N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000072184181 563167765 /nfs/dbraw/zinc/16/77/65/563167765.db2.gz GZMLBOHZIQRJIR-UHFFFAOYSA-N -1 0 429.497 5.265 1 0 IKAFRM O=C([O-])CCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 ZINC000073199717 563170275 /nfs/dbraw/zinc/17/02/75/563170275.db2.gz OPBQWGCTUZRNEP-UHFFFAOYSA-N -1 0 446.547 6.375 1 0 IKAFRM O=C([O-])c1ccc2c(ccc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)c2CO)c1 ZINC000082156485 563173630 /nfs/dbraw/zinc/17/36/30/563173630.db2.gz SZKLQSXJFAVCIB-UHFFFAOYSA-N -1 0 428.528 5.871 1 0 IKAFRM CC(C)Oc1ccc(-c2nc(-c3ccc4c(CCC(=O)[O-])c[nH]c4c3)no2)cc1Cl ZINC000084619205 563174583 /nfs/dbraw/zinc/17/45/83/563174583.db2.gz MMXGDFLGEGOJHJ-UHFFFAOYSA-N -1 0 425.872 5.343 1 0 IKAFRM Cc1noc(C)c1-c1ccc2c(ncc(C(=O)[O-])c2Nc2ccccc2C(C)(C)C)c1C ZINC000084635703 563174826 /nfs/dbraw/zinc/17/48/26/563174826.db2.gz AIMHOMDDAPOZFR-UHFFFAOYSA-N -1 0 429.520 6.554 1 0 IKAFRM CCN(c1ccc(C(=O)[O-])cn1)c1cc(OCC(C)C)c(C(C)C)cc1-c1ccccc1 ZINC000084669962 563175124 /nfs/dbraw/zinc/17/51/24/563175124.db2.gz VNFVEFHIGMPLDY-UHFFFAOYSA-N -1 0 432.564 6.763 1 0 IKAFRM CCN(c1ccc(C(=O)[O-])cn1)c1cc(OCC(C)C)c(C(C)C)cc1Nc1ccccc1 ZINC000084669963 563175146 /nfs/dbraw/zinc/17/51/46/563175146.db2.gz ZHOIRBZEXXWXHI-UHFFFAOYSA-N -1 0 447.579 6.840 1 0 IKAFRM C/C(=C\CSCCC(=O)[O-])CCn1cc(CCc2cccc(-c3ccccc3)c2)nn1 ZINC000084724279 563178122 /nfs/dbraw/zinc/17/81/22/563178122.db2.gz DGQCCMSTTDELBR-DEDYPNTBSA-N -1 0 435.593 5.275 1 0 IKAFRM C/C(=C\CSCCC(=O)[O-])CCn1cc(COc2ccc(-c3ccccc3)cc2)nn1 ZINC000084724281 563178131 /nfs/dbraw/zinc/17/81/31/563178131.db2.gz KDFLJXZDJSJWQX-XDHOZWIPSA-N -1 0 437.565 5.068 1 0 IKAFRM Cc1ccc(-c2oc3ccc(OCc4ccc(Br)cc4)cc3c2C(=O)[O-])cc1 ZINC000084757937 563179554 /nfs/dbraw/zinc/17/95/54/563179554.db2.gz WSVQHQCMPNTPJT-UHFFFAOYSA-N -1 0 437.289 6.448 1 0 IKAFRM CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C[C@](O)(C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000084758633 563179625 /nfs/dbraw/zinc/17/96/25/563179625.db2.gz KESAVSDRFTYUOI-QRRRMEKFSA-N -1 0 445.644 5.027 1 0 IKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2ccoc2)cc1 ZINC000084759202 563179736 /nfs/dbraw/zinc/17/97/36/563179736.db2.gz COZHTSGCVNZVEB-UHFFFAOYSA-N -1 0 449.547 6.021 1 0 IKAFRM Cc1c(OCc2ccccc2-c2ccccc2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000095571636 563184562 /nfs/dbraw/zinc/18/45/62/563184562.db2.gz GIUYYRYSWKNZFZ-UHFFFAOYSA-N -1 0 428.484 5.673 1 0 IKAFRM Cc1c(OCc2ccc(-c3ccc(F)cc3)cc2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000095573918 563185142 /nfs/dbraw/zinc/18/51/42/563185142.db2.gz XSHDIGPYKJGRNA-UHFFFAOYSA-N -1 0 446.474 5.812 1 0 IKAFRM O=S(=O)([N-]c1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000095575381 563185618 /nfs/dbraw/zinc/18/56/18/563185618.db2.gz XAXFAGJYAZYRDM-UHFFFAOYSA-N -1 0 447.850 5.155 1 0 IKAFRM O=S(=O)([N-]c1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1cccc(F)c1 ZINC000095579954 563187181 /nfs/dbraw/zinc/18/71/81/563187181.db2.gz ZXYMDJFNJBHIOR-UHFFFAOYSA-N -1 0 429.860 5.015 1 0 IKAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccccc2-c2ccccc2)c(F)c1 