smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cccc(/C=C\c2ccccn2)c1)c1ccccc1Cl ZINC000096401276 210238377 /nfs/dbraw/zinc/23/83/77/210238377.db2.gz WCSOIODVHOUETA-QXMHVHEDSA-N -1 0 370.861 4.706 50 0 FJAARM COC(=O)c1ccc2nc([N-]c3nc4ccc(F)cc4s3)sc2c1 ZINC000005025737 219641610 /nfs/dbraw/zinc/64/16/10/219641610.db2.gz KFFRIQFCZUGKAV-UHFFFAOYSA-N -1 0 359.407 4.575 50 0 FJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](CC(C)C)CC(=O)N3)cc1 ZINC000061717552 212025479 /nfs/dbraw/zinc/02/54/79/212025479.db2.gz UULGMJHCJVKFLQ-LBPRGKRZSA-N -1 0 359.447 4.594 50 0 FJAARM O=C([O-])CCCCCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000001874683 204021197 /nfs/dbraw/zinc/02/11/97/204021197.db2.gz NRTPBIGTUGKKTM-UHFFFAOYSA-N -1 0 356.491 4.803 50 0 FJAARM Cc1ccc(-c2cc3[n-]c(=S)n(Cc4ccccc4)c(=O)c3s2)cc1 ZINC000003885781 204112435 /nfs/dbraw/zinc/11/24/35/204112435.db2.gz OFLMHAZXXUAFGS-UHFFFAOYSA-N -1 0 364.495 4.770 50 0 FJAARM O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)SC1CCCCC1 ZINC000004118243 204121735 /nfs/dbraw/zinc/12/17/35/204121735.db2.gz COGGSKGILQHSPL-HNNXBMFYSA-N -1 0 371.296 4.541 50 0 FJAARM Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000004593174 204149801 /nfs/dbraw/zinc/14/98/01/204149801.db2.gz UYCYKBRZXGOMPH-UXHICEINSA-N -1 0 365.429 4.701 50 0 FJAARM O=C([O-])c1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000004621977 204150312 /nfs/dbraw/zinc/15/03/12/204150312.db2.gz XUVDXWDBJUGEIE-UHFFFAOYSA-N -1 0 351.377 4.715 50 0 FJAARM O=C([O-])C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000004653310 204151493 /nfs/dbraw/zinc/15/14/93/204151493.db2.gz FOXQGYSHXYXXQY-ZDUSSCGKSA-N -1 0 372.635 4.593 50 0 FJAARM O=C([O-])c1cc2cc(OCc3ccccc3)ccc2n1Cc1ccccc1 ZINC000004663592 204153278 /nfs/dbraw/zinc/15/32/78/204153278.db2.gz PZTRIEMIQUCLTR-UHFFFAOYSA-N -1 0 357.409 4.967 50 0 FJAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccc(Cl)cc1 ZINC000005522194 204213677 /nfs/dbraw/zinc/21/36/77/204213677.db2.gz XXHVBLOKVVBUIM-UHFFFAOYSA-N -1 0 356.683 4.963 50 0 FJAARM Cc1c([O-])ccc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc12 ZINC000005611628 204218076 /nfs/dbraw/zinc/21/80/76/204218076.db2.gz WTSXGZAXEIBWCU-UHFFFAOYSA-N -1 0 354.255 4.757 50 0 FJAARM COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)c(OC)c1 ZINC000006086346 204237535 /nfs/dbraw/zinc/23/75/35/204237535.db2.gz QAMLEQXAIRUAKH-SDNWHVSQSA-N -1 0 369.442 4.719 50 0 FJAARM O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3F)cc([O-])c12 ZINC000006454347 204247880 /nfs/dbraw/zinc/24/78/80/204247880.db2.gz SDOAQNBDHOSUSJ-UHFFFAOYSA-N -1 0 362.356 4.884 50 0 FJAARM COc1ccc(-c2nc(NC(=O)c3ccc([O-])c(Cl)c3)sc2C)cc1 ZINC000006967457 204285056 /nfs/dbraw/zinc/28/50/56/204285056.db2.gz PUOAIZAJEOFEEG-UHFFFAOYSA-N -1 0 374.849 4.738 50 0 FJAARM O=S(=O)([N-]c1cccc2ccccc21)c1ccccc1C(F)(F)F ZINC000007053570 204287894 /nfs/dbraw/zinc/28/78/94/204287894.db2.gz NSMZTJPXLBMZHB-UHFFFAOYSA-N -1 0 351.349 4.659 50 0 FJAARM O=C([O-])c1cc(-c2cccc(F)c2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000006748979 204265842 /nfs/dbraw/zinc/26/58/42/204265842.db2.gz NYEILSOQQNCHJB-UHFFFAOYSA-N -1 0 367.767 4.783 50 0 FJAARM O=C([O-])C/C(=C/c1ccccc1OC(F)F)c1nc2ccccc2s1 ZINC000008379948 204330059 /nfs/dbraw/zinc/33/00/59/204330059.db2.gz MBWNDCJMPINUIP-XFXZXTDPSA-N -1 0 361.369 4.913 50 0 FJAARM O=C([O-])Cc1sc(NC2CCCCC2)nc1-c1ccc(Cl)cc1 ZINC000008514157 204333269 /nfs/dbraw/zinc/33/32/69/204333269.db2.gz YLXSPWQOUOVTHX-UHFFFAOYSA-N -1 0 350.871 4.835 50 0 FJAARM C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000008720900 204340875 /nfs/dbraw/zinc/34/08/75/204340875.db2.gz XGGYNOALMDYQAQ-QVKFZJNVSA-N -1 0 372.424 4.713 50 0 FJAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1 ZINC000040267224 205064167 /nfs/dbraw/zinc/06/41/67/205064167.db2.gz WMFNRETVTZMOLJ-AWEZNQCLSA-N -1 0 350.399 4.632 50 0 FJAARM CCCN(CCC)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053382 205130949 /nfs/dbraw/zinc/13/09/49/205130949.db2.gz FNDMKNNLWOLWQH-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM CC(=O)O[C@H]1C[C@H]2C(=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C=C1C(C)C ZINC000096023663 205804015 /nfs/dbraw/zinc/80/40/15/205804015.db2.gz FSSCSAJMAPLBRB-JIWOIOHBSA-N -1 0 360.494 4.748 50 0 FJAARM Fc1cccc2sc([N-]c3nc4cc5c(cc4s3)OCCO5)nc21 ZINC000004137840 206171148 /nfs/dbraw/zinc/17/11/48/206171148.db2.gz DXTNNZHDKLFBQB-UHFFFAOYSA-N -1 0 359.407 4.560 50 0 aggregator FJAARM COc1cc2nc([N-]c3nc4c(cccc4C)s3)sc2cc1OC ZINC000005122738 206190745 /nfs/dbraw/zinc/19/07/45/206190745.db2.gz UVOXWARLUVSKQB-UHFFFAOYSA-N -1 0 357.460 4.975 50 0 FJAARM CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000002158336 206229670 /nfs/dbraw/zinc/22/96/70/206229670.db2.gz DIYDYTVBJNQNCR-UHFFFAOYSA-N -1 0 357.475 4.875 50 0 FJAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)cc1C ZINC000006846280 206242780 /nfs/dbraw/zinc/24/27/80/206242780.db2.gz WRFHJJNKJXJJHF-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM Cc1nn(CC(=O)[O-])c2nc(-c3cccc4ccccc43)cc(C(F)F)c12 ZINC000020615341 211292076 /nfs/dbraw/zinc/29/20/76/211292076.db2.gz QRIPVWVUUACSCV-UHFFFAOYSA-N -1 0 367.355 4.582 50 0 FJAARM Cc1sc2[n-]c(=S)n(Cc3ccncc3)c(=O)c2c1-c1ccccc1 ZINC000017075120 211177975 /nfs/dbraw/zinc/17/79/75/211177975.db2.gz QEASEDKUIXUYEY-UHFFFAOYSA-N -1 0 365.483 4.539 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000015082261 211121420 /nfs/dbraw/zinc/12/14/20/211121420.db2.gz IYCLKKRMAMTEDB-CQSZACIVSA-N -1 0 365.410 4.943 50 0 FJAARM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1cc(F)ccc1F ZINC000014256853 211088721 /nfs/dbraw/zinc/08/87/21/211088721.db2.gz CQEQMXHRKHYJBR-UHFFFAOYSA-N -1 0 361.369 4.558 50 0 FJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000004550871 210539911 /nfs/dbraw/zinc/53/99/11/210539911.db2.gz ACFQUUKSVVTRLU-UXHICEINSA-N -1 0 373.493 4.865 50 0 FJAARM Cc1cc(Cl)ccc1O[C@H](C)c1n[n-]c(=NC(=O)OCC(C)C)s1 ZINC000002844450 210428471 /nfs/dbraw/zinc/42/84/71/210428471.db2.gz FHFZEZBYZWQTGL-LLVKDONJSA-N -1 0 369.874 4.844 50 0 FJAARM COc1cccc(Nc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)c1 ZINC000002247664 210386123 /nfs/dbraw/zinc/38/61/23/210386123.db2.gz MENSGWDATASWEV-UHFFFAOYSA-N -1 0 373.412 4.763 50 0 FJAARM COc1ccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)cc1 ZINC000002393572 210394974 /nfs/dbraw/zinc/39/49/74/210394974.db2.gz FBJWOUCRCJPMFZ-UHFFFAOYSA-N -1 0 374.396 4.812 50 0 FJAARM Cc1c(Cl)ccc2c1ncc(C(=O)[O-])c2Nc1ccc(N(C)C)cc1 ZINC000019793888 220296324 /nfs/dbraw/zinc/29/63/24/220296324.db2.gz WGGLDFMZAQKPKT-UHFFFAOYSA-N -1 0 355.825 4.704 50 0 FJAARM O=C([O-])Cc1sc(Nc2ccc(Cl)cc2)nc1-c1cccs1 ZINC000001465691 210356875 /nfs/dbraw/zinc/35/68/75/210356875.db2.gz VTYLAPPZMSIUIZ-UHFFFAOYSA-N -1 0 350.852 4.896 50 0 FJAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1cc(Cl)ccc1Cl ZINC000001142705 210324627 /nfs/dbraw/zinc/32/46/27/210324627.db2.gz SDHLBVQQNWPWPR-UHFFFAOYSA-N -1 0 352.242 4.947 50 0 FJAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000001111831 210317518 /nfs/dbraw/zinc/31/75/18/210317518.db2.gz BTZDXKMMGPBSHQ-UHFFFAOYSA-N -1 0 353.871 4.581 50 0 FJAARM Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000000990692 210298841 /nfs/dbraw/zinc/29/88/41/210298841.db2.gz OPLVUCABQYYYSV-MOPGFXCFSA-N -1 0 353.418 4.617 50 0 FJAARM Cc1nc2cc(C)ccn2c1-c1csc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000000853345 210281107 /nfs/dbraw/zinc/28/11/07/210281107.db2.gz LMRAROLRVQXMNL-UHFFFAOYSA-N -1 0 364.430 4.516 50 0 FJAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000096171070 222067529 /nfs/dbraw/zinc/06/75/29/222067529.db2.gz HEKLTTUSJMSHHA-UHFFFAOYSA-N -1 0 372.259 4.512 50 0 FJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)N(O)c1ccccc1 ZINC000100915444 222256135 /nfs/dbraw/zinc/25/61/35/222256135.db2.gz YAMYXDXWQAYIBN-FGZHOGPDSA-N -1 0 371.440 4.662 50 0 FJAARM O=C(CSC(=S)[N-]Nc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000001031423 263142134 /nfs/dbraw/zinc/14/21/34/263142134.db2.gz WMKGUAVDGARWMI-UHFFFAOYSA-N -1 0 371.314 4.811 50 0 FJAARM COc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000252498913 518158317 /nfs/dbraw/zinc/15/83/17/518158317.db2.gz RQCRTUAQXGWDSC-UHFFFAOYSA-N -1 0 369.442 4.597 50 0 FJAARM O=[P@@]1([O-])[C@H](c2ccccc2)O[C@@H](c2ccccc2)O[C@@H]1c1ccccc1 ZINC000239235420 527417673 /nfs/dbraw/zinc/41/76/73/527417673.db2.gz VXTLIEBHUAJBHQ-MZADTFQBSA-N -1 0 366.353 5.400 50 0 FJAARM COc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1 ZINC000000681769 570448864 /nfs/dbraw/zinc/44/88/64/570448864.db2.gz OIEVJPVQKZGMIA-UHFFFAOYSA-N -1 0 372.218 4.680 50 0 FJAARM Cc1ccc2c(c1)-c1ncc(C(=O)c3cc(Cl)ccc3[O-])cc1CO2 ZINC000000990118 570468699 /nfs/dbraw/zinc/46/86/99/570468699.db2.gz FNDHRJUMCBHOSM-UHFFFAOYSA-N -1 0 351.789 4.539 50 0 FJAARM O=C([O-])c1ccccc1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001036042 570473687 /nfs/dbraw/zinc/47/36/87/570473687.db2.gz UQIQATUQTRCGCT-UHFFFAOYSA-N -1 0 362.225 4.653 50 0 FJAARM COc1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)cc1OC ZINC000002526074 570524019 /nfs/dbraw/zinc/52/40/19/570524019.db2.gz ZVGWEKOTIWXUOV-UHFFFAOYSA-N -1 0 357.793 4.579 50 0 FJAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1)oc1ccccc12 ZINC000003661948 570567210 /nfs/dbraw/zinc/56/72/10/570567210.db2.gz QADDIITVKZLKJF-UHFFFAOYSA-N -1 0 371.389 4.535 50 0 FJAARM Cc1ccc(-c2csc(NC(=O)c3ccccc3F)c2C(=O)[O-])cc1 ZINC000004805649 570607019 /nfs/dbraw/zinc/60/70/19/570607019.db2.gz IWFUQJPZKSSGRJ-UHFFFAOYSA-N -1 0 355.390 4.813 50 0 FJAARM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000005976790 570639692 /nfs/dbraw/zinc/63/96/92/570639692.db2.gz ITCIZCQORMXLRS-UHFFFAOYSA-N -1 0 368.296 4.547 50 0 FJAARM CC[C@H](C)c1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)on1 ZINC000155321382 570699616 /nfs/dbraw/zinc/69/96/16/570699616.db2.gz RYQJJYFWMZPQCY-VIFPVBQESA-N -1 0 362.842 4.612 50 0 FJAARM O=C([O-])c1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000011860423 570709914 /nfs/dbraw/zinc/70/99/14/570709914.db2.gz IHLFIVUFVCBOLW-UHFFFAOYSA-N -1 0 359.578 4.519 50 0 FJAARM Cc1cccc(Nc2nnc(SCc3cccc(C(=O)[O-])c3)s2)c1C ZINC000012632881 570754965 /nfs/dbraw/zinc/75/49/65/570754965.db2.gz NPXUZPOMROHAKM-UHFFFAOYSA-N -1 0 371.487 4.889 50 0 FJAARM COc1cc(C(=O)[O-])ccc1OCc1cc2ccc(C)c(C)c2nc1Cl ZINC000012800000 570763459 /nfs/dbraw/zinc/76/34/59/570763459.db2.gz YRCRSYXIJAXPRL-UHFFFAOYSA-N -1 0 371.820 4.791 50 0 FJAARM O=C(C(=C([O-])c1cccs1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100902306 570800299 /nfs/dbraw/zinc/80/02/99/570800299.db2.gz ZIARIILRRWXIKG-HSVOFOGUSA-N -1 0 356.409 4.895 50 0 FJAARM CC(C)c1ccc(Cn2c(=O)c3sc4ncccc4c3[n-]c2=S)cc1 ZINC000101968072 570825383 /nfs/dbraw/zinc/82/53/83/570825383.db2.gz YRUIBCLPLXGHFU-UHFFFAOYSA-N -1 0 367.499 4.840 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000015081540 570832478 /nfs/dbraw/zinc/83/24/78/570832478.db2.gz YYAWJCNIWKIEMJ-AWEZNQCLSA-N -1 0 367.401 4.727 50 0 FJAARM Cc1sc2[n-]c(=S)n(Cc3cccnc3)c(=O)c2c1-c1ccccc1 ZINC000017075121 570866933 /nfs/dbraw/zinc/86/69/33/570866933.db2.gz IYSQXSQTVJLYFV-UHFFFAOYSA-N -1 0 365.483 4.539 50 0 FJAARM O=C([O-])C/C(=C\c1ccc(Br)s1)c1nc2ccccc2o1 ZINC000005798251 570967137 /nfs/dbraw/zinc/96/71/37/570967137.db2.gz XQKNOYKSDOOKGI-VQHVLOKHSA-N -1 0 364.220 4.667 50 0 FJAARM CCC(C(=O)CCCC(=O)Nc1c(C)cccc1C)=C([O-])c1ccccc1 ZINC000025574354 570997276 /nfs/dbraw/zinc/99/72/76/570997276.db2.gz NBCQWTOYNKVSRQ-IBGZPJMESA-N -1 0 365.473 4.890 50 0 FJAARM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1ccc(F)cc1Cl ZINC000028260366 571028743 /nfs/dbraw/zinc/02/87/43/571028743.db2.gz XWDFQLHMYHNMGP-UHFFFAOYSA-N -1 0 369.845 4.601 50 0 FJAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000029011173 571035909 /nfs/dbraw/zinc/03/59/09/571035909.db2.gz WYSGDFZWHGIUMV-UHFFFAOYSA-N -1 0 361.825 4.962 50 0 FJAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1cccc(Cl)c1 ZINC000031773418 571055634 /nfs/dbraw/zinc/05/56/34/571055634.db2.gz NUOJGQBOKSHSAQ-UHFFFAOYSA-N -1 0 356.683 4.963 50 0 FJAARM O=P1([O-])Oc2ccc3c(c2-c2c(ccc4c2CCCC4)O1)CCCC3 ZINC000034008363 571067359 /nfs/dbraw/zinc/06/73/59/571067359.db2.gz HCTOYKLUBVCMFH-UHFFFAOYSA-N -1 0 356.358 4.983 50 0 FJAARM Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)SCc1ccc(C(=O)[O-])cc1 ZINC000012778941 571097297 /nfs/dbraw/zinc/09/72/97/571097297.db2.gz NPGWTVVKTYRJTD-CYBMUJFWSA-N -1 0 353.443 4.679 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3ccc(C(C)C)cc3)c2=O)c1-c1ccccc1 ZINC000239212583 571107592 /nfs/dbraw/zinc/10/75/92/571107592.db2.gz SZMCQRZXWVSEDH-UHFFFAOYSA-N -1 0 371.484 5.433 50 0 FJAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)[O-])CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000247660944 571125616 /nfs/dbraw/zinc/12/56/16/571125616.db2.gz SCNWNOJSZNDWCA-YYCOIEBYSA-N -1 0 362.510 4.662 50 0 FJAARM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)s1 ZINC000005985641 571170050 /nfs/dbraw/zinc/17/00/50/571170050.db2.gz DBKKQPVOOASONP-UHFFFAOYSA-N -1 0 365.863 4.995 50 0 FJAARM Cc1ccc2[n-]cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(=O)c2c1 ZINC000035592668 571182791 /nfs/dbraw/zinc/18/27/91/571182791.db2.gz IPRXBUPFHHCFBZ-UHFFFAOYSA-N -1 0 371.318 4.572 50 0 FJAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414292 571192368 /nfs/dbraw/zinc/19/23/68/571192368.db2.gz RYQBZFNLCYDQPR-UHFFFAOYSA-N -1 0 370.474 4.558 50 0 FJAARM O=C([O-])c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000007604033 571194981 /nfs/dbraw/zinc/19/49/81/571194981.db2.gz WIQUIDSIHXDBHM-UHFFFAOYSA-N -1 0 357.203 4.880 50 0 FJAARM Oc1ccc2ccccc2c1-c1nc2ncccn2c1Nc1ccccc1 ZINC000004734136 571227163 /nfs/dbraw/zinc/22/71/63/571227163.db2.gz BOPCXBJVQHBIGA-UHFFFAOYSA-N -1 0 352.397 4.999 50 0 FJAARM O=C(NCc1ccc(Cl)cc1Cl)c1cc(Cl)c([O-])c(Cl)c1 ZINC000006997401 571256767 /nfs/dbraw/zinc/25/67/67/571256767.db2.gz KOVIVLQGELFERZ-UHFFFAOYSA-N -1 0 365.043 4.936 50 0 FJAARM COc1cc(C(C)=NNc2ccccc2C(=O)[O-])ccc1SC(F)F ZINC000252673086 571265345 /nfs/dbraw/zinc/26/53/45/571265345.db2.gz QXKUGNSMUUBSEA-UHFFFAOYSA-N -1 0 366.389 4.544 50 0 FJAARM Cc1cc2oc(=O)c(CC(=O)[O-])c(C)c2c2occ(-c3ccc(F)cc3)c21 ZINC000002125242 571278728 /nfs/dbraw/zinc/27/87/28/571278728.db2.gz 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ZINC000001405125 210075190 /nfs/dbraw/zinc/07/51/90/210075190.db2.gz MDLPSWQUYRKTPI-UHFFFAOYSA-N -1 0 365.389 4.500 50 0 FJAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2C(=O)[O-])cc1 ZINC000004012741 219533701 /nfs/dbraw/zinc/53/37/01/219533701.db2.gz DWFYXILMWNVSHQ-JOCHJYFZSA-N -1 0 372.424 4.749 50 0 FJAARM CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000064820570 212045622 /nfs/dbraw/zinc/04/56/22/212045622.db2.gz JSLCXSZLTDZXJQ-UHFFFAOYSA-N -1 0 374.506 4.817 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1Cl)NC(=O)C[C@H]2c1ccco1 ZINC000061719224 212025806 /nfs/dbraw/zinc/02/58/06/212025806.db2.gz NZAYMFVFTKXHNX-JTQLQIEISA-N -1 0 373.817 4.834 50 0 FJAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C ZINC000002886564 204066136 /nfs/dbraw/zinc/06/61/36/204066136.db2.gz VHHLOVKDCBJKDY-UHFFFAOYSA-N -1 0 369.442 4.597 50 0 FJAARM COc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)[O-])cc1 ZINC000002955994 204070238 /nfs/dbraw/zinc/07/02/38/204070238.db2.gz RGLRLYSWAHNUMP-UHFFFAOYSA-N -1 0 359.834 4.766 50 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204164151 /nfs/dbraw/zinc/16/41/51/204164151.db2.gz ADIDPIZLSLBACM-UHFFFAOYSA-N -1 0 368.458 4.793 50 0 FJAARM CCc1cc2c(cc1[O-])oc(C)c(-c1nnc(-c3ccccc3)s1)c2=O ZINC000008482274 204332826 /nfs/dbraw/zinc/33/28/26/204332826.db2.gz XRXNHNGOHPQLND-UHFFFAOYSA-N -1 0 364.426 4.555 50 0 FJAARM