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)c1ccc([C@H](CC(=O)c2ccccc2)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000001859431 212259095 /nfs/dbraw/zinc/25/90/95/212259095.db2.gz MDTBRRQJXPODOI-ZCYQVOJMSA-N -1 0 386.491 6.035 40 0 GKABRM O=C([O-])[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl ZINC000001581043 212250313 /nfs/dbraw/zinc/25/03/13/212250313.db2.gz ZYQZYUXIOLORDO-KNQAVFIVSA-N -1 0 378.855 5.565 40 0 GKABRM CC(C)(C)c1ccc2oc([N-]c3nc4c(ccc(Cl)c4Cl)s3)nc2c1 ZINC000057352959 209213426 /nfs/dbraw/zinc/21/34/26/209213426.db2.gz VHSKQCZGTDDISK-UHFFFAOYSA-N -1 0 392.311 6.785 40 0 GKABRM C[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1ccccc1Cl ZINC000257343545 212027942 /nfs/dbraw/zinc/02/79/42/212027942.db2.gz ZTKWZTZYQSELTB-ODPGBAFUSA-N -1 0 386.875 5.459 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@H]1c1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000257315351 212024394 /nfs/dbraw/zinc/02/43/94/212024394.db2.gz VAYMUQRQRQMHFB-NRFANRHFSA-N -1 0 395.499 5.904 40 0 GKABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 ZINC000257340509 212027143 /nfs/dbraw/zinc/02/71/43/212027143.db2.gz ZGLNIJMBDBXPLC-UHFFFAOYSA-N -1 0 396.462 5.499 40 0 GKABRM Cc1cc2nc(-c3cc(Br)c([O-])c(Br)c3)oc2c(C)c1 ZINC000226291208 203790661 /nfs/dbraw/zinc/79/06/61/203790661.db2.gz WLFMMZZYBZOCOH-UHFFFAOYSA-N -1 0 397.066 5.342 40 0 GKABRM O=C([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]21 ZINC000004151481 204028777 /nfs/dbraw/zinc/02/87/77/204028777.db2.gz DGYNGOFUPMFDGT-JVSQDISJSA-N -1 0 398.300 5.444 40 0 GKABRM [O-]c1c(Cl)cc(-c2nc3cnccn3c2NCc2cccs2)cc1Cl ZINC000012113834 204372969 /nfs/dbraw/zinc/37/29/69/204372969.db2.gz LNIFWCPYVANSHV-UHFFFAOYSA-N -1 0 391.283 5.082 40 0 GKABRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000014221144 204529762 /nfs/dbraw/zinc/52/97/62/204529762.db2.gz SAZVQFCPJSQHMK-UHFFFAOYSA-N -1 0 377.815 5.283 40 0 GKABRM O=C([O-])c1cccc(Nc2ccnc3c(Oc4ccccc4)ccc(Cl)c23)c1 ZINC000078401563 205374666 /nfs/dbraw/zinc/37/46/66/205374666.db2.gz LWUAXLSMANONCS-UHFFFAOYSA-N -1 0 390.826 6.122 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000013391288 205885363 /nfs/dbraw/zinc/88/53/63/205885363.db2.gz SDUILNQEXAPBJB-UHFFFAOYSA-N -1 0 380.252 5.467 40 0 GKABRM COc1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225134119 206038678 /nfs/dbraw/zinc/03/86/78/206038678.db2.gz OTDAQLJYRJCFOZ-OAQYLSRUSA-N -1 0 398.842 5.216 40 0 GKABRM COc1cccc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225134171 206039449 /nfs/dbraw/zinc/03/94/49/206039449.db2.gz NXBDWYWGVOPOCW-NRFANRHFSA-N -1 0 398.842 5.216 40 0 GKABRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1F ZINC000225603506 206060107 /nfs/dbraw/zinc/06/01/07/206060107.db2.gz CMXOBLDIZPQCLG-UHFFFAOYSA-N -1 0 391.851 5.381 40 0 GKABRM CCC[C@H]1O[C@H]2c3cc(-c4ccccc4)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)[O-] ZINC000257220536 206161745 /nfs/dbraw/zinc/16/17/45/206161745.db2.gz DLDOXNALLCWABA-HIUFNZKISA-N -1 0 380.484 5.472 40 0 GKABRM CC(C)Cc1nc(CCC2CCCCC2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257274094 206171372 /nfs/dbraw/zinc/17/13/72/206171372.db2.gz NJNPVVJSFKMZIL-UHFFFAOYSA-N -1 0 383.507 6.297 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000257332893 206182051 /nfs/dbraw/zinc/18/20/51/206182051.db2.gz XZFWRMQLHNXKAQ-OAQYLSRUSA-N -1 0 395.499 5.904 40 0 GKABRM CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000299888827 206193044 /nfs/dbraw/zinc/19/30/44/206193044.db2.gz ZECSOKFEQQDUCP-XRVJLNLASA-N -1 0 375.553 5.721 40 0 GKABRM CC(C)=Cc1cc(CCC/C(C)=C/Cc2c(O)cc(C)c(C(=O)[O-])c2O)co1 ZINC000001578028 206261235 /nfs/dbraw/zinc/26/12/35/206261235.db2.gz SHLSLIGKNZUPMK-OVCLIPMQSA-N -1 0 384.472 5.632 40 0 GKABRM O=C([O-])C(O)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000001646281 206387995 /nfs/dbraw/zinc/38/79/95/206387995.db2.gz ZAINQWJQOUCQDK-UHFFFAOYSA-N -1 0 380.443 5.341 40 0 in-vitro GKABRM Cc1cc(OCc2nc(-c3ccccc3Cl)cs2)ccc1CCC(=O)[O-] ZINC000095641931 211281927 /nfs/dbraw/zinc/28/19/27/211281927.db2.gz PNGZPTUFKSLWEZ-UHFFFAOYSA-N -1 0 387.888 5.368 40 0 GKABRM O=c1[n-]c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000016777225 207079383 /nfs/dbraw/zinc/07/93/83/207079383.db2.gz CQSNNOHMSRAZKN-UHFFFAOYSA-N -1 0 398.702 5.497 40 0 GKABRM O=C([O-])c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1Cl ZINC000020138385 207178855 /nfs/dbraw/zinc/17/88/55/207178855.db2.gz JLECARUNHYFQOE-UHFFFAOYSA-N -1 0 379.026 5.251 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000020140080 207179310 /nfs/dbraw/zinc/17/93/10/207179310.db2.gz YSJZWFBCVAUSGJ-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM Clc1ccc(CN2CCCC[C@@H]2c2ccnc([N-]c3nccs3)n2)cc1 ZINC000072377612 208007649 /nfs/dbraw/zinc/00/76/49/208007649.db2.gz REQPZJCIRAWBAE-QGZVFWFLSA-N -1 0 385.924 5.057 40 0 GKABRM Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cccc(Sc3ccccc3)c2n1 ZINC000078401756 208063502 /nfs/dbraw/zinc/06/35/02/208063502.db2.gz RUXLJSAERZMIGR-UHFFFAOYSA-N -1 0 386.476 6.136 40 0 GKABRM O=C([O-])c1ccc(Nc2ccnc3c(Oc4ccccc4)ccc(Cl)c23)cc1 ZINC000078401560 208063776 /nfs/dbraw/zinc/06/37/76/208063776.db2.gz CBHKOLZHBWJSKE-UHFFFAOYSA-N -1 0 390.826 6.122 40 0 GKABRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000020457667 210338001 /nfs/dbraw/zinc/33/80/01/210338001.db2.gz CYQBLMPKNGHUTK-UHFFFAOYSA-N -1 0 390.222 5.133 40 0 GKABRM O=C([O-])[C@H](Cc1ccccc1Oc1ccccc1)Sc1ccc(Cl)cc1 ZINC000225140077 208942746 /nfs/dbraw/zinc/94/27/46/208942746.db2.gz IPROHKUUOXBDRK-FQEVSTJZSA-N -1 0 384.884 5.920 40 0 GKABRM O=C([O-])Cc1sc(Nc2cccc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000005023194 220812888 /nfs/dbraw/zinc/81/28/88/220812888.db2.gz QRTAKFRKYVELKR-UHFFFAOYSA-N -1 0 394.883 5.987 40 0 GKABRM COc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(CC(C)C)n1 ZINC000257267666 209064275 /nfs/dbraw/zinc/06/42/75/209064275.db2.gz MIGXEKCXHQNHEY-UHFFFAOYSA-N -1 0 384.863 5.233 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013170182 221262521 /nfs/dbraw/zinc/26/25/21/221262521.db2.gz BYHOKTOGLLQYRT-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000013168151 221263361 /nfs/dbraw/zinc/26/33/61/221263361.db2.gz FOFHFHIUHRXVEN-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020145415 221475309 /nfs/dbraw/zinc/47/53/09/221475309.db2.gz VCTLDAQGPHZFIM-RMKNXTFCSA-N -1 0 399.805 5.398 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000257305321 209072830 /nfs/dbraw/zinc/07/28/30/209072830.db2.gz SPKIASNNEPWQPZ-OAQYLSRUSA-N -1 0 395.499 5.904 40 0 GKABRM CCCc1nc(COc2ccc(C)c(C)c2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257328517 209077285 /nfs/dbraw/zinc/07/72/85/209077285.db2.gz XGABIICVBKJWQV-UHFFFAOYSA-N -1 0 393.458 5.734 40 0 GKABRM O=C([O-])C[C@@H](SCc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000073633154 222271346 /nfs/dbraw/zinc/27/13/46/222271346.db2.gz IUUQWDFKMNXNTI-JOCHJYFZSA-N -1 0 378.493 5.715 40 0 GKABRM Cc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])c(C)c1 ZINC000408881790 534162168 /nfs/dbraw/zinc/16/21/68/534162168.db2.gz MRDUYZOTZWIGMT-UHFFFAOYSA-N -1 0 386.904 5.181 40 0 GKABRM O=C([O-])Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(F)cc1 ZINC000408888077 534508486 /nfs/dbraw/zinc/50/84/86/534508486.db2.gz SJUOABYXZXLXQP-UHFFFAOYSA-N -1 0 397.258 5.049 40 0 GKABRM O=C([O-])Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000408880297 534510140 /nfs/dbraw/zinc/51/01/40/534510140.db2.gz HEIGOOOAOPCMLX-UHFFFAOYSA-N -1 0 379.268 5.488 40 0 GKABRM O=C([O-])c1cccc(NCc2cccc(OCc3cccc4ccccc43)c2)c1 ZINC000408614144 534549720 /nfs/dbraw/zinc/54/97/20/534549720.db2.gz YVIOQYRQNWVZEJ-UHFFFAOYSA-N -1 0 383.447 5.729 40 0 GKABRM CC(C)CN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)c2ccccc21 ZINC000409120367 527956821 /nfs/dbraw/zinc/95/68/21/527956821.db2.gz UDVONFBBWGFSKQ-MOSHPQCFSA-N -1 0 387.435 5.188 40 0 GKABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccc(F)cc1 ZINC000408614049 528287358 /nfs/dbraw/zinc/28/73/58/528287358.db2.gz XRZAAISPFGLOEF-UHFFFAOYSA-N -1 0 395.430 5.114 40 0 GKABRM CCOc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409002237 528603235 /nfs/dbraw/zinc/60/32/35/528603235.db2.gz ZHTSQFSHLQCXOX-ZRBLBEILSA-N -1 0 385.463 5.255 40 0 GKABRM CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1 ZINC000408996431 528603463 /nfs/dbraw/zinc/60/34/63/528603463.db2.gz DRQGRXZIPIPURA-QTJGBDASSA-N -1 0 385.463 5.255 40 0 GKABRM CCCCSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2s1 ZINC000408751029 528745070 /nfs/dbraw/zinc/74/50/70/528745070.db2.gz VOMWLIBKTVRRBZ-UONOGXRCSA-N -1 0 392.546 5.018 40 0 GKABRM CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)c2ccccc21 ZINC000409205145 528943445 /nfs/dbraw/zinc/94/34/45/528943445.db2.gz MRHDVZPVZFXZCF-FOWTUZBSSA-N -1 0 393.826 5.205 40 0 GKABRM CC(C)=CCc1cc2c(=O)cc(-c3ccc(O)c(CC=C(C)C)c3)oc2cc1[O-] ZINC000013485410 560217486 /nfs/dbraw/zinc/21/74/86/560217486.db2.gz GLDVIKFETPAZNV-UHFFFAOYSA-N -1 0 390.479 5.889 40 0 biogenic,in-vitro GKABRM COc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)[O-])c(CC(C)C)n2)c1 ZINC000585264969 570232452 /nfs/dbraw/zinc/23/24/52/570232452.db2.gz CLWMIBBNIVZUIO-UHFFFAOYSA-N -1 0 391.467 5.233 40 0 GKABRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl ZINC000020138700 570242279 /nfs/dbraw/zinc/24/22/79/570242279.db2.gz UTDOWHMVGCIFEL-UHFFFAOYSA-N -1 0 379.026 5.251 40 0 GKABRM Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3Cl)o2)cc1Cl ZINC000020140303 570242747 /nfs/dbraw/zinc/24/27/47/570242747.db2.gz AYOJJADWOYADAZ-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM O=C([O-])c1ccc(Cl)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000020144902 570243590 /nfs/dbraw/zinc/24/35/90/570243590.db2.gz JLVMKSLUHVNOHC-UHFFFAOYSA-N -1 0 387.863 5.103 40 0 GKABRM Cc1c(Cl)c(C)c(Cc2c(C)c(Cl)c(C)c(Cl)c2O)c([O-])c1Cl ZINC000001687226 570267371 /nfs/dbraw/zinc/26/73/71/570267371.db2.gz FUCRRQSAJWDTFZ-UHFFFAOYSA-N -1 0 394.125 6.536 40 0 GKABRM CCc1ccc(C(=O)c2cn(CCCCC(=O)[O-])c3ccccc23)c2ccccc12 ZINC000071746308 570281506 /nfs/dbraw/zinc/28/15/06/570281506.db2.gz PKGSQKIUCYVUDF-UHFFFAOYSA-N -1 0 399.490 5.843 40 0 in-vitro GKABRM CCOc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)[O-])cc1 ZINC000000979690 570295127 /nfs/dbraw/zinc/29/51/27/570295127.db2.gz ODZGRQMCDASZEI-UHFFFAOYSA-N -1 0 388.876 5.233 40 0 GKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2ccccc2)n1 ZINC000585265481 570320524 /nfs/dbraw/zinc/32/05/24/570320524.db2.gz MWXBPNGTGLGFQP-UHFFFAOYSA-N -1 0 397.858 5.468 40 0 GKABRM CCc1ccc(C[C@@]2(C)CCc3cc(-c4ccc(C(=O)[O-])cc4)ccc3O2)cc1 ZINC000585265495 570320534 /nfs/dbraw/zinc/32/05/34/570320534.db2.gz GLKWBSQDLXUJJF-AREMUKBSSA-N -1 0 386.491 5.941 40 0 GKABRM CC(C)Oc1ccccc1-c1ccc(C(=O)[O-])c(COc2cccc(Cl)c2)n1 ZINC000585265465 570320583 /nfs/dbraw/zinc/32/05/83/570320583.db2.gz MPLNMWKBYVTJMC-UHFFFAOYSA-N -1 0 397.858 5.466 40 0 GKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(COc3ccccc3)n2)c1 ZINC000585265578 570320621 /nfs/dbraw/zinc/32/06/21/570320621.db2.gz TUVPTHYLCWQPIE-UHFFFAOYSA-N -1 0 377.440 5.121 40 0 GKABRM Cc1ccc(OCc2nc(-c3cc(C)ccc3OC(C)C)ccc2C(=O)[O-])cc1 ZINC000585265700 570320755 /nfs/dbraw/zinc/32/07/55/570320755.db2.gz YLFTUKYDASIQLW-UHFFFAOYSA-N -1 0 391.467 5.430 40 0 GKABRM COc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)[O-])c(C(C)C)n2)c1 ZINC000585265006 570320820 /nfs/dbraw/zinc/32/08/20/570320820.db2.gz DPFGKFXUMNTIIU-UHFFFAOYSA-N -1 0 377.440 5.158 40 0 GKABRM O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCC1CCCC1 ZINC000585266914 570320859 /nfs/dbraw/zinc/32/08/59/570320859.db2.gz VLUPYQTUMFTVMO-HXUWFJFHSA-N -1 0 399.922 5.293 40 0 GKABRM CCCc1nc(CCc2ccccc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265315 570320944 /nfs/dbraw/zinc/32/09/44/570320944.db2.gz LFXXYDSQZYWACA-UHFFFAOYSA-N -1 0 379.887 5.838 40 0 GKABRM C[C@]1(Cc2cccc(Cl)c2)CCc2cc(-c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000585265902 570321193 /nfs/dbraw/zinc/32/11/93/570321193.db2.gz VWSMTYYNHBVSBC-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM C[C@]1(Cc2cccc(Cl)c2)CCc2ccc(-c3ccccc3C(=O)[O-])cc2O1 ZINC000585265893 570321203 /nfs/dbraw/zinc/32/12/03/570321203.db2.gz VNLWGIYXZIMWFX-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2cccc(F)c2)n1 ZINC000585265740 570321216 /nfs/dbraw/zinc/32/12/16/570321216.db2.gz QMIFYCVTUVFISU-UHFFFAOYSA-N -1 0 399.849 5.617 40 0 GKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2ccccc2)n1 ZINC000585265806 570321267 /nfs/dbraw/zinc/32/12/67/570321267.db2.gz RUMOXWWEHLTCMD-UHFFFAOYSA-N -1 0 383.831 5.078 40 0 GKABRM COc1ccc(-c2ccc(C(=O)[O-])c(CCc3ccccc3)n2)c(OC(C)C)c1 ZINC000585265772 570321271 /nfs/dbraw/zinc/32/12/71/570321271.db2.gz RANCBUWGHWJPSD-UHFFFAOYSA-N -1 0 391.467 5.028 40 0 GKABRM C[C@@]1(Cc2cccc(F)c2)CCc2ccc(-c3cccc(C(=O)[O-])c3)cc2O1 ZINC000585265927 570321310 /nfs/dbraw/zinc/32/13/10/570321310.db2.gz XUEHPGKETGEPNX-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM COc1ccc(-c2ccc(C(=O)[O-])c(C(C)C)n2)c(OCc2ccccc2)c1 ZINC000585265968 570321337 /nfs/dbraw/zinc/32/13/37/570321337.db2.gz WDADBKCMGNTUOF-UHFFFAOYSA-N -1 0 377.440 5.158 40 0 GKABRM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000004257592 570364058 /nfs/dbraw/zinc/36/40/58/570364058.db2.gz GCJFWCCEHONXST-VWNXMTODSA-N -1 0 382.463 5.082 40 0 GKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118914778 570366602 /nfs/dbraw/zinc/36/66/02/570366602.db2.gz OBUOWZOYJNAMCZ-ASYCWRISSA-N -1 0 376.581 5.507 40 0 GKABRM CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915161 570366963 /nfs/dbraw/zinc/36/69/63/570366963.db2.gz ONYBRBPJVMVOCT-URNIXXNDSA-N -1 0 376.537 5.052 40 0 GKABRM CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915160 570367088 /nfs/dbraw/zinc/36/70/88/570367088.db2.gz ONYBRBPJVMVOCT-UZBJCSTBSA-N -1 0 376.537 5.052 40 0 GKABRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118925792 570368378 /nfs/dbraw/zinc/36/83/78/570368378.db2.gz WQJAOHOTDRGEIW-BDXGDSNJSA-N -1 0 390.564 5.298 40 0 GKABRM Cc1cccc(N(CC(=O)Nc2c(C)cc(C)cc2C)c2n[n-]c(=S)s2)c1 ZINC000008414501 570378983 /nfs/dbraw/zinc/37/89/83/570378983.db2.gz OJMHDELTOBPQPJ-UHFFFAOYSA-N -1 0 398.557 5.211 40 0 GKABRM O=C([O-])c1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 ZINC000025330510 570408272 /nfs/dbraw/zinc/40/82/72/570408272.db2.gz HGDUJDKPEPQLSD-VHXPQNKSSA-N -1 0 386.476 5.196 40 0 GKABRM O=C([O-])c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000045919903 570459243 /nfs/dbraw/zinc/45/92/43/570459243.db2.gz KWWQBQPQPJUPGN-UHFFFAOYSA-N -1 0 387.016 5.262 40 0 GKABRM Clc1ccc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc2c1 ZINC000057352928 570467956 /nfs/dbraw/zinc/46/79/56/570467956.db2.gz RIVTZPNQCYHAJX-UHFFFAOYSA-N -1 0 377.856 6.502 40 0 GKABRM COc1ccc(CSC(=S)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000006411216 570479387 /nfs/dbraw/zinc/47/93/87/570479387.db2.gz NTJWJWOXYXLLIZ-UHFFFAOYSA-N -1 0 392.760 6.286 40 0 GKABRM COc1ccc(CSC(=S)[N-]c2cc(C)c(C)cc2Br)cc1 ZINC000006484353 570481626 /nfs/dbraw/zinc/48/16/26/570481626.db2.gz GCCFXDGBFJIPDW-UHFFFAOYSA-N -1 0 396.375 5.705 40 0 GKABRM FC(F)(F)c1cccc([N-]C(=S)SCc2ccc(Cl)c(Cl)c2)c1 ZINC000006511564 570482162 /nfs/dbraw/zinc/48/21/62/570482162.db2.gz IWLMSMPRQPDMOC-UHFFFAOYSA-N -1 0 396.286 6.642 40 0 GKABRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1Cl)Oc1ccc(-c2ccccc2)cc1 ZINC000225085679 570548046 /nfs/dbraw/zinc/54/80/46/570548046.db2.gz BMBSUZSROXXXDG-HXUWFJFHSA-N -1 0 387.262 5.735 40 0 GKABRM O=C([O-])[C@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225094085 570548580 /nfs/dbraw/zinc/54/85/80/570548580.db2.gz FWUJZMJAMKLQDR-FQEVSTJZSA-N -1 0 386.369 5.447 40 0 GKABRM Cc1cc(O[C@@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)[O-])ccc1Cl ZINC000225109774 570549988 /nfs/dbraw/zinc/54/99/88/570549988.db2.gz XNEARUSQHAWNPD-NRFANRHFSA-N -1 0 382.843 5.515 40 0 GKABRM COc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1Cl ZINC000225123273 570550775 /nfs/dbraw/zinc/55/07/75/570550775.db2.gz RDPVEGOIWRKLPU-NRFANRHFSA-N -1 0 382.843 5.090 40 0 GKABRM O=C([O-])[C@@H](Cc1ccccc1Oc1ccccc1)Oc1cccc2ccccc21 ZINC000225139690 570551688 /nfs/dbraw/zinc/55/16/88/570551688.db2.gz QTGPWJSQBQKKJI-XMMPIXPASA-N -1 0 384.431 5.707 40 0 GKABRM CC(C)(C)c1ccc(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225138784 570551847 /nfs/dbraw/zinc/55/18/47/570551847.db2.gz WXWAFHOPWBRNOP-QHCPKHFHSA-N -1 0 390.479 5.851 40 0 GKABRM O=C([O-])CCC1=CC=C(c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 ZINC000003363340 570724537 /nfs/dbraw/zinc/72/45/37/570724537.db2.gz HUZQIOBZEXDTAX-HXUWFJFHSA-N -1 0 385.257 5.127 40 0 GKABRM O=C([O-])c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000060053158 570740451 /nfs/dbraw/zinc/74/04/51/570740451.db2.gz LQRFBQYOWQVTGJ-OLZVCHQQSA-N -1 0 398.300 5.444 40 0 GKABRM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c(C)c1 ZINC000006362193 570741226 /nfs/dbraw/zinc/74/12/26/570741226.db2.gz BWCBSKCLAWWSJR-UHFFFAOYSA-N -1 0 383.538 5.564 40 0 GKABRM CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](CC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000013408391 570754206 /nfs/dbraw/zinc/75/42/06/570754206.db2.gz ONYBRBPJVMVOCT-LTRBKMJWSA-N -1 0 376.537 5.052 40 0 GKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000013409161 570754301 /nfs/dbraw/zinc/75/43/01/570754301.db2.gz OBUOWZOYJNAMCZ-YUEZKUAFSA-N -1 0 376.581 5.507 40 0 GKABRM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000013670212 570770329 /nfs/dbraw/zinc/77/03/29/570770329.db2.gz GJRRVJRFKBIBJG-UHFFFAOYSA-N -1 0 386.300 5.116 40 0 GKABRM O=c1cc(CSc2nc3ccccc3s2)[n-]n1-c1nc2ccccc2s1 ZINC000008559623 570770817 /nfs/dbraw/zinc/77/08/17/570770817.db2.gz PBFKRXKSDHWHFM-UHFFFAOYSA-N -1 0 396.522 5.090 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000013169740 570837879 /nfs/dbraw/zinc/83/78/79/570837879.db2.gz ARQFIWQJXVSUFU-UHFFFAOYSA-N -1 0 380.252 5.467 40 0 GKABRM O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000016478290 570913927 /nfs/dbraw/zinc/91/39/27/570913927.db2.gz UTNTVHPWAVAQCT-NEWJYFPISA-N -1 0 397.474 5.080 40 0 GKABRM O=C([O-])Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000020139551 570941966 /nfs/dbraw/zinc/94/19/66/570941966.db2.gz XZZJPYRMLBXKPX-UHFFFAOYSA-N -1 0 380.252 5.088 40 0 GKABRM CCc1ccc(NCc2cc(Br)c([O-])c(Br)c2)cc1 ZINC000234155613 570956824 /nfs/dbraw/zinc/95/68/24/570956824.db2.gz LQHHRGWLZFILJY-UHFFFAOYSA-N -1 0 385.099 5.092 40 0 GKABRM CCc1ccccc1NCc1cc(Br)c([O-])c(Br)c1 ZINC000234151995 570972067 /nfs/dbraw/zinc/97/20/67/570972067.db2.gz YCEREKDNVUXIAV-UHFFFAOYSA-N -1 0 385.099 5.092 