ZINC000095581413 563187573 /nfs/dbraw/zinc/18/75/73/563187573.db2.gz BHNHJMNBXLFKPZ-UHFFFAOYSA-N -1 0 445.472 5.076 1 0 IKAFRM O=C([O-])c1cc(-c2ccccc2-c2ccccc2Cl)nc2c1cnn2Cc1ccncc1 ZINC000095582151 563187742 /nfs/dbraw/zinc/18/77/42/563187742.db2.gz SGKFLQXMQKMHNA-UHFFFAOYSA-N -1 0 440.890 5.560 1 0 IKAFRM Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1cccc(C(=O)[O-])c1)occ3C(C)(C)C ZINC000095581976 563187751 /nfs/dbraw/zinc/18/77/51/563187751.db2.gz GJISESATSYRIQN-UHFFFAOYSA-N -1 0 433.460 5.025 1 0 IKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2cccc(-c3ccccc3)c2)cc1F ZINC000095581937 563187809 /nfs/dbraw/zinc/18/78/09/563187809.db2.gz UEVUCKPLORNTOK-UHFFFAOYSA-N -1 0 426.494 5.542 1 0 IKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1 ZINC000095583149 563188214 /nfs/dbraw/zinc/18/82/14/563188214.db2.gz HUUOAIXYKFXYMH-UHFFFAOYSA-N -1 0 426.494 5.542 1 0 IKAFRM Cc1cnsc1-c1ccccc1Oc1ccc(S(=O)(=O)[N-]c2nccs2)cc1F ZINC000095585112 563188704 /nfs/dbraw/zinc/18/87/04/563188704.db2.gz HYNLDJJGTVRLEP-UHFFFAOYSA-N -1 0 447.538 5.307 1 0 IKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2cccc(Oc3ccccc3)c2)c(F)c1 ZINC000095585297 563188837 /nfs/dbraw/zinc/18/88/37/563188837.db2.gz GMZLFHPJIBINDT-UHFFFAOYSA-N -1 0 442.493 5.668 1 0 IKAFRM O=C([O-])CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccccc2Cl)n1 ZINC000095586100 563189197 /nfs/dbraw/zinc/18/91/97/563189197.db2.gz DLWPLLKZMMWLHC-UHFFFAOYSA-N -1 0 432.907 6.103 1 0 IKAFRM O=C([O-])CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000095589763 563189689 /nfs/dbraw/zinc/18/96/89/563189689.db2.gz SHAOOMDOURTRSR-UHFFFAOYSA-N -1 0 432.907 6.103 1 0 IKAFRM Cc1cc(NC(=O)CC(=O)[O-])c2c(c1Oc1ccc(O)c(CCc3ccccc3)c1)CCC2 ZINC000095598070 563192062 /nfs/dbraw/zinc/19/20/62/563192062.db2.gz VTZSDGCIQLBLLR-UHFFFAOYSA-N -1 0 445.515 5.180 1 0 IKAFRM Cc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)[O-])n1Cc1cc(F)ccc1F ZINC000095605548 563194056 /nfs/dbraw/zinc/19/40/56/563194056.db2.gz JLMRVOMLQBTYII-UHFFFAOYSA-N -1 0 434.398 5.076 1 0 IKAFRM CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1cccc(Cl)c1Cl ZINC000095613666 563194261 /nfs/dbraw/zinc/19/42/61/563194261.db2.gz IWGLAVDRQKAHHB-LFIBNONCSA-N -1 0 449.403 6.353 1 0 IKAFRM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000096924218 563198031 /nfs/dbraw/zinc/19/80/31/563198031.db2.gz KSAXUMBGMINTST-UHFFFAOYSA-N -1 0 449.359 6.474 1 0 IKAFRM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000096924211 563198034 /nfs/dbraw/zinc/19/80/34/563198034.db2.gz SNHWNAMJHQFCTE-UHFFFAOYSA-N -1 0 448.466 6.186 1 0 IKAFRM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)on1 ZINC000096935002 563199376 /nfs/dbraw/zinc/19/93/76/563199376.db2.gz LEHGBCRQXSTUIM-UHFFFAOYSA-N -1 0 448.426 5.094 1 0 IKAFRM C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000040164219 574414469 /nfs/dbraw/zinc/41/44/69/574414469.db2.gz ITZYGDKGRKKBSN-RNNLGWPXSA-N -1 0 434.661 5.504 1 0 endogenous,in-man IKAFRM CO[C@@H](Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)[O-] ZINC000034717751 581099683 /nfs/dbraw/zinc/09/96/83/581099683.db2.gz FVHQEMSSJWJWJA-QFIPXVFZSA-N -1 0 441.911 5.099 1 0 IKAFRM