C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000008720901 204341145 /nfs/dbraw/zinc/34/11/45/204341145.db2.gz XGGYNOALMDYQAQ-BTYIYWSLSA-N -1 0 372.424 4.713 50 0 FJAARM Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012852062 220035779 /nfs/dbraw/zinc/03/57/79/220035779.db2.gz AGIBNQKBXNHPPP-QPJJXVBHSA-N -1 0 370.455 4.530 50 0 FJAARM CCC(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000058356434 205271779 /nfs/dbraw/zinc/27/17/79/205271779.db2.gz SWGPREUDIHWWHN-UHFFFAOYSA-N -1 0 352.415 4.524 50 0 FJAARM Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795250 205305981 /nfs/dbraw/zinc/30/59/81/205305981.db2.gz WTKMWQKJYWZPQQ-OAHLLOKOSA-N -1 0 363.438 4.896 50 0 FJAARM O=C([O-])c1cc(/C=C\c2cccc(Br)c2)nc2ccccc21 ZINC000096791960 205881364 /nfs/dbraw/zinc/88/13/64/205881364.db2.gz QMXISLXPOBXWQW-HJWRWDBZSA-N -1 0 354.203 4.866 50 0 FJAARM CCCCc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000002645199 206155378 /nfs/dbraw/zinc/15/53/78/206155378.db2.gz SBYANGWDUSQZEB-UHFFFAOYSA-N -1 0 357.397 4.849 50 0 FJAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000170591285 206269504 /nfs/dbraw/zinc/26/95/04/206269504.db2.gz GULXEYVMEVZLMY-DYVFJYSZSA-N -1 0 366.244 4.805 50 0 FJAARM O=C([O-])c1cccnc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013091466 206299306 /nfs/dbraw/zinc/29/93/06/206299306.db2.gz WTGKPTIRRUWSLG-UHFFFAOYSA-N -1 0 351.202 4.610 50 0 FJAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1C ZINC000016101060 206318783 /nfs/dbraw/zinc/31/87/83/206318783.db2.gz GSHHYXSYGDLDEB-UHFFFAOYSA-N -1 0 363.788 4.776 50 0 FJAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccc(Cl)cc1)CCCC3 ZINC000017074688 206322019 /nfs/dbraw/zinc/32/20/19/206322019.db2.gz 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210310761 /nfs/dbraw/zinc/31/07/61/210310761.db2.gz HSDCGYROCAHZNU-UHFFFAOYSA-N -1 0 370.202 4.553 50 0 FJAARM O=C([O-])c1ccc(Oc2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000000912884 210289995 /nfs/dbraw/zinc/28/99/95/210289995.db2.gz YZSJXZUWIZNQKG-UHFFFAOYSA-N -1 0 351.333 4.569 50 0 FJAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2Cl)C1 ZINC000064820268 136133883 /nfs/dbraw/zinc/13/38/83/136133883.db2.gz GUEVCZQUWKQFJS-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000096171087 222067680 /nfs/dbraw/zinc/06/76/80/222067680.db2.gz HBLWMYSZSKTOGZ-UHFFFAOYSA-N -1 0 372.259 4.512 50 0 FJAARM O=C([O-])C/C(=C/c1cnn2ccccc12)c1nc2cc(Cl)ccc2s1 ZINC000097840723 222216472 /nfs/dbraw/zinc/21/64/72/222216472.db2.gz QOVLQOCLSQUSKT-XFFZJAGNSA-N -1 0 369.833 4.613 50 0 FJAARM COc1cc2c(C(=O)[O-])c(C)n(-c3ccc(N(C)C)cc3)c2c2ccccc12 ZINC000001000343 570470294 /nfs/dbraw/zinc/47/02/94/570470294.db2.gz LJFZSEKFFURATH-UHFFFAOYSA-N -1 0 374.440 4.865 50 0 FJAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c(Cl)c1Cl ZINC000001127393 570482091 /nfs/dbraw/zinc/48/20/91/570482091.db2.gz BRGORKPWDUZFSF-UHFFFAOYSA-N -1 0 374.289 4.926 50 0 FJAARM CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000011613723 570483390 /nfs/dbraw/zinc/48/33/90/570483390.db2.gz XYVBPRVACUKRSD-UHFFFAOYSA-N -1 0 374.289 4.810 50 0 FJAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000001159060 570485699 /nfs/dbraw/zinc/48/56/99/570485699.db2.gz WFVOAKIQOLEPRV-UHFFFAOYSA-N -1 0 369.286 4.525 50 0 FJAARM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1cccc2cccnc21 ZINC000002840922 570535677 /nfs/dbraw/zinc/53/56/77/570535677.db2.gz USABHGCWAHHONW-UHFFFAOYSA-N -1 0 360.438 4.703 50 0 FJAARM Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1n[nH]c(-c2cccs2)n1 ZINC000005017612 570575405 /nfs/dbraw/zinc/57/54/05/570575405.db2.gz BATNOXOVLRQUJW-NSHDSACASA-N -1 0 368.487 4.686 50 0 FJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)N(O)c1ccccc1 ZINC000005306467 570646464 /nfs/dbraw/zinc/64/64/64/570646464.db2.gz YAMYXDXWQAYIBN-FCHUYYIVSA-N -1 0 371.440 4.662 50 0 FJAARM O=c1c2c(-c3ccc(F)cc3)csc2[n-]c(=S)n1Cc1ccccc1 ZINC000006537749 570648905 /nfs/dbraw/zinc/64/89/05/570648905.db2.gz GIBMOLJCTBTRSX-UHFFFAOYSA-N -1 0 368.458 4.975 50 0 FJAARM Cc1ccccc1NC(=O)c1c(C)nc([N-]c2nc3ccccc3o2)nc1C ZINC000009111529 570691688 /nfs/dbraw/zinc/69/16/88/570691688.db2.gz XRTQGEJABBSWEL-UHFFFAOYSA-N -1 0 373.416 4.539 50 0 FJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1F ZINC000012396033 570741768 /nfs/dbraw/zinc/74/17/68/570741768.db2.gz QZAMKDCRKAKREG-UHFFFAOYSA-N -1 0 367.767 4.578 50 0 FJAARM COc1cc(/C=C/C(=O)[O-])c(Cl)cc1OCc1ccccc1Cl ZINC000012394620 570741947 /nfs/dbraw/zinc/74/19/47/570741947.db2.gz ABGRTTPDQCERDW-VOTSOKGWSA-N -1 0 353.201 4.679 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3ccc(Cl)cc3)c2=O)c1-c1ccccc1 ZINC000018222803 570877136 /nfs/dbraw/zinc/87/71/36/570877136.db2.gz BAKHQKXTQDHWFQ-UHFFFAOYSA-N -1 0 363.848 4.551 50 0 FJAARM COc1ccccc1-n1c(C)c(C(=O)[O-])c2cc(OC)c3ccccc3c21 ZINC000001000341 570878829 /nfs/dbraw/zinc/87/88/29/570878829.db2.gz IQBONHKOCWEXPI-UHFFFAOYSA-N -1 0 361.397 4.808 50 0 FJAARM CCCCN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053307 570921940 /nfs/dbraw/zinc/92/19/40/570921940.db2.gz BXYBNSUAAALMBG-UHFFFAOYSA-N -1 0 360.841 4.527 50 0 FJAARM CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4CC[C@H](C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000048547305 570955225 /nfs/dbraw/zinc/95/52/25/570955225.db2.gz WVHKCBDRQIXZLC-CSLSONBHSA-N -1 0 360.494 4.582 50 0 FJAARM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc([O-])c(Cl)c1 ZINC000024248098 570973457 /nfs/dbraw/zinc/97/34/57/570973457.db2.gz ZSDQORMWBIUUDF-CYBMUJFWSA-N -1 0 354.258 4.666 50 0 FJAARM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc([O-])c(Cl)c1 ZINC000025618187 570998053 /nfs/dbraw/zinc/99/80/53/570998053.db2.gz MXFMUBWKIKAMBT-KRWDZBQOSA-N -1 0 361.825 4.766 50 0 FJAARM Cc1ccccc1-n1nc(-c2cc(F)c(Cl)cc2Cl)cc1C(=O)[O-] ZINC000025781566 571000712 /nfs/dbraw/zinc/00/07/12/571000712.db2.gz DHMJUYTVKYFAKF-UHFFFAOYSA-N -1 0 365.191 4.992 50 0 FJAARM C[C@@H](c1ccc(OC(F)(F)F)cc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000027223459 571011214 /nfs/dbraw/zinc/01/12/14/571011214.db2.gz BMQZEUIFRAIKIG-JTQLQIEISA-N -1 0 366.364 4.567 50 0 FJAARM CCCCCSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)[O-] ZINC000008625456 571053477 /nfs/dbraw/zinc/05/34/77/571053477.db2.gz UFRCNEUWFIMYHS-UHFFFAOYSA-N -1 0 368.458 4.705 50 0 FJAARM CCCC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000032099058 571056617 /nfs/dbraw/zinc/05/66/17/571056617.db2.gz JLQPLDXCKOKHOY-OAHLLOKOSA-N -1 0 367.445 4.559 50 0 FJAARM Cc1[nH]c2ccccc2c1C(=O)[C@H](C)SCc1ccc(C(=O)[O-])cc1 ZINC000012778945 571097570 /nfs/dbraw/zinc/09/75/70/571097570.db2.gz NPGWTVVKTYRJTD-ZDUSSCGKSA-N -1 0 353.443 4.679 50 0 FJAARM CCOc1ccccc1Nc1nc(-c2ccc(C)cc2)c(CC(=O)[O-])s1 ZINC000003648137 571120834 /nfs/dbraw/zinc/12/08/34/571120834.db2.gz RSVBLIVEUYZEGE-UHFFFAOYSA-N -1 0 368.458 4.888 50 0 aggregator FJAARM CC1CCN(c2ccc(NC(=O)c3ccccc3Cl)c(C(=O)[O-])c2)CC1 ZINC000035482634 571175543 /nfs/dbraw/zinc/17/55/43/571175543.db2.gz ZTHFJWDHKKMCEW-UHFFFAOYSA-N -1 0 372.852 4.527 50 0 FJAARM Cc1nn(-c2ccc(Cl)cc2)c2nc(-c3cccs3)cc(C(=O)[O-])c12 ZINC000003298703 571179454 /nfs/dbraw/zinc/17/94/54/571179454.db2.gz CHGOIJWJFWHQIB-UHFFFAOYSA-N -1 0 369.833 4.809 50 0 FJAARM COc1cc(C(C)=NNc2cccc(C(=O)[O-])c2)ccc1SC(F)F ZINC000252475276 571202077 /nfs/dbraw/zinc/20/20/77/571202077.db2.gz XMFJPWONIOJSHO-UHFFFAOYSA-N -1 0 366.389 4.544 50 0 FJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c(C)c1 ZINC000065004096 571250218 /nfs/dbraw/zinc/25/02/18/571250218.db2.gz SVSRFUFYMQOAMP-UHFFFAOYSA-N -1 0 374.487 4.698 50 0 FJAARM O=C([O-])c1ccc(Nc2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000170621816 571268761 /nfs/dbraw/zinc/26/87/61/571268761.db2.gz OKKFHGQKTNGZNT-UHFFFAOYSA-N -1 0 374.322 4.681 50 0 FJAARM Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000095453040 571329956 /nfs/dbraw/zinc/32/99/56/571329956.db2.gz KCLVGPOSJDMHGS-UHFFFAOYSA-N -1 0 352.217 4.609 50 0 FJAARM Cc1ccc2cc(-c3ccc(NC(=O)[C@@H]4C[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000004105081 571355294 /nfs/dbraw/zinc/35/52/94/571355294.db2.gz MCNSRPRNSBNEIF-CVEARBPZSA-N -1 0 351.427 4.536 50 0 FJAARM COc1cccc2sc([N-]c3nc4ccc(NC(C)=O)cc4s3)nc21 ZINC000004121610 571355783 /nfs/dbraw/zinc/35/57/83/571355783.db2.gz POMUQRAYCOZYGL-UHFFFAOYSA-N -1 0 370.459 4.617 50 0 FJAARM O=C([O-])c1cc(/C=C\c2csc(-c3ccccn3)n2)nc2ccccc21 ZINC000044024294 210188013 /nfs/dbraw/zinc/18/80/13/210188013.db2.gz BNRIWRASFXSGBM-HJWRWDBZSA-N -1 0 359.410 4.622 50 0 FJAARM COC(=O)c1sccc1NC(=O)c1sc2ccccc2c1Cl ZINC000000759473 219319821 /nfs/dbraw/zinc/31/98/21/219319821.db2.gz FMCBYADCCGCMTF-UHFFFAOYSA-N -1 0 351.836 4.655 50 0 FJAARM Cc1ccc2oc(-c3ccc(C(C)(C)C)cc3)c(OCC(=O)[O-])c(=O)c2c1 ZINC000001941889 219423370 /nfs/dbraw/zinc/42/33/70/219423370.db2.gz VOGGFJCRAUOHKR-UHFFFAOYSA-N -1 0 366.413 4.529 50 0 FJAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820738 212045778 /nfs/dbraw/zinc/04/57/78/212045778.db2.gz NRZCENFQWICZRC-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl ZINC000064820264 212045516 /nfs/dbraw/zinc/04/55/16/212045516.db2.gz BCKZXEKEFJODGT-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM O=C([O-])Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002386089 204036937 /nfs/dbraw/zinc/03/69/37/204036937.db2.gz YRZJNRXNEUSRLW-UHFFFAOYSA-N -1 0 373.408 4.675 50 0 FJAARM Cc1oc2cc3oc(=O)c(CCC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002140354 204027743 /nfs/dbraw/zinc/02/77/43/204027743.db2.gz FSBPSGLXPOSHDW-UHFFFAOYSA-N -1 0 362.381 4.840 50 0 FJAARM CCCCc1c(C)nc2ccc(Br)cc2c1SCC(=O)[O-] ZINC000002285543 204032051 /nfs/dbraw/zinc/03/20/51/204032051.db2.gz UNILYPMGIAVTEZ-UHFFFAOYSA-N -1 0 368.296 4.825 50 0 FJAARM Cc1cccc2c1nc(-c1ccc(Br)cc1)c(C)c2C(=O)[O-] ZINC000002792878 204057832 /nfs/dbraw/zinc/05/78/32/204057832.db2.gz GPQUAGRNEOCAJA-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)SCc1ccc(Cl)cc1 ZINC000004118452 204122045 /nfs/dbraw/zinc/12/20/45/204122045.db2.gz PGWIGYLPUIXBGD-INIZCTEOSA-N -1 0 369.269 4.953 50 0 FJAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(C(=O)[O-])cc2)cc1 ZINC000004532226 204144579 /nfs/dbraw/zinc/14/45/79/204144579.db2.gz JEJBPHYWZWXQDE-JOCHJYFZSA-N -1 0 372.424 4.749 50 0 FJAARM COc1ccccc1-c1nc(-c2ccc(C)cc2C)c(CC(=O)[O-])s1 ZINC000004551384 204145586 /nfs/dbraw/zinc/14/55/86/204145586.db2.gz XKMDLEZUJFUBIL-UHFFFAOYSA-N -1 0 353.443 4.730 50 0 FJAARM O=C([O-])c1cc(/C=C/c2cccc(Br)c2)nc2ccccc21 ZINC000005379562 204206669 /nfs/dbraw/zinc/20/66/69/204206669.db2.gz QMXISLXPOBXWQW-CMDGGOBGSA-N -1 0 354.203 4.866 50 0 FJAARM Cc1cc([O-])c(C(=O)c2cnc3c(c2)COc2ccccc2-3)cc1Cl ZINC000005534894 204212890 /nfs/dbraw/zinc/21/28/90/204212890.db2.gz JVAOVEOFBOAHTF-UHFFFAOYSA-N -1 0 351.789 4.539 50 0 FJAARM Cc1cc2oc(-c3ccccc3Cl)c(O[C@H](C)C(=O)[O-])c(=O)c2cc1C ZINC000005580118 204216299 /nfs/dbraw/zinc/21/62/99/204216299.db2.gz YSNGWXLFGHHFDO-GFCCVEGCSA-N -1 0 372.804 4.582 50 0 FJAARM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1ccccc1Cl ZINC000007057545 204288666 /nfs/dbraw/zinc/28/86/66/204288666.db2.gz LRHRSFDYLLUFKN-UHFFFAOYSA-N -1 0 357.862 4.732 50 0 FJAARM O=C([O-])Cc1sc(Nc2ccc(F)c(F)c2F)nc1-c1ccccc1 ZINC000006721530 204263400 /nfs/dbraw/zinc/26/34/00/204263400.db2.gz OULWNDAWPQZAMM-UHFFFAOYSA-N -1 0 364.348 4.598 50 0 FJAARM CCOc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)cc1Cl ZINC000008132494 204319579 /nfs/dbraw/zinc/31/95/79/204319579.db2.gz TTZOQNXFHBJBIH-UHFFFAOYSA-N -1 0 374.289 4.810 50 0 FJAARM Cc1nc2ccccn2c1-c1nnc([N-]c2ccc(Cl)cc2Cl)o1 ZINC000036646028 205020203 /nfs/dbraw/zinc/02/02/03/205020203.db2.gz KBLZYBIJMZUJPW-UHFFFAOYSA-N -1 0 360.204 4.743 50 0 FJAARM CCCCN(CC)c1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000046053475 211832164 /nfs/dbraw/zinc/83/21/64/211832164.db2.gz FAXSRASFFUIONI-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM CCCC(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000058356425 205272154 /nfs/dbraw/zinc/27/21/54/205272154.db2.gz XHUCVCKHNGFPEC-UHFFFAOYSA-N -1 0 366.442 4.914 50 0 FJAARM Cc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795240 205305579 /nfs/dbraw/zinc/30/55/79/205305579.db2.gz XIOZILNKNXXFCM-HNNXBMFYSA-N -1 0 363.438 4.896 50 0 FJAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 ZINC000064820473 205305967 /nfs/dbraw/zinc/30/59/67/205305967.db2.gz NOIZRZPTEPBSIA-UHFFFAOYSA-N -1 0 374.440 4.582 50 0 FJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1C ZINC000065004105 205314759 /nfs/dbraw/zinc/31/47/59/205314759.db2.gz VTXBZCMZGRXREJ-UHFFFAOYSA-N -1 0 374.487 4.698 50 0 FJAARM CCc1ccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)cc1 ZINC000006709927 206242786 /nfs/dbraw/zinc/24/27/86/206242786.db2.gz KKSCXXKGWCWWJY-UHFFFAOYSA-N -1 0 356.219 4.925 50 0 FJAARM CSc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000008429611 206247624 /nfs/dbraw/zinc/24/76/24/206247624.db2.gz ISFNTFLHAIGLOF-UHFFFAOYSA-N -1 0 356.230 4.666 50 0 FJAARM CC[Si](CC)(CC)c1cc(C(=O)[O-])c(F)c([Si](CC)(CC)CC)c1 ZINC000219788994 206390855 /nfs/dbraw/zinc/39/08/55/206390855.db2.gz FOESVMNOXHKULF-UHFFFAOYSA-N -1 0 368.641 4.955 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cccs1 ZINC000015082155 211120747 /nfs/dbraw/zinc/12/07/47/211120747.db2.gz PRKBAVPDRQODDQ-NSHDSACASA-N -1 0 373.430 4.788 50 0 FJAARM S=c1[n-]nc(Cc2sc(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000013143973 211026313 /nfs/dbraw/zinc/02/63/13/211026313.db2.gz HAYFWPDMMKMCKK-UHFFFAOYSA-N -1 0 351.456 4.740 50 0 FJAARM O=C([O-])c1sccc1Oc1ccccc1NC(=O)c1ccccc1F ZINC000012959068 211012403 /nfs/dbraw/zinc/01/24/03/211012403.db2.gz DPMXJCXLTGHXFC-UHFFFAOYSA-N -1 0 357.362 4.630 50 0 FJAARM CCn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1cccc(Cl)c1 ZINC000004699454 210553690 /nfs/dbraw/zinc/55/36/90/210553690.db2.gz VWUOHJDSTXMVRB-UHFFFAOYSA-N -1 0 373.865 4.609 50 0 FJAARM CCCC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002530033 210404843 /nfs/dbraw/zinc/40/48/43/210404843.db2.gz JLQPLDXCKOKHOY-HNNXBMFYSA-N -1 0 367.445 4.559 50 0 FJAARM CC(C)C[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002271927 210389175 /nfs/dbraw/zinc/38/91/75/210389175.db2.gz PVRGUGDRQFLDMQ-DZGCQCFKSA-N -1 0 360.479 4.522 50 0 FJAARM COc1cccc(-c2nc3ccccc3c(Nc3ccc(F)cc3)n2)c1[O-] ZINC000002257970 210387522 /nfs/dbraw/zinc/38/75/22/210387522.db2.gz BSTFDXJAAZJVEW-UHFFFAOYSA-N -1 0 361.376 4.894 50 0 FJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002214911 210384832 /nfs/dbraw/zinc/38/48/32/210384832.db2.gz ZDZYMZOUYRPVDT-UHFFFAOYSA-N -1 0 366.344 4.671 50 0 FJAARM Cc1oc2c(c1-c1ccccc1)c(C)cc1oc(=O)c(CC(=O)[O-])c(C)c21 ZINC000002123204 210380269 /nfs/dbraw/zinc/38/02/69/210380269.db2.gz YNPVAIAZJYNCBO-UHFFFAOYSA-N -1 0 362.381 4.759 50 0 FJAARM Cc1cc2oc(-c3ccc(Cl)cc3)c/c(=N\CCC(=O)[O-])c2cc1C ZINC000019793970 220295759 /nfs/dbraw/zinc/29/57/59/220295759.db2.gz BWJPVBLLHXHADM-OQKWZONESA-N -1 0 355.821 4.745 50 0 FJAARM O=C([O-])/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000001728979 210367934 /nfs/dbraw/zinc/36/79/34/210367934.db2.gz HXUKHSXNXWMNGH-WYMLVPIESA-N -1 0 360.409 4.942 50 0 FJAARM Cc1ccc(C)c(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000001162317 210328157 /nfs/dbraw/zinc/32/81/57/210328157.db2.gz TWFOBDCWQWVNLL-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)[C@H](C(=O)[O-])C1 ZINC000000971759 210297945 /nfs/dbraw/zinc/29/79/45/210297945.db2.gz MBSZQOGOVMXQJX-QZTJIDSGSA-N -1 0 363.413 4.972 50 0 FJAARM CC1=C(C)C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)[C@@H](C(=O)[O-])C1 ZINC000000971760 210297591 /nfs/dbraw/zinc/29/75/91/210297591.db2.gz MBSZQOGOVMXQJX-ROUUACIJSA-N -1 0 363.413 4.972 50 0 FJAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])C1 