40 0 GKABRM O=C([O-])CCn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1 ZINC000005660617 571046302 /nfs/dbraw/zinc/04/63/02/571046302.db2.gz JYOUTDRVZFYGQD-UHFFFAOYSA-N -1 0 391.470 6.603 40 0 GKABRM Cc1ccc(C)c(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])c1 ZINC000408891943 231125006 /nfs/dbraw/zinc/12/50/06/231125006.db2.gz WCFUQVNABUOADL-UHFFFAOYSA-N -1 0 386.904 5.181 40 0 GKABRM O=C([O-])c1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cc1Cl ZINC000409105184 231161787 /nfs/dbraw/zinc/16/17/87/231161787.db2.gz HFDJWUSWZSGSRN-ZDLGFXPLSA-N -1 0 397.839 5.384 40 0 GKABRM CCc1ccc(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])cc1 ZINC000408895084 529573923 /nfs/dbraw/zinc/57/39/23/529573923.db2.gz LWMXAZWIGGLSGA-UHFFFAOYSA-N -1 0 388.492 5.318 40 0 GKABRM CC(C)(C)c1ccc(O[C@H](Cc2ccccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225138819 222670408 /nfs/dbraw/zinc/67/04/08/222670408.db2.gz WXWAFHOPWBRNOP-HSZRJFAPSA-N -1 0 390.479 5.851 40 0 GKABRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000013440015 210060836 /nfs/dbraw/zinc/06/08/36/210060836.db2.gz QIGYCUZMYPKIJJ-UHFFFAOYSA-N -1 0 390.222 5.133 40 0 GKABRM Cc1ccc(OCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc1C ZINC000257222126 222756628 /nfs/dbraw/zinc/75/66/28/222756628.db2.gz DSANLCWLWJPNSP-UHFFFAOYSA-N -1 0 393.458 5.905 40 0 GKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(Cc2ccc(F)cc2Cl)n1 ZINC000257287991 222770594 /nfs/dbraw/zinc/77/05/94/222770594.db2.gz PSHSBOSYKKPMQZ-UHFFFAOYSA-N -1 0 385.822 5.229 40 0 GKABRM CC(C)=CCC/C(C)=C/Cc1cc(-c2coc3cc([O-])ccc3c2=O)ccc1O ZINC000015120527 291144567 /nfs/dbraw/zinc/14/45/67/291144567.db2.gz ZBHUUXLHDOUMKM-REZTVBANSA-N -1 0 390.479 6.106 40 0 biogenic,in-vitro GKABRM C[NH+](Cc1c([S-])ccc2ccccc21)Cc1c([S-])ccc2ccccc21 ZINC000004991098 209556720 /nfs/dbraw/zinc/55/67/20/209556720.db2.gz DZCWCXBKEUFDKX-UHFFFAOYSA-N -1 0 375.562 6.202 40 0 GKABRM O=C([O-])[C@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl ZINC000001581044 209333706 /nfs/dbraw/zinc/33/37/06/209333706.db2.gz ZYQZYUXIOLORDO-DENIHFKCSA-N -1 0 378.855 5.565 40 0 GKABRM O=C([O-])c1cc(-c2ccc3c(c2)Nc2ccccc2S3)nc2ccc(F)cc21 ZINC000001617185 209333494 /nfs/dbraw/zinc/33/34/94/209333494.db2.gz MNIOCUBLQMVJBF-UHFFFAOYSA-N -1 0 388.423 5.947 40 0 GKABRM CC(C)(C)c1cc(Cl)c([O-])c(Cc2cc(C(C)(C)C)cc(Cl)c2O)c1 ZINC000001667533 212254554 /nfs/dbraw/zinc/25/45/54/212254554.db2.gz UTLMNROXVKXUNY-UHFFFAOYSA-N -1 0 381.343 6.590 40 0 GKABRM O=C([O-])[C@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl ZINC000001581042 212250140 /nfs/dbraw/zinc/25/01/40/212250140.db2.gz ZYQZYUXIOLORDO-SIKLNZKXSA-N -1 0 378.855 5.565 40 0 GKABRM Clc1cccc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc21 ZINC000057352906 212133390 /nfs/dbraw/zinc/13/33/90/212133390.db2.gz LENZMJBMTSONGV-UHFFFAOYSA-N -1 0 377.856 6.502 40 0 GKABRM Cc1cccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)[O-])c1 ZINC000257337406 212027803 /nfs/dbraw/zinc/02/78/03/212027803.db2.gz YSQWFPNBJRWTBH-UHFFFAOYSA-N -1 0 393.458 5.672 40 0 GKABRM CC(C)c1nc(COc2cccc(Cl)c2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257303809 212020703 /nfs/dbraw/zinc/02/07/03/212020703.db2.gz SIUDSWNHTZTHQX-UHFFFAOYSA-N -1 0 399.849 5.942 40 0 GKABRM CC(C)c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257300599 212019269 /nfs/dbraw/zinc/01/92/69/212019269.db2.gz RUZKUFSZPCKUGA-UHFFFAOYSA-N -1 0 399.849 5.942 40 0 GKABRM CN(C)c1ccc(Sc2nc(-c3ccccc3)[n-]c(=O)c2C(F)(F)F)cc1 ZINC000008846735 204291190 /nfs/dbraw/zinc/29/11/90/204291190.db2.gz YDXGJFZHOWLHFD-UHFFFAOYSA-N -1 0 391.418 5.085 40 0 GKABRM Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cccc1C(=O)[O-] ZINC000020145421 204704947 /nfs/dbraw/zinc/70/49/47/204704947.db2.gz GEYUVLMYTWUNSC-JXMROGBWSA-N -1 0 399.805 5.398 40 0 GKABRM Cc1cc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])ccc1Cl ZINC000225131147 206038862 /nfs/dbraw/zinc/03/88/62/206038862.db2.gz VXXHSLMNHSYLKO-FQEVSTJZSA-N -1 0 398.911 5.874 40 0 GKABRM Cc1cc(C)c(C)c(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])c1 ZINC000225131689 206039097 /nfs/dbraw/zinc/03/90/97/206039097.db2.gz WVYJSWGLAQOCNR-JOCHJYFZSA-N -1 0 392.520 5.838 40 0 GKABRM Cc1cc(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)[O-])ccc1Cl ZINC000225138959 206039374 /nfs/dbraw/zinc/03/93/74/206039374.db2.gz ZOLOOXFZLYQZTP-NRFANRHFSA-N -1 0 382.843 5.515 40 0 GKABRM Cc1ccc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225133197 206039650 /nfs/dbraw/zinc/03/96/50/206039650.db2.gz RNGZSQJHDBYDMU-NRFANRHFSA-N -1 0 382.843 5.515 40 0 GKABRM Cc1ccc(NC(=S)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000225455412 206049138 /nfs/dbraw/zinc/04/91/38/206049138.db2.gz OQCJTARKVQDBPM-UHFFFAOYSA-N -1 0 398.984 6.750 40 0 GKABRM Cc1ccc(OCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc1 ZINC000257288352 206173123 /nfs/dbraw/zinc/17/31/23/206173123.db2.gz PTWQCXLMBZHIDO-UHFFFAOYSA-N -1 0 379.431 5.597 40 0 GKABRM CCC[C@H]1O[C@H]2c3cccc(-c4ccccc4)c3OC(C)(C)[C@@H]2C[C@@H]1C(=O)[O-] ZINC000257242091 206164606 /nfs/dbraw/zinc/16/46/06/206164606.db2.gz IBBSGTABXNAVHN-HIUFNZKISA-N -1 0 380.484 5.472 40 0 GKABRM O=C([O-])c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 ZINC000045919937 206263488 /nfs/dbraw/zinc/26/34/88/206263488.db2.gz UJIHVBYSDXPEKK-UHFFFAOYSA-N -1 0 387.016 5.262 40 0 GKABRM CCCCc1ccc2nc([N-]c3nc4cc(-c5ccccc5)ccc4o3)sc2c1 ZINC000057352896 206279237 /nfs/dbraw/zinc/27/92/37/206279237.db2.gz HLUAFCCUNHHLET-UHFFFAOYSA-N -1 0 399.519 7.191 40 0 GKABRM Cc1cccc([N-]C(=S)Oc2cccc(C(=O)Nc3ccccc3F)c2)c1C ZINC000001424911 206380330 /nfs/dbraw/zinc/38/03/30/206380330.db2.gz ZPOAEZGCCSHUOE-UHFFFAOYSA-N -1 0 394.471 5.471 40 0 GKABRM CCc1sc(-c2cc3ccc([O-])cc3oc2=O)nc1-c1ccc(Cl)cc1 ZINC000000869183 211491627 /nfs/dbraw/zinc/49/16/27/211491627.db2.gz WPUNCLTUGOOMRT-UHFFFAOYSA-N -1 0 383.856 5.505 40 0 GKABRM CC(C)=Cc1cc(CCC/C(C)=C\Cc2c(O)cc(C)c(C(=O)[O-])c2O)co1 ZINC000013410688 206975578 /nfs/dbraw/zinc/97/55/78/206975578.db2.gz SHLSLIGKNZUPMK-NVNXTCNLSA-N -1 0 384.472 5.632 40 0 GKABRM Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)[n-]c2=O)cc1 ZINC000016777194 207078720 /nfs/dbraw/zinc/07/87/20/207078720.db2.gz NUDCIRAZGRXUSQ-UHFFFAOYSA-N -1 0 378.284 5.152 40 0 GKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)[O-])cc3)o2)cc1Cl ZINC000020145475 207180197 /nfs/dbraw/zinc/18/01/97/207180197.db2.gz MJXNBYVHTSGVRT-PKNBQFBNSA-N -1 0 381.815 5.259 40 0 GKABRM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000100998551 208386398 /nfs/dbraw/zinc/38/63/98/208386398.db2.gz GCJFWCCEHONXST-ISKFKSNPSA-N -1 0 382.463 5.082 40 0 GKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1Cl ZINC000020140190 210318973 /nfs/dbraw/zinc/31/89/73/210318973.db2.gz HRPRQQHBBORQOG-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM O=C([O-])[C@@H](Cc1cccc(Cl)c1Cl)Oc1ccc(-c2ccccc2)cc1 ZINC000225082893 208941546 /nfs/dbraw/zinc/94/15/46/208941546.db2.gz SMZHSHQSFXRVHI-LJQANCHMSA-N -1 0 387.262 5.735 40 0 GKABRM CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OCC)cc1-c1ccc(F)cc1 ZINC000257201080 209054424 /nfs/dbraw/zinc/05/44/24/209054424.db2.gz AGFFRALCLSEDBR-UHFFFAOYSA-N -1 0 396.462 5.182 40 0 GKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccc(C)cc2C)n1 ZINC000257213872 209057241 /nfs/dbraw/zinc/05/72/41/209057241.db2.gz CJKMNMZSYFDVGT-UHFFFAOYSA-N -1 0 377.440 5.041 40 0 GKABRM O=C([O-])c1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000006829228 220968203 /nfs/dbraw/zinc/96/82/03/220968203.db2.gz WINRWTZRMDPLPU-UHFFFAOYSA-N -1 0 396.415 5.214 40 0 GKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1Cl ZINC000020145376 221475313 /nfs/dbraw/zinc/47/53/13/221475313.db2.gz BZQIKBMLDZPPOF-JXMROGBWSA-N -1 0 385.778 5.089 40 0 GKABRM Cc1ccc(C)c(OCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)[O-])c1 ZINC000257295851 209070731 /nfs/dbraw/zinc/07/07/31/209070731.db2.gz RADVRUUZHIMPPK-UHFFFAOYSA-N -1 0 393.458 5.905 40 0 GKABRM CCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000096305760 222410204 /nfs/dbraw/zinc/41/02/04/222410204.db2.gz MOWZLZHGQDYBJU-UHFFFAOYSA-N -1 0 390.549 5.057 40 0 GKABRM Cc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)[O-])cc1 ZINC000408899822 534161164 /nfs/dbraw/zinc/16/11/64/534161164.db2.gz QXGVXBVISIZXKU-UHFFFAOYSA-N -1 0 393.295 5.218 40 0 GKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 ZINC000408611645 534549435 /nfs/dbraw/zinc/54/94/35/534549435.db2.gz QMQWFUWAPSDUET-UHFFFAOYSA-N -1 0 385.822 5.368 40 0 GKABRM CCCCSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2s1 ZINC000408751030 528745008 /nfs/dbraw/zinc/74/50/08/528745008.db2.gz VOMWLIBKTVRRBZ-ZIAGYGMSSA-N -1 0 392.546 5.018 40 0 GKABRM C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1cc([O-])c(Cl)c(C)c1C(=O)O2 ZINC000037538471 560079001 /nfs/dbraw/zinc/07/90/01/560079001.db2.gz FCMYLROGVKJIDN-ALCCZGGFSA-N -1 0 395.238 5.770 40 0 biogenic,in-vitro GKABRM CCCCCCc1cc(Cl)c([O-])c(C(=O)c2cc(Cl)c(Cl)[nH]2)c1O ZINC000013310842 560214207 /nfs/dbraw/zinc/21/42/07/560214207.db2.gz VPAMZQVPJOAFJG-UHFFFAOYSA-N -1 0 390.694 5.740 40 0 in-vitro GKABRM CC(C)=CCc1cc(-c2coc3c(ccc([O-])c3CC=C(C)C)c2=O)ccc1O ZINC000013485414 560217519 /nfs/dbraw/zinc/21/75/19/560217519.db2.gz YBJJPNXZVZRDIU-UHFFFAOYSA-N -1 0 390.479 5.889 40 0 biogenic,in-vitro GKABRM CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000034828479 570210237 /nfs/dbraw/zinc/21/02/37/570210237.db2.gz WKLBZIXACAMIBQ-SILNSSARSA-N -1 0 392.455 5.152 40 0 GKABRM COc1ccc(-c2ccc(C(=O)[O-])c(CC(C)C)n2)c(OCc2ccccc2)c1 ZINC000585265403 570232410 /nfs/dbraw/zinc/23/24/10/570232410.db2.gz MCAGSSIRRFJYRO-UHFFFAOYSA-N -1 0 391.467 5.233 40 0 GKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(COc2cccc(C)c2)n1 ZINC000585265381 570232492 /nfs/dbraw/zinc/23/24/92/570232492.db2.gz NADNNOVCGSHMAB-UHFFFAOYSA-N -1 0 391.467 5.431 40 0 GKABRM Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)o2)cc1Cl ZINC000020140317 570242715 /nfs/dbraw/zinc/24/27/15/570242715.db2.gz IOSZOWAZHXJTDI-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(C(=O)[O-])c3C)o2)cc1Cl ZINC000020145473 570243643 /nfs/dbraw/zinc/24/36/43/570243643.db2.gz YUZVFOXPDVRLLK-PKNBQFBNSA-N -1 0 395.842 5.567 40 0 GKABRM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001504970 570264304 /nfs/dbraw/zinc/26/43/04/570264304.db2.gz GCJFWCCEHONXST-UPVQGACJSA-N -1 0 382.463 5.082 40 0 GKABRM CC(C)c1ccc([C@H](CC(=O)c2ccccc2)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000001859428 570269770 /nfs/dbraw/zinc/26/97/70/570269770.db2.gz MDTBRRQJXPODOI-UKILVPOCSA-N -1 0 386.491 6.035 40 0 GKABRM C[C@H](CC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000584578172 570311547 /nfs/dbraw/zinc/31/15/47/570311547.db2.gz JMKNAJYBRDURHF-VFNWGFHPSA-N -1 0 395.499 5.051 40 0 GKABRM CCCc1nc(COc2cccc(C)c2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265463 570320470 /nfs/dbraw/zinc/32/04/70/570320470.db2.gz QTYVSEXWRGLZGJ-UHFFFAOYSA-N -1 0 395.886 5.940 40 0 GKABRM C[C@@]1(Cc2cccc(Cl)c2)CCc2ccc(-c3cccc(C(=O)[O-])c3)cc2O1 ZINC000585265569 570320479 /nfs/dbraw/zinc/32/04/79/570320479.db2.gz KFAIWVHEDAZRBT-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM C[C@@]1(Cc2ccccc2Cl)CCc2cccc(-c3cccc(C(=O)[O-])c3)c2O1 ZINC000585265476 570320516 /nfs/dbraw/zinc/32/05/16/570320516.db2.gz FRKILLPMNYKCCS-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM O=C([O-])c1ccc2nc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)nc2c1 ZINC000085399034 570320502 /nfs/dbraw/zinc/32/05/02/570320502.db2.gz HFVAXNCWHBQVOG-UHFFFAOYSA-N -1 0 395.245 5.969 40 0 GKABRM C[C@]1(Cc2cccc(F)c2)CCc2cccc(-c3cccc(C(=O)[O-])c3)c2O1 ZINC000585265524 570320575 /nfs/dbraw/zinc/32/05/75/570320575.db2.gz GPHJEPDTSURSFD-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM CCc1ccc(C[C@]2(C)CCc3cccc(-c4cccc(C(=O)[O-])c4)c3O2)cc1 ZINC000585265398 570320592 /nfs/dbraw/zinc/32/05/92/570320592.db2.gz BEIVDRUEORGQSZ-SANMLTNESA-N -1 0 386.491 5.941 40 0 GKABRM CC(C)Cc1nc(CCc2ccccc2)c(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000585265369 570320595 /nfs/dbraw/zinc/32/05/95/570320595.db2.gz MXAKSYLSROZYSE-UHFFFAOYSA-N -1 0 393.914 6.084 40 0 GKABRM CCCc1nc(Cc2ccc(F)cc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265483 570320627 /nfs/dbraw/zinc/32/06/27/570320627.db2.gz RCOJYQUZQMMTAX-UHFFFAOYSA-N -1 0 383.850 5.783 40 0 GKABRM Cc1ccc(OCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)[O-])cc1 ZINC000585265386 570320653 /nfs/dbraw/zinc/32/06/53/570320653.db2.gz LMIRMLFQYZNWMV-UHFFFAOYSA-N -1 0 377.440 5.121 40 0 GKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2ccccc2)n1 ZINC000585265616 570320848 /nfs/dbraw/zinc/32/08/48/570320848.db2.gz PHLNIRXIYOIOKJ-UHFFFAOYSA-N -1 0 381.859 5.480 40 0 GKABRM CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CCC2CCCC2)n1 ZINC000585264866 570320854 /nfs/dbraw/zinc/32/08/54/570320854.db2.gz AAFSACMOPUCXGE-UHFFFAOYSA-N -1 0 387.907 6.010 40 0 GKABRM Cc1cccc(OCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)[O-])c1C ZINC000585265065 570320983 /nfs/dbraw/zinc/32/09/83/570320983.db2.gz GBUSJYHPPDEFCI-UHFFFAOYSA-N -1 0 391.467 5.430 40 0 GKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(CCc3ccccc3)n2)c1 ZINC000585265165 570320988 /nfs/dbraw/zinc/32/09/88/570320988.db2.gz HWZUPNYFXVUIPJ-UHFFFAOYSA-N -1 0 375.468 5.328 40 0 GKABRM CCc1ccc(C[C@@]2(C)CCc3ccc(-c4ccc(C(=O)[O-])cc4)cc3O2)cc1 ZINC000585265742 570321120 /nfs/dbraw/zinc/32/11/20/570321120.db2.gz OSKADPGHLRYQRB-AREMUKBSSA-N -1 0 386.491 5.941 40 0 GKABRM Cc1ccc(OCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)[O-])cc1C ZINC000585266035 570321183 /nfs/dbraw/zinc/32/11/83/570321183.db2.gz ZWSAELIYXVTISC-UHFFFAOYSA-N -1 0 391.467 5.430 40 0 GKABRM CCc1ccc(C[C@@]2(C)CCc3cccc(-c4ccc(C(=O)[O-])cc4)c3O2)cc1 ZINC000585265824 570321211 /nfs/dbraw/zinc/32/12/11/570321211.db2.gz RAVXFHCFLKXWJL-AREMUKBSSA-N -1 0 386.491 5.941 40 0 GKABRM CCc1ccc(C[C@@]2(C)CCc3cc(-c4cccc(C(=O)[O-])c4)ccc3O2)cc1 ZINC000585265827 570321230 /nfs/dbraw/zinc/32/12/30/570321230.db2.gz RFCKBBJMYVWXIA-AREMUKBSSA-N -1 0 386.491 5.941 40 0 GKABRM C[C@@]1(Cc2ccccc2Cl)CCc2cccc(-c3ccccc3C(=O)[O-])c2O1 ZINC000585265770 570321260 /nfs/dbraw/zinc/32/12/60/570321260.db2.gz PRRXUVMXXKARFP-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccccc2C(C)C)n1 ZINC000585265851 570321292 /nfs/dbraw/zinc/32/12/92/570321292.db2.gz SPJOPTNHVRSXJW-UHFFFAOYSA-N -1 0 391.467 5.548 40 0 GKABRM CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000585265992 570321315 /nfs/dbraw/zinc/32/13/15/570321315.db2.gz XIQJMMRLKACCTA-UHFFFAOYSA-N -1 0 395.886 5.673 40 0 GKABRM C[C@]1(Cc2cccc(F)c2)CCc2cccc(-c3ccc(C(=O)[O-])cc3)c2O1 ZINC000585265848 570321322 /nfs/dbraw/zinc/32/13/22/570321322.db2.gz RUNALUNWXSJESQ-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM CCc1ccc(C[C@]2(C)CCc3cccc(-c4ccc(C(=O)[O-])cc4)c3O2)cc1 ZINC000585265825 570321342 /nfs/dbraw/zinc/32/13/42/570321342.db2.gz RAVXFHCFLKXWJL-SANMLTNESA-N -1 0 386.491 5.941 40 0 GKABRM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c([O-])c(Cl)c3)N21 ZINC000222667397 570419528 /nfs/dbraw/zinc/41/95/28/570419528.db2.gz HYGUTWOZFHLNII-HFBAOOFYSA-N -1 0 394.327 5.073 40 0 GKABRM Cc1ccc(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])c(C)c1 ZINC000005613705 570449097 /nfs/dbraw/zinc/44/90/97/570449097.db2.gz TVGCLWWDQBCTCO-UHFFFAOYSA-N -1 0 388.492 5.951 40 0 GKABRM COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1Cl ZINC000006320122 570476965 /nfs/dbraw/zinc/47/69/65/570476965.db2.gz HDEDPQCOMMVIPQ-UHFFFAOYSA-N -1 0 390.266 5.477 40 0 GKABRM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)cc1 ZINC000223656644 570477133 /nfs/dbraw/zinc/47/71/33/570477133.db2.gz DUORMOPAQXIMOH-UHFFFAOYSA-N -1 0 399.537 5.077 40 0 GKABRM Cc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[O-])o1 ZINC000211526617 570492217 /nfs/dbraw/zinc/49/22/17/570492217.db2.gz KYSUVTMOUZOKSY-AUWJEWJLSA-N -1 0 397.239 5.163 40 0 GKABRM Cc1nnc(S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[O-])o1 ZINC000211527583 570492296 /nfs/dbraw/zinc/49/22/96/570492296.db2.gz AMBXFMURLKLEFX-QPEQYQDCSA-N -1 0 397.239 5.163 40 0 GKABRM O=C([O-])[C@@H](Cc1ccc(Br)cc1)Oc1ccc(-c2ccccc2)cc1 ZINC000225065960 570546150 /nfs/dbraw/zinc/54/61/50/570546150.db2.gz XWYIZTPTEAFBLJ-HXUWFJFHSA-N -1 0 397.268 5.191 40 0 GKABRM O=C([O-])[C@@H](Cc1ccc(Oc2ccccc2)cc1)Sc1ccc(Cl)cc1 ZINC000225110838 570549779 /nfs/dbraw/zinc/54/97/79/570549779.db2.gz DZGKWLNDJXZSIK-HXUWFJFHSA-N -1 0 384.884 5.920 40 0 GKABRM O=C([O-])[C@@H](Cc1ccccc1Sc1ccccc1)Oc1ccccc1Cl ZINC000225130625 570550914 /nfs/dbraw/zinc/55/09/14/570550914.db2.gz SICQHLSJWQXVMS-LJQANCHMSA-N -1 0 384.884 5.566 40 0 GKABRM COc1ccc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225134251 570551449 /nfs/dbraw/zinc/55/14/49/570551449.db2.gz PXVDNPXMPVPJRD-NRFANRHFSA-N -1 0 398.842 5.216 40 0 GKABRM Cc1cc(C)cc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225133738 570551455 /nfs/dbraw/zinc/55/14/55/570551455.db2.gz HRNPWWYREUOUDS-QFIPXVFZSA-N -1 0 396.870 5.824 40 0 GKABRM CC(C)c1ccccc1O[C@H](Cc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000225139181 570551855 /nfs/dbraw/zinc/55/18/55/570551855.db2.gz PRWWHWXDYGRHMD-HSZRJFAPSA-N -1 0 376.452 5.677 40 0 GKABRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000004898521 570637446 /nfs/dbraw/zinc/63/74/46/570637446.db2.gz IQINCPIFTZIPLE-UHFFFAOYSA-N -1 0 399.368 5.001 40 0 GKABRM Cc1ccc(C)c(OCCn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1 ZINC000033757668 570647243 /nfs/dbraw/zinc/64/72/43/570647243.db2.gz NJZHZCWUVLYBLR-UHFFFAOYSA-N -1 0 397.902 5.522 40 0 GKABRM COc1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000059472463 570655081 /nfs/dbraw/zinc/65/50/81/570655081.db2.gz XJCWALWXBBMRDS-UHFFFAOYSA-N -1 0 386.407 5.038 40 0 GKABRM FC(F)(F)c1ccc(Cl)c(NCc2n[n-]c(=S)n2-c2ccccc2)c1 ZINC000004973828 570655431 /nfs/dbraw/zinc/65/54/31/570655431.db2.gz YMZFMWMNUZEULU-UHFFFAOYSA-N -1 0 384.814 5.214 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1Cc3ccccc3[C@H]21 ZINC000408991695 570665806 /nfs/dbraw/zinc/66/58/06/570665806.db2.gz OWTUQDKBPRKSDX-PWRODBHTSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000408992737 570691487 /nfs/dbraw/zinc/69/14/87/570691487.db2.gz BJQMWFNJLVJTSU-HJNYFJLDSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])[C@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccccc1 ZINC000003165866 570724208 /nfs/dbraw/zinc/72/42/08/570724208.db2.gz UTNTVHPWAVAQCT-QPXUXIHVSA-N -1 0 397.474 5.080 40 0 GKABRM O=C([O-])CCC1=CC=C(c2ccc(Br)cc2)[C@H]1c1ccc(O)cc1 ZINC000003363337 570724507 /nfs/dbraw/zinc/72/45/07/570724507.db2.gz HUZQIOBZEXDTAX-FQEVSTJZSA-N -1 0 