ZINC000046053453 136121980 /nfs/dbraw/zinc/12/19/80/136121980.db2.gz GUCLKYBXQXHRKR-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000253501673 519757126 /nfs/dbraw/zinc/75/71/26/519757126.db2.gz WVHKCBDRQIXZLC-JCNKSZRGSA-N -1 0 360.494 4.582 50 0 FJAARM O=C1CC[C@@H](c2ccccc2)C(=O)C1=C([O-])c1ccc(Cl)cc1Cl ZINC000001038591 570474063 /nfs/dbraw/zinc/47/40/63/570474063.db2.gz IGEOSXNEZHLFIR-SUMWQHHRSA-N -1 0 361.224 4.508 50 0 FJAARM COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000001144871 570484070 /nfs/dbraw/zinc/48/40/70/570484070.db2.gz ZECCREJMRODVBG-UHFFFAOYSA-N -1 0 369.442 4.597 50 0 FJAARM CC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000001230335 570495774 /nfs/dbraw/zinc/49/57/74/570495774.db2.gz OWCACJYJLUDMEL-UHFFFAOYSA-N -1 0 359.381 4.507 50 0 FJAARM CCCCCc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1 ZINC000002500299 570522826 /nfs/dbraw/zinc/52/28/26/570522826.db2.gz GUWUPXMKJYXBRJ-UHFFFAOYSA-N -1 0 354.475 4.768 50 0 FJAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000003309454 570558751 /nfs/dbraw/zinc/55/87/51/570558751.db2.gz MWLVHEZKGZGZQK-UHFFFAOYSA-N -1 0 359.834 4.933 50 0 FJAARM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(C)=O)C(=O)[O-] ZINC000003871370 570569797 /nfs/dbraw/zinc/56/97/97/570569797.db2.gz XTURYZYJYQRJDO-BNAHBJSTSA-N -1 0 367.555 4.728 50 0 in-vivo FJAARM CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3s2)c(O)cc1O ZINC000005013091 570574964 /nfs/dbraw/zinc/57/49/64/570574964.db2.gz DQGTXSGJJUMZCR-UHFFFAOYSA-N -1 0 351.431 4.635 50 0 FJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000004163129 570579357 /nfs/dbraw/zinc/57/93/57/570579357.db2.gz PXLOOYFRPQPLNL-ZWKOTPCHSA-N -1 0 373.836 4.962 50 0 FJAARM O=C([O-])c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000004813498 570607969 /nfs/dbraw/zinc/60/79/69/570607969.db2.gz CDIIDCKTLSEYTO-UHFFFAOYSA-N -1 0 370.257 4.564 50 0 FJAARM Cc1ccc(-c2csc(-n3nc(C(=O)[O-])cc3-c3ccccc3)n2)cc1 ZINC000005274676 570645817 /nfs/dbraw/zinc/64/58/17/570645817.db2.gz OBFGIJTXPVDWPH-UHFFFAOYSA-N -1 0 361.426 4.669 50 0 FJAARM O=C([O-])/C=C\c1cc(Br)ccc1OCc1ccccc1Cl ZINC000011956060 570713127 /nfs/dbraw/zinc/71/31/27/570713127.db2.gz UCLQVZPKJSEHLG-YVMONPNESA-N -1 0 367.626 4.779 50 0 FJAARM CCOc1ccc(-c2nc(Nc3ccccc3)sc2CC(=O)[O-])cc1 ZINC000002810362 570769148 /nfs/dbraw/zinc/76/91/48/570769148.db2.gz PEUPATUJBANYJU-UHFFFAOYSA-N -1 0 354.431 4.580 50 0 FJAARM O=C([O-])c1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 ZINC000003147818 570770234 /nfs/dbraw/zinc/77/02/34/570770234.db2.gz KYYHYSVFHATJBM-UHFFFAOYSA-N -1 0 367.213 4.554 50 0 FJAARM O=C(c1cc(Cl)c([O-])c(Cl)c1)N1CCC(c2ccccc2)CC1 ZINC000032786950 570799830 /nfs/dbraw/zinc/79/98/30/570799830.db2.gz YUNBDLLCXWVZJM-UHFFFAOYSA-N -1 0 350.245 4.719 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000015082265 570832674 /nfs/dbraw/zinc/83/26/74/570832674.db2.gz ALGTZIVRKUIJIA-CQSZACIVSA-N -1 0 365.410 4.943 50 0 FJAARM CCCCN(CC)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000046053480 570921851 /nfs/dbraw/zinc/92/18/51/570921851.db2.gz GWDXTSVEODVMBK-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc([O-])c(Cl)c1 ZINC000025618192 570998034 /nfs/dbraw/zinc/99/80/34/570998034.db2.gz MXFMUBWKIKAMBT-QGZVFWFLSA-N -1 0 361.825 4.766 50 0 FJAARM CCCCCOc1cc(C)ccc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000028252115 571028727 /nfs/dbraw/zinc/02/87/27/571028727.db2.gz PNAKWNAHVKXLLJ-UHFFFAOYSA-N -1 0 361.507 4.982 50 0 FJAARM CCCSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000008606692 571052409 /nfs/dbraw/zinc/05/24/09/571052409.db2.gz PVQIRCHVJRKQQJ-UHFFFAOYSA-N -1 0 372.515 4.720 50 0 FJAARM Cc1sc2[nH]c(-c3ccc([O-])c(Cl)c3)nc(=O)c2c1-c1ccccc1 ZINC000084026879 571066812 /nfs/dbraw/zinc/06/68/12/571066812.db2.gz FOINARQLUZLKPE-UHFFFAOYSA-N -1 0 368.845 4.986 50 0 FJAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1 ZINC000040451258 571091378 /nfs/dbraw/zinc/09/13/78/571091378.db2.gz MOKIYLJPWZICNR-KRWDZBQOSA-N -1 0 373.408 4.583 50 0 FJAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000244874145 571118252 /nfs/dbraw/zinc/11/82/52/571118252.db2.gz WVHKCBDRQIXZLC-SMYPBBOZSA-N -1 0 360.494 4.582 50 0 FJAARM CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000071279613 571121100 /nfs/dbraw/zinc/12/11/00/571121100.db2.gz ZWJBVUIZAGEFGH-AWEZNQCLSA-N -1 0 365.389 4.546 50 0 FJAARM Cc1onc(-c2ccc(Oc3ccc(Br)cc3)cc2)c1C(=O)[O-] ZINC000328578948 571121210 /nfs/dbraw/zinc/12/12/10/571121210.db2.gz BATAJGLQVSLNOH-UHFFFAOYSA-N -1 0 374.190 4.903 50 0 FJAARM O=C(c1cnc2c(c1)OCc1ccc(Cl)cc1-2)c1cc(Cl)ccc1[O-] ZINC000247852510 571125877 /nfs/dbraw/zinc/12/58/77/571125877.db2.gz HWUXNRYYGDNZLG-UHFFFAOYSA-N -1 0 372.207 4.884 50 0 FJAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)[O-])CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000253615021 571139554 /nfs/dbraw/zinc/13/95/54/571139554.db2.gz SCNWNOJSZNDWCA-NDSFQJIYSA-N -1 0 362.510 4.662 50 0 FJAARM CCOc1ccc(-c2csc(SCc3ccc(C(=O)[O-])o3)n2)cc1 ZINC000035587861 571182916 /nfs/dbraw/zinc/18/29/16/571182916.db2.gz DFAJFNOHAGEKNC-UHFFFAOYSA-N -1 0 361.444 4.792 50 0 FJAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)CCc1cccs1 ZINC000012600645 571189819 /nfs/dbraw/zinc/18/98/19/571189819.db2.gz RFGJEOKZENCZSP-UHFFFAOYSA-N -1 0 357.456 4.746 50 0 FJAARM CCCc1cc2c(cc1[O-])oc(CCC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000005904272 571204564 /nfs/dbraw/zinc/20/45/64/571204564.db2.gz QNTQBMLNNGJLCT-UHFFFAOYSA-N -1 0 366.413 4.799 50 0 FJAARM O=C([O-])c1ccc([C@@H]2CCN(c3ccc4cccc(Cl)c4n3)C2)cc1 ZINC000077538546 571215071 /nfs/dbraw/zinc/21/50/71/571215071.db2.gz DADZFPYCRMUXNQ-MRXNPFEDSA-N -1 0 352.821 4.580 50 0 FJAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2ccc(C)cc2)n1 ZINC000006749009 571244884 /nfs/dbraw/zinc/24/48/84/571244884.db2.gz SUOKABFBTXYJAC-UHFFFAOYSA-N -1 0 373.412 4.697 50 0 FJAARM Cc1cc(Br)ccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000006847358 571250540 /nfs/dbraw/zinc/25/05/40/571250540.db2.gz DIHOKHRMGHMZMS-UHFFFAOYSA-N -1 0 368.271 4.511 50 0 FJAARM COc1ccc(-n2c(=S)[n-]nc2[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000007275914 571263871 /nfs/dbraw/zinc/26/38/71/571263871.db2.gz QKLMFWKDGOWBSV-HZPDHXFCSA-N -1 0 357.866 4.863 50 0 FJAARM CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000071286487 571270017 /nfs/dbraw/zinc/27/00/17/571270017.db2.gz UUEBKYPCBGCVRL-INIZCTEOSA-N -1 0 371.462 4.678 50 0 FJAARM O=c1nc(Cc2ccc(O)cc2)[n-]c2cc(-c3cccc(Cl)c3)sc21 ZINC000089774685 571272991 /nfs/dbraw/zinc/27/29/91/571272991.db2.gz LPCWSKNZYUFCSW-UHFFFAOYSA-N -1 0 368.845 4.601 50 0 FJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2C)cc1 ZINC000000730159 210268211 /nfs/dbraw/zinc/26/82/11/210268211.db2.gz ZGCCOVUQSUVZAA-UHFFFAOYSA-N -1 0 369.442 4.597 50 0 FJAARM O=c1oc2cc([O-])ccc2cc1-c1csc(-c2ccc(Cl)cc2)n1 ZINC000000753322 210266790 /nfs/dbraw/zinc/26/67/90/210266790.db2.gz UDGBCKNUZXVPJS-UHFFFAOYSA-N -1 0 355.802 4.943 50 0 FJAARM O=C([O-])c1ccc(COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000000639735 210255070 /nfs/dbraw/zinc/25/50/70/210255070.db2.gz AMMOUBXEEHVLIF-UHFFFAOYSA-N -1 0 372.376 4.737 50 0 FJAARM COc1cccc(CNc2ccc(C(=O)[O-])cc2)c1OCc1ccccc1 ZINC000000679355 219312506 /nfs/dbraw/zinc/31/25/06/219312506.db2.gz YNLGVNVAALQADP-UHFFFAOYSA-N -1 0 363.413 4.585 50 0 FJAARM O=S(=O)([N-]c1nc2c(cccc2Cl)s1)c1ccc2ccccc2c1 ZINC000000682891 219313209 /nfs/dbraw/zinc/31/32/09/219313209.db2.gz QAYQIGKOGVVODE-UHFFFAOYSA-N -1 0 374.874 4.904 50 0 FJAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820589 212045766 /nfs/dbraw/zinc/04/57/66/212045766.db2.gz TYPCTNIOFAHVQT-UHFFFAOYSA-N -1 0 374.440 4.664 50 0 FJAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)cc1 ZINC000064820289 212045174 /nfs/dbraw/zinc/04/51/74/212045174.db2.gz VWBIWOYHYQLMFG-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000064820474 212045118 /nfs/dbraw/zinc/04/51/18/212045118.db2.gz MFCAPUZFQREPRP-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM CCOc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)ccc1OC ZINC000034859907 203886117 /nfs/dbraw/zinc/88/61/17/203886117.db2.gz QEFKKXACUZZJHN-UVTDQMKNSA-N -1 0 369.442 4.719 50 0 FJAARM Cc1oc2ccc(OCc3ccc(Br)cc3)cc2c1C(=O)[O-] ZINC000000639346 203916693 /nfs/dbraw/zinc/91/66/93/203916693.db2.gz NXYCLZDDICDAQU-UHFFFAOYSA-N -1 0 361.191 4.781 50 0 FJAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F ZINC000000953504 203966498 /nfs/dbraw/zinc/96/64/98/203966498.db2.gz MNJXVJBTBJYRML-UHFFFAOYSA-N -1 0 369.286 4.525 50 0 FJAARM COc1ccc(-n2c(C)c(C(=O)[O-])c3cc(OC)c4ccccc4c32)cc1 ZINC000001000342 203970696 /nfs/dbraw/zinc/97/06/96/203970696.db2.gz CVFZGYCMLWPZBE-UHFFFAOYSA-N -1 0 361.397 4.808 50 0 FJAARM COP(=O)(OC)Oc1c(Cl)c(Cl)c([O-])c(Cl)c1Cl ZINC000001689474 204017391 /nfs/dbraw/zinc/01/73/91/204017391.db2.gz GULABVPLILIUGO-UHFFFAOYSA-N -1 0 355.925 4.786 50 0 FJAARM CC[C@@H](Sc1ncnc2scc(-c3ccc(Cl)cc3)c21)C(=O)[O-] ZINC000001930629 204022897 /nfs/dbraw/zinc/02/28/97/204022897.db2.gz AKFZPPYDMOWNLB-GFCCVEGCSA-N -1 0 364.879 4.967 50 0 FJAARM O=c1oc2cc([O-])ccc2cc1-c1csc(-c2ccccc2Cl)n1 ZINC000002957577 204071525 /nfs/dbraw/zinc/07/15/25/204071525.db2.gz QFTHYXGEARVLBB-UHFFFAOYSA-N -1 0 355.802 4.943 50 0 FJAARM CSc1ccc(/C=C(/Sc2nnc(-c3ccccc3)o2)C(=O)[O-])cc1 ZINC000003378090 204097039 /nfs/dbraw/zinc/09/70/39/204097039.db2.gz IFHQFFIMNFPMBA-RVDMUPIBSA-N -1 0 370.455 4.676 50 0 FJAARM S=c1[n-]nc(CNc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000004619317 204150154 /nfs/dbraw/zinc/15/01/54/204150154.db2.gz XSPFUUGBCGSSHB-UHFFFAOYSA-N -1 0 351.262 4.849 50 0 FJAARM O=C([O-])c1ccccc1C(=O)O[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000004799880 204164222 /nfs/dbraw/zinc/16/42/22/204164222.db2.gz XPUDMIASEFZLDR-LJQANCHMSA-N -1 0 366.800 4.985 50 0 FJAARM Cc1nc(C(F)(F)F)c(C(=O)[O-])cc1-c1nc(-c2ccccc2)cs1 ZINC000004276654 204130412 /nfs/dbraw/zinc/13/04/12/204130412.db2.gz AXBBYZUKIKQBNR-UHFFFAOYSA-N -1 0 364.348 4.898 50 0 FJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000004550874 204145800 /nfs/dbraw/zinc/14/58/00/204145800.db2.gz ACFQUUKSVVTRLU-VQTJNVASSA-N -1 0 373.493 4.865 50 0 FJAARM O=C(NCCCSc1ccccc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000006875352 204277865 /nfs/dbraw/zinc/27/78/65/204277865.db2.gz BOCHAIODDYHGOS-UHFFFAOYSA-N -1 0 356.274 4.611 50 0 FJAARM O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[n-]c2c(F)ccc(F)c12 ZINC000008580447 204335520 /nfs/dbraw/zinc/33/55/20/204335520.db2.gz BJBXJUMCCZGGEJ-UHFFFAOYSA-N -1 0 360.669 4.541 50 0 FJAARM C/C(=C\C(=O)[O-])CC[C@H]1[C@](C)(OC=O)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000013410048 204530020 /nfs/dbraw/zinc/53/00/20/204530020.db2.gz RAPGMQQTEPEGFO-OBPDKVQSSA-N -1 0 350.499 4.972 50 0 FJAARM O=c1c2ccccc2[n-]c(=S)n1[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000058477827 212012310 /nfs/dbraw/zinc/01/23/10/212012310.db2.gz OPQSUJDSBXPIDB-MRXNPFEDSA-N -1 0 374.412 4.586 50 0 FJAARM Cc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)cc(C(=O)[O-])c2c1 ZINC000021715343 204758514 /nfs/dbraw/zinc/75/85/14/204758514.db2.gz YKPJHDIGELSOFK-UHFFFAOYSA-N -1 0 362.307 4.884 50 0 FJAARM Cc1cc([O-])c(C2=Nc3ccccc3N[C@@H](/C=C/c3ccccc3)C2)c(=O)o1 ZINC000036619602 205018493 /nfs/dbraw/zinc/01/84/93/205018493.db2.gz REPFMDKXWWMXTP-FLVLSHQESA-N -1 0 372.424 4.672 50 0 FJAARM O=C([O-])Cc1sc(-c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000071770895 205029206 /nfs/dbraw/zinc/02/92/06/205029206.db2.gz OWDCOKKAPKCHCR-UHFFFAOYSA-N -1 0 374.259 4.867 50 0 FJAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076742 205131195 /nfs/dbraw/zinc/13/11/95/205131195.db2.gz WMHLNKLKIUYZHK-CQSZACIVSA-N -1 0 367.401 4.727 50 0 FJAARM O=C([O-])c1cc(/C=C/c2cnc(-c3ccccc3)nc2)nc2ccccc21 ZINC000058344340 205271217 /nfs/dbraw/zinc/27/12/17/205271217.db2.gz KETFHIMGPUNMAW-ZHACJKMWSA-N -1 0 353.381 4.560 50 0 FJAARM CC(C)C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000063809033 205294034 /nfs/dbraw/zinc/29/40/34/205294034.db2.gz XJZPWIMXOMXHBO-INIZCTEOSA-N -1 0 367.474 4.515 50 0 FJAARM O=C([O-])C1(CC(=O)Nc2ccc3nc(C4CC4)sc3c2)CCCCC1 ZINC000063897955 205296364 /nfs/dbraw/zinc/29/63/64/205296364.db2.gz IQCVEUJEVSZDRW-UHFFFAOYSA-N -1 0 358.463 4.537 50 0 FJAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820747 205306655 /nfs/dbraw/zinc/30/66/55/205306655.db2.gz LAZJDRIVVGZRBX-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM CSc1nc(=O)c2scc(-c3cccc(Br)c3)c2[n-]1 ZINC000067172491 205366847 /nfs/dbraw/zinc/36/68/47/205366847.db2.gz LHIJJDVOMRQIPF-UHFFFAOYSA-N -1 0 353.266 4.548 50 0 FJAARM CCC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccccc1 ZINC000100721986 205948079 /nfs/dbraw/zinc/94/80/79/205948079.db2.gz HZCDSUDBSKMJHK-QGZVFWFLSA-N -1 0 357.837 4.537 50 0 FJAARM O=C([O-])CCSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000004284151 206172151 /nfs/dbraw/zinc/17/21/51/206172151.db2.gz CCBBOQGFKAATRF-UHFFFAOYSA-N -1 0 350.852 4.579 50 0 FJAARM COc1ccc2nc([N-]c3nc4cc(OC)c(OC)cc4s3)sc2c1 ZINC000005122695 206190011 /nfs/dbraw/zinc/19/00/11/206190011.db2.gz LRIBAHUZOJUDIH-UHFFFAOYSA-N -1 0 373.459 4.675 50 0 FJAARM Cc1ccc2nc(-c3cccc(Br)c3)c(C)c(C(=O)[O-])c2c1 ZINC000000650723 206223586 /nfs/dbraw/zinc/22/35/86/206223586.db2.gz IXUATSPHHMHIJW-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM O=C([O-])c1c2c(sc1NC(=O)c1cccc3ccccc31)CCCC2 ZINC000000959161 206225180 /nfs/dbraw/zinc/22/51/80/206225180.db2.gz DKFAKRNPCKXELW-UHFFFAOYSA-N -1 0 351.427 4.731 50 0 FJAARM CCc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)s1 ZINC000001230673 206226651 /nfs/dbraw/zinc/22/66/51/206226651.db2.gz QQWYXXPCCMWWRE-UHFFFAOYSA-N -1 0 362.248 4.986 50 0 FJAARM Cc1ccc(-c2cc(C)nc(SCc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000006690920 206243513 /nfs/dbraw/zinc/24/35/13/206243513.db2.gz YYHABRPQBVSGIF-UHFFFAOYSA-N -1 0 350.443 4.751 50 0 FJAARM O=c1cc([O-])c2sc3nc(-c4ccc(F)cc4)cc(C(F)F)c3c2[nH]1 ZINC000012374692 206290624 /nfs/dbraw/zinc/29/06/24/206290624.db2.gz CFTYWPXROQIKKT-UHFFFAOYSA-N -1 0 362.332 4.587 50 0 FJAARM O=C([O-])CCCCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000012998808 206298541 /nfs/dbraw/zinc/29/85/41/206298541.db2.gz OMQREXRUUYPLFZ-UHFFFAOYSA-N -1 0 374.289 4.973 50 0 FJAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000014256401 206309245 /nfs/dbraw/zinc/30/92/45/206309245.db2.gz UGZNLXBKXALJGD-UHFFFAOYSA-N -1 0 361.507 4.917 50 0 FJAARM O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(Cl)ccc1[O-] ZINC000022067730 211337321 /nfs/dbraw/zinc/33/73/21/211337321.db2.gz MWDYATCWJFIPIL-UHFFFAOYSA-N -1 0 370.861 4.985 50 0 FJAARM COc1cccc(-c2nc3ccccc3c(Nc3ccccc3F)n2)c1[O-] ZINC000017196322 211180573 /nfs/dbraw/zinc/18/05/73/211180573.db2.gz ZUGDHBOTLIGZSM-UHFFFAOYSA-N -1 0 361.376 4.894 50 0 FJAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1 ZINC000014257065 211088381 /nfs/dbraw/zinc/08/83/81/211088381.db2.gz HRWLCFHZQHJKET-GFCCVEGCSA-N -1 0 353.871 4.663 50 0 FJAARM CCOc1ccc(-c2[nH]nc3nc(-c4cccc(C)c4)cc(C(=O)[O-])c32)cc1 ZINC000013363544 211030667 /nfs/dbraw/zinc/03/06/67/211030667.db2.gz OCVOEFXIYNXION-UHFFFAOYSA-N -1 0 373.412 4.697 50 0 FJAARM COc1ccc(OC)c(Nc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000013124866 211024913 /nfs/dbraw/zinc/02/49/13/211024913.db2.gz NDVOPZYCBHNEDI-UHFFFAOYSA-N -1 0 373.412 4.763 50 0 FJAARM CCOc1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)ccc1O ZINC000005262230 210610719 /nfs/dbraw/zinc/61/07/19/210610719.db2.gz IBTLKJNYEWHJRP-SDNWHVSQSA-N -1 0 369.442 4.806 50 0 FJAARM COc1cccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)c1OC ZINC000005131372 210601393 /nfs/dbraw/zinc/60/13/93/210601393.db2.gz YXXPETMLSKTRDH-WYMLVPIESA-N -1 0 369.442 4.719 50 0 FJAARM O=C([O-])[C@H]1CC(c2ccc(Br)cc2)=Nc2ccccc2S1 ZINC000004648782 210546758 /nfs/dbraw/zinc/54/67/58/210546758.db2.gz YVOZWUIIIMDJDK-OAHLLOKOSA-N -1 0 362.248 4.519 50 0 FJAARM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC000003784077 210493434 /nfs/dbraw/zinc/49/34/34/210493434.db2.gz SZWKGOZKRMMLAJ-UHFFFAOYSA-N -1 0 351.446 4.986 50 0 in-vitro FJAARM O=C([O-])CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000002876014 210434373 /nfs/dbraw/zinc/43/43/73/210434373.db2.gz KJSCFLBFCUTSBL-UHFFFAOYSA-N -1 0 368.216 4.979 50 0 FJAARM O=C([O-])c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000001203051 210333864 /nfs/dbraw/zinc/33/38/64/210333864.db2.gz KYMSIVQOXUDHBX-UHFFFAOYSA-N -1 0 370.257 4.564 50 0 FJAARM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1cccs1 ZINC000001105593 210316378 /nfs/dbraw/zinc/31/63/78/210316378.db2.gz MFZLDTNAFJYJQN-UHFFFAOYSA-N -1 0 365.863 4.995 50 0 in-vivo FJAARM Cc1cccc(C[C@H](CC(=O)[O-])C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000985977 210299490 /nfs/dbraw/zinc/29/94/90/210299490.db2.gz FQLFYVDQXMXCFA-CYBMUJFWSA-N -1 0 366.244 4.574 50 0 FJAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ccccc2-c2ccccc2)cc1 ZINC000000993185 210298372 /nfs/dbraw/zinc/29/83/72/210298372.db2.gz VCKMAVWNXCUQNP-UHFFFAOYSA-N -1 0 361.397 4.949 50 0 FJAARM C[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])C1 ZINC000046053430 136121997 /nfs/dbraw/zinc/12/19/97/136121997.db2.gz ZUPOZISFQQVTDQ-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM CC1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000046053342 136122015 /nfs/dbraw/zinc/12/20/15/136122015.db2.gz BYLVRMCOOLIXHX-UHFFFAOYSA-N -1 0 372.852 4.527 50 0 FJAARM CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1 ZINC000064588738 136133307 /nfs/dbraw/zinc/13/33/07/136133307.db2.gz LAXLNOKTMGJJHX-UHFFFAOYSA-N -1 0 372.852 4.527 50 0 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ZINC000006561199 204253498 /nfs/dbraw/zinc/25/34/98/204253498.db2.gz NWPFDKHHEWKSJW-SFQUDFHCSA-N -1 0 358.441 4.618 50 0 FJAARM O=c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n21 ZINC000015923368 204626829 /nfs/dbraw/zinc/62/68/29/204626829.db2.gz YHHUDCVIWUACNU-UHFFFAOYSA-N -1 0 355.319 4.788 50 0 FJAARM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCCCC1 ZINC000046053410 205130558 /nfs/dbraw/zinc/13/05/58/205130558.db2.gz GABYKVASBGZPBD-UHFFFAOYSA-N -1 0 372.852 4.671 50 0 FJAARM O=S(=O)([N-]c1ccccc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004880 205314526 /nfs/dbraw/zinc/31/45/26/205314526.db2.gz XGJDERWWYJMYPA-UHFFFAOYSA-N -1 0 374.487 4.862 50 0 FJAARM O=C([O-])c1cccc(Nc2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000170621811 206131782 /nfs/dbraw/zinc/13/17/82/206131782.db2.gz NAAWSYOARHGPAR-UHFFFAOYSA-N -1 0 374.322 4.681 50 0 FJAARM Cc1cc([O-])c(C2=Nc3ccccc3N[C@H](/C=C/c3ccccc3)C2)c(=O)o1 ZINC000036619601 211671712 /nfs/dbraw/zinc/67/17/12/211671712.db2.gz REPFMDKXWWMXTP-FMQWLBJXSA-N -1 0 372.424 4.672 50 0 FJAARM Cc1cc(Nc2cccc(C(=O)[O-])c2)nc(SCc2ccccc2)n1 ZINC000007996523 206214081 /nfs/dbraw/zinc/21/40/81/206214081.db2.gz NGBQJVBONJVMQJ-UHFFFAOYSA-N -1 0 351.431 4.519 50 0 FJAARM CCc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)[O-])c2c1 ZINC000002525948 206230199 /nfs/dbraw/zinc/23/01/99/206230199.db2.gz PTFBUZMYQPUVHA-UHFFFAOYSA-N -1 0 356.219 4.925 50 0 FJAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)[O-])CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000247660925 206562828 /nfs/dbraw/zinc/56/28/28/206562828.db2.gz SCNWNOJSZNDWCA-DOMGEYNRSA-N -1 0 362.510 4.662 50 0 FJAARM O=C([O-])CCCCSc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000018194404 211193929 /nfs/dbraw/zinc/19/39/29/211193929.db2.gz AFPAIZSXBRGNGY-UHFFFAOYSA-N -1 0 352.459 4.886 50 0 FJAARM Cc1sc(NC(=O)CCCC(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000017076396 211179899 /nfs/dbraw/zinc/17/98/99/211179899.db2.gz PNRBREYTKSCHSM-UHFFFAOYSA-N -1 0 373.261 4.619 50 0 FJAARM CCc1c(C)sc2[n-]c(=S)n(Cc3ccc(Cl)cc3)c(=O)c12 ZINC000017072826 211176077 /nfs/dbraw/zinc/17/60/77/211176077.db2.gz BNRCYWFPUIQGDM-UHFFFAOYSA-N -1 0 350.896 4.693 50 0 FJAARM CC(=O)Nc1ccc2nc([N-]c3nc4ccccc4nc3Cl)sc2c1 ZINC000016321515 211159624 /nfs/dbraw/zinc/15/96/24/211159624.db2.gz CGXUJPWHPKMLRJ-UHFFFAOYSA-N -1 0 369.837 4.595 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccccc1 ZINC000015081461 211121519 /nfs/dbraw/zinc/12/15/19/211121519.db2.gz DBDVIDGIOGGNKR-AWEZNQCLSA-N -1 0 367.401 4.727 50 0 FJAARM C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004602057 210543966 /nfs/dbraw/zinc/54/39/66/210543966.db2.gz GOONKHBSKADUIL-FZMZJTMJSA-N -1 0 366.244 4.827 50 0 FJAARM COc1cc([C@@H]2CC(=S)[N-]c3ccccc3S2)cc(OC)c1OC ZINC000004336422 210525238 /nfs/dbraw/zinc/52/52/38/210525238.db2.gz AQVAELSZCPJIBO-INIZCTEOSA-N -1 0 361.488 4.689 50 0 FJAARM COc1ccc(Nc2nc(-c3ccccc3[O-])nc3ccccc32)c(OC)c1 ZINC000001158117 210327383 /nfs/dbraw/zinc/32/73/83/210327383.db2.gz HREUTPRPZCQTHO-UHFFFAOYSA-N -1 0 373.412 4.763 50 0 FJAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001140873 210323808 /nfs/dbraw/zinc/32/38/08/210323808.db2.gz CZNOCTZEVKFFKA-UHFFFAOYSA-N -1 0 372.449 4.607 50 0 FJAARM Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000990690 210299497 /nfs/dbraw/zinc/29/94/97/210299497.db2.gz OPLVUCABQYYYSV-RTBURBONSA-N -1 0 353.418 4.617 50 0 FJAARM CCOc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)[O-])cc1 ZINC000000979615 210297238 /nfs/dbraw/zinc/29/72/38/210297238.db2.gz OUSWWJXFQKYSDJ-UHFFFAOYSA-N -1 0 368.458 4.888 50 0 FJAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000000854671 210281079 /nfs/dbraw/zinc/28/10/79/210281079.db2.gz UWTXTJWEYKRBSW-UHFFFAOYSA-N -1 0 354.617 4.587 50 0 FJAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Br)cc1 ZINC000001147832 210325667 /nfs/dbraw/zinc/32/56/67/210325667.db2.gz SGDCQJYGXXGUSO-UHFFFAOYSA-N -1 0 361.022 4.714 50 0 FJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccsc1 ZINC000064797621 221152301 /nfs/dbraw/zinc/15/23/01/221152301.db2.gz HYYBAEYPVTVBCR-GFCCVEGCSA-N -1 0 373.430 4.788 50 0 FJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccccc1 ZINC000064797261 221152364 /nfs/dbraw/zinc/15/23/64/221152364.db2.gz CFGJDGLBWBHAAZ-AWEZNQCLSA-N -1 0 367.401 4.727 50 0 FJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1cccs1 ZINC000064797624 221152808 /nfs/dbraw/zinc/15/28/08/221152808.db2.gz VZLKFRSRQATNQD-NSHDSACASA-N -1 0 373.430 4.788 50 0 FJAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccccc2)CC(=O)N3)cc1 ZINC000064795867 221152999 /nfs/dbraw/zinc/15/29/99/221152999.db2.gz BINIBAXMGYPPLE-OAHLLOKOSA-N -1 0 363.438 4.896 50 0 FJAARM C[C@H]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])C1 ZINC000046053454 136122023 /nfs/dbraw/zinc/12/20/23/136122023.db2.gz GUCLKYBXQXHRKR-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM CC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)CC1 ZINC000064589119 136133410 /nfs/dbraw/zinc/13/34/10/136133410.db2.gz MUOLLQCAXBJPID-UHFFFAOYSA-N -1 0 372.852 4.527 50 0 FJAARM C[C@H]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)C1 ZINC000064589125 136133450 /nfs/dbraw/zinc/13/34/50/136133450.db2.gz GJQDDJPCXYRMMJ-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM O=C([O-])c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1Cl ZINC000095369499 221870725 /nfs/dbraw/zinc/87/07/25/221870725.db2.gz RLHICKJZTOILPQ-UHFFFAOYSA-N -1 0 358.608 4.526 50 0 FJAARM Cc1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000095929479 221971591 /nfs/dbraw/zinc/97/15/91/221971591.db2.gz PWPJUPMQEJFHLP-UHFFFAOYSA-N -1 0 370.274 4.931 50 0 FJAARM CCOP(=O)(CCCCCCCCCC[P@@](=O)([O-])O)OCC ZINC000096503533 222122952 /nfs/dbraw/zinc/12/29/52/222122952.db2.gz QSNWJNNXAGWSQW-UHFFFAOYSA-N -1 0 358.352 4.551 50 0 FJAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000253501674 519757071 /nfs/dbraw/zinc/75/70/71/519757071.db2.gz WVHKCBDRQIXZLC-UOICAXPBSA-N -1 0 360.494 4.582 50 0 FJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3o2)cc1 ZINC000001226907 560180452 /nfs/dbraw/zinc/18/04/52/560180452.db2.gz XKFNOBGOFBCSSQ-UHFFFAOYSA-N -1 0 364.426 4.604 50 0 in-vitro FJAARM Cc1ccc(-c2csc(NC(=O)c3ccccc3C)c2C(=O)[O-])cc1 ZINC000000709110 568113574 /nfs/dbraw/zinc/11/35/74/568113574.db2.gz MVWSTUJABLCTQP-UHFFFAOYSA-N -1 0 351.427 4.982 50 0 FJAARM CC1(C)[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC[C@@]1(C)C(=O)[O-] ZINC000000705230 570451663 /nfs/dbraw/zinc/45/16/63/570451663.db2.gz ULXQSQPKEUJAQQ-AVRDEDQJSA-N -1 0 366.461 4.896 50 0 FJAARM O=c1[n-]c(=S)ccn1-c1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000000752062 570454403 /nfs/dbraw/zinc/45/44/03/570454403.db2.gz YZIAGNXKPFZJIA-UHFFFAOYSA-N -1 0 363.467 4.686 50 0 FJAARM O=C(C(=C([O-])c1ccccc1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100187299 570539758 /nfs/dbraw/zinc/53/97/58/570539758.db2.gz PTPGUPXRGOETLV-SFIVQVFOSA-N -1 0 350.380 4.833 50 0 FJAARM CCCCOC(=O)N=c1[n-]nc(Cc2ccc(Cl)cc2Cl)s1 ZINC000002898603 570543513 /nfs/dbraw/zinc/54/35/13/570543513.db2.gz IMXNQOXSGSGJOS-UHFFFAOYSA-N -1 0 360.266 4.784 50 0 FJAARM CCOc1ccccc1Oc1c(=O)c2ccc([O-])cc2oc1C(F)(F)F ZINC000005444758 570656663 /nfs/dbraw/zinc/65/66/63/570656663.db2.gz HXUMLKHADLLMBY-UHFFFAOYSA-N -1 0 366.291 4.708 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3cccc(Cl)c3)c2=O)c1-c1ccccc1 ZINC000009225384 570692595 /nfs/dbraw/zinc/69/25/95/570692595.db2.gz KPCQJWRLOFZLBD-UHFFFAOYSA-N -1 0 363.848 4.551 50 0 FJAARM Cc1nc(-c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)cs1 ZINC000032679024 570767485 /nfs/dbraw/zinc/76/74/85/570767485.db2.gz MDZOQPHMZODVHU-UHFFFAOYSA-N -1 0 372.515 4.845 50 0 FJAARM CCCCC(=O)Nc1ccc(N2CC[C@H](c3ccccc3)C2)c(C(=O)[O-])c1 ZINC000046053658 570921843 /nfs/dbraw/zinc/92/18/43/570921843.db2.gz RMVLVVNULGWSEI-KRWDZBQOSA-N -1 0 366.461 4.507 50 0 FJAARM CC(=O)N1C(=O)[N-]C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000026458841 571005676 /nfs/dbraw/zinc/00/56/76/571005676.db2.gz DRYLQJTXKDYGDU-NTUHNPAUSA-N -1 0 365.172 4.533 50 0 FJAARM C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000008720899 571057780 /nfs/dbraw/zinc/05/77/80/571057780.db2.gz XGGYNOALMDYQAQ-YCRPNKLZSA-N -1 0 372.424 4.713 50 0 FJAARM COc1ccc(COc2ccc([C@@H](C)C(=O)[O-])cc2Cl)cc1Cl ZINC000045068590 571133358 /nfs/dbraw/zinc/13/33/58/571133358.db2.gz XYECNWUPHWRKEO-SNVBAGLBSA-N -1 0 355.217 4.769 50 0 FJAARM CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000253612585 571139546 /nfs/dbraw/zinc/13/95/46/571139546.db2.gz WVHKCBDRQIXZLC-HCAZBCROSA-N -1 0 360.494 4.582 50 0 FJAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccccc1C(F)(F)F ZINC000005885551 571167642 /nfs/dbraw/zinc/16/76/42/571167642.db2.gz RPZXAUQZQYYOFY-UHFFFAOYSA-N -1 0 351.349 4.659 50 0 FJAARM CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000585140401 571232040 /nfs/dbraw/zinc/23/20/40/571232040.db2.gz CXOPHQDZOQCVOK-SNVBAGLBSA-N -1 0 363.866 4.867 50 0 FJAARM CC(C)c1ccc(-c2oc3c(c2CC(=O)[O-])c(=O)oc2ccccc32)cc1 ZINC000524729656 571258564 /nfs/dbraw/zinc/25/85/64/571258564.db2.gz CHJAQGFQHKLEJW-UHFFFAOYSA-N -1 0 362.381 4.957 50 0 FJAARM C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000253404732 571312150 /nfs/dbraw/zinc/31/21/50/571312150.db2.gz DPHSKGSEDDIHLG-LLVKDONJSA-N -1 0 374.849 4.785 50 0 FJAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000079111967 571327067 /nfs/dbraw/zinc/32/70/67/571327067.db2.gz RCZKVRXZHFSLAG-UHFFFAOYSA-N -1 0 370.821 4.786 50 0 FJAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3C2CCCCC2)cc1 ZINC000095480296 571331090 /nfs/dbraw/zinc/33/10/90/571331090.db2.gz ZNRQHAZHUKMEPY-KRWDZBQOSA-N -1 0 371.462 4.527 50 0 FJAARM O=c1c2cc(Cl)ccc2[n-]c(=S)n1CCc1ccc(Cl)cc1 ZINC000003043411 571344007 /nfs/dbraw/zinc/34/40/07/571344007.db2.gz LUYJKQJYCICKEQ-UHFFFAOYSA-N -1 0 351.258 4.609 50 0 FJAARM Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[n-]c1=S ZINC000000945460 219344305 /nfs/dbraw/zinc/34/43/05/219344305.db2.gz KVIVJKVSQIUYMI-UHFFFAOYSA-N -1 0 361.426 4.526 50 0 FJAARM COc1ccc(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000001177723 219385373 /nfs/dbraw/zinc/38/53/73/219385373.db2.gz SIYHDMUQCIENHY-UHFFFAOYSA-N -1 0 374.849 4.843 50 0 FJAARM O=C([O-])CCCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064858603 212047254 /nfs/dbraw/zinc/04/72/54/212047254.db2.gz YQRYKVLRMJAKGU-UHFFFAOYSA-N -1 0 357.409 4.890 50 0 in-vitro FJAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N(CC)Cc1ccccc1 ZINC000064820770 212045054 /nfs/dbraw/zinc/04/50/54/212045054.db2.gz YYRMYWLZDHRJQQ-UHFFFAOYSA-N -1 0 354.450 4.540 50 0 FJAARM CCCCSc1nnc([N-]C(=O)c2cc(-c3ccccc3C)on2)s1 ZINC000061997083 212028537 /nfs/dbraw/zinc/02/85/37/212028537.db2.gz BJCIJOXZACQCIF-UHFFFAOYSA-N -1 0 374.491 4.646 50 0 FJAARM COc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1OCc1ccccc1 ZINC000096315692 203926958 /nfs/dbraw/zinc/92/69/58/203926958.db2.gz COUSHXWNTBGFCS-NTMALXAHSA-N -1 0 367.426 4.599 50 0 FJAARM O=C([O-])c1ccccc1C(=O)O[C@H](c1ccccc1)c1ccccc1Cl ZINC000000638648 203937196 /nfs/dbraw/zinc/93/71/96/203937196.db2.gz YKSUSBZFUCVFQJ-LJQANCHMSA-N -1 0 366.800 4.985 50 0 FJAARM Cc1ccc(-c2coc3cc4oc(=O)c(CCC(=O)[O-])c(C)c4cc32)cc1 ZINC000002120343 204025830 /nfs/dbraw/zinc/02/58/30/204025830.db2.gz IVPSOCGTIIFJDC-UHFFFAOYSA-N -1 0 362.381 4.840 50 0 FJAARM O=C([O-])CSc1nc(-c2ccc(Cl)cc2)nc2c3ccccc3oc21 ZINC000002334457 204034386 /nfs/dbraw/zinc/03/43/86/204034386.db2.gz HFVNNRWQEUJIFN-UHFFFAOYSA-N -1 0 370.817 4.873 50 0 FJAARM O=C([O-])c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1 ZINC000003334968 204092337 /nfs/dbraw/zinc/09/23/37/204092337.db2.gz NOIXLVHHHWFZJF-UHFFFAOYSA-N -1 0 360.485 4.654 50 0 FJAARM Cc1c2cc(Br)cc(Cl)c2oc(=O)c1-c1ccc(O)cc1 ZINC000002581721 204045330 /nfs/dbraw/zinc/04/53/30/204045330.db2.gz PZOHXPHPZJLKIN-UHFFFAOYSA-N -1 0 365.610 4.890 50 0 FJAARM C[C@H]1CC(C)(C)C[C@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)[O-])C1 ZINC000004092771 204120604 /nfs/dbraw/zinc/12/06/04/204120604.db2.gz QQLVXYUIIGTHTC-SGTLLEGYSA-N -1 0 371.399 4.951 50 0 FJAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000004600890 204150585 /nfs/dbraw/zinc/15/05/85/204150585.db2.gz KCUDHBKZLOGBGM-SFHVURJKSA-N -1 0 373.880 4.512 50 0 FJAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)cc1 ZINC000004689744 204155078 /nfs/dbraw/zinc/15/50/78/204155078.db2.gz RIKKOULEKCWUMA-FQEVSTJZSA-N -1 0 367.489 4.639 50 0 FJAARM CCCC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004843929 204168905 /nfs/dbraw/zinc/16/89/05/204168905.db2.gz RONWUDVZHQVPNE-DZGCQCFKSA-N -1 0 360.479 4.666 50 0 FJAARM CC1(C)[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@]1(C)C(=O)[O-] ZINC000004474061 204140000 /nfs/dbraw/zinc/14/00/00/204140000.db2.gz XHROHRKPVNEWHD-AVRDEDQJSA-N -1 0 367.445 4.945 50 0 FJAARM O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000005344494 204204969 /nfs/dbraw/zinc/20/49/69/204204969.db2.gz LBQUFQVKTAOABB-AWEZNQCLSA-N -1 0 367.626 4.544 50 0 FJAARM CC[C@]1(C)Cc2c(sc3[n-]c(=S)n(C4CCCCC4)c(=O)c32)CO1 ZINC000006197448 204240437 /nfs/dbraw/zinc/24/04/37/204240437.db2.gz DXGHJMJMJRGTHX-GOSISDBHSA-N -1 0 364.536 4.867 50 0 FJAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cccc(F)c1)oc1ccccc12 ZINC000006415866 204248849 /nfs/dbraw/zinc/24/88/49/204248849.db2.gz LOKIVMFIIGGNSQ-UHFFFAOYSA-N -1 0 371.389 4.535 50 0 FJAARM CCc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(F)cc3)n2)cc1 ZINC000006749015 204265578 /nfs/dbraw/zinc/26/55/78/204265578.db2.gz PNGKTLSHADHLHM-UHFFFAOYSA-N -1 0 361.376 4.692 50 0 FJAARM Cc1c(C(=O)[O-])oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000006751190 204265889 /nfs/dbraw/zinc/26/58/89/204265889.db2.gz