385.257 5.127 40 0 GKABRM CCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000006361991 570741132 /nfs/dbraw/zinc/74/11/32/570741132.db2.gz GIOXCQNZFBPXPE-UHFFFAOYSA-N -1 0 385.510 5.037 40 0 GKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000013166954 570749765 /nfs/dbraw/zinc/74/97/65/570749765.db2.gz WFWFMFRGUVTLAY-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000013391358 570753910 /nfs/dbraw/zinc/75/39/10/570753910.db2.gz PTHJRSRCGUWQQK-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM Cc1ccc(NCc2cc(Br)c([O-])c(Br)c2)cc1C ZINC000225644782 570792640 /nfs/dbraw/zinc/79/26/40/570792640.db2.gz HPDQMOGOVQDLQT-UHFFFAOYSA-N -1 0 385.099 5.146 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000169702391 570905129 /nfs/dbraw/zinc/90/51/29/570905129.db2.gz KWRGCTBNJCAWIA-NQJLJZTISA-N -1 0 387.401 5.700 40 0 GKABRM O=C([O-])[C@@H](/N=c1/cc(-c2ccccc2)oc2ccc(Cl)cc21)c1ccccc1 ZINC000016755014 570914315 /nfs/dbraw/zinc/91/43/15/570914315.db2.gz STADGCXAPKVVAH-AEPTXUNZSA-N -1 0 389.838 5.480 40 0 GKABRM Cc1ccc(C)c(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])c1 ZINC000408886949 231124967 /nfs/dbraw/zinc/12/49/67/231124967.db2.gz KJTPSDCTUQKIHF-UHFFFAOYSA-N -1 0 388.492 5.373 40 0 GKABRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2cccc3ccccc32)cc1 ZINC000408970565 231138085 /nfs/dbraw/zinc/13/80/85/231138085.db2.gz BNICCUJHPAFWAE-UHFFFAOYSA-N -1 0 398.462 5.018 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000408997285 231143408 /nfs/dbraw/zinc/14/34/08/231143408.db2.gz NLVSEGRBDAGRMK-RNXOBYDBSA-N -1 0 391.470 6.009 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000408997277 231143707 /nfs/dbraw/zinc/14/37/07/231143707.db2.gz NLVSEGRBDAGRMK-AYRHNUGRSA-N -1 0 391.470 6.009 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000408996163 231143922 /nfs/dbraw/zinc/14/39/22/231143922.db2.gz LFVUBUJFKUVJCU-NYVOZVTQSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408998052 231144533 /nfs/dbraw/zinc/14/45/33/231144533.db2.gz HVHQDNOTCOWMNL-QHAWAJNXSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408998873 231144586 /nfs/dbraw/zinc/14/45/86/231144586.db2.gz QRPFLRQSDVUIDR-HMXCVIKNSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1Cc3ccccc3[C@H]21 ZINC000408998861 231144807 /nfs/dbraw/zinc/14/48/07/231144807.db2.gz QRPFLRQSDVUIDR-CEWLAPEOSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408998049 231144847 /nfs/dbraw/zinc/14/48/47/231144847.db2.gz HVHQDNOTCOWMNL-PCCBWWKXSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408998046 231144892 /nfs/dbraw/zinc/14/48/92/231144892.db2.gz HVHQDNOTCOWMNL-NJDAHSKKSA-N -1 0 375.855 5.509 40 0 GKABRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 ZINC000409116112 231165233 /nfs/dbraw/zinc/16/52/33/231165233.db2.gz LRWLQEHQVAZYTH-ODLFYWEKSA-N -1 0 377.421 5.039 40 0 GKABRM Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409121225 231165932 /nfs/dbraw/zinc/16/59/32/231165932.db2.gz TUBCTTWSPDVREC-UHFFFAOYSA-N -1 0 381.859 5.538 40 0 GKABRM Cc1ccc(NCc2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000409121060 231166204 /nfs/dbraw/zinc/16/62/04/231166204.db2.gz XNJDNRIYGAEZGL-UHFFFAOYSA-N -1 0 381.859 5.538 40 0 GKABRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)c1 ZINC000409107666 231162252 /nfs/dbraw/zinc/16/22/52/231162252.db2.gz SWNYGYAXVBGNAP-ZDLGFXPLSA-N -1 0 397.839 5.384 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013391351 210061593 /nfs/dbraw/zinc/06/15/93/210061593.db2.gz DFAYMQHKDUOYKS-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM CC1(C)Oc2ccc(C(=O)[O-])cc2[C@H]2O[C@H]3CCCCc4ccccc4[C@H]3C[C@@H]21 ZINC000257321610 212023673 /nfs/dbraw/zinc/02/36/73/212023673.db2.gz WCJFPMPMRJSTER-LCKKVJLRSA-N -1 0 392.495 5.512 40 0 GKABRM Cc1cc(C)cc(CCCCCCCCCCCCCCCCCC(=O)[O-])c1 ZINC000004803586 204076786 /nfs/dbraw/zinc/07/67/86/204076786.db2.gz FXSQUBCOUZECPL-UHFFFAOYSA-N -1 0 388.636 8.172 40 0 GKABRM Cc1cc([N-]C(=S)SCc2ccc3c(c2)OCO3)ccc1Br ZINC000006484553 204180362 /nfs/dbraw/zinc/18/03/62/204180362.db2.gz TYQYRRHVUWFHPE-UHFFFAOYSA-N -1 0 396.331 5.116 40 0 GKABRM COc1ccc(CSC(=S)[N-]c2ccc(C)c(Br)c2)cc1 ZINC000006488050 204180420 /nfs/dbraw/zinc/18/04/20/204180420.db2.gz ZZXDOUCTDQGASZ-UHFFFAOYSA-N -1 0 382.348 5.396 40 0 GKABRM S=C([N-]c1ccccc1)Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000006757252 204200477 /nfs/dbraw/zinc/20/04/77/204200477.db2.gz RHGFEYNDIGBWBX-UHFFFAOYSA-N -1 0 388.517 6.498 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013391419 204489951 /nfs/dbraw/zinc/48/99/51/204489951.db2.gz JRRUDXYQIIWPEE-UHFFFAOYSA-N -1 0 389.329 5.224 40 0 GKABRM CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000225109489 211883977 /nfs/dbraw/zinc/88/39/77/211883977.db2.gz FNFNLHALOFIGPQ-QHCPKHFHSA-N -1 0 390.479 5.851 40 0 GKABRM O=C([O-])[C@@H](Cc1cccc(Br)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225063517 211882414 /nfs/dbraw/zinc/88/24/14/211882414.db2.gz AXQLQRXXEUTKCH-HXUWFJFHSA-N -1 0 397.268 5.191 40 0 GKABRM O=S(=O)([N-]c1ccc2ccccc2c1)c1cc(Cl)c(Cl)cc1Cl ZINC000014257024 205163076 /nfs/dbraw/zinc/16/30/76/205163076.db2.gz RKIQBHSZHGWNBU-UHFFFAOYSA-N -1 0 386.687 5.601 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000222088451 211797551 /nfs/dbraw/zinc/79/75/51/211797551.db2.gz DGYNGOFUPMFDGT-GBNPZTFISA-N -1 0 398.300 5.444 40 0 GKABRM O=C([O-])[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc2ccccc2c1 ZINC000225110571 206038091 /nfs/dbraw/zinc/03/80/91/206038091.db2.gz YYMHRZXRZAPJDY-XMMPIXPASA-N -1 0 384.431 5.707 40 0 GKABRM Cc1ccc(S[C@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])cc1 ZINC000225132167 206038816 /nfs/dbraw/zinc/03/88/16/206038816.db2.gz HIKSUCRVCFJIHQ-OAQYLSRUSA-N -1 0 380.534 5.934 40 0 GKABRM CCCCn1nc(-c2cc(C(=O)[O-])ccc2OCC)cc1-c1ccccc1OC ZINC000257286378 206173333 /nfs/dbraw/zinc/17/33/33/206173333.db2.gz PLIQZCUTQPUBNA-UHFFFAOYSA-N -1 0 394.471 5.123 40 0 GKABRM C[C@@H]1O[C@@H]2c3cc(CCC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1F ZINC000257323773 206180051 /nfs/dbraw/zinc/18/00/51/206180051.db2.gz WLUDQGKYTGHTMH-FWNSJRBFSA-N -1 0 398.474 5.264 40 0 GKABRM CCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 ZINC000257323647 206180581 /nfs/dbraw/zinc/18/05/81/206180581.db2.gz WLGIKIHUDTYWHT-UHFFFAOYSA-N -1 0 396.462 5.038 40 0 GKABRM CC[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(F)cc1 ZINC000257326700 206180673 /nfs/dbraw/zinc/18/06/73/206180673.db2.gz WYFTVDFONSHKTQ-MCNSAMFCSA-N -1 0 384.447 5.335 40 0 GKABRM O=C([O-])c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1-n1cccc1 ZINC000000719965 206319466 /nfs/dbraw/zinc/31/94/66/206319466.db2.gz SGAAJNWINNAKJR-UHFFFAOYSA-N -1 0 396.471 6.119 40 0 GKABRM CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118925798 211473476 /nfs/dbraw/zinc/47/34/76/211473476.db2.gz WQJAOHOTDRGEIW-CYJWTYSHSA-N -1 0 390.564 5.298 40 0 GKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914797 211472839 /nfs/dbraw/zinc/47/28/39/211472839.db2.gz JVMCMMXFADJQKU-POAVHNMLSA-N -1 0 376.581 5.507 40 0 GKABRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000013440002 206974962 /nfs/dbraw/zinc/97/49/62/206974962.db2.gz RUUHEOBSTPDARA-UHFFFAOYSA-N -1 0 390.222 5.133 40 0 GKABRM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2Cl)c(Cl)cc1Cl ZINC000020138647 207178572 /nfs/dbraw/zinc/17/85/72/207178572.db2.gz OIHVRZWSUATQIB-UHFFFAOYSA-N -1 0 379.026 5.251 40 0 GKABRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000020140096 207178585 /nfs/dbraw/zinc/17/85/85/207178585.db2.gz GRLUUKJEQDDFLD-UHFFFAOYSA-N -1 0 390.222 5.133 40 0 GKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(=O)[O-])ccc3C)o2)cc1Cl ZINC000020145467 207180623 /nfs/dbraw/zinc/18/06/23/207180623.db2.gz CDVGQIXOGHOFTQ-CSKARUKUSA-N -1 0 395.842 5.567 40 0 GKABRM O=C([O-])c1ccc(Cl)c(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000020145358 207180813 /nfs/dbraw/zinc/18/08/13/207180813.db2.gz AMGWKZWFZHDLDR-JXMROGBWSA-N -1 0 385.778 5.089 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 ZINC000020150968 207180958 /nfs/dbraw/zinc/18/09/58/207180958.db2.gz ZMTXAQFEAZQGSK-PKNBQFBNSA-N -1 0 381.815 5.259 40 0 GKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000020140184 207179504 /nfs/dbraw/zinc/17/95/04/207179504.db2.gz WXNIGPUVGLLSIL-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM Cc1ccc(COc2c(Cl)cc(CCC(=O)[O-])cc2Br)cc1 ZINC000226342088 208474851 /nfs/dbraw/zinc/47/48/51/208474851.db2.gz WEMZMOXQFQDZRS-UHFFFAOYSA-N -1 0 383.669 5.007 40 0 GKABRM Cc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])cc1C ZINC000021005992 210374638 /nfs/dbraw/zinc/37/46/38/210374638.db2.gz ZDAOQKQSABAUPD-UHFFFAOYSA-N -1 0 386.904 5.759 40 0 GKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)[O-])cc3C)o2)cc1Cl ZINC000020145477 210320083 /nfs/dbraw/zinc/32/00/83/210320083.db2.gz KODVLMJWJCXXJJ-JXMROGBWSA-N -1 0 395.842 5.567 40 0 GKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)ccc1Cl ZINC000020145362 210319334 /nfs/dbraw/zinc/31/93/34/210319334.db2.gz YOVBLBQCDRSUEA-JXMROGBWSA-N -1 0 385.778 5.089 40 0 GKABRM Cc1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cccc1C(=O)[O-] ZINC000020140034 210318266 /nfs/dbraw/zinc/31/82/66/210318266.db2.gz YAJXTAQHBLEMCS-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM Cc1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1C(=O)[O-] ZINC000020139922 210317758 /nfs/dbraw/zinc/31/77/58/210317758.db2.gz JHXBOSFSIIAFGI-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM CCC[C@H](Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)S(=O)(=O)[O-] ZINC000255189061 209045764 /nfs/dbraw/zinc/04/57/64/209045764.db2.gz NLENSMYSTIREGV-MRXNPFEDSA-N -1 0 390.288 5.212 40 0 GKABRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)C(=O)[O-] ZINC000008860412 221060623 /nfs/dbraw/zinc/06/06/23/221060623.db2.gz ZECSOKFEQQDUCP-NOAXEJSESA-N -1 0 375.553 5.721 40 0 in-vitro GKABRM Cc1cc(C)c(OCC(=O)[O-])c(-c2cc(-c3ccc(F)cc3)n(CC(C)C)n2)c1 ZINC000257300494 209071019 /nfs/dbraw/zinc/07/10/19/209071019.db2.gz RUNDQARLHXJFLG-UHFFFAOYSA-N -1 0 396.462 5.092 40 0 GKABRM CC(C)[C@H]1O[C@H]2c3cc(-c4ccccc4)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)[O-] ZINC000257300007 209071588 /nfs/dbraw/zinc/07/15/88/209071588.db2.gz RSNXBFSDMNHSET-CZAYHTPWSA-N -1 0 380.484 5.328 40 0 GKABRM Cc1ccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc1 ZINC000257342890 209079099 /nfs/dbraw/zinc/07/90/99/209079099.db2.gz ZQMUOMGEQXOUKX-UHFFFAOYSA-N -1 0 393.458 5.672 40 0 GKABRM Clc1ccc(CN2CCCC[C@H]2c2ccnc([N-]c3nccs3)n2)cc1 ZINC000072377613 222243851 /nfs/dbraw/zinc/24/38/51/222243851.db2.gz REQPZJCIRAWBAE-KRWDZBQOSA-N -1 0 385.924 5.057 40 0 GKABRM COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccccc1 ZINC000408604528 533912808 /nfs/dbraw/zinc/91/28/08/533912808.db2.gz DPOKGAGPHZKLLF-UHFFFAOYSA-N -1 0 397.858 5.238 40 0 GKABRM COc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000408605522 533913500 /nfs/dbraw/zinc/91/35/00/533913500.db2.gz HMESKCFQMAIILH-UHFFFAOYSA-N -1 0 397.858 5.238 40 0 GKABRM Cc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408887664 534161736 /nfs/dbraw/zinc/16/17/36/534161736.db2.gz QEXPSSNESKOFIZ-UHFFFAOYSA-N -1 0 393.295 5.218 40 0 GKABRM Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)[O-])o3)n2)cc1 ZINC000408554443 534181977 /nfs/dbraw/zinc/18/19/77/534181977.db2.gz DXZKYHKPRTZJBS-UHFFFAOYSA-N -1 0 394.374 5.054 40 0 GKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)c1 ZINC000408602844 534550153 /nfs/dbraw/zinc/55/01/53/534550153.db2.gz BACRIKRIYDQUFH-UHFFFAOYSA-N -1 0 385.822 5.368 40 0 GKABRM CC(C)c1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@H]32)cc1 ZINC000409001925 528136889 /nfs/dbraw/zinc/13/68/89/528136889.db2.gz XZPKPKGCLKDEHV-SMIHKQSGSA-N -1 0 383.491 5.979 40 0 GKABRM CCc1ccc(C[C@@]2(C)CCc3cccc(-c4cccc(C(=O)[O-])c4)c3O2)cc1 ZINC000585265391 570232276 /nfs/dbraw/zinc/23/22/76/570232276.db2.gz BEIVDRUEORGQSZ-AREMUKBSSA-N -1 0 386.491 5.941 40 0 GKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2ccc(C)cc2)n1 ZINC000585265320 570232513 /nfs/dbraw/zinc/23/25/13/570232513.db2.gz JJPYCFYKOZWWCK-UHFFFAOYSA-N -1 0 397.858 5.386 40 0 GKABRM C[C@@]1(Cc2ccccc2F)CCc2ccc(-c3cccc(C(=O)[O-])c3)cc2O1 ZINC000585265940 570232662 /nfs/dbraw/zinc/23/26/62/570232662.db2.gz YZJPYGWAHGKKAO-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1Cl ZINC000020138593 570242250 /nfs/dbraw/zinc/24/22/50/570242250.db2.gz GZMWZBRWHLFLIS-UHFFFAOYSA-N -1 0 379.026 5.251 40 0 GKABRM CCCCOc1cccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000020141509 570242711 /nfs/dbraw/zinc/24/27/11/570242711.db2.gz MLXJIUAPAHPKES-UHFFFAOYSA-N -1 0 382.243 5.123 40 0 GKABRM CC[C@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000020142130 570242996 /nfs/dbraw/zinc/24/29/96/570242996.db2.gz KJGBUBWRBRWTPF-JTQLQIEISA-N -1 0 382.243 5.121 40 0 GKABRM O=C([O-])c1ccc2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)c(O)c3)ccc2c1 ZINC000098175222 570263597 /nfs/dbraw/zinc/26/35/97/570263597.db2.gz JGSNKQKHCVSYDV-UHFFFAOYSA-N -1 0 398.502 6.378 40 0 GKABRM C[C@]1(Cc2cccc(Cl)c2)CCc2cc(-c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000585265535 570320474 /nfs/dbraw/zinc/32/04/74/570320474.db2.gz HQERGNQUFHGBCD-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)[O-])c(CC(C)C)n2)c1 ZINC000585265411 570320530 /nfs/dbraw/zinc/32/05/30/570320530.db2.gz OKRJILZFDQJRII-UHFFFAOYSA-N -1 0 375.468 5.533 40 0 GKABRM CCCc1nc(CCc2ccc(C)cc2)c(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000585265565 570320645 /nfs/dbraw/zinc/32/06/45/570320645.db2.gz SVNCFNQWQZGQIG-UHFFFAOYSA-N -1 0 393.914 6.146 40 0 GKABRM C[C@@]1(Cc2cccc(Cl)c2)CCc2cc(-c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000585265534 570320647 /nfs/dbraw/zinc/32/06/47/570320647.db2.gz HQERGNQUFHGBCD-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM C[C@]1(Cc2cccc(Cl)c2)CCc2ccc(-c3cccc(C(=O)[O-])c3)cc2O1 ZINC000585265572 570320652 /nfs/dbraw/zinc/32/06/52/570320652.db2.gz KFAIWVHEDAZRBT-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM Cc1ccc(C)c(OCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)[O-])c1 ZINC000585265127 570320782 /nfs/dbraw/zinc/32/07/82/570320782.db2.gz HDXPSGLAHGIFSY-UHFFFAOYSA-N -1 0 391.467 5.430 40 0 GKABRM CC(C)c1nc(COc2ccccc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585264985 570320866 /nfs/dbraw/zinc/32/08/66/570320866.db2.gz AHUBJVRNCHTABN-UHFFFAOYSA-N -1 0 381.859 5.803 40 0 GKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(CCC3CCCCC3)n2)c1 ZINC000585265329 570321007 /nfs/dbraw/zinc/32/10/07/570321007.db2.gz LQCLXFXCUTYNFJ-UHFFFAOYSA-N -1 0 381.516 6.055 40 0 GKABRM CC(C)Cc1nc(Cc2ccc(F)cc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265081 570321016 /nfs/dbraw/zinc/32/10/16/570321016.db2.gz FQCBXQDHOUGLBN-UHFFFAOYSA-N -1 0 397.877 6.029 40 0 GKABRM C[C@@]1(Cc2cccc(F)c2)CCc2cc(-c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000585265800 570321142 /nfs/dbraw/zinc/32/11/42/570321142.db2.gz QKKOTXFAMSPPJV-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM C[C@]1(Cc2ccccc2Cl)CCc2cccc(-c3ccc(C(=O)[O-])cc3)c2O1 ZINC000585265960 570321175 /nfs/dbraw/zinc/32/11/75/570321175.db2.gz ZNYURUPCJANROZ-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM C[C@@]1(Cc2cccc(Cl)c2)CCc2ccc(-c3ccccc3C(=O)[O-])cc2O1 ZINC000585265891 570321207 /nfs/dbraw/zinc/32/12/07/570321207.db2.gz VNLWGIYXZIMWFX-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM C[C@]1(Cc2cccc(F)c2)CCc2cccc(-c3ccccc3C(=O)[O-])c2O1 ZINC000585265881 570321285 /nfs/dbraw/zinc/32/12/85/570321285.db2.gz UUZUWJZUSKQLEY-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(CCC2CCCC2)n1 ZINC000585266027 570321297 /nfs/dbraw/zinc/32/12/97/570321297.db2.gz ZOKGGMKCLAOHDM-UHFFFAOYSA-N -1 0 383.488 5.367 40 0 GKABRM CC(C)OC(=O)c1ccc2ccccc2c1-c1c(C(=O)[O-])ccc2ccccc21 ZINC000003843367 570351463 /nfs/dbraw/zinc/35/14/63/570351463.db2.gz SFGPGQFDUNXXNZ-UHFFFAOYSA-N -1 0 384.431 5.923 40 0 GKABRM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118915643 570366992 /nfs/dbraw/zinc/36/69/92/570366992.db2.gz WRMRAQBPFAXGNJ-DGKANLRJSA-N -1 0 388.548 5.218 40 0 in-vitro GKABRM Cc1ccc(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])cc1C ZINC000005023192 570424603 /nfs/dbraw/zinc/42/46/03/570424603.db2.gz VTBCBNOUWZBMKP-UHFFFAOYSA-N -1 0 388.492 5.951 40 0 GKABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1)CCCC2 ZINC000222964741 570433677 /nfs/dbraw/zinc/43/36/77/570433677.db2.gz WFIXLGMVECIJSZ-UHFFFAOYSA-N -1 0 393.508 5.042 40 0 GKABRM CC[C@H](O)CCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000005599056 570448420 /nfs/dbraw/zinc/44/84/20/570448420.db2.gz POIRXHMOZXDTBP-QHCPKHFHSA-N -1 0 384.645 7.644 40 0 GKABRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000223674077 570477940 /nfs/dbraw/zinc/47/79/40/570477940.db2.gz AOESBEGRBUSARW-UHFFFAOYSA-N -1 0 387.888 5.550 40 0 GKABRM Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000006962249 570499595 /nfs/dbraw/zinc/49/95/95/570499595.db2.gz UAXNKQCCYMROQB-PDGQHHTCSA-N -1 0 376.843 5.510 40 0 GKABRM COc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1 ZINC000008116546 570522323 /nfs/dbraw/zinc/52/23/23/570522323.db2.gz QLLGNBBMRONCPA-ZMOGYAJESA-N -1 0 395.842 5.376 40 0 GKABRM CCCc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(OC)c(OC)c1 ZINC000408756865 570544629 /nfs/dbraw/zinc/54/46/29/570544629.db2.gz UMKMBGJFOQEHKU-UHFFFAOYSA-N -1 0 398.484 5.222 40 0 GKABRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225091189 570547905 /nfs/dbraw/zinc/54/79/05/570547905.db2.gz UQGIRQQCNUXLPG-FQEVSTJZSA-N -1 0 387.262 5.735 40 0 GKABRM O=C([O-])[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1cccc2ccccc21 ZINC000225110526 570549935 /nfs/dbraw/zinc/54/99/35/570549935.db2.gz HHEYWQYQOKGTIB-DEOSSOPVSA-N -1 0 384.431 5.707 40 0 GKABRM O=C([O-])[C@H](Cc1ccccc1Sc1ccccc1)Oc1ccccc1Cl ZINC000225130658 570551084 /nfs/dbraw/zinc/55/10/84/570551084.db2.gz SICQHLSJWQXVMS-IBGZPJMESA-N -1 0 384.884 5.566 40 0 GKABRM Cc1ccc(S[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225134793 570551443 /nfs/dbraw/zinc/55/14/43/570551443.db2.gz DRQJCKPFUMLUPQ-OAQYLSRUSA-N -1 0 398.911 6.229 40 0 GKABRM Cc1cc(C)c(C)c(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225139509 570551635 /nfs/dbraw/zinc/55/16/35/570551635.db2.gz WSOLVKWMIKVTSO-QHCPKHFHSA-N -1 0 376.452 5.479 40 0 GKABRM O=C([O-])[C@H](Cc1ccccc1Oc1ccccc1)Oc1ccc2ccccc2c1 ZINC000225139809 570551963 /nfs/dbraw/zinc/55/19/63/570551963.db2.gz UIVPOUGYQYTFSO-DEOSSOPVSA-N -1 0 384.431 5.707 40 0 GKABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)oc1ccccc12 ZINC000225150847 570552074 /nfs/dbraw/zinc/55/20/74/570552074.db2.gz ICLACLILQVUQFX-UHFFFAOYSA-N -1 0 387.844 