JXOZHNWLYMWADI-FQEVSTJZSA-N -1 0 370.788 4.973 50 0 FJAARM O=C([O-])c1ccc(/C=C2\C(=O)Nc3ccccc3N=C2c2ccccc2)cc1 ZINC000007779533 204306873 /nfs/dbraw/zinc/30/68/73/204306873.db2.gz DMPDFNORIISOIQ-JXAWBTAJSA-N -1 0 368.392 4.541 50 0 FJAARM [O-]c1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3)oc2c1 ZINC000008643209 204338114 /nfs/dbraw/zinc/33/81/14/204338114.db2.gz CKLHMMPNHTWWQH-FCQUAONHSA-N -1 0 353.381 4.914 50 0 FJAARM CCOC(=O)c1c(C)nc([N-]c2nc3ccccc3o2)nc1-c1ccccc1 ZINC000009111397 204354383 /nfs/dbraw/zinc/35/43/83/204354383.db2.gz JNDBBYIJHFCBRM-UHFFFAOYSA-N -1 0 374.400 4.514 50 0 FJAARM S=c1[n-]nc(Cc2c[nH]c3ccccc23)n1-c1cccc2ncccc21 ZINC000013550294 204535400 /nfs/dbraw/zinc/53/54/00/204535400.db2.gz IJUSPULYECCPJO-UHFFFAOYSA-N -1 0 357.442 4.550 50 0 FJAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000012940499 204511676 /nfs/dbraw/zinc/51/16/76/204511676.db2.gz VGYZXKVVDNSGPG-UHFFFAOYSA-N -1 0 363.438 4.783 50 0 FJAARM O=C([O-])c1sccc1Oc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000012959862 204514285 /nfs/dbraw/zinc/51/42/85/204514285.db2.gz UTRUQPRUIDDFFP-UHFFFAOYSA-N -1 0 367.426 4.810 50 0 FJAARM CCCCc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000037385872 205026360 /nfs/dbraw/zinc/02/63/60/205026360.db2.gz NBFILQLSBYZEBA-UHFFFAOYSA-N -1 0 368.296 4.593 50 0 FJAARM CCCN(CCC)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000046053376 205129827 /nfs/dbraw/zinc/12/98/27/205129827.db2.gz ASYQIQLIDFKYEM-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM CCCCN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000064588742 205301859 /nfs/dbraw/zinc/30/18/59/205301859.db2.gz MDPWLULQDHQTDH-UHFFFAOYSA-N -1 0 360.841 4.527 50 0 FJAARM Cc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795235 205306224 /nfs/dbraw/zinc/30/62/24/205306224.db2.gz XAFQSEXILSHAHF-HNNXBMFYSA-N -1 0 363.438 4.896 50 0 FJAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl ZINC000064820270 205306681 /nfs/dbraw/zinc/30/66/81/205306681.db2.gz LCJDEUJPEUEYAJ-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1ccc(Cl)s1 ZINC000002662152 206155887 /nfs/dbraw/zinc/15/58/87/206155887.db2.gz OWIKNZFPRGTZBZ-UHFFFAOYSA-N -1 0 363.891 4.793 50 0 FJAARM CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000001842219 206228284 /nfs/dbraw/zinc/22/82/84/206228284.db2.gz GBXZTRGLVLFROK-UHFFFAOYSA-N -1 0 350.443 4.615 50 0 FJAARM O=C(c1cc(Cl)c([O-])c(Cl)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000032786819 211561927 /nfs/dbraw/zinc/56/19/27/211561927.db2.gz RYBYDWBTBDVUBC-AWEZNQCLSA-N -1 0 350.245 4.546 50 0 FJAARM Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000012274730 206289105 /nfs/dbraw/zinc/28/91/05/206289105.db2.gz BPIMSSNRBRZOSE-UHFFFAOYSA-N -1 0 355.777 4.859 50 0 FJAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)[O-])CC[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000253615022 206587965 /nfs/dbraw/zinc/58/79/65/206587965.db2.gz SCNWNOJSZNDWCA-QYXLLVCASA-N -1 0 362.510 4.662 50 0 FJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccccc4F)cc(C(=O)[O-])c32)cc1 ZINC000020492346 211283703 /nfs/dbraw/zinc/28/37/03/211283703.db2.gz LGIUICCNRNKCSW-UHFFFAOYSA-N -1 0 361.376 4.692 50 0 FJAARM CCc1ccc(-c2csc(NC(=O)CC3(CC(=O)[O-])CCCC3)n2)cc1 ZINC000017076331 211178848 /nfs/dbraw/zinc/17/88/48/211178848.db2.gz AWKQGGXKAAXHBG-UHFFFAOYSA-N -1 0 372.490 4.736 50 0 FJAARM Cc1[n-]n2c(nc(-c3cccc4ccccc43)cc2=O)c1-c1ccccc1 ZINC000014163584 211080662 /nfs/dbraw/zinc/08/06/62/211080662.db2.gz PDDIEAWZIBMBAN-UHFFFAOYSA-N -1 0 351.409 4.818 50 0 FJAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc21 ZINC000014075620 211069982 /nfs/dbraw/zinc/06/99/82/211069982.db2.gz KRKVADZVTSNDHO-UHFFFAOYSA-N -1 0 370.499 4.985 50 0 FJAARM CC[C@@H](C)SC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1 ZINC000013774639 211058615 /nfs/dbraw/zinc/05/86/15/211058615.db2.gz JJZQZFSMBWLKBC-CQSZACIVSA-N -1 0 366.486 4.546 50 0 FJAARM Cc1c([O-])ccc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc12 ZINC000006765448 210697543 /nfs/dbraw/zinc/69/75/43/210697543.db2.gz MKQLWOWZLSXYKK-UHFFFAOYSA-N -1 0 354.255 4.757 50 0 FJAARM O=C([O-])c1ccc(-n2ncc3c2/C(=C/c2ccc(Cl)cc2)CC3)cc1 ZINC000005559891 210627975 /nfs/dbraw/zinc/62/79/75/210627975.db2.gz GJCFYXIRDRVRNB-RVDMUPIBSA-N -1 0 350.805 4.711 50 0 FJAARM Cc1ccc(-c2coc3c2c(C)cc2oc(=O)c(CC(=O)[O-])c(C)c32)cc1 ZINC000004540390 210538471 /nfs/dbraw/zinc/53/84/71/210538471.db2.gz QVJHXRFHCLZGEE-UHFFFAOYSA-N -1 0 362.381 4.759 50 0 FJAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(F)cc3)n2)c1[O-] ZINC000002372807 210393885 /nfs/dbraw/zinc/39/38/85/210393885.db2.gz YDZARZCMJPHAPU-UHFFFAOYSA-N -1 0 362.360 4.942 50 0 FJAARM Cc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)[O-])c(C)c1 ZINC000001175026 210329018 /nfs/dbraw/zinc/32/90/18/210329018.db2.gz WLCPZHRURQZTKU-UHFFFAOYSA-N -1 0 356.422 4.937 50 0 FJAARM Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)c1 ZINC000000990703 210298723 /nfs/dbraw/zinc/29/87/23/210298723.db2.gz IDNICEBBFZPKSO-RTBURBONSA-N -1 0 353.418 4.617 50 0 FJAARM Cc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795241 221152754 /nfs/dbraw/zinc/15/27/54/221152754.db2.gz XIOZILNKNXXFCM-OAHLLOKOSA-N -1 0 363.438 4.896 50 0 FJAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2Cl)C1 ZINC000064820266 136133870 /nfs/dbraw/zinc/13/38/70/136133870.db2.gz GUEVCZQUWKQFJS-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM COc1ccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc1OC(F)F ZINC000096792017 222130940 /nfs/dbraw/zinc/13/09/40/222130940.db2.gz VVFZFVUTDLHJIM-VURMDHGXSA-N -1 0 371.339 4.713 50 0 FJAARM O=C1CC[C@@H](c2ccccc2)C(=O)C1=C([O-])c1ccc(Cl)cc1Cl ZINC000100217090 222239737 /nfs/dbraw/zinc/23/97/37/222239737.db2.gz IGEOSXNEZHLFIR-GUYCJALGSA-N -1 0 361.224 4.508 50 0 FJAARM Cc1cc(-c2c(C)[n-]n(-c3ccccc3)c2=O)n(-c2ccc(Cl)cc2)n1 ZINC000100334534 222241839 /nfs/dbraw/zinc/24/18/39/222241839.db2.gz HOZVHVAMHZKRHU-UHFFFAOYSA-N -1 0 364.836 4.701 50 0 FJAARM O=C(C(=C([O-])c1cccs1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100902305 222256406 /nfs/dbraw/zinc/25/64/06/222256406.db2.gz ZIARIILRRWXIKG-IAHCOWJPSA-N -1 0 356.409 4.895 50 0 FJAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000253501676 519757066 /nfs/dbraw/zinc/75/70/66/519757066.db2.gz WVHKCBDRQIXZLC-XIKBUJSXSA-N -1 0 360.494 4.582 50 0 FJAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000253499532 519757711 /nfs/dbraw/zinc/75/77/11/519757711.db2.gz WVHKCBDRQIXZLC-VQZJJIPLSA-N -1 0 360.494 4.582 50 0 FJAARM Cc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)ccc2O3)c1 ZINC000006748577 568030591 /nfs/dbraw/zinc/03/05/91/568030591.db2.gz RKOJVBJEMSVOJM-UHFFFAOYSA-N -1 0 369.218 4.617 50 0 FJAARM CC(C)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000095067963 570451290 /nfs/dbraw/zinc/45/12/90/570451290.db2.gz OABCDFSTOXTYQZ-UHFFFAOYSA-N -1 0 372.259 4.512 50 0 FJAARM CC(C)c1cccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000095067941 570451298 /nfs/dbraw/zinc/45/12/98/570451298.db2.gz CILXQSFEHSQVER-UHFFFAOYSA-N -1 0 372.259 4.512 50 0 FJAARM COc1ccc(-n2c(-c3ccc(OC(F)(F)F)cc3)n[n-]c2=S)cc1 ZINC000001047842 570476968 /nfs/dbraw/zinc/47/69/68/570476968.db2.gz GVQIHKFFXLIWGG-UHFFFAOYSA-N -1 0 367.352 4.504 50 0 FJAARM CCC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccccc1 ZINC000100721987 570506786 /nfs/dbraw/zinc/50/67/86/570506786.db2.gz HZCDSUDBSKMJHK-KRWDZBQOSA-N -1 0 357.837 4.537 50 0 FJAARM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3c(C)cccc3C)nc2)c1 ZINC000034840461 570556989 /nfs/dbraw/zinc/55/69/89/570556989.db2.gz PIXIEVQESYRANI-UHFFFAOYSA-N -1 0 368.458 4.600 50 0 FJAARM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)ccc3C)nc2)c1 ZINC000034840429 570557064 /nfs/dbraw/zinc/55/70/64/570557064.db2.gz MQUSLYIGSNOGAH-UHFFFAOYSA-N -1 0 368.458 4.600 50 0 FJAARM Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)[O-])c2C)cc1 ZINC000004179868 570580528 /nfs/dbraw/zinc/58/05/28/570580528.db2.gz IJKOKQJXLDYBKI-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM COc1cc([C@H]2CC(=S)[N-]c3ccccc3S2)cc(OC)c1OC ZINC000004336423 570585799 /nfs/dbraw/zinc/58/57/99/570585799.db2.gz AQVAELSZCPJIBO-MRXNPFEDSA-N -1 0 361.488 4.689 50 0 FJAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(CCc4ccc(F)cc4)c(=O)c32)C1 ZINC000006511716 570648316 /nfs/dbraw/zinc/64/83/16/570648316.db2.gz SIVBMMMSNCBXFO-LLVKDONJSA-N -1 0 374.506 4.627 50 0 FJAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000002635976 570655567 /nfs/dbraw/zinc/65/55/67/570655567.db2.gz SUCGSMGLLOXHDF-UHFFFAOYSA-N -1 0 359.900 4.508 50 0 FJAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000003414155 570661203 /nfs/dbraw/zinc/66/12/03/570661203.db2.gz ZCPRGQQZGYLVPW-UHFFFAOYSA-N -1 0 367.751 4.607 50 0 FJAARM O=C([O-])c1ccc(OCCOc2ccc(Oc3ccccc3)cc2)cc1 ZINC000011891771 570711420 /nfs/dbraw/zinc/71/14/20/570711420.db2.gz CYKLYHQOCRQIOL-UHFFFAOYSA-N -1 0 350.370 4.635 50 0 FJAARM CC(C)(C)c1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1 ZINC000012336767 570737671 /nfs/dbraw/zinc/73/76/71/570737671.db2.gz CRPGJWHGKJNBKZ-CTNGQTDRSA-N -1 0 365.473 4.549 50 0 FJAARM CC1(C)[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@]1(C)C(=O)[O-] ZINC000004474062 570794945 /nfs/dbraw/zinc/79/49/45/570794945.db2.gz XHROHRKPVNEWHD-GCJKJVERSA-N -1 0 367.445 4.945 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000015082263 570832445 /nfs/dbraw/zinc/83/24/45/570832445.db2.gz IYCLKKRMAMTEDB-AWEZNQCLSA-N -1 0 365.410 4.943 50 0 FJAARM CCCc1cc(=O)n2[n-]c(COc3ccccc3)c(-c3ccccc3)c2n1 ZINC000102712160 570837318 /nfs/dbraw/zinc/83/73/18/570837318.db2.gz XEFLXSAJYMERMQ-UHFFFAOYSA-N -1 0 359.429 4.633 50 0 FJAARM COC(=O)c1ccc(Nc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000017123950 570869381 /nfs/dbraw/zinc/86/93/81/570869381.db2.gz SGLHVRKCTMRNBF-UHFFFAOYSA-N -1 0 371.396 4.533 50 0 FJAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccco3)cc(C(F)F)c12 ZINC000020603682 570920954 /nfs/dbraw/zinc/92/09/54/570920954.db2.gz ATALLLSJWCIKIW-UHFFFAOYSA-N -1 0 369.327 4.625 50 0 FJAARM CCCCN(CC)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000046053476 570921878 /nfs/dbraw/zinc/92/18/78/570921878.db2.gz OKIKNERKYUENTD-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM O=C(CSC(c1ccccc1)c1ccccc1)[N-]OCc1ccccc1 ZINC000025035736 570989176 /nfs/dbraw/zinc/98/91/76/570989176.db2.gz MPBAYAXRHGDUSM-UHFFFAOYSA-N -1 0 363.482 4.757 50 0 FJAARM CCC(C(=O)CCCC(=O)Nc1c(C)cccc1C)=C([O-])c1ccccc1 ZINC000025574361 570997258 /nfs/dbraw/zinc/99/72/58/570997258.db2.gz NBCQWTOYNKVSRQ-LJQANCHMSA-N -1 0 365.473 4.890 50 0 FJAARM Cc1cc(Nc2ccccc2C(=O)[O-])c2cccc(Br)c2n1 ZINC000001267850 571045660 /nfs/dbraw/zinc/04/56/60/571045660.db2.gz 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210415060 /nfs/dbraw/zinc/41/50/60/210415060.db2.gz JQJRXHCNUDMIBF-UHFFFAOYSA-N -1 0 353.399 4.522 50 0 FJAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000002539865 210404852 /nfs/dbraw/zinc/40/48/52/210404852.db2.gz HQOGMQFPENTFMI-UHFFFAOYSA-N -1 0 373.408 4.770 50 0 FJAARM CC(C)[C@H](Nc1nc(-c2ccccc2)nc2c3ccccc3oc21)C(=O)[O-] ZINC000002402176 210397121 /nfs/dbraw/zinc/39/71/21/210397121.db2.gz HKKYNQSIQIBIBO-INIZCTEOSA-N -1 0 361.401 4.564 50 0 FJAARM O=C([O-])CCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386097 210394532 /nfs/dbraw/zinc/39/45/32/210394532.db2.gz FRPYXTFBPCYALT-UHFFFAOYSA-N -1 0 367.445 4.560 50 0 FJAARM Cc1ccc(NC(=O)c2c(C)nc([N-]c3nc4ccccc4o3)nc2C)cc1 ZINC000001858922 210372507 /nfs/dbraw/zinc/37/25/07/210372507.db2.gz PMGYPXUXTYCCRU-UHFFFAOYSA-N -1 0 373.416 4.539 50 0 FJAARM O=C([O-])/C=C/c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000001385826 210347191 /nfs/dbraw/zinc/34/71/91/210347191.db2.gz CBPTZQXBTXUKSD-AATRIKPKSA-N -1 0 366.726 4.796 50 0 FJAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000000971761 210296821 /nfs/dbraw/zinc/29/68/21/210296821.db2.gz MBSZQOGOVMXQJX-MSOLQXFVSA-N -1 0 363.413 4.972 50 0 FJAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000064820343 136133857 /nfs/dbraw/zinc/13/38/57/136133857.db2.gz PATPNCSPZUBJIV-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM COc1ccc(C(=O)[C@H](C(=O)C=C([O-])c2ccccc2)c2ccccc2)cc1 ZINC000097447404 222181719 /nfs/dbraw/zinc/18/17/19/222181719.db2.gz LBSCHRFFCKHVHX-QHCPKHFHSA-N -1 0 372.420 4.504 50 0 FJAARM Cc1nc(SCc2ccccc2)[n-]c(=O)c1Oc1ccc(Cl)cc1 ZINC000005176628 263339219 /nfs/dbraw/zinc/33/92/19/263339219.db2.gz GSPBTXMINHILRS-UHFFFAOYSA-N -1 0 358.850 4.816 50 0 FJAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000253499534 519757662 /nfs/dbraw/zinc/75/76/62/519757662.db2.gz WVHKCBDRQIXZLC-YUINZIOUSA-N -1 0 360.494 4.582 50 0 FJAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl ZINC000006800748 568049413 /nfs/dbraw/zinc/04/94/13/568049413.db2.gz RGKACLORUGDCOK-UHFFFAOYSA-N -1 0 370.179 4.813 50 0 FJAARM COc1cc(-c2cc(F)cc(OCc3ccccc3)c2)ccc1C(=O)[O-] ZINC000216709748 568135985 /nfs/dbraw/zinc/13/59/85/568135985.db2.gz SVIRWUWFMLAYPA-UHFFFAOYSA-N -1 0 352.361 4.779 50 0 FJAARM O=C([O-])/C=C\c1cc(Cl)ccc1OCc1ccccc1Br ZINC000095911113 570471253 /nfs/dbraw/zinc/47/12/53/570471253.db2.gz YHGQDDYBBWKGDS-YVMONPNESA-N -1 0 367.626 4.779 50 0 FJAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cc2ccc(C)cc2)c3=O)cc1 ZINC000102716142 570516768 /nfs/dbraw/zinc/51/67/68/570516768.db2.gz WCGSDMDMUODAEM-UHFFFAOYSA-N -1 0 373.456 4.627 50 0 FJAARM Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)c1 ZINC000004593177 570597139 /nfs/dbraw/zinc/59/71/39/570597139.db2.gz UYCYKBRZXGOMPH-VQTJNVASSA-N -1 0 365.429 4.701 50 0 FJAARM O=c1c(-c2cc3ccccc3o2)c(C(F)(F)F)oc2cc([O-])cc(O)c12 ZINC000005528434 570667185 /nfs/dbraw/zinc/66/71/85/570667185.db2.gz UWYAXNKBBVQCBL-UHFFFAOYSA-N -1 0 362.259 4.636 50 0 FJAARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000005593616 570679691 /nfs/dbraw/zinc/67/96/91/570679691.db2.gz GHLCBQZUTBKNAD-VKJFTORMSA-N -1 0 370.246 4.974 50 0 FJAARM O=C([O-])/C=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000011956063 570713029 /nfs/dbraw/zinc/71/30/29/570713029.db2.gz UCLQVZPKJSEHLG-VMPITWQZSA-N -1 0 367.626 4.779 50 0 FJAARM CC[C@H]1CCCCN1c1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000013127425 570774172 /nfs/dbraw/zinc/77/41/72/570774172.db2.gz QKIPZWIPWXDLCI-HNNXBMFYSA-N -1 0 363.461 4.780 50 0 aggregator FJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cc(C)ccc2C)C1 ZINC000097993221 570799040 /nfs/dbraw/zinc/79/90/40/570799040.db2.gz RUULSDMCHRMINI-PDGQHHTCSA-N -1 0 372.468 4.926 50 0 FJAARM CC(C)c1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000032895506 570836318 /nfs/dbraw/zinc/83/63/18/570836318.db2.gz BTQFDXBTHKFYGL-UHFFFAOYSA-N -1 0 359.369 4.509 50 0 FJAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000045967542 570917937 /nfs/dbraw/zinc/91/79/37/570917937.db2.gz PULXDZZWWXLZCQ-UHFFFAOYSA-N -1 0 372.852 4.671 50 0 FJAARM O=C([O-])c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccc(F)cc1 ZINC000025781576 571000557 /nfs/dbraw/zinc/00/05/57/571000557.db2.gz LBZQGRXAPFFRQX-UHFFFAOYSA-N -1 0 369.154 4.823 50 0 FJAARM Cc1ccc2occ(/C=C(\C(=O)[O-])c3cccc4ccccc43)c(=O)c2c1 ZINC000039931863 571066119 /nfs/dbraw/zinc/06/61/19/571066119.db2.gz UJJFPJHVZMBLJG-UNOMPAQXSA-N -1 0 356.377 4.880 50 0 FJAARM O=C([O-])c1ccc(NCc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000001414791 571067550 /nfs/dbraw/zinc/06/75/50/571067550.db2.gz LSIUJNZHJVUWGL-UHFFFAOYSA-N -1 0 356.425 5.000 50 0 FJAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004536 571141555 /nfs/dbraw/zinc/14/15/55/571141555.db2.gz JNOALLIHWQKNQQ-UHFFFAOYSA-N -1 0 374.487 4.780 50 0 FJAARM CC(C)C[C@@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccccc4)coc-3c21 ZINC000524729372 571190678 /nfs/dbraw/zinc/19/06/78/571190678.db2.gz QMBBQDBTDPTAOG-CQSZACIVSA-N -1 0 364.397 4.604 50 0 FJAARM O=C([O-])Cc1c(-c2cc3ccccc3o2)oc2c1c(=O)oc1ccccc21 ZINC000524730386 571191071 /nfs/dbraw/zinc/19/10/71/571191071.db2.gz HHCGBCXDIPQIRQ-UHFFFAOYSA-N -1 0 360.321 4.580 50 0 FJAARM CC(=O)O[C@@H]1C[C@@]23C[C@]1(C)CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000004731325 571226872 /nfs/dbraw/zinc/22/68/72/571226872.db2.gz CSADACRWWVVNQF-TWRNJQHCSA-N -1 0 362.510 4.806 50 0 FJAARM Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C)oc2c3CCCC2)cc1 ZINC000004735776 571227305 /nfs/dbraw/zinc/22/73/05/571227305.db2.gz DMIWWQNYXWEYID-UHFFFAOYSA-N -1 0 355.459 4.729 50 0 FJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)s2)n1 ZINC000064769384 571242242 /nfs/dbraw/zinc/24/22/42/571242242.db2.gz JMJWGFNPBIKKPI-UHFFFAOYSA-N -1 0 364.517 4.543 50 0 FJAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1C ZINC000065004038 571250246 /nfs/dbraw/zinc/25/02/46/571250246.db2.gz DFPJFVAIFOBGFO-UHFFFAOYSA-N -1 0 374.487 4.698 50 0 FJAARM Cc1nc(-c2ccc(Cn3c(=O)c4ccccc4[n-]c3=S)s2)cs1 ZINC000007047524 571258274 /nfs/dbraw/zinc/25/82/74/571258274.db2.gz ZDBTVNMUDHEZOH-UHFFFAOYSA-N -1 0 371.512 4.601 50 0 FJAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1cccs1 ZINC000007055611 571259602 /nfs/dbraw/zinc/25/96/02/571259602.db2.gz MSEZFIGNTZHZEV-UHFFFAOYSA-N -1 0 372.496 4.826 50 0 FJAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000007409040 571265262 /nfs/dbraw/zinc/26/52/62/571265262.db2.gz SNTCZFBMMZLSHG-UHFFFAOYSA-N -1 0 363.788 4.776 50 0 FJAARM O=c1c2c3c(sc2[n-]c(=S)n1C/C=C/[C@@H]1C=CC=CC1)CCCC3 ZINC000001061143 571275566 /nfs/dbraw/zinc/27/55/66/571275566.db2.gz JUNYDUDAZUIWAZ-YSKGHYERSA-N -1 0 356.516 4.688 50 0 FJAARM O=c1c2c3c(sc2[n-]c(=S)n1C/C=C/c1ccccc1)CCCC3 ZINC000002705119 571340419 /nfs/dbraw/zinc/34/04/19/571340419.db2.gz ILCVKYDKFIKTLW-RMKNXTFCSA-N -1 0 354.500 4.713 50 0 FJAARM O=C([O-])c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001752621 219418166 /nfs/dbraw/zinc/41/81/66/219418166.db2.gz BUYIGHNLUHGPLP-UHFFFAOYSA-N -1 0 358.703 4.701 50 0 FJAARM COc1ccc2sc([N-]c3nc4c(s3)C(=O)CC(C)(C)C4)nc2c1 ZINC000004359821 219569991 /nfs/dbraw/zinc/56/99/91/219569991.db2.gz UVANFTJSQGMTDV-UHFFFAOYSA-N -1 0 359.476 4.660 50 0 FJAARM CCCCOC(=O)N=c1[n-]nc(CSCc2ccc(Cl)cc2)s1 ZINC000005013327 219639439 /nfs/dbraw/zinc/63/94/39/219639439.db2.gz PEAOLIBVFOAWGC-UHFFFAOYSA-N -1 0 371.915 4.974 50 0 FJAARM O=C([N-]C(=O)c1ccccc1Cl)OCc1ccc(Cl)cc1Cl ZINC000001037961 203975297 /nfs/dbraw/zinc/97/52/97/203975297.db2.gz VBSRSSXEXYRMPQ-UHFFFAOYSA-N -1 0 358.608 4.713 50 0 FJAARM COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000002278397 204031150 /nfs/dbraw/zinc/03/11/50/204031150.db2.gz XYLJKGRZOODBOC-UHFFFAOYSA-N -1 0 367.426 4.683 50 0 FJAARM CCOc1cc2[n-]c(=S)n(C3CCCCCC3)c(=O)c2cc1OCC ZINC000003010290 204072849 /nfs/dbraw/zinc/07/28/49/204072849.db2.gz UOPZEIMSZOSNGQ-UHFFFAOYSA-N -1 0 362.495 4.752 50 0 FJAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(C2CCCCC2)cc1 ZINC000003094691 204078081 /nfs/dbraw/zinc/07/80/81/204078081.db2.gz ANONORHHOPRFLM-UHFFFAOYSA-N -1 0 350.871 4.584 50 0 FJAARM CCOc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000002534502 204044368 /nfs/dbraw/zinc/04/43/68/204044368.db2.gz ZROHCIIRJKRMCU-QGZVFWFLSA-N -1 0 364.850 4.557 50 0 FJAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)SCc1ccc(Cl)cc1 ZINC000004118453 204122612 /nfs/dbraw/zinc/12/26/12/204122612.db2.gz PGWIGYLPUIXBGD-MRXNPFEDSA-N -1 0 369.269 4.953 50 0 FJAARM CC1(C)C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2c3ccccc3ccc21 ZINC000004652836 204152054 /nfs/dbraw/zinc/15/20/54/204152054.db2.gz VJZSQEZLBSSNBX-GOSISDBHSA-N -1 0 357.409 4.921 50 0 FJAARM Cc1cc(C)c2nc(-c3cccc(Br)c3)cc(C(=O)[O-])c2c1 ZINC000004651887 204152240 /nfs/dbraw/zinc/15/22/40/204152240.db2.gz DEMODZFUXXBGSV-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM Cc1cc(C)c2nc(-c3ccc(Br)cc3)cc(C(=O)[O-])c2c1 ZINC000004651885 204152251 /nfs/dbraw/zinc/15/22/51/204152251.db2.gz GBORHFHYPAQPQQ-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM Cc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000004859678 204170112 /nfs/dbraw/zinc/17/01/12/204170112.db2.gz ZPOMRVLYWGBIKB-UHFFFAOYSA-N -1 0 355.390 4.813 50 0 FJAARM CC(=O)O[C@@H]1C[C@@]23C[C@]1(C)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000004731323 204159256 /nfs/dbraw/zinc/15/92/56/204159256.db2.gz CSADACRWWVVNQF-QIVLDXRCSA-N -1 0 362.510 4.806 50 0 FJAARM O=C([O-])c1ccccc1C(=O)O[C@H]1Cc2ccc(cc2)CCc2ccc1cc2 ZINC000004788210 204163932 /nfs/dbraw/zinc/16/39/32/204163932.db2.gz MMUHEXGGDHKTCB-QFIPXVFZSA-N -1 0 372.420 4.624 50 0 FJAARM O=c1nc(-c2ccc(Cl)cc2)nc(SCc2ccccc2Cl)[n-]1 ZINC000005176237 204195259 /nfs/dbraw/zinc/19/52/59/204195259.db2.gz PWIBHDUPYJAEGJ-UHFFFAOYSA-N -1 0 364.257 4.843 50 0 FJAARM CCOc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)ccc1OC ZINC000005850997 204227139 /nfs/dbraw/zinc/22/71/39/204227139.db2.gz QEFKKXACUZZJHN-GXDHUFHOSA-N -1 0 369.442 4.719 50 0 FJAARM CC(C)COC(=O)N=c1[n-]nc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000009067012 204352451 /nfs/dbraw/zinc/35/24/51/204352451.db2.gz RZWWVZDNPQHEEP-UHFFFAOYSA-N -1 0 360.266 4.640 50 0 FJAARM O=C([O-])c1cc(/C=C/c2cccs2)nc2ccc(Br)cc21 ZINC000021956275 204765641 /nfs/dbraw/zinc/76/56/41/204765641.db2.gz SJOZRJUFOKUWMW-SNAWJCMRSA-N -1 0 360.232 4.927 50 0 FJAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc1 ZINC000046076744 205131147 /nfs/dbraw/zinc/13/11/47/205131147.db2.gz WMHLNKLKIUYZHK-AWEZNQCLSA-N -1 0 367.401 4.727 50 0 FJAARM CCOc1ccc(-c2csc3c2[n-]c(SC)nc3=O)cc1OCC ZINC000062591981 205291155 /nfs/dbraw/zinc/29/11/55/205291155.db2.gz FVXIRNLMLOAQQH-UHFFFAOYSA-N -1 0 362.476 4.583 50 0 FJAARM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000064747837 205303723 /nfs/dbraw/zinc/30/37/23/205303723.db2.gz NRLDVZPXFPWNMX-UHFFFAOYSA-N -1 0 370.546 4.659 50 0 FJAARM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)c1 ZINC000064820513 205306156 /nfs/dbraw/zinc/30/61/56/205306156.db2.gz JIKIGLIHAOVGGN-UHFFFAOYSA-N -1 0 374.440 4.582 50 0 FJAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1 ZINC000065004092 205314180 /nfs/dbraw/zinc/31/41/80/205314180.db2.gz WFHKXYQNVTXHDH-UHFFFAOYSA-N -1 0 374.487 4.698 50 0 FJAARM O=C([O-])c1ccc([C@@H]2CCN(c3ccc4cc(Cl)ccc4n3)C2)cc1 ZINC000077377424 205592296 /nfs/dbraw/zinc/59/22/96/205592296.db2.gz SLJMBCLBGLKMRS-MRXNPFEDSA-N -1 0 352.821 4.580 50 0 FJAARM COc1ccc2nc([N-]c3nc4ccc(NC(C)=O)cc4s3)sc2c1 ZINC000004137728 206170984 /nfs/dbraw/zinc/17/09/84/206170984.db2.gz WQYKAMXIXRAOBN-UHFFFAOYSA-N -1 0 370.459 4.617 50 0 FJAARM CC(C)c1ccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)c(C(C)C)c1 ZINC000006589168 206201697 /nfs/dbraw/zinc/20/16/97/206201697.db2.gz OEFOVZILKGLXIO-UHFFFAOYSA-N -1 0 369.417 4.613 50 0 FJAARM O=C([O-])c1cccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000000641386 206224218 /nfs/dbraw/zinc/22/42/18/206224218.db2.gz BHMIPYZRDQYTNQ-UHFFFAOYSA-N -1 0 359.596 4.989 50 0 FJAARM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)on1 ZINC000155321277 206221970 /nfs/dbraw/zinc/22/19/70/206221970.db2.gz RYQJJYFWMZPQCY-SECBINFHSA-N -1 0 362.842 4.612 50 0 FJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(OC)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492353 211283866 /nfs/dbraw/zinc/28/38/66/211283866.db2.gz UUMQOWNCIUJYIN-UHFFFAOYSA-N -1 0 373.412 4.561 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3ccccc3Cl)c2=O)c1-c1ccccc1 ZINC000018222468 211196467 /nfs/dbraw/zinc/19/64/67/211196467.db2.gz FJVNROFASJXVQQ-UHFFFAOYSA-N -1 0 363.848 4.551 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccccc1F ZINC000015081544 211121429 /nfs/dbraw/zinc/12/14/29/211121429.db2.gz WHLBRBOSQUMXHJ-ZDUSSCGKSA-N -1 0 367.401 4.727 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1cccc(O)c1 ZINC000015082267 211120983 /nfs/dbraw/zinc/12/09/83/211120983.db2.gz ALGTZIVRKUIJIA-AWEZNQCLSA-N -1 0 365.410 4.943 50 0 FJAARM CCOC(=O)c1oc2ccc(Cl)cc2c1CNc1ccccc1C(=O)[O-] ZINC000015017728 211114767 /nfs/dbraw/zinc/11/47/67/211114767.db2.gz RQQJEYGEDBKSOL-UHFFFAOYSA-N -1 0 373.792 4.573 50 0 FJAARM CCOc1ccc(-n2c(=S)[n-]nc2-c2cc(Cl)ccc2OC)cc1 ZINC000013547454 211039892 /nfs/dbraw/zinc/03/98/92/211039892.db2.gz AXHIXFZNDWTLFW-UHFFFAOYSA-N -1 0 361.854 4.658 50 0 FJAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc2c(c1)OCO2 ZINC000003885046 210497067 /nfs/dbraw/zinc/49/70/67/210497067.db2.gz UCULWJOGCNNOQC-GXDHUFHOSA-N -1 0 359.381 4.539 50 0 FJAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002137138 210379864 /nfs/dbraw/zinc/37/98/64/210379864.db2.gz WKCPIBFTVGPWMQ-UHFFFAOYSA-N -1 0 362.381 4.840 50 0 FJAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000001397657 210348526 /nfs/dbraw/zinc/34/85/26/210348526.db2.gz LGSXJUDEOUVXHL-CQSZACIVSA-N -1 0 367.626 4.544 50 0 FJAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1c(Cl)cccc1Cl ZINC000001135630 210323467 /nfs/dbraw/zinc/32/34/67/210323467.db2.gz QUXUMFFJRMOHMV-UHFFFAOYSA-N -1 0 370.179 4.813 50 0 FJAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(C)cc1Cl ZINC000001068900 210311646 /nfs/dbraw/zinc/31/16/46/210311646.db2.gz WRXADEAXVDNZJT-UHFFFAOYSA-N -1 0 363.788 4.776 50 0 FJAARM CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000071279612 221336731 /nfs/dbraw/zinc/33/67/31/221336731.db2.gz ZWJBVUIZAGEFGH-CQSZACIVSA-N -1 0 365.389 4.546 50 0 FJAARM CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000071282775 221338076 /nfs/dbraw/zinc/33/80/76/221338076.db2.gz GYGJBCHDHUGJHB-CQSZACIVSA-N -1 0 365.389 4.546 50 0 FJAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)C1 ZINC000064820742 136133979 /nfs/dbraw/zinc/13/39/79/136133979.db2.gz OGJVZZUVFUOTHW-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000253499527 519757953 /nfs/dbraw/zinc/75/79/53/519757953.db2.gz WVHKCBDRQIXZLC-CTZRZKQZSA-N -1 0 360.494 4.582 50 0 FJAARM CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c(C(=O)c5ccccc5)c(O)c4[C@H]1[C@@H]23 ZINC000253388699 560039223 /nfs/dbraw/zinc/03/92/23/560039223.db2.gz BQIVXBUAUNSLAJ-HFZRNFMZSA-N -1 0 364.441 4.630 50 0 biogenic,in-vitro FJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(C)c2)C1 ZINC000033744052 568543468 /nfs/dbraw/zinc/54/34/68/568543468.db2.gz DVZHBPQQXUJZQF-ATVHPVEESA-N -1 0 358.441 4.618 50 0 FJAARM CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4CC[C@H](C(=O)[O-])[C@]4(C)CC[C@@H]32)C1 ZINC000002519638 570523535 /nfs/dbraw/zinc/52/35/35/570523535.db2.gz WVHKCBDRQIXZLC-XMBRYIJQSA-N -1 0 360.494 4.582 50 0 FJAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2cc(Br)ccc2n1 ZINC000002756296 570530830 /nfs/dbraw/zinc/53/08/30/570530830.db2.gz FCTLWADVTIXXBV-UHFFFAOYSA-N -1 0 372.218 4.761 50 0 FJAARM CCCC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004843930 570541805 /nfs/dbraw/zinc/54/18/05/570541805.db2.gz RONWUDVZHQVPNE-HIFRSBDPSA-N -1 0 360.479 4.666 50 0 FJAARM Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1n[nH]c(-c2cccs2)n1 ZINC000005017609 570575388 /nfs/dbraw/zinc/57/53/88/570575388.db2.gz BATNOXOVLRQUJW-LLVKDONJSA-N -1 0 368.487 4.686 50 0 FJAARM Cc1cc(C)c(C(=O)Nc2ccc(C)c(C)c2)c(CC(C)(C)C(=O)[O-])c1 ZINC000004322526 570584778 /nfs/dbraw/zinc/58/47/78/570584778.db2.gz LFGDITRHBKFACX-UHFFFAOYSA-N -1 0 353.462 4.826 50 0 FJAARM O=C([O-])c1ccccc1C(=O)O[C@@H]1Cc2ccc(cc2)CCc2ccc1cc2 ZINC000004788209 570606494 /nfs/dbraw/zinc/60/64/94/570606494.db2.gz MMUHEXGGDHKTCB-JOCHJYFZSA-N -1 0 372.420 4.624 50 0 FJAARM CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000004819502 570608430 /nfs/dbraw/zinc/60/84/30/570608430.db2.gz QHIBJPXOWNXEQL-GFCCVEGCSA-N -1 0 361.825 4.569 50 0 FJAARM CC(=O)c1c([O-])cc(=O)n(-c2ccccc2)c1-c1cccc2ccccc21 ZINC000005408085 570653403 /nfs/dbraw/zinc/65/34/03/570653403.db2.gz KVUSUZUUGHCWEQ-UHFFFAOYSA-N -1 0 355.393 4.566 50 0 FJAARM CCc1cc2c(cc1[O-])oc(C(C)C)c(-c1nc3ccccc3n1C)c2=O ZINC000005444885 570656903 /nfs/dbraw/zinc/65/69/03/570656903.db2.gz KIIKUDJXZVCGRP-UHFFFAOYSA-N -1 0 362.429 4.738 50 0 FJAARM COc1ccc(NC(=O)c2cc(Br)c3ccccc3c2[O-])cc1 ZINC000003149539 570779158 /nfs/dbraw/zinc/77/91/58/570779158.db2.gz FIMBGMIFGDDDAX-UHFFFAOYSA-N -1 0 372.218 4.569 50 0 FJAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1 ZINC000014257066 570816883 /nfs/dbraw/zinc/81/68/83/570816883.db2.gz HRWLCFHZQHJKET-LBPRGKRZSA-N -1 0 353.871 4.663 50 0 FJAARM O=c1[n-]c(Nc2ccc(Nc3ccccc3)cc2)nnc1Cc1ccccc1 ZINC000016777417 570861846 /nfs/dbraw/zinc/86/18/46/570861846.db2.gz OIESPTMOUQLQFL-UHFFFAOYSA-N -1 0 369.428 4.655 50 0 FJAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1nc2ccccc2s1 ZINC000017729191 570873836 /nfs/dbraw/zinc/87/38/36/570873836.db2.gz MZNCHSRVCYMSNV-UHFFFAOYSA-N -1 0 363.316 4.794 50 0 FJAARM CC(C)CN(CC(C)C)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053494 570922020 /nfs/dbraw/zinc/92/20/20/570922020.db2.gz FCIPSISYVRRVFL-UHFFFAOYSA-N -1 0 368.477 4.756 50 0 FJAARM CCCCC(=O)Nc1ccc(N(CC)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000046053303 570922137 /nfs/dbraw/zinc/92/21/37/570922137.db2.gz UWQLKEAZBGXUER-UHFFFAOYSA-N -1 0 354.450 4.540 50 0 FJAARM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc([O-])c(Cl)c1 ZINC000024248103 570973652 /nfs/dbraw/zinc/97/36/52/570973652.db2.gz ZSDQORMWBIUUDF-ZDUSSCGKSA-N -1 0 354.258 4.666 50 0 FJAARM Cc1cccc(-n2nc(-c3cc(F)c(Cl)cc3Cl)cc2C(=O)[O-])c1 ZINC000025781540 571000684 /nfs/dbraw/zinc/00/06/84/571000684.db2.gz HEMGJEQMDBBDMT-UHFFFAOYSA-N -1 0 365.191 4.992 50 0 FJAARM Cc1cc(-c2csc(N[C@H](C)c3ccccc3)n2)c(C)n1CCC(=O)[O-] ZINC000012774240 571093404 /nfs/dbraw/zinc/09/34/04/571093404.db2.gz IMOVVXVQKKLQFX-CQSZACIVSA-N -1 0 369.490 4.876 50 0 FJAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)[O-])CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253615024 571139512 /nfs/dbraw/zinc/13/95/12/571139512.db2.gz SCNWNOJSZNDWCA-UKZQMHIVSA-N -1 0 362.510 4.662 50 0 FJAARM COc1ccc(OC)c(C(=O)c2coc3c2cc([O-])c(Cl)c3Cl)c1 ZINC000000978441 571141598 /nfs/dbraw/zinc/14/15/98/571141598.db2.gz FJALQOWZASPGNS-UHFFFAOYSA-N -1 0 367.184 4.693 50 0 FJAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](c1ccsc1)SC(C)=N2 ZINC000072406461 571147252 /nfs/dbraw/zinc/14/72/52/571147252.db2.gz QBNOZKWTJJECCU-MRXNPFEDSA-N -1 0 369.471 4.827 50 0 FJAARM CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc21 ZINC000004676024 571158018 /nfs/dbraw/zinc/15/80/18/571158018.db2.gz UEYYLZOZZSWWEI-UHFFFAOYSA-N -1 0 352.434 4.644 50 0 FJAARM Cc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2)on1 ZINC000033169522 571162424 /nfs/dbraw/zinc/16/24/24/571162424.db2.gz XDHDZBOPNQUYRU-UHFFFAOYSA-N -1 0 362.476 4.636 50 0 FJAARM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000006344745 571182403 /nfs/dbraw/zinc/18/24/03/571182403.db2.gz DQQFIAODDXJDNJ-UHFFFAOYSA-N -1 0 368.392 4.852 50 0 FJAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012605254 571190332 /nfs/dbraw/zinc/19/03/32/571190332.db2.gz LLNGVXQEJYWUBV-UHFFFAOYSA-N -1 0 363.788 4.776 50 0 FJAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)cs2)cc1 ZINC000033297601 571230892 /nfs/dbraw/zinc/23/08/92/571230892.db2.gz UITXBKLFDBRWAH-UHFFFAOYSA-N -1 0 364.517 4.543 50 0 FJAARM CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000585140397 571232029 /nfs/dbraw/zinc/23/20/29/571232029.db2.gz CXOPHQDZOQCVOK-JTQLQIEISA-N -1 0 363.866 4.867 50 0 FJAARM Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000010028928 571270111 /nfs/dbraw/zinc/27/01/11/571270111.db2.gz VBLDJEHQTRZBBD-UHFFFAOYSA-N -1 0 372.881 4.517 50 0 FJAARM CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)[O-])[C@]4(C)CC[C@@H]32)C1 ZINC000043866889 571308664 /nfs/dbraw/zinc/30/86/64/571308664.db2.gz WVHKCBDRQIXZLC-AZTURTBFSA-N -1 0 360.494 4.582 50 0 FJAARM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000048522801 571308713 /nfs/dbraw/zinc/30/87/13/571308713.db2.gz BAYXFEKXTTUJPE-MRXNPFEDSA-N -1 0 360.409 4.762 50 0 FJAARM O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c2ccc(Cl)cc12 ZINC000008828958 571320849 /nfs/dbraw/zinc/32/08/49/571320849.db2.gz QQMMQQNSXXJWPW-UHFFFAOYSA-N -1 0 359.134 4.916 50 0 FJAARM Cc1ccc(Cl)cc1NC(=O)c1c(C(F)(F)F)n[n-]c1C(F)(F)F ZINC000078964404 571326498 /nfs/dbraw/zinc/32/64/98/571326498.db2.gz MJLNKMOGKVLXMJ-UHFFFAOYSA-N -1 0 371.668 4.661 50 0 FJAARM COc1ccc(S[C@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000079111955 571327100 /nfs/dbraw/zinc/32/71/00/571327100.db2.gz ZUKICBKQGJANLL-SNVBAGLBSA-N -1 0 360.460 4.618 50 0 FJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)[O-])c32)cc1 ZINC000020492325 571329857 /nfs/dbraw/zinc/32/98/57/571329857.db2.gz CZFWMZJOUIQUQZ-UHFFFAOYSA-N -1 0 373.412 4.561 50 0 FJAARM O=C([O-])Cc1csc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000095929443 571332300 /nfs/dbraw/zinc/33/23/00/571332300.db2.gz HHWKYLXAVJLBSV-UHFFFAOYSA-N -1 0 370.274 4.551 50 0 FJAARM O=C(c1cnc2c(c1)COc1ccccc1-2)c1cc(Cl)cc(Cl)c1[O-] ZINC000096562065 571336172 /nfs/dbraw/zinc/33/61/72/571336172.db2.gz QTXFHBTWFXPMHL-UHFFFAOYSA-N -1 0 372.207 4.884 50 0 FJAARM CC(C)Cc1ccc(-c2cc(=O)c3cc(CC(=O)[O-])cc(Cl)c3o2)cc1 ZINC000000623209 219305686 /nfs/dbraw/zinc/30/56/86/219305686.db2.gz FYGZXRDGJNXBRU-UHFFFAOYSA-N -1 0 370.832 4.939 50 0 FJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000000675085 219312146 /nfs/dbraw/zinc/31/21/46/219312146.db2.gz OGFWPHFYEHXELV-UHFFFAOYSA-N -1 0 372.218 4.761 50 0 FJAARM COc1ccc(Cc2n[n-]c(=S)n2-c2ccc(C(C)C)cc2)cc1OC ZINC000001045987 219357666 /nfs/dbraw/zinc/35/76/66/219357666.db2.gz VUPVRESFHVYIHU-UHFFFAOYSA-N -1 0 369.490 4.661 50 0 FJAARM CC(C)C[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002271928 219434555 /nfs/dbraw/zinc/43/45/55/219434555.db2.gz PVRGUGDRQFLDMQ-HIFRSBDPSA-N -1 0 360.479 4.522 50 0 FJAARM CCOc1ccc(Nc2nc(-c3ccc(C)cc3)c(CC(=O)[O-])s2)cc1 ZINC000003648135 219523427 /nfs/dbraw/zinc/52/34/27/219523427.db2.gz WSCCAZITJLVSOY-UHFFFAOYSA-N -1 0 368.458 4.888 50 0 FJAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000004685900 219595634 /nfs/dbraw/zinc/59/56/34/219595634.db2.gz XZQOYSAOYZMONC-CQSZACIVSA-N -1 0 372.635 4.593 50 0 FJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C1c2ccccc2Oc2ccccc21 ZINC000000948667 209384140 /nfs/dbraw/zinc/38/41/40/209384140.db2.gz QHXPMLIGHUTSRD-NRFANRHFSA-N -1 0 354.409 4.963 50 0 FJAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3cc4ccccc4s3)c12 ZINC000299788808 223097410 /nfs/dbraw/zinc/09/74/10/223097410.db2.gz XQLKYUGYJBAFOZ-UHFFFAOYSA-N -1 0 355.444 4.525 50 0 FJAARM O=C([O-])c1cccc2oc(/C=C/c3ccc(OCc4cccnc4)cc3)nc21 ZINC000328593169 223116513 /nfs/dbraw/zinc/11/65/13/223116513.db2.gz OAAKDNDGQOHLNT-DHZHZOJOSA-N -1 0 372.380 4.670 50 0 FJAARM CCc1c(C)nc2c(-c3ccccc3)c(COc3ccccc3)[n-]n2c1=O ZINC000102623031 209239281 /nfs/dbraw/zinc/23/92/81/209239281.db2.gz XPJNFHTVAIRVFF-UHFFFAOYSA-N -1 0 359.429 4.552 50 0 FJAARM O=C(C=C([O-])c1ccc(OCc2c(F)cccc2Cl)cc1)C(F)(F)F ZINC000101175583 209221638 /nfs/dbraw/zinc/22/16/38/209221638.db2.gz OFTCGGIIUHJOIT-UHFFFAOYSA-N -1 0 374.717 4.762 50 0 FJAARM Cc1cc(-c2csc(N[C@@H](C)c3ccccc3)n2)c(C)n1CCC(=O)[O-] ZINC000012774245 220027948 /nfs/dbraw/zinc/02/79/48/220027948.db2.gz IMOVVXVQKKLQFX-AWEZNQCLSA-N -1 0 369.490 4.876 50 0 FJAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2)c1 ZINC000013167855 220060624 /nfs/dbraw/zinc/06/06/24/220060624.db2.gz JNPYZBLSYKSLJP-UHFFFAOYSA-N -1 0 351.789 4.958 50 0 FJAARM C/C(=C\C(=O)[O-])CC[C@H]1[C@](C)(OC=O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000013410052 220067055 /nfs/dbraw/zinc/06/70/55/220067055.db2.gz RAPGMQQTEPEGFO-DZFOVHIKSA-N -1 0 350.499 4.972 50 0 FJAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000096171227 209130563 /nfs/dbraw/zinc/13/05/63/209130563.db2.gz PRNZKCXDOAQMJQ-UHFFFAOYSA-N -1 0 372.259 4.512 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cccs1 ZINC000015082153 220147184 /nfs/dbraw/zinc/14/71/84/220147184.db2.gz PRKBAVPDRQODDQ-LLVKDONJSA-N -1 0 373.430 4.788 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1cccc(F)c1 ZINC000015082696 220147761 /nfs/dbraw/zinc/14/77/61/220147761.db2.gz GBFQMEDWARAEJB-CQSZACIVSA-N -1 0 367.401 4.727 50 0 FJAARM COc1ccc(-c2nc(NC3CCCCC3)sc2CCC(=O)[O-])cc1 ZINC000003200625 206960397 /nfs/dbraw/zinc/96/03/97/206960397.db2.gz JDIWPNRTWVMNKN-UHFFFAOYSA-N -1 0 360.479 4.581 50 0 FJAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc2ccccc2c1 ZINC000004548526 207027185 /nfs/dbraw/zinc/02/71/85/207027185.db2.gz HTOQAJSBFFDWAC-UHFFFAOYSA-N -1 0 351.349 4.659 50 0 FJAARM C[C@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004602055 207032667 /nfs/dbraw/zinc/03/26/67/207032667.db2.gz GOONKHBSKADUIL-BXUZGUMPSA-N -1 0 366.244 4.827 50 0 FJAARM O=C([O-])c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000004649199 207033323 /nfs/dbraw/zinc/03/33/23/207033323.db2.gz MXFXJFOXSPVTHA-UHFFFAOYSA-N -1 0 370.257 4.564 50 0 FJAARM O=C([O-])c1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000004839166 207053768 /nfs/dbraw/zinc/05/37/68/207053768.db2.gz FZXHDTZHKDETFX-UHFFFAOYSA-N -1 0 351.333 4.569 50 0 FJAARM Cc1ccc(CSc2nc(=O)c3sc4nc(C)cc(C)c4c3[n-]2)cc1 ZINC000005646468 207110883 /nfs/dbraw/zinc/11/08/83/207110883.db2.gz WXRGBIFCPCIXLW-UHFFFAOYSA-N -1 0 367.499 4.750 50 0 FJAARM O=S(=O)([N-]c1cccc2ccccc21)c1cccc(Cl)c1Cl ZINC000006317234 207137341 /nfs/dbraw/zinc/13/73/41/207137341.db2.gz VCQFXNIDGRLFTD-UHFFFAOYSA-N -1 0 352.242 4.947 50 0 FJAARM COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1OC ZINC000006865375 207173157 /nfs/dbraw/zinc/17/31/57/207173157.db2.gz CDKSWFFCJXMRMR-SDNWHVSQSA-N -1 0 369.442 4.719 50 0 FJAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000008130045 207220898 /nfs/dbraw/zinc/22/08/98/207220898.db2.gz JWQDEPDPMKKZMA-UHFFFAOYSA-N -1 0 363.788 4.722 50 0 FJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C)s2)C1 ZINC000032642190 208036102 /nfs/dbraw/zinc/03/61/02/208036102.db2.gz KFJHIVVWZSGNEF-GXDHUFHOSA-N -1 0 364.470 4.679 50 0 FJAARM COc1ccc(-c2n[n-]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000032919394 208056363 /nfs/dbraw/zinc/05/63/63/208056363.db2.gz ORYCFJMDMRUBLG-UHFFFAOYSA-N -1 0 367.352 4.504 50 0 FJAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1 ZINC000040451257 208254565 /nfs/dbraw/zinc/25/45/65/208254565.db2.gz MOKIYLJPWZICNR-QGZVFWFLSA-N -1 0 373.408 4.583 50 0 FJAARM CCCN(CCC)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000046053375 208356730 /nfs/dbraw/zinc/35/67/30/208356730.db2.gz PFNAZMSAFRUDDC-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCCCC1 ZINC000046053400 208357628 /nfs/dbraw/zinc/35/76/28/208357628.db2.gz VNMSBAOQHCTJMY-UHFFFAOYSA-N -1 0 372.852 4.671 50 0 FJAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076993 208357951 /nfs/dbraw/zinc/35/79/51/208357951.db2.gz MKBZQOHNVDSNSD-OAHLLOKOSA-N -1 0 367.401 4.727 50 0 FJAARM COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OCCC(=O)[O-] ZINC000096010314 209096299 /nfs/dbraw/zinc/09/62/99/209096299.db2.gz PXBXEFIUYVKPSY-XVNBXDOJSA-N -1 0 373.792 4.514 50 0 FJAARM Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795247 221152915 /nfs/dbraw/zinc/15/29/15/221152915.db2.gz WTKMWQKJYWZPQQ-HNNXBMFYSA-N -1 0 363.438 4.896 50 0 FJAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2ccsc2)cc1 ZINC000064796227 221152995 /nfs/dbraw/zinc/15/29/95/221152995.db2.gz ICGLQUWGVJHEDZ-ZDUSSCGKSA-N -1 0 369.467 4.957 50 0 FJAARM Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2C(=O)CCCC(=O)[O-] ZINC000004313932 132386910 /nfs/dbraw/zinc/38/69/10/132386910.db2.gz IDXLBSTUJMLQJZ-WMZOPIPTSA-N -1 0 351.446 4.507 50 0 FJAARM C[C@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)C1 ZINC000064588745 136133295 /nfs/dbraw/zinc/13/32/95/136133295.db2.gz KHJLKEGKFQHBPF-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000064820341 136133840 /nfs/dbraw/zinc/13/38/40/136133840.db2.gz PATPNCSPZUBJIV-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM Cc1ccc(-c2csc(SCc3nc(=O)c4sccc4[n-]3)n2)cc1 ZINC000009058072 525783429 /nfs/dbraw/zinc/78/34/29/525783429.db2.gz FTILXPYJAUQAES-UHFFFAOYSA-N -1 0 371.512 4.709 50 0 FJAARM COc1cc(CNc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000000679353 570448224 /nfs/dbraw/zinc/44/82/24/570448224.db2.gz CCVMJYFQXUYSEC-UHFFFAOYSA-N -1 0 363.413 4.585 50 0 FJAARM O=C([O-])c1c(Br)c2ccccc2c(Cl)c1C(F)(F)F ZINC000095611724 570470315 /nfs/dbraw/zinc/47/03/15/570470315.db2.gz BCPFBEMDAXRNAL-UHFFFAOYSA-N -1 0 353.521 4.973 50 0 FJAARM Cc1c(Cl)cccc1NC(=O)[C@@H](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000001171967 570487328 /nfs/dbraw/zinc/48/73/28/570487328.db2.gz WCYGUXMNQWIJOV-CYBMUJFWSA-N -1 0 366.244 4.574 50 0 FJAARM O=C([O-])c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000001175648 570488124 /nfs/dbraw/zinc/48/81/24/570488124.db2.gz NIXKHMFOWNKKTK-UHFFFAOYSA-N -1 0 362.335 4.940 50 0 FJAARM O=S(=O)([N-]c1cccc2ccccc21)c1cc(Cl)ccc1Cl ZINC000001205704 570492413 /nfs/dbraw/zinc/49/24/13/570492413.db2.gz AVWZDSNQQADYRF-UHFFFAOYSA-N -1 0 352.242 4.947 50 0 FJAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000001397658 570498550 /nfs/dbraw/zinc/49/85/50/570498550.db2.gz LGSXJUDEOUVXHL-AWEZNQCLSA-N -1 0 367.626 4.544 50 0 FJAARM O=C([O-])CCCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002242952 570517722 /nfs/dbraw/zinc/51/77/22/570517722.db2.gz VBOODLAPYQEPDB-UHFFFAOYSA-N -1 0 356.262 4.942 50 0 FJAARM Cc1cc(C)c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000002549899 570524344 /nfs/dbraw/zinc/52/43/44/570524344.db2.gz TXWVZFGUGOCCSU-UHFFFAOYSA-N -1 0 368.311 4.544 50 0 FJAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000002882067 570542395 /nfs/dbraw/zinc/54/23/95/570542395.db2.gz UDAWVHFSOVLDOH-UHFFFAOYSA-N -1 0 367.898 4.971 50 0 FJAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@H](c1ccsc1)SC(C)=N2 ZINC000072406462 570553388 /nfs/dbraw/zinc/55/33/88/570553388.db2.gz QBNOZKWTJJECCU-INIZCTEOSA-N -1 0 369.471 4.827 50 0 FJAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1c(Cl)cccc1Cl ZINC000004062770 570574672 /nfs/dbraw/zinc/57/46/72/570574672.db2.gz OOKBVRBBJUZQSS-UHFFFAOYSA-N -1 0 352.242 4.947 50 0 FJAARM CCCCN(CC)c1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000005024564 570575835 /nfs/dbraw/zinc/57/58/35/570575835.db2.gz OMALIHRRGXSNHV-UHFFFAOYSA-N -1 0 351.450 4.637 50 0 FJAARM CSc1cccc(NC(=O)c2c(C)cc(C)cc2CC(C)(C)C(=O)[O-])c1 ZINC000004322501 570584721 /nfs/dbraw/zinc/58/47/21/570584721.db2.gz LKRRJDBAAOFMBM-UHFFFAOYSA-N -1 0 371.502 4.931 50 0 FJAARM O=c1cc([O-])c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2[nH]1 ZINC000005491491 570628280 /nfs/dbraw/zinc/62/82/80/570628280.db2.gz FNBUNMGBYSZVCD-UHFFFAOYSA-N -1 0 362.332 4.942 50 0 FJAARM Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)c1 ZINC000005578514 570631231 /nfs/dbraw/zinc/63/12/31/570631231.db2.gz NJVTVEKACHIZIK-UHFFFAOYSA-N -1 0 350.292 4.927 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1Cl)NC(=O)C[C@@H]2c1ccco1 ZINC000061719225 570632318 /nfs/dbraw/zinc/63/23/18/570632318.db2.gz NZAYMFVFTKXHNX-SNVBAGLBSA-N -1 0 373.817 4.834 50 0 FJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(C)ccc2C)C1 ZINC000006429674 570646922 /nfs/dbraw/zinc/64/69/22/570646922.db2.gz RUULSDMCHRMINI-LDADJPATSA-N -1 0 372.468 4.926 50 0 FJAARM COc1cccc(-n2c(=S)[n-]nc2[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000005423633 570654096 /nfs/dbraw/zinc/65/40/96/570654096.db2.gz HYWPIDHLCBKOFI-JKSUJKDBSA-N -1 0 357.866 4.863 50 0 FJAARM COc1cccc(-n2c(=S)[n-]nc2[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000005423629 570654263 /nfs/dbraw/zinc/65/42/63/570654263.db2.gz HYWPIDHLCBKOFI-HZPDHXFCSA-N -1 0 357.866 4.863 50 0 FJAARM COc1cc(/C=C/C(=O)[O-])ccc1OCCCCSc1ccccc1 ZINC000006793342 570654387 /nfs/dbraw/zinc/65/43/87/570654387.db2.gz YDMRLBJBHFFAAS-ZRDIBKRKSA-N -1 0 358.459 4.744 50 0 FJAARM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1cccs1)C[C@H](C)CC3 ZINC000005516180 570666264 /nfs/dbraw/zinc/66/62/64/570666264.db2.gz FTRQJOOKNNXZIC-LLVKDONJSA-N -1 0 361.488 4.728 50 0 FJAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000005601779 570680263 /nfs/dbraw/zinc/68/02/63/570680263.db2.gz QKSJPOPQAUFSEZ-JKSUJKDBSA-N -1 0 372.490 4.565 50 0 FJAARM Cc1cc(C)c2nc(-c3ccccc3Br)cc(C(=O)[O-])c2c1 ZINC000004652010 570774588 /nfs/dbraw/zinc/77/45/88/570774588.db2.gz OPYHJTXXCVFDRJ-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM CC[C@H](C)SC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1 ZINC000013774641 570790572 /nfs/dbraw/zinc/79/05/72/570790572.db2.gz JJZQZFSMBWLKBC-AWEZNQCLSA-N -1 0 366.486 4.546 50 0 FJAARM O=C([O-])CCCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017075253 570867319 /nfs/dbraw/zinc/86/73/19/570867319.db2.gz YYBFIRTWNJSPIB-UHFFFAOYSA-N -1 0 366.442 4.671 50 0 FJAARM Cc1sc(NC(=O)C[C@H](C)CC(=O)[O-])nc1-c1ccc(C(C)(C)C)cc1 ZINC000017076667 570868263 /nfs/dbraw/zinc/86/82/63/570868263.db2.gz IJTMRWAXJNHYLA-LBPRGKRZSA-N -1 0 374.506 4.855 50 0 FJAARM CCCN(CCC)c1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000046053370 570922058 /nfs/dbraw/zinc/92/20/58/570922058.db2.gz YYDOLEUUNOIRNC-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)c(Cl)c(=O)n2[n-]1 ZINC000008580428 571051058 /nfs/dbraw/zinc/05/10/58/571051058.db2.gz GGKFHDLXEDMNNC-UHFFFAOYSA-N -1 0 358.854 4.533 50 0 aggregator FJAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000000753318 571054843 /nfs/dbraw/zinc/05/48/43/571054843.db2.gz GIZYLASSJPLDNE-UHFFFAOYSA-N -1 0 370.179 4.813 50 0 FJAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000004592831 571062285 /nfs/dbraw/zinc/06/22/85/571062285.db2.gz IXBSEHDKONLMGO-QZTJIDSGSA-N -1 0 371.820 4.738 50 0 FJAARM O=C([O-])c1ccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000008843823 571062827 /nfs/dbraw/zinc/06/28/27/571062827.db2.gz GNYNNHSMEJVYSL-UHFFFAOYSA-N -1 0 369.804 4.870 50 0 FJAARM O=C([O-])c1cnccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000945304 571069338 /nfs/dbraw/zinc/06/93/38/571069338.db2.gz LQENVHMXETWVDQ-UHFFFAOYSA-N -1 0 373.437 4.988 50 0 FJAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2C(=O)[O-])cc1 ZINC000004012740 571071933 /nfs/dbraw/zinc/07/19/33/571071933.db2.gz DWFYXILMWNVSHQ-QFIPXVFZSA-N -1 0 372.424 4.749 50 0 FJAARM CC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000004602088 571108067 /nfs/dbraw/zinc/10/80/67/571108067.db2.gz QXQWIRAOTVDXJI-KRWDZBQOSA-N -1 0 359.853 4.583 50 0 FJAARM O=C([O-])C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000004653311 571154570 /nfs/dbraw/zinc/15/45/70/571154570.db2.gz FOXQGYSHXYXXQY-CYBMUJFWSA-N -1 0 372.635 4.593 50 0 FJAARM O=C([O-])CCCC(=O)N(c1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000075273457 571159219 /nfs/dbraw/zinc/15/92/19/571159219.db2.gz ZDOHVOFYUKUSBE-UHFFFAOYSA-N -1 0 366.442 4.730 50 0 FJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(C)c1 ZINC000006315782 571177383 /nfs/dbraw/zinc/17/73/83/571177383.db2.gz YANQQHMZHBRNCP-UHFFFAOYSA-N -1 0 374.687 4.520 50 0 FJAARM O=C([O-])CCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000012979793 571180148 /nfs/dbraw/zinc/18/01/48/571180148.db2.gz LLKYDWLCSDFBOU-UHFFFAOYSA-N -1 0 365.882 4.833 50 0 FJAARM CCc1ccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)s1 ZINC000006710300 571243043 /nfs/dbraw/zinc/24/30/43/571243043.db2.gz RKOFWCKWXBLGRL-UHFFFAOYSA-N -1 0 362.248 4.986 50 0 FJAARM Cc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@@H]3c2ccsc2)cc1 ZINC000064796231 571243191 /nfs/dbraw/zinc/24/31/91/571243191.db2.gz