5.049 40 0 GKABRM CCCCCCOC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000004832466 570633490 /nfs/dbraw/zinc/63/34/90/570633490.db2.gz JBSLSZWLFYDHGN-FDRBHKFBSA-N -1 0 380.484 5.008 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408991691 570665816 /nfs/dbraw/zinc/66/58/16/570665816.db2.gz OWTUQDKBPRKSDX-NJDAHSKKSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000408992736 570691492 /nfs/dbraw/zinc/69/14/92/570691492.db2.gz BJQMWFNJLVJTSU-BVSLBCMMSA-N -1 0 375.855 5.509 40 0 GKABRM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000005260280 570732301 /nfs/dbraw/zinc/73/23/01/570732301.db2.gz NHOWIHYECVPEII-UHFFFAOYSA-N -1 0 378.280 5.461 40 0 GKABRM Cc1cccc(NCc2cc(Br)c([O-])c(Br)c2)c1C ZINC000225640713 570792438 /nfs/dbraw/zinc/79/24/38/570792438.db2.gz YQFXUYJTZILYDP-UHFFFAOYSA-N -1 0 385.099 5.146 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000004151467 570966821 /nfs/dbraw/zinc/96/68/21/570966821.db2.gz NBAJKPYUEOYRKT-CEMLEFRQSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000004151468 570966866 /nfs/dbraw/zinc/96/68/66/570966866.db2.gz NBAJKPYUEOYRKT-KSEOMHKRSA-N -1 0 375.855 5.509 40 0 GKABRM CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000090427699 570997145 /nfs/dbraw/zinc/99/71/45/570997145.db2.gz ZECSOKFEQQDUCP-XCFZHBOHSA-N -1 0 375.553 5.721 40 0 GKABRM Cc1ccc(COc2ccc3ccccc3c2CNc2cccc(C(=O)[O-])c2)cc1 ZINC000408612668 231080254 /nfs/dbraw/zinc/08/02/54/231080254.db2.gz UCMARAZCQKRBAM-UHFFFAOYSA-N -1 0 397.474 6.038 40 0 GKABRM Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)cc1Cl ZINC000408898997 231126082 /nfs/dbraw/zinc/12/60/82/231126082.db2.gz YYAODYXAOGZIHJ-UHFFFAOYSA-N -1 0 393.295 5.218 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000408996161 231143747 /nfs/dbraw/zinc/14/37/47/231143747.db2.gz LFVUBUJFKUVJCU-COPCDDAFSA-N -1 0 375.855 5.509 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 ZINC000409094271 231158089 /nfs/dbraw/zinc/15/80/89/231158089.db2.gz DCVZIVUTRHIGLS-ODLFYWEKSA-N -1 0 377.421 5.039 40 0 GKABRM O=C([O-])CCCCCCCCCCCCCCc1ccc(Cl)c(Cl)c1 ZINC000015443128 210159001 /nfs/dbraw/zinc/15/90/01/210159001.db2.gz FYSQGGGVGFUGIY-UHFFFAOYSA-N -1 0 387.391 7.692 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000257315352 222774411 /nfs/dbraw/zinc/77/44/11/222774411.db2.gz VAYMUQRQRQMHFB-OAQYLSRUSA-N -1 0 395.499 5.904 40 0 GKABRM Cc1cc2nc(-c3cc(Br)c([O-])c(Br)c3)oc2cc1C ZINC000226291201 212114381 /nfs/dbraw/zinc/11/43/81/212114381.db2.gz ONSPZLXLVMTWER-UHFFFAOYSA-N -1 0 397.066 5.342 40 0 GKABRM [O-]c1c(Br)cc(-c2nc3ccccc3s2)cc1Br ZINC000006943030 212070591 /nfs/dbraw/zinc/07/05/91/212070591.db2.gz QWTSWFYVSOHOFM-UHFFFAOYSA-N -1 0 385.080 5.194 40 0 GKABRM CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000299888826 212040480 /nfs/dbraw/zinc/04/04/80/212040480.db2.gz ZECSOKFEQQDUCP-NFHRHXGHSA-N -1 0 375.553 5.721 40 0 GKABRM CC(C)Cc1nc(CCc2ccccc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257309600 212022912 /nfs/dbraw/zinc/02/29/12/212022912.db2.gz UBOHMVCUQZNFCO-UHFFFAOYSA-N -1 0 377.459 5.570 40 0 GKABRM CC[C@@H](O)CCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000005004598 204102609 /nfs/dbraw/zinc/10/26/09/204102609.db2.gz POIRXHMOZXDTBP-HSZRJFAPSA-N -1 0 384.645 7.644 40 0 GKABRM CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OCC)cc1-c1cccc(F)c1 ZINC000257263876 212012089 /nfs/dbraw/zinc/01/20/89/212012089.db2.gz LRVDRGKSFTVRPB-UHFFFAOYSA-N -1 0 396.462 5.182 40 0 GKABRM CCCCC[C@H](O)/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)[O-])C2(C)C ZINC000025723448 204834204 /nfs/dbraw/zinc/83/42/04/204834204.db2.gz OHJIHGVLRDHSDV-BNAVIEMTSA-N -1 0 376.581 5.983 40 0 in-vitro GKABRM O=C([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000060206486 205180223 /nfs/dbraw/zinc/18/02/23/205180223.db2.gz DGYNGOFUPMFDGT-KDZDZWQKSA-N -1 0 398.300 5.444 40 0 GKABRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cccc(Sc3ccccc3)c2n1 ZINC000078401755 205373767 /nfs/dbraw/zinc/37/37/67/205373767.db2.gz JCVLEXFZMHOTSO-UHFFFAOYSA-N -1 0 386.476 6.136 40 0 GKABRM COc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1Cl ZINC000225123234 206037254 /nfs/dbraw/zinc/03/72/54/206037254.db2.gz RDPVEGOIWRKLPU-OAQYLSRUSA-N -1 0 382.843 5.090 40 0 GKABRM Cc1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225133051 206038399 /nfs/dbraw/zinc/03/83/99/206038399.db2.gz LPIJCSAQEIOWTK-OAQYLSRUSA-N -1 0 382.843 5.515 40 0 GKABRM O=C([O-])[C@H](Cc1ccccc1Sc1ccccc1)Oc1cccc(Cl)c1 ZINC000225130743 206038475 /nfs/dbraw/zinc/03/84/75/206038475.db2.gz DLEFPKPSQLQEKP-IBGZPJMESA-N -1 0 384.884 5.566 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000257235785 206164459 /nfs/dbraw/zinc/16/44/59/206164459.db2.gz GZKIKMVDQRNMSC-OAQYLSRUSA-N -1 0 395.499 5.904 40 0 GKABRM O=C([O-])c1cnc2c(Cl)ccc(CCCCCCc3ccccc3)c2c1O ZINC000001727981 206291816 /nfs/dbraw/zinc/29/18/16/206291816.db2.gz YJLNYPDBKYHCOY-UHFFFAOYSA-N -1 0 383.875 5.638 40 0 GKABRM O=C([O-])C[C@H](SCc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000073633152 208035299 /nfs/dbraw/zinc/03/52/99/208035299.db2.gz IUUQWDFKMNXNTI-QFIPXVFZSA-N -1 0 378.493 5.715 40 0 GKABRM C[C@H](CCC(=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 ZINC000004073983 208535974 /nfs/dbraw/zinc/53/59/74/208535974.db2.gz SMEROWZSTRWXGI-NWFSOSCSSA-N -1 0 376.581 5.507 40 0 endogenous,in-man GKABRM O=C([O-])c1cc(NC(=O)c2cccc3c(Cl)cccc23)c(Cl)cc1Cl ZINC000020138954 210318360 /nfs/dbraw/zinc/31/83/60/210318360.db2.gz UHNQJPUHTVTGRI-UHFFFAOYSA-N -1 0 394.641 5.751 40 0 GKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1Cl ZINC000020139874 210317497 /nfs/dbraw/zinc/31/74/97/210317497.db2.gz DNCLCDZCUQYFBY-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM Cc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000005023151 220812651 /nfs/dbraw/zinc/81/26/51/220812651.db2.gz RQYHSZXHLFXQCN-UHFFFAOYSA-N -1 0 393.295 5.796 40 0 GKABRM CC(C)(C)[C@@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000253537565 209044314 /nfs/dbraw/zinc/04/43/14/209044314.db2.gz POZRNKOKPSXTQY-CQSZACIVSA-N -1 0 384.570 5.732 40 0 GKABRM CC(C)Cc1nc(Cc2cccc(F)c2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257206820 209055401 /nfs/dbraw/zinc/05/54/01/209055401.db2.gz BEZZCCSBWOFPEF-UHFFFAOYSA-N -1 0 381.422 5.514 40 0 GKABRM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000007603873 221001919 /nfs/dbraw/zinc/00/19/19/221001919.db2.gz JVTIZQFVYMBEHQ-UHFFFAOYSA-N -1 0 375.635 5.323 40 0 GKABRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000013094948 221260835 /nfs/dbraw/zinc/26/08/35/221260835.db2.gz TUWMDZOWTABHKA-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000020142127 221474507 /nfs/dbraw/zinc/47/45/07/221474507.db2.gz KJGBUBWRBRWTPF-SNVBAGLBSA-N -1 0 382.243 5.121 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000257270488 209064921 /nfs/dbraw/zinc/06/49/21/209064921.db2.gz MULGOUJPBVYQMC-OAQYLSRUSA-N -1 0 395.499 5.904 40 0 GKABRM O=C([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n2)cc1 ZINC000257343234 209078812 /nfs/dbraw/zinc/07/88/12/209078812.db2.gz ZSAZGYOBOKFJEO-UHFFFAOYSA-N -1 0 388.854 5.617 40 0 GKABRM C[C@@H]1O[C@@H]2c3ccc(C(=O)[O-])cc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257335909 209079175 /nfs/dbraw/zinc/07/91/75/209079175.db2.gz YMKDANBUEMXFHV-UZOFFHRFSA-N -1 0 386.875 5.459 40 0 GKABRM COc1cc(COc2ccc(Cl)cc2C(=O)[O-])ccc1OCc1ccccc1 ZINC000408540293 533918558 /nfs/dbraw/zinc/91/85/58/533918558.db2.gz PRKLLPZPEAFHEM-UHFFFAOYSA-N -1 0 398.842 5.205 40 0 GKABRM O=C([O-])c1cc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)ccc1Cl ZINC000409116441 534541755 /nfs/dbraw/zinc/54/17/55/534541755.db2.gz MMPXLRMMGOFYQF-ZDLGFXPLSA-N -1 0 397.839 5.384 40 0 GKABRM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1 ZINC000408614069 534548741 /nfs/dbraw/zinc/54/87/41/534548741.db2.gz XYZUPYCIOFIHEC-UHFFFAOYSA-N -1 0 385.822 5.368 40 0 GKABRM O=C([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc43)cc2)c1 ZINC000408605394 534549089 /nfs/dbraw/zinc/54/90/89/534549089.db2.gz GXFFIOABDZSUMY-UHFFFAOYSA-N -1 0 383.447 5.729 40 0 GKABRM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)c1 ZINC000408607315 534550117 /nfs/dbraw/zinc/55/01/17/534550117.db2.gz JWDJDRTWVXBXCC-UHFFFAOYSA-N -1 0 385.822 5.368 40 0 GKABRM O=C1S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1CC1CCCCC1 ZINC000409132768 534822456 /nfs/dbraw/zinc/82/24/56/534822456.db2.gz REZABEZSBXKCRA-RIYZIHGNSA-N -1 0 386.300 5.316 40 0 GKABRM CC(C)c1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409001926 528136447 /nfs/dbraw/zinc/13/64/47/528136447.db2.gz XZPKPKGCLKDEHV-VXNXHJTFSA-N -1 0 383.491 5.979 40 0 GKABRM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000408995045 528136930 /nfs/dbraw/zinc/13/69/30/528136930.db2.gz IGFWKTPZFNFQPP-HVCNVCAESA-N -1 0 383.491 5.979 40 0 GKABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccc(C)cc1 ZINC000408608422 528286862 /nfs/dbraw/zinc/28/68/62/528286862.db2.gz LNIBXCJPVSPOBH-UHFFFAOYSA-N -1 0 391.467 5.283 40 0 GKABRM CCOc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])cc1 ZINC000408894721 528355330 /nfs/dbraw/zinc/35/53/30/528355330.db2.gz IWOWTCZUYQBDIO-UHFFFAOYSA-N -1 0 388.876 5.233 40 0 GKABRM CCCCSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2s1 ZINC000408751027 528745261 /nfs/dbraw/zinc/74/52/61/528745261.db2.gz VOMWLIBKTVRRBZ-KBPBESRZSA-N -1 0 392.546 5.018 40 0 GKABRM CCCCC[C@@H](O)/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)[O-])C2(C)C ZINC000013650342 560220081 /nfs/dbraw/zinc/22/00/81/560220081.db2.gz OHJIHGVLRDHSDV-PUYXBYOHSA-N -1 0 376.581 5.983 40 0 in-vitro GKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2cccc(F)c2)n1 ZINC000585264988 570232231 /nfs/dbraw/zinc/23/22/31/570232231.db2.gz DEGPVUQCILNAOV-UHFFFAOYSA-N -1 0 399.849 5.619 40 0 GKABRM C[C@]1(Cc2ccccc2F)CCc2ccc(-c3cccc(C(=O)[O-])c3)cc2O1 ZINC000585265942 570232879 /nfs/dbraw/zinc/23/28/79/570232879.db2.gz YZJPYGWAHGKKAO-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM CCc1ccc(C[C@]2(C)CCc3cc(-c4ccccc4C(=O)[O-])ccc3O2)cc1 ZINC000585265554 570232917 /nfs/dbraw/zinc/23/29/17/570232917.db2.gz JHAOHUKNQZBESK-SANMLTNESA-N -1 0 386.491 5.941 40 0 GKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2ccc(F)cc2)n1 ZINC000585265882 570232980 /nfs/dbraw/zinc/23/29/80/570232980.db2.gz TZDGTQZLNHMILO-UHFFFAOYSA-N -1 0 399.849 5.619 40 0 GKABRM O=C([O-])c1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1Cl ZINC000006251977 570236906 /nfs/dbraw/zinc/23/69/06/570236906.db2.gz GBMXXRXSMCQHFD-OAQYLSRUSA-N -1 0 396.895 6.145 40 0 GKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)cc1Cl ZINC000020138843 570242389 /nfs/dbraw/zinc/24/23/89/570242389.db2.gz PUTVYGAUIWMFIH-UHFFFAOYSA-N -1 0 386.234 5.611 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020139976 570242511 /nfs/dbraw/zinc/24/25/11/570242511.db2.gz BEWGVLDVRJWYRS-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)o2)cc1Cl ZINC000020140306 570242602 /nfs/dbraw/zinc/24/26/02/570242602.db2.gz CGHSAHXGNMGTFS-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000020145117 570243691 /nfs/dbraw/zinc/24/36/91/570243691.db2.gz ZGVVLOMJFRPFQS-VMPITWQZSA-N -1 0 378.255 5.467 40 0 GKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(CC(=O)[O-])cc3)o2)cc1Cl ZINC000020145483 570243655 /nfs/dbraw/zinc/24/36/55/570243655.db2.gz WDQDXXBRFYBJIX-PKNBQFBNSA-N -1 0 395.842 5.187 40 0 GKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000020145423 570243707 /nfs/dbraw/zinc/24/37/07/570243707.db2.gz ACUSAXFIXPVMOY-JXMROGBWSA-N -1 0 385.778 5.089 40 0 GKABRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000020145431 570243741 /nfs/dbraw/zinc/24/37/41/570243741.db2.gz PLTVYNFGJFCNHP-JXMROGBWSA-N -1 0 399.805 5.018 40 0 GKABRM O=C([O-])[C@@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl ZINC000001581041 570265259 /nfs/dbraw/zinc/26/52/59/570265259.db2.gz ZYQZYUXIOLORDO-UGKGYDQZSA-N -1 0 378.855 5.565 40 0 GKABRM Cc1cc(C)c(O)c(Cc2cc(Cl)cc(Cc3cc(C)cc(C)c3O)c2[O-])c1 ZINC000001679638 570267381 /nfs/dbraw/zinc/26/73/81/570267381.db2.gz JQFAJTWMDXQZOR-UHFFFAOYSA-N -1 0 396.914 5.872 40 0 GKABRM CCCCc1ccc(-c2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000585090222 570319749 /nfs/dbraw/zinc/31/97/49/570319749.db2.gz OAJNNMJBUIHICV-UHFFFAOYSA-N -1 0 383.491 6.397 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000217681368 570320222 /nfs/dbraw/zinc/32/02/22/570320222.db2.gz LQRFBQYOWQVTGJ-ZGXYDKCCSA-N -1 0 398.300 5.444 40 0 GKABRM CCc1ccc(C[C@@]2(C)CCc3cc(-c4ccccc4C(=O)[O-])ccc3O2)cc1 ZINC000585265553 570320520 /nfs/dbraw/zinc/32/05/20/570320520.db2.gz JHAOHUKNQZBESK-AREMUKBSSA-N -1 0 386.491 5.941 40 0 GKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(Cc3ccc(F)cc3)n2)c1 ZINC000585265371 570320549 /nfs/dbraw/zinc/32/05/49/570320549.db2.gz MYAZBIZDKAYXNB-UHFFFAOYSA-N -1 0 379.431 5.272 40 0 GKABRM C[C@@]1(Cc2cccc(Cl)c2)CCc2ccc(-c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000585265452 570320553 /nfs/dbraw/zinc/32/05/53/570320553.db2.gz DXLYBCJYWMJUME-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM C[C@@]1(Cc2ccccc2Cl)CCc2ccc(-c3ccccc3C(=O)[O-])cc2O1 ZINC000585265443 570320564 /nfs/dbraw/zinc/32/05/64/570320564.db2.gz DMIKCRQAUVASIM-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2ccccc2)n1 ZINC000585265486 570320638 /nfs/dbraw/zinc/32/06/38/570320638.db2.gz MYUUYWDFZFAYIS-UHFFFAOYSA-N -1 0 381.859 5.478 40 0 GKABRM Cc1cccc(OCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)[O-])c1 ZINC000585264971 570320814 /nfs/dbraw/zinc/32/08/14/570320814.db2.gz CNIDEPDNZIRVFZ-UHFFFAOYSA-N -1 0 377.440 5.121 40 0 GKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CCC2CCCC2)n1 ZINC000585265338 570320825 /nfs/dbraw/zinc/32/08/25/570320825.db2.gz JSUKBOXERNRYHQ-UHFFFAOYSA-N -1 0 387.907 6.012 40 0 GKABRM CCCc1ccc(OCc2nc(-c3ccccc3OCC)ccc2C(=O)[O-])cc1 ZINC000585264878 570320917 /nfs/dbraw/zinc/32/09/17/570320917.db2.gz AJAKWRHBFLLQJG-UHFFFAOYSA-N -1 0 391.467 5.377 40 0 GKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CCc2ccc(C)cc2)n1 ZINC000585265335 570320954 /nfs/dbraw/zinc/32/09/54/570320954.db2.gz JPCAXPOLRNBUNW-UHFFFAOYSA-N -1 0 395.886 5.593 40 0 GKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2cccc(F)c2)n1 ZINC000585264967 570320999 /nfs/dbraw/zinc/32/09/99/570320999.db2.gz CKDFEWQPSILXAG-UHFFFAOYSA-N -1 0 385.822 5.229 40 0 GKABRM CC(C)Cc1nc(COc2ccccc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265128 570321003 /nfs/dbraw/zinc/32/10/03/570321003.db2.gz GYARPFLVHXYDKY-UHFFFAOYSA-N -1 0 395.886 5.878 40 0 GKABRM C[C@]1(Cc2cccc(Cl)c2)CCc2cc(-c3ccccc3C(=O)[O-])ccc2O1 ZINC000585265906 570321113 /nfs/dbraw/zinc/32/11/13/570321113.db2.gz WIDVVUUFMSKQRH-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM C[C@]1(Cc2cccc(F)c2)CCc2ccc(-c3cccc(C(=O)[O-])c3)cc2O1 ZINC000585265930 570321135 /nfs/dbraw/zinc/32/11/35/570321135.db2.gz XUEHPGKETGEPNX-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000585265856 570321138 /nfs/dbraw/zinc/32/11/38/570321138.db2.gz SRLMSCLFAWSSPJ-UHFFFAOYSA-N -1 0 395.886 5.674 40 0 GKABRM CCCOc1cc(OC)ccc1-c1ccc(C(=O)[O-])c(CCC2CCCC2)n1 ZINC000585266034 570321247 /nfs/dbraw/zinc/32/12/47/570321247.db2.gz ZWQZUKXJKVZCIZ-UHFFFAOYSA-N -1 0 383.488 5.367 40 0 GKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2cccc(C)c2)n1 ZINC000585265978 570321275 /nfs/dbraw/zinc/32/12/75/570321275.db2.gz WPOWXROSVOGXKE-UHFFFAOYSA-N -1 0 377.440 5.123 40 0 GKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000004293097 570366160 /nfs/dbraw/zinc/36/61/60/570366160.db2.gz OBUOWZOYJNAMCZ-JJTPVCGBSA-N -1 0 376.581 5.507 40 0 GKABRM C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000118913472 570366698 /nfs/dbraw/zinc/36/66/98/570366698.db2.gz BQOYUBWEBGKHDA-BOPJXXHASA-N -1 0 376.537 5.196 40 0 GKABRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118925790 570368435 /nfs/dbraw/zinc/36/84/35/570368435.db2.gz WQJAOHOTDRGEIW-RKBWQROOSA-N -1 0 390.564 5.298 40 0 GKABRM O=C(CN(c1n[n-]c(=S)s1)c1ccccc1)Nc1cccc2ccccc21 ZINC000008436107 570380223 /nfs/dbraw/zinc/38/02/23/570380223.db2.gz SJCQSXSZOGYXBK-UHFFFAOYSA-N -1 0 392.509 5.131 40 0 GKABRM O=C([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000222088323 570407296 /nfs/dbraw/zinc/40/72/96/570407296.db2.gz DGYNGOFUPMFDGT-RWAJRPSYSA-N -1 0 398.300 5.444 40 0 GKABRM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c([O-])c(Cl)c3)N21 ZINC000222667267 570419492 /nfs/dbraw/zinc/41/94/92/570419492.db2.gz HYGUTWOZFHLNII-XFBWCDHKSA-N -1 0 394.327 5.073 40 0 GKABRM CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c([O-])c(Cl)c3)N21 ZINC000222667464 570419568 /nfs/dbraw/zinc/41/95/68/570419568.db2.gz HYGUTWOZFHLNII-IUIKQTSFSA-N -1 0 394.327 5.073 40 0 GKABRM O=C([O-])CCCCCCCCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005568163 570446724 /nfs/dbraw/zinc/44/67/24/570446724.db2.gz LAESIFQRUWUFPG-UHFFFAOYSA-N -1 0 389.323 5.710 40 0 GKABRM O=C([O-])c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000226340571 570460430 /nfs/dbraw/zinc/46/04/30/570460430.db2.gz DZNSRJWWVQQKDE-UHFFFAOYSA-N -1 0 391.648 5.533 40 0 GKABRM COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccs1 ZINC000223657055 570477060 /nfs/dbraw/zinc/47/70/60/570477060.db2.gz FSSWTVJEZXIIFW-UHFFFAOYSA-N -1 0 395.889 5.003 40 0 GKABRM Cc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1Br ZINC000211502801 570491858 /nfs/dbraw/zinc/49/18/58/570491858.db2.gz VQAVKHVPDBUGPS-DHDCSXOGSA-N -1 0 390.258 5.117 40 0 GKABRM CCn1c(S/C(=C\c2ccc(C)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000211522330 570492197 /nfs/dbraw/zinc/49/21/97/570492197.db2.gz QKLSQQLFBCOHJE-ATVHPVEESA-N -1 0 399.903 5.145 40 0 GKABRM Cc1cc(C)c(C)c(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)[O-])c1 ZINC000225110352 570549804 /nfs/dbraw/zinc/54/98/04/570549804.db2.gz MUCSLGRIBGFVPF-HSZRJFAPSA-N -1 0 376.452 5.479 40 0 GKABRM Cc1ccc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])cc1C ZINC000225131741 570550974 /nfs/dbraw/zinc/55/09/74/570550974.db2.gz OYGXJNQGMISBRS-NRFANRHFSA-N -1 0 378.493 5.529 40 0 GKABRM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Sc1ccccc1 ZINC000225134662 570551342 /nfs/dbraw/zinc/55/13/42/570551342.db2.gz RVQCJPZDCRHGKJ-HXUWFJFHSA-N -1 0 384.884 5.920 40 0 GKABRM COc1cccc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225134202 570551464 /nfs/dbraw/zinc/55/14/64/570551464.db2.gz NXBDWYWGVOPOCW-OAQYLSRUSA-N -1 0 398.842 5.216 40 0 GKABRM O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)OCc1ccccc1 ZINC000225135484 570551488 /nfs/dbraw/zinc/55/14/88/570551488.db2.gz SXYGLDMACLKDLI-NRFANRHFSA-N -1 0 382.843 5.345 40 0 GKABRM Cc1cccc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225133105 570551525 /nfs/dbraw/zinc/55/15/25/570551525.db2.gz CYJYWYLOOCZXHV-NRFANRHFSA-N -1 0 382.843 5.515 40 0 GKABRM CC(C)c1ccccc1O[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000225139144 570551812 /nfs/dbraw/zinc/55/18/12/570551812.db2.gz PRWWHWXDYGRHMD-QHCPKHFHSA-N -1 0 376.452 5.677 40 0 GKABRM CC(C)(C)c1ccccc1O[C@H](Cc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000225138728 570551937 /nfs/dbraw/zinc/55/19/37/570551937.db2.gz BTGHWVCGHSVXML-HSZRJFAPSA-N -1 0 390.479 5.851 40 0 GKABRM Cc1cc2nc(-c3ccc(SCc4ccc(C(=O)[O-])cc4)nc3)[nH]c2cc1C ZINC000001329782 570567828 /nfs/dbraw/zinc/56/78/28/570567828.db2.gz LUOLJCHANBCQCP-UHFFFAOYSA-N -1 0 389.480 5.232 40 0 GKABRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000225593770 570592246 /nfs/dbraw/zinc/59/22/46/570592246.db2.gz LLIFDGPNVNUYHA-UHFFFAOYSA-N -1 0 391.851 5.381 40 0 GKABRM O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)Nc4cc(C(F)(F)F)ccc43)o2)c1 ZINC000409106942 570700114 /nfs/dbraw/zinc/70/01/14/570700114.db2.gz NMUCMXBQUUNGHK-YBEGLDIGSA-N -1 0 399.324 5.156 40 0 GKABRM O=C([O-])[C@@H](/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc21)c1ccccc1 ZINC000103927578 570726422 /nfs/dbraw/zinc/72/64/22/570726422.db2.gz STADGCXAPKVVAH-ZUGOUDHMSA-N -1 0 389.838 5.480 40 0 GKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCC[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000005230500 570731878 /nfs/dbraw/zinc/73/18/78/570731878.db2.gz WWVQLMQJZZQLPX-JWKYTXFZSA-N -1 0 390.652 7.563 40 0 GKABRM O=C([O-])CCC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 ZINC000148683084 570786918 /nfs/dbraw/zinc/78/69/18/570786918.db2.gz IFDLUDPAFSQILL-UHFFFAOYSA-N -1 0 393.483 5.093 40 0 GKABRM Cc1[n-]n2c(nc(C)c(Cc3cccc4ccccc43)c2=O)c1-c1ccccc1 ZINC000014163593 570878828 /nfs/dbraw/zinc/87/88/28/570878828.db2.gz SZEZPIDXTZQFCU-UHFFFAOYSA-N -1 0 379.463 5.050 40 0 GKABRM C[C@H](CCC(=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 ZINC000006036227 570899024 /nfs/dbraw/zinc/89/90/24/570899024.db2.gz SMEROWZSTRWXGI-WFVDQZAMSA-N -1 0 376.581 5.507 40 0 endogenous,in-man GKABRM O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2c3c(cccc31)CC2 ZINC000107539425 570974481 /nfs/dbraw/zinc/97/44/81/570974481.db2.gz QYLASYGUBPPCAW-UHFFFAOYSA-N -1 0 378.280 5.046 40 0 GKABRM Cc1ccc(C)c(NCc2cc(Br)c([O-])c(Br)c2)c1 ZINC000235866316 570976447 /nfs/dbraw/zinc/97/64/47/570976447.db2.gz ZGBIHRVZMGPSSH-UHFFFAOYSA-N -1 0 385.099 5.146 40 0 GKABRM O=C([O-])CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000095748848 571094573 /nfs/dbraw/zinc/09/45/73/571094573.db2.gz IHSMTAHISORELK-UHFFFAOYSA-N -1 0 396.490 5.131 40 0 GKABRM Cc1ccc(COc2ccc(Cl)cc2CNc2cccc(C(=O)[O-])c2)cc1 ZINC000408604564 231076455 /nfs/dbraw/zinc/07/64/55/231076455.db2.gz DUXPROGDWAVMQB-UHFFFAOYSA-N -1 0 381.859 5.538 40 0 GKABRM O=C([O-])c1cccc(NCc2cn(Cc3cccc(Cl)c3)c3ccccc23)c1 ZINC000408607276 231077782 /nfs/dbraw/zinc/07/77/82/231077782.db2.gz JPNXPQMJWRMFHM-UHFFFAOYSA-N -1 0 390.870 5.653 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000408996159 231143414 /nfs/dbraw/zinc/14/34/14/231143414.db2.gz LFVUBUJFKUVJCU-BVYCBKJFSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1Cc3ccccc3[C@H]21 ZINC000408998050 231144820 /nfs/dbraw/zinc/14/48/20/231144820.db2.gz HVHQDNOTCOWMNL-PWRODBHTSA-N -1 0 375.855 5.509 40 0 GKABRM Cc1ccc(S[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225134755 222670278 /nfs/dbraw/zinc/67/02/78/222670278.db2.gz DRQJCKPFUMLUPQ-NRFANRHFSA-N -1 0 398.911 6.229 40 0 GKABRM Cc1cc(C)cc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])c1 ZINC000225131055 222670618 /nfs/dbraw/zinc/67/06/18/222670618.db2.gz PQTZIRRHDCJNPN-NRFANRHFSA-N -1 0 378.493 5.529 40 0 GKABRM CC(C)c1ccc([C@@H](CC(=O)c2ccccc2)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000001859427 212259064 /nfs/dbraw/zinc/25/90/64/212259064.db2.gz MDTBRRQJXPODOI-ILBGXUMGSA-N -1 0 386.491 6.035 40 0 GKABRM Cc1ccc2oc(-c3cc(Br)c([O-])c(Br)c3)nc2c1 ZINC000226291191 209186952 /nfs/dbraw/zinc/18/69/52/209186952.db2.gz NVNDHBJNCNMATC-UHFFFAOYSA-N -1 0 383.039 5.034 40 0 GKABRM CCOc1ccc([C@H]2C[C@H]3[C@H](O[C@@H]2C)c2cc(C(=O)[O-])ccc2OC3(C)C)cc1 ZINC000257298312 212020103 /nfs/dbraw/zinc/02/01/03/212020103.db2.gz RLDYZVICVAEVRO-XBTSVGFCSA-N -1 0 396.483 5.204 40 0 GKABRM CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 ZINC000257284947 212018831 /nfs/dbraw/zinc/01/88/31/212018831.db2.gz PEZDXPXJECYWDA-UHFFFAOYSA-N -1 0 382.435 5.109 40 0 GKABRM O=C([O-])c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]21 ZINC000004151483 204028999 /nfs/dbraw/zinc/02/89/99/204028999.db2.gz DGYNGOFUPMFDGT-HIPDZTLRSA-N -1 0 398.300 5.444 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000004151493 204029714 /nfs/dbraw/zinc/02/97/14/204029714.db2.gz KWRGCTBNJCAWIA-RMXLQIEMSA-N -1 0 387.401 5.700 40 0 GKABRM O=C([O-])[C@@H](Sc1nc2c(c(-c3cccs3)n1)CCCC2)c1ccccc1 ZINC000016477170 204596315 /nfs/dbraw/zinc/59/63/15/204596315.db2.gz YIABJTWHAUGICI-SFHVURJKSA-N -1 0 382.510 5.002 40 0 GKABRM O=C([O-])c1ccccc1Nc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 ZINC000078401565 205374445 /nfs/dbraw/zinc/37/44/45/205374445.db2.gz SQTVSGLWFKTSBD-UHFFFAOYSA-N -1 0 390.826 6.122 40 0 GKABRM Cc1cc(Nc2ccccc2C(=O)[O-])c2cccc(Sc3ccccc3)c2n1 ZINC000078401758 205374854 /nfs/dbraw/zinc/37/48/54/205374854.db2.gz BRGGQRXLHFGENI-UHFFFAOYSA-N -1 0 386.476 6.136 40 0 GKABRM COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000223657390 206004528 /nfs/dbraw/zinc/00/45/28/206004528.db2.gz ISOLGHONAXJYNS-UHFFFAOYSA-N -1 0 395.889 5.003 40 0 GKABRM CC(C)(C)c1ccc(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)[O-])cc1 ZINC000225109622 206037198 /nfs/dbraw/zinc/03/71/98/206037198.db2.gz FTQKIYHWZFXYME-HSZRJFAPSA-N -1 0 390.479 5.851 40 0 GKABRM O=C([O-])[C@H](Cc1ccc(Oc2ccccc2)cc1)Sc1ccc(Cl)cc1 ZINC000225110881 206037359 /nfs/dbraw/zinc/03/73/59/206037359.db2.gz DZGKWLNDJXZSIK-FQEVSTJZSA-N -1 0 384.884 5.920 40 0 GKABRM CC(C)c1ccccc1O[C@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000225131352 206038622 /nfs/dbraw/zinc/03/86/22/206038622.db2.gz AGOUHVZFAOZRAR-JOCHJYFZSA-N -1 0 392.520 6.036 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257272162 206169977 /nfs/dbraw/zinc/16/99/77/206169977.db2.gz NBHFSBNXKVPUCP-OAQYLSRUSA-N -1 0 395.499 5.904 40 0 GKABRM CCCc1nc(COc2cccc(C)c2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257341581 206182023 /nfs/dbraw/zinc/18/20/23/206182023.db2.gz ZKYLOUSPCLYSIN-UHFFFAOYSA-N -1 0 379.431 5.426 40 0 GKABRM CCCc1nc(COc2cc(C)ccc2C)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257333582 206182396 /nfs/dbraw/zinc/18/23/96/206182396.db2.gz YCDXNEWZOARWKG-UHFFFAOYSA-N -1 0 393.458 5.734 40 0 GKABRM O=C([O-])CCCCCCCCCCCCCCCCCCCCCCCO ZINC000014510325 206261830 /nfs/dbraw/zinc/26/18/30/206261830.db2.gz OVBKVWSHXDCSTK-UHFFFAOYSA-N -1 0 384.645 7.646 40 0 in-vitro GKABRM O=C([O-])c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1Cl ZINC000020144916 207180883 /nfs/dbraw/zinc/18/08/83/207180883.db2.gz DSAASTRVXWGNBE-UHFFFAOYSA-N -1 0 387.863 5.103 40 0 GKABRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000020139964 207179314 /nfs/dbraw/zinc/17/93/14/207179314.db2.gz DHQGCLJOCWKFNP-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM O=C([O-])Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(F)cc1 ZINC000021006008 207225052 /nfs/dbraw/zinc/22/50/52/207225052.db2.gz IWKXJSZAPMNKDM-UHFFFAOYSA-N -1 0 396.365 5.339 40 0 GKABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1sc2ccccc2c1Cl ZINC000020139488 210318894 /nfs/dbraw/zinc/31/88/94/210318894.db2.gz FDZNSXOLWHKKJM-UHFFFAOYSA-N -1 0 396.251 5.167 40 0 GKABRM CCc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000019894579 210305852 /nfs/dbraw/zinc/30/58/52/210305852.db2.gz QEUKZFGAONFWLE-UHFFFAOYSA-N -1 0 386.904 5.705 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@H]1c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000257272161 209064212 /nfs/dbraw/zinc/06/42/12/209064212.db2.gz NBHFSBNXKVPUCP-NRFANRHFSA-N -1 0 395.499 5.904 40 0 GKABRM O=c1cc([O-])c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2[nH]1)CCCC4 ZINC000009703045 221089758 /nfs/dbraw/zinc/08/97/58/221089758.db2.gz LQQOHVJANQAYPS-UHFFFAOYSA-N -1 0 382.872 5.043 40 0 GKABRM CC(C)Cc1nc(COc2ccccc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257276787 209066024 /nfs/dbraw/zinc/06/60/24/209066024.db2.gz NVCDIXXJXBZNHE-UHFFFAOYSA-N -1 0 379.431 5.363 40 0 GKABRM CC[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(F)cc1 ZINC000257326699 209076237 /nfs/dbraw/zinc/07/62/37/209076237.db2.gz WYFTVDFONSHKTQ-BOFXEDATSA-N -1 0 384.447 5.335 40 0 GKABRM O=C([O-])c1cc(-c2ccc(C(=S)N3CCc4ccccc4C3)o2)ccc1Cl ZINC000409197861 534541991 /nfs/dbraw/zinc/54/19/91/534541991.db2.gz QIVIDXBASLDTGZ-UHFFFAOYSA-N -1 0 397.883 5.032 40 0 GKABRM O=C([O-])c1cccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000408610284 534548622 /nfs/dbraw/zinc/54/86/22/534548622.db2.gz OSJCSMJCQQCUNE-UHFFFAOYSA-N -1 0 385.822 5.368 40 0 GKABRM O=C1S/C(=C/c2cc(Cl)cc(Cl)c2[O-])C(=O)N1CC1CCCCC1 ZINC000409126770 534822407 /nfs/dbraw/zinc/82/24/07/534822407.db2.gz PGTNVEAMLBCWBI-VGOFMYFVSA-N -1 0 386.300 5.316 40 0 GKABRM O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000106691478 534823735 /nfs/dbraw/zinc/82/37/35/534823735.db2.gz USKZJPUHCUIQIB-AUWJEWJLSA-N -1 0 398.242 5.075 40 0 GKABRM CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1C(=O)[O-] ZINC000409337134 527723025 /nfs/dbraw/zinc/72/30/25/527723025.db2.gz XNRDUUIBKFBAJW-SANMLTNESA-N -1 0 399.490 5.520 40 0 GKABRM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000408995046 528136534 /nfs/dbraw/zinc/13/65/34/528136534.db2.gz IGFWKTPZFNFQPP-VJTSUQJLSA-N -1 0 383.491 5.979 40 0 GKABRM CC(C)c1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000409001924 528136718 /nfs/dbraw/zinc/13/67/18/528136718.db2.gz XZPKPKGCLKDEHV-SGNDLWITSA-N -1 0 383.491 5.979 40 0 GKABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1cccc(F)c1 ZINC000408603775 528287059 /nfs/dbraw/zinc/28/70/59/528287059.db2.gz CRONWBQOXDLKFC-UHFFFAOYSA-N -1 0 395.430 5.114 40 0 GKABRM CCOc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)[O-])s2)cc1 ZINC000408889873 528556634 /nfs/dbraw/zinc/55/66/34/528556634.db2.gz KFMXFQBWOLCQOA-UHFFFAOYSA-N -1 0 396.512 5.703 40 0 GKABRM CCOc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000409002233 528603245 /nfs/dbraw/zinc/60/32/45/528603245.db2.gz ZHTSQFSHLQCXOX-VJBWXMMDSA-N -1 0 385.463 5.255 40 0 GKABRM CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1 ZINC000408996429 528604051 /nfs/dbraw/zinc/60/40/51/528604051.db2.gz DRQGRXZIPIPURA-JRFVFWCSSA-N -1 0 385.463 5.255 40 0 GKABRM Cc1cccc(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])c1 ZINC000585265414 570232432 /nfs/dbraw/zinc/23/24/32/570232432.db2.gz OLQGDYRMBFXGEJ-UHFFFAOYSA-N -1 0 395.886 6.111 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000020140090 570242626 /nfs/dbraw/zinc/24/26/26/570242626.db2.gz XKZUPBXIMPPYPC-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM Cc1c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cccc1C(=O)[O-] ZINC000020140256 570242629 /nfs/dbraw/zinc/24/26/29/570242629.db2.gz AYTZYXNKTJOPOB-UHFFFAOYSA-N -1 0 389.329 5.224 40 0 GKABRM C[C@]1(Cc2cccc(F)c2)CCc2cc(-c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000585265418 570320463 /nfs/dbraw/zinc/32/04/63/570320463.db2.gz BRMGUKMDEWEPHP-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2cccc(C)c2)n1 ZINC000585265532 570320486 /nfs/dbraw/zinc/32/04/86/570320486.db2.gz NNBVJNCQNOBYGT-UHFFFAOYSA-N -1 0 397.858 5.386 40 0 GKABRM C[C@@]1(Cc2cccc(F)c2)CCc2cc(-c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000585265413 570320543 /nfs/dbraw/zinc/32/05/43/570320543.db2.gz BRMGUKMDEWEPHP-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM C[C@]1(Cc2ccccc2Cl)CCc2ccc(-c3ccccc3C(=O)[O-])cc2O1 ZINC000585265450 570320568 /nfs/dbraw/zinc/32/05/68/570320568.db2.gz DMIKCRQAUVASIM-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM C[C@@]1(Cc2cccc(F)c2)CCc2cccc(-c3cccc(C(=O)[O-])c3)c2O1 ZINC000585265522 570320579 /nfs/dbraw/zinc/32/05/79/570320579.db2.gz GPHJEPDTSURSFD-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM CC(C)Oc1ccccc1-c1ccc(C(=O)[O-])c(Cc2ccc(F)cc2Cl)n1 ZINC000585265354 570320618 /nfs/dbraw/zinc/32/06/18/570320618.db2.gz KGWZPNRVOLKQIJ-UHFFFAOYSA-N -1 0 399.849 5.617 40 0 GKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(COc2ccc(C)cc2)n1 ZINC000585265440 570320624 /nfs/dbraw/zinc/32/06/24/570320624.db2.gz PZEGYKDHENPZEW-UHFFFAOYSA-N -1 0 391.467 5.431 40 0 GKABRM CC(C)Cc1nc(Cc2cccc(F)c2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265239 570320789 /nfs/dbraw/zinc/32/07/89/570320789.db2.gz KDYIMQKHVIHJKG-UHFFFAOYSA-N -1 0 397.877 6.029 40 0 GKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccc(C)cc2C)n1 ZINC000585264972 570320871 /nfs/dbraw/zinc/32/08/71/570320871.db2.gz CRMJICLJCZVASR-UHFFFAOYSA-N -1 0 391.467 5.431 40 0 GKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000585265594 570320877 /nfs/dbraw/zinc/32/08/77/570320877.db2.gz OTQGALFNPWVFNX-UHFFFAOYSA-N -1 0 381.859 5.284 40 0 GKABRM CCCc1nc(Cc2cccc(F)c2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585264999 570320902 /nfs/dbraw/zinc/32/09/02/570320902.db2.gz BIWWTXZWXULYQO-UHFFFAOYSA-N -1 0 383.850 5.783 40 0 GKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(Cc3cccc(F)c3)n2)c1 ZINC000585265331 570320911 /nfs/dbraw/zinc/32/09/11/570320911.db2.gz LSZVITPDWJMRHS-UHFFFAOYSA-N -1 0 379.431 5.272 40 0 GKABRM CCCc1nc(-c2ccc(Cl)cc2OCc2ccccc2)ccc1C(=O)[O-] ZINC000585265074 570320932 /nfs/dbraw/zinc/32/09/32/570320932.db2.gz GGCCGKIDPNZSNJ-UHFFFAOYSA-N -1 0 381.859 5.632 40 0 GKABRM CCCc1nc(COc2ccccc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265045 570320972 /nfs/dbraw/zinc/32/09/72/570320972.db2.gz DGJMXOBVWOEKHF-UHFFFAOYSA-N -1 0 381.859 5.632 40 0 GKABRM CCCOc1cc(OC)ccc1-c1ccc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000585265003 570320991 /nfs/dbraw/zinc/32/09/91/570320991.db2.gz DOTKXMZMLDKSKU-UHFFFAOYSA-N -1 0 391.467 5.029 40 0 GKABRM CCc1ccc(C[C@]2(C)CCc3ccc(-c4ccc(C(=O)[O-])cc4)cc3O2)cc1 ZINC000585265744 570321141 /nfs/dbraw/zinc/32/11/41/570321141.db2.gz OSKADPGHLRYQRB-SANMLTNESA-N -1 0 386.491 5.941 40 0 GKABRM C[C@@]1(Cc2ccccc2F)CCc2ccc(-c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000585265948 570321189 /nfs/dbraw/zinc/32/11/89/570321189.db2.gz ZFBHMPNOMJYUMA-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM C[C@@]1(Cc2cccc(F)c2)CCc2cccc(-c3ccc(C(=O)[O-])cc3)c2O1 ZINC000585265847 570321333 /nfs/dbraw/zinc/32/13/33/570321333.db2.gz RUNALUNWXSJESQ-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003796232 570351149 /nfs/dbraw/zinc/35/11/49/570351149.db2.gz VAPSMQAHNAZRKC-PQWRYPMOSA-N -1 0 399.575 5.101 40 0 in-man GKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004293134 570366212 /nfs/dbraw/zinc/36/62/12/570366212.db2.gz JVMCMMXFADJQKU-XEEZSAHBSA-N -1 0 376.581 5.507 40 0 GKABRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118915642 570366976 /nfs/dbraw/zinc/36/69/76/570366976.db2.gz WRMRAQBPFAXGNJ-HVQCDPFQSA-N -1 0 388.548 5.218 40 0 in-vitro GKABRM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118915644 570367031 /nfs/dbraw/zinc/36/70/31/570367031.db2.gz WRMRAQBPFAXGNJ-XFPJVAEKSA-N -1 0 388.548 5.218 40 0 in-vitro GKABRM CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118925794 570368463 /nfs/dbraw/zinc/36/84/63/570368463.db2.gz WQJAOHOTDRGEIW-INJREPEWSA-N -1 0 390.564 5.298 40 0 GKABRM CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c([O-])c(Cl)c3)N21 ZINC000222667344 570419712 /nfs/dbraw/zinc/41/97/12/570419712.db2.gz HYGUTWOZFHLNII-KNXALSJPSA-N -1 0 394.327 5.073 40 0 GKABRM S=C([S-])NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000005410716 570438427 /nfs/dbraw/zinc/43/84/27/570438427.db2.gz MZERSMVXGJWKDA-UHFFFAOYSA-N -1 0 384.568 5.170 40 0 GKABRM O=C([O-])c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 ZINC000226339830 570459818 /nfs/dbraw/zinc/45/98/18/570459818.db2.gz AIAPIEFCRFPATM-UHFFFAOYSA-N -1 0 394.023 5.172 40 0 GKABRM Cc1ccc(NC(=O)c2ccc(O[P@](=O)([O-])Nc3ccc(C)cc3)cc2)cc1 ZINC000006002622 570463866 /nfs/dbraw/zinc/46/38/66/570463866.db2.gz VENOWAJHYYJDIH-UHFFFAOYSA-N -1 0 396.383 5.147 40 0 GKABRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000223657464 570477042 /nfs/dbraw/zinc/47/70/42/570477042.db2.gz ZKQIAGXUHXWKOL-UHFFFAOYSA-N -1 0 395.889 5.003 40 0 GKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000006883075 570498251 /nfs/dbraw/zinc/49/82/51/570498251.db2.gz JUPXXGHTYJITJI-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM O=C([O-])[C@H](Cc1cccc(Cl)c1Cl)Oc1ccc(-c2ccccc2)cc1 ZINC000225082929 570547439 /nfs/dbraw/zinc/54/74/39/570547439.db2.gz SMZHSHQSFXRVHI-IBGZPJMESA-N -1 0 387.262 5.735 40 0 GKABRM CC(C)c1ccccc1O[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000225109960 570549676 /nfs/dbraw/zinc/54/96/76/570549676.db2.gz LXTGEWPJCTWPKN-QHCPKHFHSA-N -1 0 376.452 5.677 40 0 GKABRM O=C([O-])[C@@H](Cc1ccccc1Sc1ccccc1)Oc1cccc(Cl)c1 ZINC000225130709 570551120 /nfs/dbraw/zinc/55/11/20/570551120.db2.gz DLEFPKPSQLQEKP-LJQANCHMSA-N -1 0 384.884 5.566 40 0 GKABRM Cc1ccc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225133236 570551427 /nfs/dbraw/zinc/55/14/27/570551427.db2.gz RNGZSQJHDBYDMU-OAQYLSRUSA-N -1 0 382.843 5.515 40 0 GKABRM CCCCCCOC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@H]1c1ccccc1 ZINC000004832468 570633433 /nfs/dbraw/zinc/63/34/33/570633433.db2.gz JBSLSZWLFYDHGN-JTVPBKEVSA-N -1 0 380.484 5.008 40 0 GKABRM C[C@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 ZINC000064219213 570664813 /nfs/dbraw/zinc/66/48/13/570664813.db2.gz JOWKLGMNVUYQGV-MRXNPFEDSA-N -1 0 393.483 5.043 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000408992735 570666165 /nfs/dbraw/zinc/66/61/65/570666165.db2.gz BJQMWFNJLVJTSU-BAGYTPMASA-N -1 0 375.855 5.509 40 0 GKABRM CC(C)c1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])cc1 ZINC000001179152 570713255 /nfs/dbraw/zinc/71/32/55/570713255.db2.gz PJAHVTCCNSDNBL-UHFFFAOYSA-N -1 0 386.904 5.958 40 0 GKABRM CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCC[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000005230392 570731862 /nfs/dbraw/zinc/73/18/62/570731862.db2.gz WWVQLMQJZZQLPX-IGAFNQRYSA-N -1 0 390.652 7.563 40 0 GKABRM O=C([O-])[C@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccccc1 ZINC000005666172 570734842 /nfs/dbraw/zinc/73/48/42/570734842.db2.gz UTNTVHPWAVAQCT-XQUALCHDSA-N -1 0 397.474 5.080 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013170168 570749719 /nfs/dbraw/zinc/74/97/19/570749719.db2.gz ULGNYOCLPOIMOH-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM C[C@@H](CCC(=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 ZINC000064219050 570753660 /nfs/dbraw/zinc/75/36/60/570753660.db2.gz SMEROWZSTRWXGI-PMUPNNHLSA-N -1 0 376.581 5.507 40 0 endogenous,in-man GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013391353 570753777 /nfs/dbraw/zinc/75/37/77/570753777.db2.gz UQHLNNIJZZRZHV-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM O=S(=O)([N-]c1nc2ccccc2s1)c1cc(Cl)c(Cl)cc1Cl ZINC000013947970 570902766 /nfs/dbraw/zinc/90/27/66/570902766.db2.gz FPIPGIKCYMWJRZ-UHFFFAOYSA-N -1 0 393.704 5.057 40 0 GKABRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000014255901 570904581 /nfs/dbraw/zinc/90/45/81/570904581.db2.gz XFOREIZKMSSZCK-UHFFFAOYSA-N -1 0 385.099 5.409 40 0 GKABRM Cc1ccc(COc2ccc(CNc3cccc(C(=O)[O-])c3)cc2Cl)cc1 ZINC000408613869 231080995 /nfs/dbraw/zinc/08/09/95/231080995.db2.gz WRKPMKUCNXSUBI-UHFFFAOYSA-N -1 0 381.859 5.538 40 0 GKABRM O=C([O-])c1cccc(NCc2ccccc2OCc2cccc3ccccc32)c1 ZINC000408614194 231081342 /nfs/dbraw/zinc/08/13/42/231081342.db2.gz ZPECLQNFZYUXOF-UHFFFAOYSA-N -1 0 383.447 5.729 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 ZINC000409101126 231160823 /nfs/dbraw/zinc/16/08/23/231160823.db2.gz VQCRHCMYWBGODO-ODLFYWEKSA-N -1 0 377.421 5.039 40 0 GKABRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000013094943 210049015 /nfs/dbraw/zinc/04/90/15/210049015.db2.gz XBMGAHZYWCEFNX-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OC)cc1-c1ccc(Cl)cc1 ZINC000257295016 222771690 /nfs/dbraw/zinc/77/16/90/222771690.db2.gz QWPNXULOHXAFJH-UHFFFAOYSA-N -1 0 398.890 5.306 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@H]1c1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000257305320 222772381 /nfs/dbraw/zinc/77/23/81/222772381.db2.gz SPKIASNNEPWQPZ-NRFANRHFSA-N -1 0 395.499 5.904 40 0 GKABRM O=C([O-])c1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl ZINC000006251976 209639756 /nfs/dbraw/zinc/63/97/56/209639756.db2.gz GBMXXRXSMCQHFD-NRFANRHFSA-N -1 0 396.895 6.145 40 0 GKABRM O=C([O-])c1cc(Cl)cc2c1[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccc(F)c(F)c1)N2 ZINC000004722460 209516146 /nfs/dbraw/zinc/51/61/46/209516146.db2.gz NOBCPIABFOJRDO-DKGQBHEGSA-N -1 0 389.829 5.613 40 0 GKABRM Cc1ccc(NC(=O)c2ccc(OC(=S)[N-]c3ccccc3F)cc2)cc1C ZINC000001438862 209327597 /nfs/dbraw/zinc/32/75/97/209327597.db2.gz BGHODJPCRODKSY-UHFFFAOYSA-N -1 0 394.471 5.471 40 0 GKABRM CC(C)c1ccc([C@@H](CC(=O)c2ccccc2)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000001859429 212259272 /nfs/dbraw/zinc/25/92/72/212259272.db2.gz MDTBRRQJXPODOI-NOZRDPDXSA-N -1 0 386.491 6.035 40 0 GKABRM COc1cc(C(=O)[O-])cc(CSC)c1OCc1ccc(Cl)cc1Cl ZINC000226288422 209188554 /nfs/dbraw/zinc/18/85/54/209188554.db2.gz BFMHQNIBODSSEM-UHFFFAOYSA-N -1 0 387.284 5.142 40 0 GKABRM Clc1ccc2nc([N-]c3nc4cc(-c5ccccc5)ccc4o3)sc2c1 ZINC000057352930 212132743 /nfs/dbraw/zinc/13/27/43/212132743.db2.gz CPGFITHURAFACL-UHFFFAOYSA-N -1 0 377.856 6.502 40 0 GKABRM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000007604031 212074863 /nfs/dbraw/zinc/07/48/63/212074863.db2.gz LOUMZHQKBIVSOK-UHFFFAOYSA-N -1 0 375.635 5.323 40 0 GKABRM CCSc1c(-c2ccccc2)nc2c(Cl)ccc(Cl)c2c1C(=O)[O-] ZINC000005714501 204149177 /nfs/dbraw/zinc/14/91/77/204149177.db2.gz KONZBCNNZADGFU-UHFFFAOYSA-N -1 0 378.280 6.019 40 0 GKABRM Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1SCC(=O)[O-] ZINC000006043901 204163211 /nfs/dbraw/zinc/16/32/11/204163211.db2.gz AVMJLQVYMOHMJB-UHFFFAOYSA-N -1 0 388.286 5.149 40 0 GKABRM O=C([O-])CCCC(=O)Nc1ccc(Oc2ccccc2-c2ccccc2)cc1 ZINC000006341334 204174981 /nfs/dbraw/zinc/17/49/81/204174981.db2.gz RRCAIVLMVAAFJJ-UHFFFAOYSA-N -1 0 375.424 5.339 40 0 GKABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 ZINC000257275791 212016457 /nfs/dbraw/zinc/01/64/57/212016457.db2.gz NQWSVSOVCVPXTA-UHFFFAOYSA-N -1 0 396.462 5.499 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000257270487 212014774 /nfs/dbraw/zinc/01/47/74/212014774.db2.gz MULGOUJPBVYQMC-NRFANRHFSA-N -1 0 395.499 5.904 40 0 GKABRM CCC[C@H]1O[C@H]2c3cc(-c4ccccc4)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)[O-] ZINC000257220537 212005367 /nfs/dbraw/zinc/00/53/67/212005367.db2.gz DLDOXNALLCWABA-VMBXEPDQSA-N -1 0 380.484 5.472 40 0 GKABRM C[C@@H]1O[C@@H]2c3cc(CCC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(F)c1 ZINC000257222265 212004788 /nfs/dbraw/zinc/00/47/88/212004788.db2.gz DSPIJJHXBIUWGK-VZWKMPHESA-N -1 0 398.474 5.264 40 0 GKABRM CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](CC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253617476 211993871 /nfs/dbraw/zinc/99/38/71/211993871.db2.gz ONYBRBPJVMVOCT-CVUFKTFRSA-N -1 0 376.537 5.052 40 0 GKABRM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225088396 211882696 /nfs/dbraw/zinc/88/26/96/211882696.db2.gz VZODSSDYHMDNHH-HXUWFJFHSA-N -1 0 387.262 5.735 40 0 GKABRM O=S(=O)([N-]c1ccc2c(c1)oc1ccccc12)c1cc(Cl)ccc1Cl ZINC000223980236 206010987 /nfs/dbraw/zinc/01/09/87/206010987.db2.gz OCKQBBRPPPYDMR-UHFFFAOYSA-N -1 0 392.263 5.694 40 0 GKABRM O=C([O-])[C@H](Cc1cccc(Br)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225063554 206034988 /nfs/dbraw/zinc/03/49/88/206034988.db2.gz AXQLQRXXEUTKCH-FQEVSTJZSA-N -1 0 397.268 5.191 40 0 GKABRM Cc1cc(C)c(C)c(O[C@H](Cc2ccccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225139544 206038536 /nfs/dbraw/zinc/03/85/36/206038536.db2.gz WSOLVKWMIKVTSO-HSZRJFAPSA-N -1 0 376.452 5.479 40 0 GKABRM Cc1ccc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1C ZINC000225134453 206038945 /nfs/dbraw/zinc/03/89/45/206038945.db2.gz GNGUKSOXSHOXSL-JOCHJYFZSA-N -1 0 396.870 5.824 40 0 GKABRM Cc1cc(C)c(C)c(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])c1 ZINC000225131649 206039047 /nfs/dbraw/zinc/03/90/47/206039047.db2.gz WVYJSWGLAQOCNR-QFIPXVFZSA-N -1 0 392.520 5.838 40 0 GKABRM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)OCc1ccccc1 ZINC000225135448 206039416 /nfs/dbraw/zinc/03/94/16/206039416.db2.gz SXYGLDMACLKDLI-OAQYLSRUSA-N -1 0 382.843 5.345 40 0 GKABRM O=C([O-])[C@@H](Cc1ccccc1Oc1ccccc1)Sc1ccc(Cl)cc1 ZINC000225140042 206039488 /nfs/dbraw/zinc/03/94/88/206039488.db2.gz IPROHKUUOXBDRK-HXUWFJFHSA-N -1 0 384.884 5.920 40 0 GKABRM Cc1cc(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)[O-])ccc1Cl ZINC000225109808 206036822 /nfs/dbraw/zinc/03/68/22/206036822.db2.gz XNEARUSQHAWNPD-OAQYLSRUSA-N -1 0 382.843 5.515 40 0 GKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2cccc(Cl)c2)n1 ZINC000257291812 206174822 /nfs/dbraw/zinc/17/48/22/206174822.db2.gz QIRZMOHJJBKGQD-UHFFFAOYSA-N -1 0 383.831 5.078 40 0 GKABRM C[C@H]1O[C@@H]2c3ccc(C(=O)[O-])cc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1Cl ZINC000257302760 206177264 /nfs/dbraw/zinc/17/72/64/206177264.db2.gz SEGKKEDWDKFFBE-MXDFIXEMSA-N -1 0 386.875 5.459 40 0 GKABRM C[C@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1Cl ZINC000257343543 206181632 /nfs/dbraw/zinc/18/16/32/206181632.db2.gz ZTKWZTZYQSELTB-DFTPQRALSA-N -1 0 386.875 5.459 40 0 GKABRM CC(C)(C)c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(C(C)(C)C)c1O ZINC000299754548 206184689 /nfs/dbraw/zinc/18/46/89/206184689.db2.gz LLDRUIYRPIIWSI-UHFFFAOYSA-N -1 0 392.499 5.493 40 0 GKABRM Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)Nc5cccc(C(=O)[O-])c5)(C4)C2)C3)cc1 ZINC000001467812 206382646 /nfs/dbraw/zinc/38/26/46/206382646.db2.gz YMTISLCQXGXNOZ-FLCJAFJVSA-N -1 0 389.495 5.170 40 0 GKABRM Cc1cc2oc(-c3ccccc3C(=O)[O-])c(-c3cc(C)c(C)cc3O)c2cc1C ZINC000001574132 206385719 /nfs/dbraw/zinc/38/57/19/206385719.db2.gz RXKZVBKULOHROQ-UHFFFAOYSA-N -1 0 386.447 6.404 40 0 GKABRM O=C([O-])Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000005896170 206632932 /nfs/dbraw/zinc/63/29/32/206632932.db2.gz XEJRXGOSUHUQPP-UHFFFAOYSA-N -1 0 397.258 5.627 40 0 GKABRM C[C@@H](CCC(=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 ZINC000016248854 207074883 /nfs/dbraw/zinc/07/48/83/207074883.db2.gz SMEROWZSTRWXGI-LFYYPNPWSA-N -1 0 376.581 5.507 40 0 endogenous,in-man GKABRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000020140068 207178873 /nfs/dbraw/zinc/17/88/73/207178873.db2.gz HSXMRZXBJNOMAX-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000020141885 207179907 /nfs/dbraw/zinc/17/99/07/207179907.db2.gz GIRMNKSSCYPLMI-SNVBAGLBSA-N -1 0 382.243 5.121 40 0 GKABRM Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cccc1C(=O)[O-] ZINC000020150974 207180012 /nfs/dbraw/zinc/18/00/12/207180012.db2.gz YAJMQLYQZIOKDS-ZRDIBKRKSA-N -1 0 381.815 5.259 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 ZINC000020150976 207180103 /nfs/dbraw/zinc/18/01/03/207180103.db2.gz WKCJMCAQRXJJBG-DHZHZOJOSA-N -1 0 381.815 5.259 40 0 GKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1Cl ZINC000020139863 207179529 /nfs/dbraw/zinc/17/95/29/207179529.db2.gz CUDNIQOJHHEAQB-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020139987 207179533 /nfs/dbraw/zinc/17/95/33/207179533.db2.gz BPRWTEZYJXAYHX-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM CCCc1nc(CCc2ccc(C)cc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257261349 209061189 /nfs/dbraw/zinc/06/11/89/209061189.db2.gz LGYRJRJOVLGCDR-UHFFFAOYSA-N -1 0 377.459 5.632 40 0 GKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccc(Cl)cc2)n1 ZINC000257290012 209069610 /nfs/dbraw/zinc/06/96/10/209069610.db2.gz QBCUPDNVRCGCMK-UHFFFAOYSA-N -1 0 397.858 5.468 40 0 GKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(CCc2ccc(C)cc2)n1 ZINC000257340152 209078576 /nfs/dbraw/zinc/07/85/76/209078576.db2.gz ZETVZMATVAATQC-UHFFFAOYSA-N -1 0 375.468 5.329 40 0 GKABRM C[C@@H]1O[C@@H]2c3ccc(C(=O)[O-])cc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 ZINC000257335910 209078621 /nfs/dbraw/zinc/07/86/21/209078621.db2.gz YMKDANBUEMXFHV-ZBZXEDRXSA-N -1 0 386.875 5.459 40 0 GKABRM CCCCC[C@@H](O)/C=C/[C@H]1C[C@H]2C[C@@H]([C@H]1C/C=C\CCCC(=O)[O-])C2(C)C ZINC000064859000 222085146 /nfs/dbraw/zinc/08/51/46/222085146.db2.gz OHJIHGVLRDHSDV-GRWTZOASSA-N -1 0 376.581 5.983 40 0 in-vitro GKABRM O=C([O-])Cc1sc(Nc2ccc(Br)cc2)nc1-c1cccs1 ZINC000408879850 534508983 /nfs/dbraw/zinc/50/89/83/534508983.db2.gz HLNDVOFGUISUBS-UHFFFAOYSA-N -1 0 395.303 5.005 40 0 GKABRM O=C([O-])Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(F)cc1 ZINC000408884815 534509638 /nfs/dbraw/zinc/50/96/38/534509638.db2.gz YIWSPRRZVVVFNY-UHFFFAOYSA-N -1 0 397.258 5.049 40 0 GKABRM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2F)c1 ZINC000408605378 534549153 /nfs/dbraw/zinc/54/91/53/534549153.db2.gz GTTNHAQHVFSDEV-UHFFFAOYSA-N -1 0 385.822 5.368 40 0 GKABRM O=C([O-])c1cccc(NCc2c(OCc3ccccc3)ccc3ccccc32)c1 ZINC000408613543 534550076 /nfs/dbraw/zinc/55/00/76/534550076.db2.gz VJCLQZFPJWDSCR-UHFFFAOYSA-N -1 0 383.447 5.729 40 0 GKABRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000005230444 527705590 /nfs/dbraw/zinc/70/55/90/527705590.db2.gz WWVQLMQJZZQLPX-KQHFHCSTSA-N -1 0 390.652 7.563 40 0 GKABRM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1 ZINC000408995044 528137252 /nfs/dbraw/zinc/13/72/52/528137252.db2.gz IGFWKTPZFNFQPP-GPXOXTDOSA-N -1 0 383.491 5.979 40 0 GKABRM CC(C)=CCC/C(C)=C\Cc1c(O)cc(CCc2ccccc2)c(C(=O)[O-])c1O ZINC000028541012 560091659 /nfs/dbraw/zinc/09/16/59/560091659.db2.gz UAMAHWUELDAAIA-PDGQHHTCSA-N -1 0 394.511 5.816 40 0 biogenic,in-vitro GKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CCC2CCCCC2)n1 ZINC000585265351 570232265 /nfs/dbraw/zinc/23/22/65/570232265.db2.gz KGUOZWWPWKCKPX-UHFFFAOYSA-N -1 0 387.907 6.012 40 0 GKABRM C[C@]1(Cc2cccc(F)c2)CCc2cc(-c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000585265802 570232767 /nfs/dbraw/zinc/23/27/67/570232767.db2.gz QKKOTXFAMSPPJV-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000020143961 570243404 /nfs/dbraw/zinc/24/34/04/570243404.db2.gz YDURWUIASDBVKY-UHFFFAOYSA-N -1 0 396.270 5.007 40 0 GKABRM O=C([O-])c1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1Cl ZINC000020144904 570243585 /nfs/dbraw/zinc/24/35/85/570243585.db2.gz VPWJVUMBXUJLHB-UHFFFAOYSA-N -1 0 387.863 5.103 40 0 GKABRM O=C(C=C([O-])c1ccc2ccccc2c1)CCC(=O)Nc1ccc(Cl)cc1 ZINC000102915829 570293160 /nfs/dbraw/zinc/29/31/60/570293160.db2.gz VDZPHURUSRSFFY-UHFFFAOYSA-N -1 0 379.843 5.054 40 0 GKABRM CCc1ccc(C[C@]2(C)CCc3cc(-c4ccc(C(=O)[O-])cc4)ccc3O2)cc1 ZINC000585265499 570320501 /nfs/dbraw/zinc/32/05/01/570320501.db2.gz GLKWBSQDLXUJJF-SANMLTNESA-N -1 0 386.491 5.941 40 0 GKABRM CC(C)Cc1nc(CCc2ccccc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265494 570320506 /nfs/dbraw/zinc/32/05/06/570320506.db2.gz RKCAQRJGDJQNRM-UHFFFAOYSA-N -1 0 393.914 6.084 40 0 GKABRM C[C@@]1(Cc2cccc(F)c2)CCc2ccc(-c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000585265426 570320601 /nfs/dbraw/zinc/32/06/01/570320601.db2.gz DFNBHCQSFRKCRU-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM CC(C)Cc1nc(C(C)C)c(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000585265343 570320608 /nfs/dbraw/zinc/32/06/08/570320608.db2.gz MJUJURONISUWOO-UHFFFAOYSA-N -1 0 376.294 5.531 40 0 GKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(CCC2CCCCC2)n1 ZINC000585265382 570320613 /nfs/dbraw/zinc/32/06/13/570320613.db2.gz NEGGUFFORREKMH-UHFFFAOYSA-N -1 0 381.516 6.057 40 0 GKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(CCC2CCCCC2)n1 ZINC000585265543 570320658 /nfs/dbraw/zinc/32/06/58/570320658.db2.gz SKGNIUYCCDMZLH-UHFFFAOYSA-N -1 0 397.515 5.757 40 0 GKABRM CC(C)Cc1nc(CC(C)C)c(-c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000585264983 570320732 /nfs/dbraw/zinc/32/07/32/570320732.db2.gz AHPLXMXZHGYLDS-UHFFFAOYSA-N -1 0 390.321 5.606 40 0 GKABRM CCCc1nc(CCc2ccc(C)cc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265698 570320739 /nfs/dbraw/zinc/32/07/39/570320739.db2.gz YIWFJHFRNZLHTG-UHFFFAOYSA-N -1 0 393.914 6.146 40 0 GKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(Cc3ccc(Cl)cc3)n2)c1 ZINC000585265718 570320749 /nfs/dbraw/zinc/32/07/49/570320749.db2.gz ZKBCIIQHHGXUET-UHFFFAOYSA-N -1 0 395.886 5.787 40 0 GKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2cc(C)ccc2C)n1 ZINC000585264902 570320770 /nfs/dbraw/zinc/32/07/70/570320770.db2.gz BBWOPYKAMAPYCX-UHFFFAOYSA-N -1 0 391.467 5.431 40 0 GKABRM CC(C)Cc1nc(-c2ccc(Cl)cc2OCc2ccccc2)ccc1C(=O)[O-] ZINC000585265309 570320882 /nfs/dbraw/zinc/32/08/82/570320882.db2.gz JBEXYZSRMAZCCG-UHFFFAOYSA-N -1 0 395.886 5.878 40 0 GKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2cccc(C)c2C)n1 ZINC000585265327 570320887 /nfs/dbraw/zinc/32/08/87/570320887.db2.gz JKLKIUZKWWBNSD-UHFFFAOYSA-N -1 0 391.467 5.431 40 0 GKABRM O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCC1CCCC1 ZINC000585266907 570320938 /nfs/dbraw/zinc/32/09/38/570320938.db2.gz VLUPYQTUMFTVMO-FQEVSTJZSA-N -1 0 399.922 5.293 40 0 GKABRM CCc1ccc(C[C@]2(C)CCc3ccc(-c4ccccc4C(=O)[O-])cc3O2)cc1 ZINC000585265598 570320951 /nfs/dbraw/zinc/32/09/51/570320951.db2.gz LJYOLOBWMZBAOS-SANMLTNESA-N -1 0 386.491 5.941 40 0 GKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(Cc2cccc(F)c2)n1 ZINC000585265025 570320959 /nfs/dbraw/zinc/32/09/59/570320959.db2.gz CMSSEACEJAWPNX-UHFFFAOYSA-N -1 0 379.431 5.274 40 0 GKABRM CCc1ccc(C[C@@]2(C)CCc3ccc(-c4ccccc4C(=O)[O-])cc3O2)cc1 ZINC000585265597 570320975 /nfs/dbraw/zinc/32/09/75/570320975.db2.gz LJYOLOBWMZBAOS-AREMUKBSSA-N -1 0 386.491 5.941 40 0 GKABRM CCCc1nc(CCC2CCCCC2)c(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000585265203 570320980 /nfs/dbraw/zinc/32/09/80/570320980.db2.gz IRUUVJDHJKUSDW-UHFFFAOYSA-N -1 0 385.935 6.566 40 0 GKABRM COc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(CCC3CCCC3)n2)c1 ZINC000585265019 570320994 /nfs/dbraw/zinc/32/09/94/570320994.db2.gz FCSUSBGBMSODFO-UHFFFAOYSA-N -1 0 383.488 5.365 40 0 GKABRM C[C@@]1(Cc2cccc(F)c2)CCc2cccc(-c3ccccc3C(=O)[O-])c2O1 ZINC000585265880 570321179 /nfs/dbraw/zinc/32/11/79/570321179.db2.gz UUZUWJZUSKQLEY-DEOSSOPVSA-N -1 0 376.427 5.517 40 0 GKABRM C[C@@]1(Cc2cccc(Cl)c2)CCc2cc(-c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000585265900 570321226 /nfs/dbraw/zinc/32/12/26/570321226.db2.gz VWSMTYYNHBVSBC-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2ccccc2)n1 ZINC000585266028 570321243 /nfs/dbraw/zinc/32/12/43/570321243.db2.gz ZPESVKCFSYUYNN-UHFFFAOYSA-N -1 0 397.858 5.466 40 0 GKABRM C[C@@]1(Cc2cccc(Cl)c2)CCc2cccc(-c3cccc(C(=O)[O-])c3)c2O1 ZINC000585265945 570321255 /nfs/dbraw/zinc/32/12/55/570321255.db2.gz ZDKUMAWJUFGCDI-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM CCc1ccc(C[C@]2(C)CCc3cc(-c4cccc(C(=O)[O-])c4)ccc3O2)cc1 ZINC000585265828 570321327 /nfs/dbraw/zinc/32/13/27/570321327.db2.gz RFCKBBJMYVWXIA-SANMLTNESA-N -1 0 386.491 5.941 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]21 ZINC000004151482 570360271 /nfs/dbraw/zinc/36/02/71/570360271.db2.gz DGYNGOFUPMFDGT-XFNBSFSFSA-N -1 0 398.300 5.444 40 0 GKABRM CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000408626357 570378336 /nfs/dbraw/zinc/37/83/36/570378336.db2.gz GQQADISUGAIBRC-UHFFFAOYSA-N -1 0 397.327 5.123 40 0 GKABRM O=c1oc2c(s1)c(Sc1ccc3ccccc3c1)c([O-])c1ccccc21 ZINC000004719050 570397519 /nfs/dbraw/zinc/39/75/19/570397519.db2.gz RIUDBSZJXQZQGO-UHFFFAOYSA-N -1 0 376.458 6.018 40 0 GKABRM S=C([N-]c1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000005338525 570434664 /nfs/dbraw/zinc/43/46/64/570434664.db2.gz XFZVYNYRIJVJHZ-UHFFFAOYSA-N -1 0 388.521 5.423 40 0 GKABRM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000223436105 570466098 /nfs/dbraw/zinc/46/60/98/570466098.db2.gz GPYMLOSBJAVKPS-UHFFFAOYSA-N -1 0 382.721 5.170 40 0 GKABRM COc1cc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc2c(N)c1 ZINC000057352567 570467793 /nfs/dbraw/zinc/46/77/93/570467793.db2.gz BFXRJKULOWVKPD-UHFFFAOYSA-N -1 0 388.452 5.439 40 0 GKABRM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000006320113 570476827 /nfs/dbraw/zinc/47/68/27/570476827.db2.gz IZJLTXUDGMLXAG-UHFFFAOYSA-N -1 0 390.266 5.477 40 0 GKABRM COc1ccc(CSC(=S)[N-]c2ccc(Br)c(C)c2)cc1 ZINC000006484551 570481568 /nfs/dbraw/zinc/48/15/68/570481568.db2.gz FSAPZGSXVPMJGB-UHFFFAOYSA-N -1 0 382.348 5.396 40 0 GKABRM CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OC(C)C ZINC000211510492 570491772 /nfs/dbraw/zinc/49/17/72/570491772.db2.gz GHQKAKFEVCMKKI-UNOMPAQXSA-N -1 0 399.468 5.232 40 0 GKABRM O=C([O-])c1cccc2cccc(C(=O)NC3CCCCCCCCCCC3)c21 ZINC000006829270 570496151 /nfs/dbraw/zinc/49/61/51/570496151.db2.gz CITGHYKGZDBURZ-UHFFFAOYSA-N -1 0 381.516 5.941 40 0 GKABRM CCCCC[C@@H](O)/C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)[O-])C2(C)C ZINC000146482187 570534688 /nfs/dbraw/zinc/53/46/88/570534688.db2.gz OHJIHGVLRDHSDV-CZTPATMFSA-N -1 0 376.581 5.983 40 0 GKABRM O=C([O-])[C@H](Cc1ccc(Br)cc1)Oc1ccc(-c2ccccc2)cc1 ZINC000225065996 570546118 /nfs/dbraw/zinc/54/61/18/570546118.db2.gz XWYIZTPTEAFBLJ-FQEVSTJZSA-N -1 0 397.268 5.191 40 0 GKABRM O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225088440 570547896 /nfs/dbraw/zinc/54/78/96/570547896.db2.gz VZODSSDYHMDNHH-FQEVSTJZSA-N -1 0 387.262 5.735 40 0 GKABRM CC(C)(C)c1ccc(O[C@@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)[O-])cc1 ZINC000225109585 570549235 /nfs/dbraw/zinc/54/92/35/570549235.db2.gz FTQKIYHWZFXYME-QHCPKHFHSA-N -1 0 390.479 5.851 40 0 GKABRM COc1ccc(Cl)cc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000225120627 570550114 /nfs/dbraw/zinc/55/01/14/570550114.db2.gz WCQAMMIROXYCQQ-OAQYLSRUSA-N -1 0 382.843 5.090 40 0 GKABRM CC(C)c1ccccc1O[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000225131313 570550945 /nfs/dbraw/zinc/55/09/45/570550945.db2.gz AGOUHVZFAOZRAR-QFIPXVFZSA-N -1 0 392.520 6.036 40 0 GKABRM O=C([O-])[C@@H](Cc1ccccc1Sc1ccccc1)Oc1ccc(Cl)cc1 ZINC000225130795 570550971 /nfs/dbraw/zinc/55/09/71/570550971.db2.gz REFFRAFKPOUICB-LJQANCHMSA-N -1 0 384.884 5.566 40 0 GKABRM Cc1cc(C)cc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])c1 ZINC000225131093 570551057 /nfs/dbraw/zinc/55/10/57/570551057.db2.gz PQTZIRRHDCJNPN-OAQYLSRUSA-N -1 0 378.493 5.529 40 0 GKABRM O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Sc1ccccc1 ZINC000225134694 570551472 /nfs/dbraw/zinc/55/14/72/570551472.db2.gz RVQCJPZDCRHGKJ-FQEVSTJZSA-N -1 0 384.884 5.920 40 0 GKABRM COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(C)C ZINC000225163191 570552814 /nfs/dbraw/zinc/55/28/14/570552814.db2.gz FFYQKIHCKHBVME-UHFFFAOYSA-N -1 0 375.534 5.360 40 0 GKABRM CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCC(=O)[O-] ZINC000035635993 570556915 /nfs/dbraw/zinc/55/69/15/570556915.db2.gz JKUDIEXTAYKJNX-CGRWFSSPSA-N -1 0 389.580 6.113 40 0 GKABRM CCCOc1cc2c(cc1/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC2(C)C ZINC000012404512 570653082 /nfs/dbraw/zinc/65/30/82/570653082.db2.gz HNODNXQAYXJFMQ-ZHUZXUJZSA-N -1 0 396.571 6.815 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000408992738 570666315 /nfs/dbraw/zinc/66/63/15/570666315.db2.gz BJQMWFNJLVJTSU-ILWGZMRPSA-N -1 0 375.855 5.509 40 0 GKABRM Cc1cccc(CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)c1 ZINC000006478653 570743726 /nfs/dbraw/zinc/74/37/26/570743726.db2.gz GNPCYGMXRYAVNB-NVNXTCNLSA-N -1 0 394.279 5.244 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000013170187 570749771 /nfs/dbraw/zinc/74/97/71/570749771.db2.gz SDIUACGAGJKTBK-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM O=C([O-])c1cc(NC(=O)C2(c3ccccc3)CCCC2)c(Cl)cc1Cl ZINC000020143572 570930125 /nfs/dbraw/zinc/93/01/25/570930125.db2.gz AVYCPYBVFYDPDI-UHFFFAOYSA-N -1 0 378.255 5.142 40 0 GKABRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000408700564 231097919 /nfs/dbraw/zinc/09/79/19/231097919.db2.gz HWXOMNOHWJBPCM-UHFFFAOYSA-N -1 0 397.496 5.412 40 0 GKABRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000408700109 231098137 /nfs/dbraw/zinc/09/81/37/231098137.db2.gz AXIFNSUZXAJYOS-UHFFFAOYSA-N -1 0 397.496 5.412 40 0 GKABRM Cc1ccc2nc(-c3ccc(Nc4ccc(N)cc4C(=O)[O-])cc3)sc2c1 ZINC000408712826 231102542 /nfs/dbraw/zinc/10/25/42/231102542.db2.gz VBDUKVPBDOUUGS-UHFFFAOYSA-N -1 0 375.453 5.296 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000408996165 231143956 /nfs/dbraw/zinc/14/39/56/231143956.db2.gz LFVUBUJFKUVJCU-YUXAGFNASA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408998865 231144614 /nfs/dbraw/zinc/14/46/14/231144614.db2.gz QRPFLRQSDVUIDR-HLAWJBBLSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000409117585 231165083 /nfs/dbraw/zinc/16/50/83/231165083.db2.gz OBBGOWAJPUEKFY-UHFFFAOYSA-N -1 0 398.487 5.801 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc3ccccc31)[C@H]1Cc3ccccc3[C@@H]21 ZINC000409337658 231191542 /nfs/dbraw/zinc/19/15/42/231191542.db2.gz XEEQRDBJMOPGNI-CCDWMCETSA-N -1 0 391.470 6.009 40 0 GKABRM O=C([O-])[C@H](Cc1ccccc1Sc1ccccc1)Oc1ccc(Cl)cc1 ZINC000225130831 222670725 /nfs/dbraw/zinc/67/07/25/222670725.db2.gz REFFRAFKPOUICB-IBGZPJMESA-N -1 0 384.884 5.566 40 0 GKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013258570 210055423 /nfs/dbraw/zinc/05/54/23/210055423.db2.gz LTHRAAGXLBLDND-UHFFFAOYSA-N -1 0 389.329 5.224 40 0 GKABRM CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2)n(CC(C)C)n1 ZINC000257243447 222764005 /nfs/dbraw/zinc/76/40/05/222764005.db2.gz IGZPPSLRDOADMG-UHFFFAOYSA-N -1 0 392.499 5.289 40 0 GKABRM O=C([O-])C(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1 ZINC000001676273 209337236 /nfs/dbraw/zinc/33/72/36/209337236.db2.gz SROPBHLMQPVUCS-UHFFFAOYSA-N -1 0 396.442 5.889 40 0 GKABRM CCCCc1ccc2nc([N-]c3nc4cc(C(C)(C)C)ccc4o3)sc2c1 ZINC000057352900 209212846 /nfs/dbraw/zinc/21/28/46/209212846.db2.gz CBZYSMSGSGVGGZ-UHFFFAOYSA-N -1 0 379.529 6.821 40 0 GKABRM CC(C)c1ccc2oc([N-]c3nc4c(ccc(Cl)c4Cl)s3)nc2c1 ZINC000057352958 212133408 /nfs/dbraw/zinc/13/34/08/212133408.db2.gz GKGHZYMUEKIXAA-UHFFFAOYSA-N -1 0 378.284 6.611 40 0 GKABRM COc1cc(N)cc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc21 ZINC000057352687 212132368 /nfs/dbraw/zinc/13/23/68/212132368.db2.gz RDQHGHBJBZWEQE-UHFFFAOYSA-N -1 0 388.452 5.439 40 0 GKABRM Cc1c(C(=O)[O-])c2ccccc2n1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000216892528 212107857 /nfs/dbraw/zinc/10/78/57/212107857.db2.gz AUHVMIWKDGJOOV-LLVKDONJSA-N -1 0 392.238 5.062 40 0 GKABRM CCCCn1nc(-c2cc(C(=O)[O-])ccc2OCC)cc1-c1ccc(F)cc1 ZINC000257320931 212024437 /nfs/dbraw/zinc/02/44/37/212024437.db2.gz VZIVKIYKFYVVGG-UHFFFAOYSA-N -1 0 382.435 5.253 40 0 GKABRM C[C@@H]1O[C@@H]2c3ccc(C(=O)[O-])cc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1Cl ZINC000257302761 212019347 /nfs/dbraw/zinc/01/93/47/212019347.db2.gz SEGKKEDWDKFFBE-NHMRUBIDSA-N -1 0 386.875 5.459 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000004151495 204030435 /nfs/dbraw/zinc/03/04/35/204030435.db2.gz KWRGCTBNJCAWIA-IJOGARHTSA-N -1 0 387.401 5.700 40 0 GKABRM O=C([O-])c1cc(Cl)cc2c1[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccc(F)c(F)c1)N2 ZINC000004722462 204067569 /nfs/dbraw/zinc/06/75/69/204067569.db2.gz NOBCPIABFOJRDO-PESGLWMTSA-N -1 0 389.829 5.613 40 0 GKABRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000013094927 204481167 /nfs/dbraw/zinc/48/11/67/204481167.db2.gz KVTGSMRORHJRQW-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM [O-]c1c(Cl)cc(Nc2cc(Cl)nc(-c3cccc(F)c3)n2)cc1Cl ZINC000329024870 209157167 /nfs/dbraw/zinc/15/71/67/209157167.db2.gz PCRSPZTZTUACTF-UHFFFAOYSA-N -1 0 384.625 5.114 40 0 GKABRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225091151 206036014 /nfs/dbraw/zinc/03/60/14/206036014.db2.gz UQGIRQQCNUXLPG-HXUWFJFHSA-N -1 0 387.262 5.735 40 0 GKABRM Cc1cc(O[C@H](Cc2ccccc2Oc2ccccc2)C(=O)[O-])ccc1Cl ZINC000225139001 206039023 /nfs/dbraw/zinc/03/90/23/206039023.db2.gz ZOLOOXFZLYQZTP-OAQYLSRUSA-N -1 0 382.843 5.515 40 0 GKABRM CC(C)(C)[C@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000253537564 206149235 /nfs/dbraw/zinc/14/92/35/206149235.db2.gz POZRNKOKPSXTQY-AWEZNQCLSA-N -1 0 384.570 5.732 40 0 GKABRM CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(=O)[O-])cc2N)cc1 ZINC000001704218 206389608 /nfs/dbraw/zinc/38/96/08/206389608.db2.gz HJHBWZUDRNCSPF-UHFFFAOYSA-N -1 0 385.504 5.139 40 0 GKABRM O=S(=O)([O-])c1cccc2cc(Nc3ccccc3)cc(Nc3ccccc3)c21 ZINC000001683375 206389617 /nfs/dbraw/zinc/38/96/17/206389617.db2.gz USFSONWQSVCJBO-UHFFFAOYSA-N -1 0 390.464 5.574 40 0 GKABRM CCOP(=O)(OCC)Oc1c(Cl)c(Cl)c([O-])c(Cl)c1Cl ZINC000001732671 206389912 /nfs/dbraw/zinc/38/99/12/206389912.db2.gz MBSLKUXNHUFIKL-UHFFFAOYSA-N -1 0 383.979 5.566 40 0 GKABRM O=C([O-])c1cc(Cl)cc2c1[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccc(F)c(F)c1)N2 ZINC000004722464 206546680 /nfs/dbraw/zinc/54/66/80/206546680.db2.gz NOBCPIABFOJRDO-CDUDIAJNSA-N -1 0 389.829 5.613 40 0 GKABRM CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000098044297 211378248 /nfs/dbraw/zinc/37/82/48/211378248.db2.gz ZECSOKFEQQDUCP-QZXPFFOGSA-N -1 0 375.553 5.721 40 0 GKABRM O=Cc1cc(-c2ccccc2)n(-c2ccc(OCC(=O)[O-])cc2)c1-c1ccccc1 ZINC000096191290 211317508 /nfs/dbraw/zinc/31/75/08/211317508.db2.gz LMULNIIZBBFQNN-UHFFFAOYSA-N -1 0 397.430 5.087 40 0 GKABRM C[C@@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 ZINC000095617059 211282552 /nfs/dbraw/zinc/28/25/52/211282552.db2.gz JOWKLGMNVUYQGV-INIZCTEOSA-N -1 0 393.483 5.043 40 0 GKABRM CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000020141888 207180724 /nfs/dbraw/zinc/18/07/24/207180724.db2.gz GIRMNKSSCYPLMI-JTQLQIEISA-N -1 0 382.243 5.121 40 0 GKABRM COc1ccccc1Nc1nc(-c2ccc(C(C)C)cc2)c(CC(=O)[O-])s1 ZINC000021006012 210374139 /nfs/dbraw/zinc/37/41/39/210374139.db2.gz BXCXITGRPZRCJU-UHFFFAOYSA-N -1 0 382.485 5.313 40 0 GKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020145425 210319885 /nfs/dbraw/zinc/31/98/85/210319885.db2.gz WPCICNQUDCVVAR-WEVVVXLNSA-N -1 0 399.805 5.398 40 0 GKABRM O=C([O-])c1cc(NC(=O)CSc2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000020151183 210319636 /nfs/dbraw/zinc/31/96/36/210319636.db2.gz QBMACSRMVGGSLW-UHFFFAOYSA-N -1 0 390.675 5.076 40 0 GKABRM Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(C(=O)[O-])c1O ZINC000020139559 210318959 /nfs/dbraw/zinc/31/89/59/210318959.db2.gz DJHLQUPEORAFCT-UHFFFAOYSA-N -1 0 396.251 5.173 40 0 GKABRM CC(C)(C)c1ccccc1O[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000225138690 208942479 /nfs/dbraw/zinc/94/24/79/208942479.db2.gz BTGHWVCGHSVXML-QHCPKHFHSA-N -1 0 390.479 5.851 40 0 GKABRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000006030250 220913775 /nfs/dbraw/zinc/91/37/75/220913775.db2.gz WRMRAQBPFAXGNJ-VYIMKSKESA-N -1 0 388.548 5.218 40 0 in-vitro GKABRM CC(C)[C@H]1O[C@H]2c3cccc(-c4ccccc4)c3OC(C)(C)[C@@H]2C[C@H]1C(=O)[O-] ZINC000257204334 209055934 /nfs/dbraw/zinc/05/59/34/209055934.db2.gz AUAYCLPEJJDADS-VMBXEPDQSA-N -1 0 380.484 5.328 40 0 GKABRM CCOc1ccc(Nc2nc(-c3ccc(C)c(C)c3)c(CC(=O)[O-])s2)cc1 ZINC000019894576 221461538 /nfs/dbraw/zinc/46/15/38/221461538.db2.gz MMIJKSNSCYDFRA-UHFFFAOYSA-N -1 0 382.485 5.196 40 0 GKABRM COc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)[O-])s2)cc1 ZINC000408888645 534192807 /nfs/dbraw/zinc/19/28/07/534192807.db2.gz YGNNTBQPICQLAG-UHFFFAOYSA-N -1 0 382.485 5.313 40 0 GKABRM O=C(C(Cc1ccc(Cl)nc1)=C([O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000408731863 534745670 /nfs/dbraw/zinc/74/56/70/534745670.db2.gz NNOKJVVYIRKUKT-SFHVURJKSA-N -1 0 384.262 5.313 40 0 GKABRM O=C(C(Cc1ccc(Cl)nc1)=C([O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000408731862 534744643 /nfs/dbraw/zinc/74/46/43/534744643.db2.gz NNOKJVVYIRKUKT-GOSISDBHSA-N -1 0 384.262 5.313 40 0 GKABRM CC(C)c1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409001923 528136860 /nfs/dbraw/zinc/13/68/60/528136860.db2.gz XZPKPKGCLKDEHV-HJOGWXRNSA-N -1 0 383.491 5.979 40 0 GKABRM CCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)cc1 ZINC000408887261 528556433 /nfs/dbraw/zinc/55/64/33/528556433.db2.gz NGSLWXKHKZOWRN-UHFFFAOYSA-N -1 0 388.876 5.233 40 0 GKABRM CCOc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409002232 528603398 /nfs/dbraw/zinc/60/33/98/528603398.db2.gz ZHTSQFSHLQCXOX-VABKMULXSA-N -1 0 385.463 5.255 40 0 GKABRM CCOc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3c4ccccc4C[C@H]32)cc1 ZINC000409002235 528604059 /nfs/dbraw/zinc/60/40/59/528604059.db2.gz ZHTSQFSHLQCXOX-ZLNRFVROSA-N -1 0 385.463 5.255 40 0 GKABRM CCCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1 ZINC000408750650 528745209 /nfs/dbraw/zinc/74/52/09/528745209.db2.gz PXSSPQNOWICPPY-UHFFFAOYSA-N -1 0 386.498 5.139 40 0 GKABRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](CC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000004104893 560197041 /nfs/dbraw/zinc/19/70/41/560197041.db2.gz IFVNTDMYODIPOG-QFSWKNFVSA-N -1 0 376.537 5.052 40 0 biogenic,in-vitro GKABRM CC(C)c1nc(Cc2ccc(F)cc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265528 570232510 /nfs/dbraw/zinc/23/25/10/570232510.db2.gz RWYLAWJCMAHFFE-UHFFFAOYSA-N -1 0 383.850 5.954 40 0 GKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1Cl ZINC000020140364 570242700 /nfs/dbraw/zinc/24/27/00/570242700.db2.gz ZWXGINFJTFJSQZ-UHFFFAOYSA-N -1 0 394.185 5.343 40 0 GKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000020140088 570242744 /nfs/dbraw/zinc/24/27/44/570242744.db2.gz YPQLAJSNPFUXLZ-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM Cc1c(C(=O)[O-])c2ccccc2n1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000216892569 570308954 /nfs/dbraw/zinc/30/89/54/570308954.db2.gz AUHVMIWKDGJOOV-NSHDSACASA-N -1 0 392.238 5.062 40 0 GKABRM C[C@]1(Cc2ccccc2Cl)CCc2cccc(-c3cccc(C(=O)[O-])c3)c2O1 ZINC000585265477 570320605 /nfs/dbraw/zinc/32/06/05/570320605.db2.gz FRKILLPMNYKCCS-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(Cc2ccc(F)cc2)n1 ZINC000585265256 570320777 /nfs/dbraw/zinc/32/07/77/570320777.db2.gz KQBJNCRTQAHJED-UHFFFAOYSA-N -1 0 379.431 5.274 40 0 GKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(Cc2ccc(Cl)cc2)n1 ZINC000585265100 570321011 /nfs/dbraw/zinc/32/10/11/570321011.db2.gz GBZUJYUDBRWBBJ-UHFFFAOYSA-N -1 0 395.886 5.788 40 0 GKABRM Cc1ccc(CCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)[O-])cc1 ZINC000585265999 570321116 /nfs/dbraw/zinc/32/11/16/570321116.db2.gz XTWRCPMPUADVHV-UHFFFAOYSA-N -1 0 375.468 5.328 40 0 GKABRM C[C@]1(Cc2ccccc2Cl)CCc2cccc(-c3ccccc3C(=O)[O-])c2O1 ZINC000585265771 570321143 /nfs/dbraw/zinc/32/11/43/570321143.db2.gz PRRXUVMXXKARFP-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM C[C@@]1(Cc2cccc(Cl)c2)CCc2cccc(-c3ccc(C(=O)[O-])cc3)c2O1 ZINC000585265922 570321221 /nfs/dbraw/zinc/32/12/21/570321221.db2.gz XFEIZCIMBALTDC-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM C[C@@]1(Cc2ccccc2Cl)CCc2cccc(-c3ccc(C(=O)[O-])cc3)c2O1 ZINC000585265958 570321261 /nfs/dbraw/zinc/32/12/61/570321261.db2.gz ZNYURUPCJANROZ-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000003636290 570349243 /nfs/dbraw/zinc/34/92/43/570349243.db2.gz LQRFBQYOWQVTGJ-LOJOQKOYSA-N -1 0 398.300 5.444 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]21 ZINC000004151480 570360264 /nfs/dbraw/zinc/36/02/64/570360264.db2.gz DGYNGOFUPMFDGT-DQRQPOSWSA-N -1 0 398.300 5.444 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000222088388 570407248 /nfs/dbraw/zinc/40/72/48/570407248.db2.gz DGYNGOFUPMFDGT-AFNOLDPESA-N -1 0 398.300 5.444 40 0 GKABRM Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000006965690 570413544 /nfs/dbraw/zinc/41/35/44/570413544.db2.gz HLLAFWCXFWZECA-JMERFSKESA-N -1 0 384.273 5.282 40 0 GKABRM CCOc1ccc2nc([N-]c3nc4cc(-c5ccccc5)ccc4o3)sc2c1 ZINC000057353008 570468024 /nfs/dbraw/zinc/46/80/24/570468024.db2.gz UOGYLFSRYAVYQA-UHFFFAOYSA-N -1 0 387.464 6.247 40 0 GKABRM O=S(=O)([N-]c1ccccc1SCc1ccc(Cl)cc1)c1cccs1 ZINC000223656975 570477100 /nfs/dbraw/zinc/47/71/00/570477100.db2.gz WCTSSEDGIXMHSA-UHFFFAOYSA-N -1 0 395.958 5.495 40 0 GKABRM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000000813050 570484571 /nfs/dbraw/zinc/48/45/71/570484571.db2.gz IAAMMZGHSHLXJT-UHFFFAOYSA-N -1 0 375.449 5.168 40 0 GKABRM C[C@@H](CCC(=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 ZINC000027722106 570504745 /nfs/dbraw/zinc/50/47/45/570504745.db2.gz SMEROWZSTRWXGI-AOUCNHLBSA-N -1 0 376.581 5.507 40 0 in-vitro GKABRM Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)[O-])c1 ZINC000225110316 570549684 /nfs/dbraw/zinc/54/96/84/570549684.db2.gz MUCSLGRIBGFVPF-QHCPKHFHSA-N -1 0 376.452 5.479 40 0 GKABRM Cc1ccc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1C ZINC000225134418 570551370 /nfs/dbraw/zinc/55/13/70/570551370.db2.gz GNGUKSOXSHOXSL-QFIPXVFZSA-N -1 0 396.870 5.824 40 0 GKABRM Cc1cc(C)cc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225133774 570551412 /nfs/dbraw/zinc/55/14/12/570551412.db2.gz HRNPWWYREUOUDS-JOCHJYFZSA-N -1 0 396.870 5.824 40 0 GKABRM COc1ccc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225134283 570551537 /nfs/dbraw/zinc/55/15/37/570551537.db2.gz PXVDNPXMPVPJRD-OAQYLSRUSA-N -1 0 398.842 5.216 40 0 GKABRM O=C([O-])[C@H](Cc1ccccc1Oc1ccccc1)Oc1cccc2ccccc21 ZINC000225139724 570551726 /nfs/dbraw/zinc/55/17/26/570551726.db2.gz QTGPWJSQBQKKJI-DEOSSOPVSA-N -1 0 384.431 5.707 40 0 GKABRM CCCCCCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000004832467 570633404 /nfs/dbraw/zinc/63/34/04/570633404.db2.gz JBSLSZWLFYDHGN-PHZLKFDYSA-N -1 0 380.484 5.008 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408991698 570665727 /nfs/dbraw/zinc/66/57/27/570665727.db2.gz OWTUQDKBPRKSDX-QHAWAJNXSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408991693 570690545 /nfs/dbraw/zinc/69/05/45/570690545.db2.gz OWTUQDKBPRKSDX-PCCBWWKXSA-N -1 0 375.855 5.509 40 0 GKABRM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)c1cccc(Cl)c1Cl ZINC000001262727 570714176 /nfs/dbraw/zinc/71/41/76/570714176.db2.gz WYDXBIZTZDUWEU-UHFFFAOYSA-N -1 0 379.026 5.251 40 0 GKABRM CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CCC[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000005230565 570731696 /nfs/dbraw/zinc/73/16/96/570731696.db2.gz WWVQLMQJZZQLPX-ADVGVHKSSA-N -1 0 390.652 7.563 40 0 GKABRM O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C=C[C@@H]1c1ccccc1 ZINC000005666805 570734961 /nfs/dbraw/zinc/73/49/61/570734961.db2.gz UTNTVHPWAVAQCT-YCAMKHIRSA-N -1 0 397.474 5.080 40 0 GKABRM O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)C=C[C@@H]1c1ccccc1 ZINC000005666154 570734968 /nfs/dbraw/zinc/73/49/68/570734968.db2.gz UTNTVHPWAVAQCT-KEZOAJOQSA-N -1 0 397.474 5.080 40 0 GKABRM COc1ccc(Cl)cc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1 ZINC000006320149 570741715 /nfs/dbraw/zinc/74/17/15/570741715.db2.gz MVTZCXBKQOHTNC-UHFFFAOYSA-N -1 0 390.266 5.477 40 0 GKABRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000013440006 570754879 /nfs/dbraw/zinc/75/48/79/570754879.db2.gz UAUBFORPDAYLIE-UHFFFAOYSA-N -1 0 390.222 5.133 40 0 GKABRM Cc1[n-]n2c(nc(C)c(Cc3ccc(C(C)(C)C)cc3)c2=O)c1-c1ccccc1 ZINC000014163590 570878861 /nfs/dbraw/zinc/87/88/61/570878861.db2.gz DNOYECJZWNGMNM-UHFFFAOYSA-N -1 0 385.511 5.195 40 0 GKABRM O=C([O-])c1sc2cc(Oc3ccc(Br)cc3)ccc2c1Cl ZINC000228936925 570952130 /nfs/dbraw/zinc/95/21/30/570952130.db2.gz QALQOQNWPBZFND-UHFFFAOYSA-N -1 0 383.650 5.808 40 0 GKABRM O=C([O-])CCn1c(-c2ccccc2)cs/c1=N/c1ccc(Cl)cc1Cl ZINC000003285146 570955687 /nfs/dbraw/zinc/95/56/87/570955687.db2.gz IHZAGNIZZHUEAC-DYTRJAOYSA-N -1 0 393.295 5.231 40 0 GKABRM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000020394479 230904176 /nfs/dbraw/zinc/90/41/76/230904176.db2.gz HQFXKFZROKOLMG-UHFFFAOYSA-N -1 0 399.475 5.196 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000408997273 231143990 /nfs/dbraw/zinc/14/39/90/231143990.db2.gz NLVSEGRBDAGRMK-AFESJLNVSA-N -1 0 391.470 6.009 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408998879 231144839 /nfs/dbraw/zinc/14/48/39/231144839.db2.gz QRPFLRQSDVUIDR-SESVDKBCSA-N -1 0 375.855 5.509 40 0 GKABRM Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409119078 231166183 /nfs/dbraw/zinc/16/61/83/231166183.db2.gz QLMNOXRTDRKMNJ-UHFFFAOYSA-N -1 0 381.859 5.538 40 0 GKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc3ccccc31)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000409337659 231192042 /nfs/dbraw/zinc/19/20/42/231192042.db2.gz XEEQRDBJMOPGNI-DSNGMDLFSA-N -1 0 391.470 6.009 40 0 GKABRM Cc1cc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])ccc1Cl ZINC000225131182 222670638 /nfs/dbraw/zinc/67/06/38/222670638.db2.gz VXXHSLMNHSYLKO-HXUWFJFHSA-N -1 0 398.911 5.874 40 0 GKABRM Cc1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)c1 ZINC000257240961 222761985 /nfs/dbraw/zinc/76/19/85/222761985.db2.gz HVXWPUGSEZRCRS-UHFFFAOYSA-N -1 0 398.890 5.298 40 0 GKABRM FC(F)(F)c1cc([N-]C(=S)SCc2ccc(Cl)cc2)ccc1Cl ZINC000006512349 209653724 /nfs/dbraw/zinc/65/37/24/209653724.db2.gz AUIFWFKHHKPFCX-UHFFFAOYSA-N -1 0 396.286 6.642 40 0 GKABRM Cc1ccc2c(c1)c(CC(=O)[O-])c(-c1ccccc1)n2Cc1ccc(Cl)cc1 ZINC000001752168 209339167 /nfs/dbraw/zinc/33/91/67/209339167.db2.gz DGDZFRWSJOSTCV-UHFFFAOYSA-N -1 0 389.882 5.946 40 0 GKABRM CC(C)[C@H]1O[C@H]2c3cc(-c4ccccc4)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)[O-] ZINC000257300008 212019692 /nfs/dbraw/zinc/01/96/92/212019692.db2.gz RSNXBFSDMNHSET-PSBKLILYSA-N -1 0 380.484 5.328 40 0 GKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000005610847 204143504 /nfs/dbraw/zinc/14/35/04/204143504.db2.gz GHWYTFLXNRYMJI-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM Cc1ccc([N-]C(=S)SCC(=O)c2ccc(Br)cc2)cc1 ZINC000006400915 204176682 /nfs/dbraw/zinc/17/66/82/204176682.db2.gz WJYINFIZSPBTET-UHFFFAOYSA-N -1 0 380.332 5.070 40 0 GKABRM CCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 ZINC000257281113 212015952 /nfs/dbraw/zinc/01/59/52/212015952.db2.gz ONRIBRMRVZMEAE-UHFFFAOYSA-N -1 0 396.462 5.038 40 0 GKABRM Cc1ccc(CCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc1 ZINC000257238146 212008602 /nfs/dbraw/zinc/00/86/02/212008602.db2.gz HJUNXDZKTDXKAX-UHFFFAOYSA-N -1 0 377.459 5.803 40 0 GKABRM O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 ZINC000020145408 204704792 /nfs/dbraw/zinc/70/47/92/204704792.db2.gz NXMSUZKTIUEXNL-RMKNXTFCSA-N -1 0 385.778 5.089 40 0 GKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(C(=O)[O-])c3)o2)cc1Cl ZINC000020145459 204704925 /nfs/dbraw/zinc/70/49/25/204704925.db2.gz QBRYXFZYGAHXPF-CSKARUKUSA-N -1 0 381.815 5.259 40 0 GKABRM O=C([O-])[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1cccc2ccccc21 ZINC000225110490 211883450 /nfs/dbraw/zinc/88/34/50/211883450.db2.gz HHEYWQYQOKGTIB-XMMPIXPASA-N -1 0 384.431 5.707 40 0 GKABRM O=C([N-]C(=O)c1ccccc1SCc1ccccc1)SCc1ccccc1 ZINC000040385364 205062633 /nfs/dbraw/zinc/06/26/33/205062633.db2.gz LXUMWLSVOQOFGN-UHFFFAOYSA-N -1 0 393.533 5.762 40 0 GKABRM CCCCC[C@H](O)/C=C/[C@H]1C[C@H]2C[C@@H]([C@H]1C/C=C\CCCC(=O)[O-])C2(C)C ZINC000064858995 205197658 /nfs/dbraw/zinc/19/76/58/205197658.db2.gz OHJIHGVLRDHSDV-DCPWGKAESA-N -1 0 376.581 5.983 40 0 in-vitro GKABRM O=C([O-])c1ccc(-c2cc(-c3ccc(F)cc3)n(CCc3ccccc3)n2)cc1 ZINC000103298881 205645310 /nfs/dbraw/zinc/64/53/10/205645310.db2.gz UGCHRQMXBAPGLW-UHFFFAOYSA-N -1 0 386.426 5.297 40 0 GKABRM C[C@@H](CCC(=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 ZINC000027725711 206018120 /nfs/dbraw/zinc/01/81/20/206018120.db2.gz SMEROWZSTRWXGI-IAHJDQBVSA-N -1 0 376.581 5.507 40 0 in-vitro GKABRM CC(C)(C)c1ccccc1O[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000225109528 206037842 /nfs/dbraw/zinc/03/78/42/206037842.db2.gz FNFNLHALOFIGPQ-HSZRJFAPSA-N -1 0 390.479 5.851 40 0 GKABRM Cc1ccccc1O[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225133018 206038469 /nfs/dbraw/zinc/03/84/69/206038469.db2.gz LPIJCSAQEIOWTK-NRFANRHFSA-N -1 0 382.843 5.515 40 0 GKABRM O=C([O-])[C@@H](Cc1ccccc1Oc1ccccc1)Oc1ccc2ccccc2c1 ZINC000225139775 206038782 /nfs/dbraw/zinc/03/87/82/206038782.db2.gz UIVPOUGYQYTFSO-XMMPIXPASA-N -1 0 384.431 5.707 40 0 GKABRM Cc1ccc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])cc1C ZINC000225131777 206039837 /nfs/dbraw/zinc/03/98/37/206039837.db2.gz OYGXJNQGMISBRS-OAQYLSRUSA-N -1 0 378.493 5.529 40 0 GKABRM C[C@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257286960 206173692 /nfs/dbraw/zinc/17/36/92/206173692.db2.gz PNUZWNHJAMAIBD-VLMIVJFISA-N -1 0 386.875 5.459 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@H]1c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000257235784 206164301 /nfs/dbraw/zinc/16/43/01/206164301.db2.gz GZKIKMVDQRNMSC-NRFANRHFSA-N -1 0 395.499 5.904 40 0 GKABRM CC(C)(C)OC(=O)N1CCCCC[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000257332892 206182247 /nfs/dbraw/zinc/18/22/47/206182247.db2.gz XZFWRMQLHNXKAQ-NRFANRHFSA-N -1 0 395.499 5.904 40 0 GKABRM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000001703585 211610859 /nfs/dbraw/zinc/61/08/59/211610859.db2.gz MVMFSBWNHGJBKU-UHFFFAOYSA-N -1 0 387.049 6.214 40 0 GKABRM O=C([O-])c1cc(Cl)cc2c1[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccc(F)c(F)c1)N2 ZINC000004722461 206547291 /nfs/dbraw/zinc/54/72/91/206547291.db2.gz NOBCPIABFOJRDO-BUKYDHEASA-N -1 0 389.829 5.613 40 0 GKABRM CCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000020141762 207180432 /nfs/dbraw/zinc/18/04/32/207180432.db2.gz OPEPJEGXCAQEMG-UHFFFAOYSA-N -1 0 382.243 5.123 40 0 GKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 ZINC000020140358 210318860 /nfs/dbraw/zinc/31/88/60/210318860.db2.gz GWTPGTHDZADSIL-UHFFFAOYSA-N -1 0 394.185 5.343 40 0 GKABRM O=C([O-])c1ccc2[nH]c(-c3cccc(OCc4ccccc4Cl)c3)nc2c1 ZINC000256027874 209045990 /nfs/dbraw/zinc/04/59/90/209045990.db2.gz HVJZAZHWCNTFFN-UHFFFAOYSA-N -1 0 378.815 5.161 40 0 GKABRM CC(C)C[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1ccccc1 ZINC000257211242 209055789 /nfs/dbraw/zinc/05/57/89/209055789.db2.gz BYBVRMCMZVYRFY-UZVYXBEXSA-N -1 0 394.511 5.832 40 0 GKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccc(C)c(C)c2)n1 ZINC000257275725 209065734 /nfs/dbraw/zinc/06/57/34/209065734.db2.gz NQQMFDRWMKOBBU-UHFFFAOYSA-N -1 0 377.440 5.041 40 0 GKABRM CC(C)Cc1nc(Cc2ccc(F)cc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257321079 209074907 /nfs/dbraw/zinc/07/49/07/209074907.db2.gz WAABJKMUQUFTCN-UHFFFAOYSA-N -1 0 381.422 5.514 40 0 GKABRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000104274369 222502528 /nfs/dbraw/zinc/50/25/28/222502528.db2.gz LGHNWQUPQDFEAG-UHFFFAOYSA-N -1 0 398.673 5.208 40 0 GKABRM COc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccccc1Cl ZINC000408603653 533914251 /nfs/dbraw/zinc/91/42/51/533914251.db2.gz CEAIXLDBSAULGR-UHFFFAOYSA-N -1 0 397.858 5.238 40 0 GKABRM O=C([O-])c1cccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 ZINC000409116164 534549267 /nfs/dbraw/zinc/54/92/67/534549267.db2.gz KZQRBNXHEGQKGX-UHFFFAOYSA-N -1 0 398.487 5.801 40 0 GKABRM O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1Cc1ccccc1F ZINC000106695108 534823498 /nfs/dbraw/zinc/82/34/98/534823498.db2.gz WVECKYFKZSGLJJ-AUWJEWJLSA-N -1 0 398.242 5.075 40 0 GKABRM CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1C(=O)[O-] ZINC000409337133 527767424 /nfs/dbraw/zinc/76/74/24/527767424.db2.gz XNRDUUIBKFBAJW-AREMUKBSSA-N -1 0 399.490 5.520 40 0 GKABRM CC(C)c1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)[O-])cc1 ZINC000408885892 528051869 /nfs/dbraw/zinc/05/18/69/528051869.db2.gz GLCJXWWHICKIIE-UHFFFAOYSA-N -1 0 386.904 5.380 40 0 GKABRM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1 ZINC000408994943 528137134 /nfs/dbraw/zinc/13/71/34/528137134.db2.gz IGFWKTPZFNFQPP-CAOCKLPOSA-N -1 0 383.491 5.979 40 0 GKABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccccc1F ZINC000408612667 528287101 /nfs/dbraw/zinc/28/71/01/528287101.db2.gz UCEXIDZLOZNWFI-UHFFFAOYSA-N -1 0 395.430 5.114 40 0 GKABRM CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000408996432 528603199 /nfs/dbraw/zinc/60/31/99/528603199.db2.gz DRQGRXZIPIPURA-XWGVYQGASA-N -1 0 385.463 5.255 40 0 GKABRM CCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000408996430 528603891 /nfs/dbraw/zinc/60/38/91/528603891.db2.gz DRQGRXZIPIPURA-NHTMILBNSA-N -1 0 385.463 5.255 40 0 GKABRM CCCCSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2s1 ZINC000408751028 528745014 /nfs/dbraw/zinc/74/50/14/528745014.db2.gz VOMWLIBKTVRRBZ-KGLIPLIRSA-N -1 0 392.546 5.018 40 0 GKABRM CC(C)(C)c1ccc2nc(C(F)(F)F)c(C(=O)[O-])c(Br)c2c1 ZINC000096171847 570218817 /nfs/dbraw/zinc/21/88/17/570218817.db2.gz QDHMZUMFQAHXCC-UHFFFAOYSA-N -1 0 376.172 5.012 40 0 GKABRM O=C([O-])Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000019894575 570228224 /nfs/dbraw/zinc/22/82/24/570228224.db2.gz QSKAEHCWKABAOU-UHFFFAOYSA-N -1 0 378.375 5.200 40 0 GKABRM CC(C)Oc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccc(Cl)cc2)n1 ZINC000585265163 570232165 /nfs/dbraw/zinc/23/21/65/570232165.db2.gz HXBRGRCAPVOAFN-UHFFFAOYSA-N -1 0 397.858 5.466 40 0 GKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2cccc(Cl)c2)n1 ZINC000585265912 570232771 /nfs/dbraw/zinc/23/27/71/570232771.db2.gz UQNRPAAEJJRHQH-UHFFFAOYSA-N -1 0 397.858 5.468 40 0 GKABRM C[C@]1(Cc2ccccc2F)CCc2ccc(-c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000585265950 570232927 /nfs/dbraw/zinc/23/29/27/570232927.db2.gz ZFBHMPNOMJYUMA-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cccc2c(Cl)cccc12 ZINC000020138966 570242309 /nfs/dbraw/zinc/24/23/09/570242309.db2.gz VATUJLXXIBLVCG-UHFFFAOYSA-N -1 0 390.222 5.106 40 0 GKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1Cl ZINC000020140382 570242645 /nfs/dbraw/zinc/24/26/45/570242645.db2.gz DHULRHPYWPMJJU-UHFFFAOYSA-N -1 0 394.185 5.343 40 0 GKABRM Cc1c(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cccc1C(=O)[O-] ZINC000020140086 570242651 /nfs/dbraw/zinc/24/26/51/570242651.db2.gz PBPCEUBJMKUATG-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM Cc1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cccc1C(=O)[O-] ZINC000020139985 570242724 /nfs/dbraw/zinc/24/27/24/570242724.db2.gz YVPVABVUWXMZEU-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1Cl ZINC000020140205 570242737 /nfs/dbraw/zinc/24/27/37/570242737.db2.gz WLNFBEZLLMYZAK-UHFFFAOYSA-N -1 0 376.195 5.204 40 0 GKABRM Cc1c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cccc1C(=O)[O-] ZINC000020140143 570242753 /nfs/dbraw/zinc/24/27/53/570242753.db2.gz KAALJCBPJXYQME-UHFFFAOYSA-N -1 0 390.222 5.512 40 0 GKABRM CC(C)(C)c1cc(Cl)cc(Sc2cc(Cl)cc(C(C)(C)C)c2O)c1[O-] ZINC000005434571 570254734 /nfs/dbraw/zinc/25/47/34/570254734.db2.gz STBISWCOPIJZJA-UHFFFAOYSA-N -1 0 399.383 7.151 40 0 GKABRM O=c1cc([O-])c2sc3nc(-c4ccc(F)cc4)cc(-c4cccs4)c3c2[nH]1 ZINC000005491282 570259159 /nfs/dbraw/zinc/25/91/59/570259159.db2.gz AINPBZBUTHEPSK-UHFFFAOYSA-N -1 0 394.452 5.378 40 0 GKABRM O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2n[n-]c(=S)s2)cc1 ZINC000005634272 570272234 /nfs/dbraw/zinc/27/22/34/570272234.db2.gz OMXVTBSRJLUGHM-UHFFFAOYSA-N -1 0 393.946 5.025 40 0 GKABRM CCc1cc(Sc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000005877279 570274082 /nfs/dbraw/zinc/27/40/82/570274082.db2.gz WSBKIGXYPWZTJN-UHFFFAOYSA-N -1 0 386.601 6.969 40 0 GKABRM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000100998550 570280271 /nfs/dbraw/zinc/28/02/71/570280271.db2.gz GCJFWCCEHONXST-LADGPHEKSA-N -1 0 382.463 5.082 40 0 GKABRM Cc1nc([N-]c2nc(-c3cccs3)cc(C(F)(F)F)n2)nc2ccccc12 ZINC000020798200 570280930 /nfs/dbraw/zinc/28/09/30/570280930.db2.gz LNPCHKNCUVOUOZ-UHFFFAOYSA-N -1 0 387.390 5.219 40 0 GKABRM CCOc1ccccc1-c1cc(-c2ccc(C(=O)[O-])cc2)nn1Cc1ccccc1 ZINC000103298774 570295002 /nfs/dbraw/zinc/29/50/02/570295002.db2.gz VSCINDGGWYEMMI-UHFFFAOYSA-N -1 0 398.462 5.362 40 0 GKABRM O=C([O-])c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 ZINC000217681280 570320342 /nfs/dbraw/zinc/32/03/42/570320342.db2.gz LQRFBQYOWQVTGJ-HOHJNREFSA-N -1 0 398.300 5.444 40 0 GKABRM CC(C)Oc1ccccc1-c1ccc(C(=O)[O-])c(Cc2ccc(Cl)cc2)n1 ZINC000585265401 570320538 /nfs/dbraw/zinc/32/05/38/570320538.db2.gz MBQOCHNZGDWPGK-UHFFFAOYSA-N -1 0 381.859 5.478 40 0 GKABRM C[C@]1(Cc2cccc(Cl)c2)CCc2ccc(-c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000585265455 570320609 /nfs/dbraw/zinc/32/06/09/570320609.db2.gz DXLYBCJYWMJUME-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM C[C@]1(Cc2cccc(F)c2)CCc2ccc(-c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000585265428 570320634 /nfs/dbraw/zinc/32/06/34/570320634.db2.gz DFNBHCQSFRKCRU-XMMPIXPASA-N -1 0 376.427 5.517 40 0 GKABRM Cc1cccc(OCc2nc(-c3cc(C)ccc3OC(C)C)ccc2C(=O)[O-])c1 ZINC000585265541 570320648 /nfs/dbraw/zinc/32/06/48/570320648.db2.gz SEKNNHZKKVOJNP-UHFFFAOYSA-N -1 0 391.467 5.430 40 0 GKABRM Cc1ccc(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])cc1 ZINC000585264982 570320807 /nfs/dbraw/zinc/32/08/07/570320807.db2.gz AFJBMYHYLMYOEA-UHFFFAOYSA-N -1 0 395.886 6.111 40 0 GKABRM Cc1ccc(OCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)[O-])c(C)c1 ZINC000585265098 570320926 /nfs/dbraw/zinc/32/09/26/570320926.db2.gz GRRKPEOPPBZGBE-UHFFFAOYSA-N -1 0 391.467 5.430 40 0 GKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000585265334 570320941 /nfs/dbraw/zinc/32/09/41/570320941.db2.gz LULXCKLTYVDSDW-UHFFFAOYSA-N -1 0 375.468 5.329 40 0 GKABRM COc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(CCc3ccccc3)n2)c1 ZINC000585265322 570320967 /nfs/dbraw/zinc/32/09/67/570320967.db2.gz JJUPLRZRSLHYDL-UHFFFAOYSA-N -1 0 391.467 5.028 40 0 GKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(CCc2ccccc2)n1 ZINC000585265072 570320978 /nfs/dbraw/zinc/32/09/78/570320978.db2.gz GFHPFGYMCABBBB-UHFFFAOYSA-N -1 0 391.467 5.029 40 0 GKABRM C[C@]1(Cc2cccc(Cl)c2)CCc2cccc(-c3ccc(C(=O)[O-])cc3)c2O1 ZINC000585265924 570321163 /nfs/dbraw/zinc/32/11/63/570321163.db2.gz XFEIZCIMBALTDC-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM C[C@]1(Cc2cccc(Cl)c2)CCc2cccc(-c3cccc(C(=O)[O-])c3)c2O1 ZINC000585265947 570321198 /nfs/dbraw/zinc/32/11/98/570321198.db2.gz ZDKUMAWJUFGCDI-XMMPIXPASA-N -1 0 392.882 6.032 40 0 GKABRM C[C@@]1(Cc2cccc(Cl)c2)CCc2cc(-c3ccccc3C(=O)[O-])ccc2O1 ZINC000585265905 570321280 /nfs/dbraw/zinc/32/12/80/570321280.db2.gz WIDVVUUFMSKQRH-DEOSSOPVSA-N -1 0 392.882 6.032 40 0 GKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000004293093 570366055 /nfs/dbraw/zinc/36/60/55/570366055.db2.gz OBUOWZOYJNAMCZ-BNZAUPJCSA-N -1 0 376.581 5.507 40 0 GKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000004293137 570366183 /nfs/dbraw/zinc/36/61/83/570366183.db2.gz JVMCMMXFADJQKU-FFTFMYBLSA-N -1 0 376.581 5.507 40 0 GKABRM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000223436027 570466229 /nfs/dbraw/zinc/46/62/29/570466229.db2.gz JCAZVSYNIJXSOO-UHFFFAOYSA-N -1 0 382.721 5.170 40 0 GKABRM O=C([O-])[C@H](Cc1ccc(Cl)cc1Cl)Oc1ccc(-c2ccccc2)cc1 ZINC000225085719 570548098 /nfs/dbraw/zinc/54/80/98/570548098.db2.gz BMBSUZSROXXXDG-FQEVSTJZSA-N -1 0 387.262 5.735 40 0 GKABRM O=C([O-])[C@@H](Cc1cccc(C(F)(F)F)c1)Oc1ccc(-c2ccccc2)cc1 ZINC000225094044 570548592 /nfs/dbraw/zinc/54/85/92/570548592.db2.gz FWUJZMJAMKLQDR-HXUWFJFHSA-N -1 0 386.369 5.447 40 0 GKABRM O=C([O-])[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc2ccccc2c1 ZINC000225110605 570549745 /nfs/dbraw/zinc/54/97/45/570549745.db2.gz YYMHRZXRZAPJDY-DEOSSOPVSA-N -1 0 384.431 5.707 40 0 GKABRM CC(C)c1ccccc1O[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000225110000 570549973 /nfs/dbraw/zinc/54/99/73/570549973.db2.gz LXTGEWPJCTWPKN-HSZRJFAPSA-N -1 0 376.452 5.677 40 0 GKABRM Cc1ccc(S[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])cc1 ZINC000225132128 570551362 /nfs/dbraw/zinc/55/13/62/570551362.db2.gz HIKSUCRVCFJIHQ-NRFANRHFSA-N -1 0 380.534 5.934 40 0 GKABRM Cc1cccc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225133143 570551510 /nfs/dbraw/zinc/55/15/10/570551510.db2.gz CYJYWYLOOCZXHV-OAQYLSRUSA-N -1 0 382.843 5.515 40 0 GKABRM COc1ccccc1O[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225134085 570551528 /nfs/dbraw/zinc/55/15/28/570551528.db2.gz OTDAQLJYRJCFOZ-NRFANRHFSA-N -1 0 398.842 5.216 40 0 GKABRM C[C@H](CCC(=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 ZINC000004683730 570635950 /nfs/dbraw/zinc/63/59/50/570635950.db2.gz SMEROWZSTRWXGI-XBESLWPFSA-N -1 0 376.581 5.507 40 0 endogenous,in-man GKABRM O=C([O-])[C@H](/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc21)c1ccccc1 ZINC000103927584 570726514 /nfs/dbraw/zinc/72/65/14/570726514.db2.gz STADGCXAPKVVAH-UDXHRHDRSA-N -1 0 389.838 5.480 40 0 GKABRM O=C([O-])Cc1sc(Nc2ccccc2Cl)nc1-c1ccc(Cl)cc1 ZINC000005023203 570730918 /nfs/dbraw/zinc/73/09/18/570730918.db2.gz JOYYYTARMYSRNL-UHFFFAOYSA-N -1 0 379.268 5.488 40 0 GKABRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2c(C)cccc2C)cc1 ZINC000006845940 570752230 /nfs/dbraw/zinc/75/22/30/570752230.db2.gz GBCYZSZPWSXIKD-UHFFFAOYSA-N -1 0 377.484 5.177 40 0 GKABRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013409268 570754360 /nfs/dbraw/zinc/75/43/60/570754360.db2.gz JVMCMMXFADJQKU-IGISFPCUSA-N -1 0 376.581 5.507 40 0 GKABRM Cc1[n-]n2c(nc(C)c(Cc3ccccc3Cl)c2=O)c1-c1ccc(Cl)cc1 ZINC000008018208 570764900 /nfs/dbraw/zinc/76/49/00/570764900.db2.gz PXDKRVUMNULJPF-UHFFFAOYSA-N -1 0 398.293 5.204 40 0 GKABRM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc2ccccc2c1 ZINC000014257155 570880104 /nfs/dbraw/zinc/88/01/04/570880104.db2.gz MPLXFITZFDGXMA-UHFFFAOYSA-N -1 0 375.449 5.433 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000169702393 570905018 /nfs/dbraw/zinc/90/50/18/570905018.db2.gz KWRGCTBNJCAWIA-AFVSYHSFSA-N -1 0 387.401 5.700 40 0 GKABRM O=C([O-])[C@H](/N=c1/cc(-c2ccccc2)oc2ccc(Cl)cc21)c1ccccc1 ZINC000016755017 570914246 /nfs/dbraw/zinc/91/42/46/570914246.db2.gz STADGCXAPKVVAH-UTDQILSNSA-N -1 0 389.838 5.480 40 0 GKABRM Cc1ccc(NCc2cc(Br)c([O-])c(Br)c2)c(C)c1 ZINC000225640759 570953249 /nfs/dbraw/zinc/95/32/49/570953249.db2.gz AQWVKBQTUKZBMN-UHFFFAOYSA-N -1 0 385.099 5.146 40 0 GKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000408997280 231143776 /nfs/dbraw/zinc/14/37/76/231143776.db2.gz NLVSEGRBDAGRMK-DMTNHVFBSA-N -1 0 391.470 6.009 40 0 GKABRM O=C([O-])[C@H](Sc1nc2c(c(-c3cccs3)n1)CCCC2)c1ccccc1 ZINC000016477173 210191274 /nfs/dbraw/zinc/19/12/74/210191274.db2.gz YIABJTWHAUGICI-GOSISDBHSA-N -1 0 382.510 5.002 40 0 GKABRM COc1ccc(Cl)cc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000225120663 222669321 /nfs/dbraw/zinc/66/93/21/222669321.db2.gz WCQAMMIROXYCQQ-NRFANRHFSA-N -1 0 382.843 5.090 40 0 GKABRM