ICGLQUWGVJHEDZ-CYBMUJFWSA-N -1 0 369.467 4.957 50 0 FJAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)c(C)c1 ZINC000006844319 571250462 /nfs/dbraw/zinc/25/04/62/571250462.db2.gz PELLLQYTHGDVIE-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000007052198 571259462 /nfs/dbraw/zinc/25/94/62/571259462.db2.gz APDGVMYUUZGXAV-UHFFFAOYSA-N -1 0 374.687 4.520 50 0 FJAARM Cc1oc(-c2ccccc2)nc1COc1ccc(C2CC(C(=O)[O-])C2)cc1 ZINC000170091407 571262379 /nfs/dbraw/zinc/26/23/79/571262379.db2.gz FJXIYDOLMKQUSJ-UHFFFAOYSA-N -1 0 363.413 4.807 50 0 FJAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000170591286 571266146 /nfs/dbraw/zinc/26/61/46/571266146.db2.gz GULXEYVMEVZLMY-SUMWQHHRSA-N -1 0 366.244 4.805 50 0 FJAARM O=c1c(Sc2ccccc2)c([O-])nc(-c2ccccc2)n1-c1ccccc1 ZINC000017111998 571275108 /nfs/dbraw/zinc/27/51/08/571275108.db2.gz BDAYHBSWELHLSH-UHFFFAOYSA-N -1 0 372.449 4.756 50 0 FJAARM COc1cccc(-c2nc3ccccc3c(N(C)C3CCCCC3)n2)c1[O-] ZINC000002238160 571293246 /nfs/dbraw/zinc/29/32/46/571293246.db2.gz SMNZMUDNYWPHSS-UHFFFAOYSA-N -1 0 363.461 4.780 50 0 FJAARM CC(=Cc1ccc(N[N+](=O)c2ccc(C=C(C)C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000003848661 571307911 /nfs/dbraw/zinc/30/79/11/571307911.db2.gz RJTGTIAFUNVMMN-KERUWVNQSA-N -1 0 366.373 4.588 50 0 FJAARM Cc1cc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2cc1[O-] ZINC000048554194 571309024 /nfs/dbraw/zinc/30/90/24/571309024.db2.gz RUMNYPOWXOSZBI-UHFFFAOYSA-N -1 0 354.255 4.757 50 0 FJAARM CCOP(=O)(OCC)[C@H](Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000002316924 571317625 /nfs/dbraw/zinc/31/76/25/571317625.db2.gz WWDPGTPOIIDRCO-KRWDZBQOSA-N -1 0 363.350 4.762 50 0 FJAARM CCc1ccc(-c2[nH]nc3nc(-c4cccc(F)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492333 571329847 /nfs/dbraw/zinc/32/98/47/571329847.db2.gz GKIRUVMTAATIQP-UHFFFAOYSA-N -1 0 361.376 4.692 50 0 FJAARM COc1cccc2sc([N-]c3nnc(-c4ccc(Cl)cc4)o3)nc21 ZINC000004137650 571355923 /nfs/dbraw/zinc/35/59/23/571355923.db2.gz DEMPOLWCUUPIOP-UHFFFAOYSA-N -1 0 358.810 4.752 50 0 FJAARM O=C([O-])c1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622112 219305818 /nfs/dbraw/zinc/30/58/18/219305818.db2.gz CNAVPEPPAVHHKN-UHFFFAOYSA-N -1 0 359.381 4.746 50 0 FJAARM CCc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000000672163 219311430 /nfs/dbraw/zinc/31/14/30/219311430.db2.gz KLSFLDKXKIJXBG-UHFFFAOYSA-N -1 0 356.219 4.925 50 0 FJAARM COc1cccc(Nc2c(C(=O)[O-])cnc3c2cccc3C(F)(F)F)c1 ZINC000000937677 219343634 /nfs/dbraw/zinc/34/36/34/219343634.db2.gz WKLWAAXVVQSQGP-UHFFFAOYSA-N -1 0 362.307 4.704 50 0 FJAARM O=C([O-])CC1(CC(=O)NCc2ccc(-c3cccs3)cc2)CCCCC1 ZINC000001025526 219353710 /nfs/dbraw/zinc/35/37/10/219353710.db2.gz XNTWJMJXMUOEAK-UHFFFAOYSA-N -1 0 371.502 4.847 50 0 FJAARM O=C1CC[C@H](c2ccccc2)C(=O)C1=C([O-])c1ccc(Cl)cc1Cl ZINC000001038590 219356552 /nfs/dbraw/zinc/35/65/52/219356552.db2.gz IGEOSXNEZHLFIR-CXAGYDPISA-N -1 0 361.224 4.508 50 0 FJAARM O=C1S/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(=O)N1c1ccccc1 ZINC000001091266 219368912 /nfs/dbraw/zinc/36/89/12/219368912.db2.gz XFNLVHMZPNIKKD-QPEQYQDCSA-N -1 0 366.225 4.940 50 0 FJAARM O=C([O-])[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1 ZINC000001168491 219384598 /nfs/dbraw/zinc/38/45/98/219384598.db2.gz HARVQWZXNSNBQV-JOCHJYFZSA-N -1 0 372.376 4.665 50 0 FJAARM C[C@@H]1CC(C)(C)C[C@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)[O-])C1 ZINC000004092770 219542486 /nfs/dbraw/zinc/54/24/86/219542486.db2.gz QQLVXYUIIGTHTC-XIKOKIGWSA-N -1 0 371.399 4.951 50 0 FJAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004325235 219565298 /nfs/dbraw/zinc/56/52/98/219565298.db2.gz UBQGNGFDBFSKDU-FQEVSTJZSA-N -1 0 359.425 4.941 50 0 FJAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004325236 219565569 /nfs/dbraw/zinc/56/55/69/219565569.db2.gz UBQGNGFDBFSKDU-HXUWFJFHSA-N -1 0 359.425 4.941 50 0 FJAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)[O-])[C@]4(C)CC[C@H]32)C1 ZINC000253497495 222991678 /nfs/dbraw/zinc/99/16/78/222991678.db2.gz WVHKCBDRQIXZLC-NFSHQBGTSA-N -1 0 360.494 4.582 50 0 FJAARM Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)c1 ZINC000005488787 219683381 /nfs/dbraw/zinc/68/33/81/219683381.db2.gz KVUPCMOXROJXJM-UHFFFAOYSA-N -1 0 350.292 4.927 50 0 FJAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000005601761 219691138 /nfs/dbraw/zinc/69/11/38/219691138.db2.gz QKSJPOPQAUFSEZ-CVEARBPZSA-N -1 0 372.490 4.565 50 0 FJAARM COc1cc(/C=C\C(=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000006090290 209505414 /nfs/dbraw/zinc/50/54/14/209505414.db2.gz SUDRNMNLHLDRNO-VURMDHGXSA-N -1 0 353.201 4.679 50 0 FJAARM COc1ccc(-n2c(=S)[n-]nc2[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000007275923 219798167 /nfs/dbraw/zinc/79/81/67/219798167.db2.gz QKLMFWKDGOWBSV-HOTGVXAUSA-N -1 0 357.866 4.863 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3cccc(Cl)c3)c2=O)c1-c1ccccc1 ZINC000102734513 209241387 /nfs/dbraw/zinc/24/13/87/209241387.db2.gz LFEPPUARXVRGEQ-UHFFFAOYSA-N -1 0 363.848 4.963 50 0 FJAARM Cc1cc(-c2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccccc2)n1 ZINC000100334490 209213473 /nfs/dbraw/zinc/21/34/73/209213473.db2.gz GADSUBGTXXYTFE-UHFFFAOYSA-N -1 0 364.836 4.701 50 0 FJAARM Cc1[n-]n2c(nc(-c3ccc4ccccc4c3)cc2=O)c1-c1ccccc1 ZINC000012652907 220015933 /nfs/dbraw/zinc/01/59/33/220015933.db2.gz OZTNLSWUITVCKM-UHFFFAOYSA-N -1 0 351.409 4.818 50 0 FJAARM O=C([O-])c1sccc1Oc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000012959064 220046340 /nfs/dbraw/zinc/04/63/40/220046340.db2.gz PJEMSEBOWVMKSR-UHFFFAOYSA-N -1 0 357.362 4.630 50 0 FJAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000013042058 220056718 /nfs/dbraw/zinc/05/67/18/220056718.db2.gz CENLUIIBSPEPGB-UHFFFAOYSA-N -1 0 363.788 4.776 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1cccs1 ZINC000015084908 220147072 /nfs/dbraw/zinc/14/70/72/220147072.db2.gz MUIPPZKKULZOGC-NSHDSACASA-N -1 0 355.440 4.649 50 0 FJAARM CC(C)Cn1c2ccccc2nc1[C@H](CNc1ccc(F)cc1)CC(=O)[O-] ZINC000017113354 220204730 /nfs/dbraw/zinc/20/47/30/220204730.db2.gz JAJGACUCICOUHU-HNNXBMFYSA-N -1 0 369.440 4.502 50 0 FJAARM O=C([O-])CCn1c2ccccc2nc1SCc1cccc2ccccc21 ZINC000000799508 206831667 /nfs/dbraw/zinc/83/16/67/206831667.db2.gz KSTWFDOHGMGHHK-UHFFFAOYSA-N -1 0 362.454 4.957 50 0 FJAARM Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000004593175 207030737 /nfs/dbraw/zinc/03/07/37/207030737.db2.gz UYCYKBRZXGOMPH-PMACEKPBSA-N -1 0 365.429 4.701 50 0 FJAARM O=C([O-])c1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1Cl ZINC000004807514 207049133 /nfs/dbraw/zinc/04/91/33/207049133.db2.gz HVSHAPWLKSGSDW-UHFFFAOYSA-N -1 0 371.845 4.922 50 0 FJAARM O=C([O-])C/C(=C\c1ccccc1OC(F)F)c1nc2ccccc2s1 ZINC000005130976 207083887 /nfs/dbraw/zinc/08/38/87/207083887.db2.gz MBWNDCJMPINUIP-FMIVXFBMSA-N -1 0 361.369 4.913 50 0 FJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)N(O)c1ccccc1 ZINC000005306500 207093091 /nfs/dbraw/zinc/09/30/91/207093091.db2.gz YAMYXDXWQAYIBN-VXKWHMMOSA-N -1 0 371.440 4.662 50 0 FJAARM O=S(=O)([N-]c1c2ccccc2nc2c1CCCC2)c1cccc(Cl)c1 ZINC000005602106 207107985 /nfs/dbraw/zinc/10/79/85/207107985.db2.gz VZCRVWJZAQVDPB-UHFFFAOYSA-N -1 0 372.877 4.568 50 0 FJAARM Cc1cc2oc(-c3ccccc3Cl)c(O[C@@H](C)C(=O)[O-])c(=O)c2cc1C ZINC000005580115 207108091 /nfs/dbraw/zinc/10/80/91/207108091.db2.gz YSNGWXLFGHHFDO-LBPRGKRZSA-N -1 0 372.804 4.582 50 0 FJAARM O=c1c2ccccc2[n-]c(=S)n1CCc1ccc(Cl)cc1Cl ZINC000005827645 207117487 /nfs/dbraw/zinc/11/74/87/207117487.db2.gz KNJLKTJZUJZPEG-UHFFFAOYSA-N -1 0 351.258 4.609 50 0 FJAARM Cc1ccc(-c2[nH]nc3nc(-c4ccccc4Cl)cc(C(=O)[O-])c32)cc1 ZINC000006748971 207159847 /nfs/dbraw/zinc/15/98/47/207159847.db2.gz BQFVZXQCGIKKEM-UHFFFAOYSA-N -1 0 363.804 4.952 50 0 FJAARM COc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)cc(Cl)c1O ZINC000007813585 207208442 /nfs/dbraw/zinc/20/84/42/207208442.db2.gz MOHPATRPLWJMGH-GFCCVEGCSA-N -1 0 355.821 4.698 50 0 FJAARM CC(C)c1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[n-]2)cc1 ZINC000009669166 207281873 /nfs/dbraw/zinc/28/18/73/207281873.db2.gz BCWPBPKXNNKUEJ-UHFFFAOYSA-N -1 0 354.841 4.688 50 0 FJAARM Cc1sc(NC(=O)C[C@@H](C)CC(=O)[O-])nc1-c1ccc(C(C)(C)C)cc1 ZINC000017076666 207610849 /nfs/dbraw/zinc/61/08/49/207610849.db2.gz IJTMRWAXJNHYLA-GFCCVEGCSA-N -1 0 374.506 4.855 50 0 FJAARM O=C(Nc1ccc(Br)cc1Cl)c1cc(Cl)ccc1[O-] ZINC000037389445 208179793 /nfs/dbraw/zinc/17/97/93/208179793.db2.gz UOPADSHREFFSQC-UHFFFAOYSA-N -1 0 361.022 4.714 50 0 FJAARM O=C([O-])c1cc(/C=C/c2csc(-c3ccccn3)n2)nc2ccccc21 ZINC000044024295 208310036 /nfs/dbraw/zinc/31/00/36/208310036.db2.gz BNRIWRASFXSGBM-CMDGGOBGSA-N -1 0 359.410 4.622 50 0 FJAARM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCCCC1 ZINC000046053398 208357117 /nfs/dbraw/zinc/35/71/17/208357117.db2.gz ZSZZYNSYWQYNOB-UHFFFAOYSA-N -1 0 372.852 4.671 50 0 FJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1cccs1 ZINC000064797628 208622178 /nfs/dbraw/zinc/62/21/78/208622178.db2.gz VZLKFRSRQATNQD-LLVKDONJSA-N -1 0 373.430 4.788 50 0 FJAARM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc([O-])c(Cl)c1 ZINC000021205611 220354342 /nfs/dbraw/zinc/35/43/42/220354342.db2.gz BKKBRMNKHYNJQZ-UHFFFAOYSA-N -1 0 359.809 4.730 50 0 FJAARM Cc1ccc2nc(C(=O)[O-])cc(OCc3cccc(C(F)(F)F)c3)c2c1 ZINC000067341741 208703778 /nfs/dbraw/zinc/70/37/78/208703778.db2.gz HTFCENFVMAVAPV-UHFFFAOYSA-N -1 0 361.319 4.839 50 0 FJAARM O=C([O-])C/C(=C/c1ccc(Br)s1)c1nc2ccccc2o1 ZINC000021865808 220369168 /nfs/dbraw/zinc/36/91/68/220369168.db2.gz XQKNOYKSDOOKGI-CLFYSBASSA-N -1 0 364.220 4.667 50 0 FJAARM CC(C)c1ccc([C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c2cccs2)cc1 ZINC000029010976 220591138 /nfs/dbraw/zinc/59/11/38/220591138.db2.gz CSOBYKVVMICRAY-HXUWFJFHSA-N -1 0 373.518 4.968 50 0 FJAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3C2CCCCC2)cc1 ZINC000095480297 209060379 /nfs/dbraw/zinc/06/03/79/209060379.db2.gz ZNRQHAZHUKMEPY-QGZVFWFLSA-N -1 0 371.462 4.527 50 0 FJAARM Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2C(=O)CCCC(=O)[O-] ZINC000004313935 132386831 /nfs/dbraw/zinc/38/68/31/132386831.db2.gz IDXLBSTUJMLQJZ-FUHWJXTLSA-N -1 0 351.446 4.507 50 0 FJAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)C1 ZINC000064589123 136133395 /nfs/dbraw/zinc/13/33/95/136133395.db2.gz GJQDDJPCXYRMMJ-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM CC1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000064820735 136133935 /nfs/dbraw/zinc/13/39/35/136133935.db2.gz QLHHZODIGHYQRY-UHFFFAOYSA-N -1 0 372.852 4.527 50 0 FJAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)C1 ZINC000064820740 136133978 /nfs/dbraw/zinc/13/39/78/136133978.db2.gz OGJVZZUVFUOTHW-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM O=C([O-])c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1Cl ZINC000095929139 209086376 /nfs/dbraw/zinc/08/63/76/209086376.db2.gz YYQFQYSMAXBVOY-UHFFFAOYSA-N -1 0 351.789 4.958 50 0 FJAARM CCc1ccc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000096399895 222119563 /nfs/dbraw/zinc/11/95/63/222119563.db2.gz XGPGJZYXXIXRGK-AQTBWJFISA-N -1 0 372.468 4.872 50 0 FJAARM CN(C)c1ccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000096767631 222131027 /nfs/dbraw/zinc/13/10/27/222131027.db2.gz NVBKHCDSULKNKR-SQFISAMPSA-N -1 0 352.459 4.768 50 0 FJAARM Cc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccccc1 ZINC000100129048 222236473 /nfs/dbraw/zinc/23/64/73/222236473.db2.gz AXCLXSRLRLJJBN-UHFFFAOYSA-N -1 0 361.470 4.599 50 0 FJAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000253501675 519757049 /nfs/dbraw/zinc/75/70/49/519757049.db2.gz WVHKCBDRQIXZLC-VFKRBHBSSA-N -1 0 360.494 4.582 50 0 FJAARM CCCOc1cc2cc(C(=O)c3ccccc3[O-])cnc2cc1OCCC ZINC000008429702 568317689 /nfs/dbraw/zinc/31/76/89/568317689.db2.gz RWKLOWVSQRRIFC-UHFFFAOYSA-N -1 0 365.429 4.749 50 0 FJAARM CC(C)(C)NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000640921 570442692 /nfs/dbraw/zinc/44/26/92/570442692.db2.gz GSAKUOKSFBBUPK-UHFFFAOYSA-N -1 0 359.036 4.527 50 0 FJAARM CC1(C)[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC[C@@]1(C)C(=O)[O-] ZINC000000705228 570451248 /nfs/dbraw/zinc/45/12/48/570451248.db2.gz ULXQSQPKEUJAQQ-GCJKJVERSA-N -1 0 366.461 4.896 50 0 FJAARM O=C([O-])c1ccc(CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000781890 570456260 /nfs/dbraw/zinc/45/62/60/570456260.db2.gz SBOSHHPCNRHJLS-UHFFFAOYSA-N -1 0 356.472 4.561 50 0 FJAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1 ZINC000000991652 570468589 /nfs/dbraw/zinc/46/85/89/570468589.db2.gz PNIFIMASWFTOON-UHFFFAOYSA-N -1 0 355.434 4.970 50 0 FJAARM CCOc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1Cl ZINC000011613712 570483421 /nfs/dbraw/zinc/48/34/21/570483421.db2.gz ATTHIZIVYGVBJG-UHFFFAOYSA-N -1 0 374.289 4.810 50 0 FJAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)c1 ZINC000002526076 570524196 /nfs/dbraw/zinc/52/41/96/570524196.db2.gz KJMXLJAJNHCRNO-UHFFFAOYSA-N -1 0 357.793 4.579 50 0 FJAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C(=O)[O-] ZINC000002540075 570524270 /nfs/dbraw/zinc/52/42/70/570524270.db2.gz WYCXAHWYARJRQK-UHFFFAOYSA-N -1 0 373.408 4.770 50 0 FJAARM O=C([O-])c1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003135966 570552626 /nfs/dbraw/zinc/55/26/26/570552626.db2.gz FONQZIKOBUCOIK-UHFFFAOYSA-N -1 0 368.392 4.852 50 0 FJAARM O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000408525974 570566463 /nfs/dbraw/zinc/56/64/63/570566463.db2.gz ZFGJNSUWCCUUIQ-UHFFFAOYSA-N -1 0 364.150 4.648 50 0 FJAARM C[C@H]1CC(C)(C)C[C@@](CC(=O)Nc2cccc(C(F)(F)F)c2)(C(=O)[O-])C1 ZINC000004092768 570575410 /nfs/dbraw/zinc/57/54/10/570575410.db2.gz QQLVXYUIIGTHTC-KPZWWZAWSA-N -1 0 371.399 4.951 50 0 FJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000004163126 570579507 /nfs/dbraw/zinc/57/95/07/570579507.db2.gz PXLOOYFRPQPLNL-ROUUACIJSA-N -1 0 373.836 4.962 50 0 FJAARM O=C([O-])c1ccccc1NC(=O)c1cccc2c(Br)cccc12 ZINC000004832844 570609158 /nfs/dbraw/zinc/60/91/58/570609158.db2.gz GIFLOKBFAUQHPE-UHFFFAOYSA-N -1 0 370.202 4.553 50 0 FJAARM CCCc1c(C)nc2ccc(Br)cc2c1SCCC(=O)[O-] ZINC000004834537 570609509 /nfs/dbraw/zinc/60/95/09/570609509.db2.gz SLXZCZNKMYFSDP-UHFFFAOYSA-N -1 0 368.296 4.825 50 0 FJAARM CCc1ccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005556937 570630670 /nfs/dbraw/zinc/63/06/70/570630670.db2.gz KXRCWQQJNIVXSY-UHFFFAOYSA-N -1 0 350.292 4.872 50 0 FJAARM O=C([O-])c1cc(/C=C/c2ccc(Br)cc2)nc2ccccc21 ZINC000006430579 570646993 /nfs/dbraw/zinc/64/69/93/570646993.db2.gz XHVJCKMXCFSKNT-JXMROGBWSA-N -1 0 354.203 4.866 50 0 FJAARM COc1ccccc1-c1nnc([N-]c2nc3ccc(SC)cc3s2)o1 ZINC000004359834 570758676 /nfs/dbraw/zinc/75/86/76/570758676.db2.gz BZVPCEOOMQFBBV-UHFFFAOYSA-N -1 0 370.459 4.820 50 0 FJAARM Cc1ccc2nc(-c3ccc(Br)cc3)c(C)c(C(=O)[O-])c2c1 ZINC000000650534 570761300 /nfs/dbraw/zinc/76/13/00/570761300.db2.gz YCUBCPRUDFWOIX-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM Cc1cc(Nc2ccc(Br)cc2)nc(-c2ccccc2[O-])n1 ZINC000013126129 570774206 /nfs/dbraw/zinc/77/42/06/570774206.db2.gz ITTBNSBANZGQEU-UHFFFAOYSA-N -1 0 356.223 4.664 50 0 FJAARM Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4C(=O)[O-])c3)nc2c1 ZINC000013945751 570798898 /nfs/dbraw/zinc/79/88/98/570798898.db2.gz WLNWDRWAPJCEHY-UHFFFAOYSA-N -1 0 372.380 4.754 50 0 FJAARM O=C([O-])c1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1Cl ZINC000015010468 570828738 /nfs/dbraw/zinc/82/87/38/570828738.db2.gz VJSXJBRRUVDPIT-SDQBBNPISA-N -1 0 365.819 4.627 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000015081538 570832456 /nfs/dbraw/zinc/83/24/56/570832456.db2.gz YYAWJCNIWKIEMJ-CQSZACIVSA-N -1 0 367.401 4.727 50 0 FJAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1C(=O)CC1CCCCC1 ZINC000601009084 570993903 /nfs/dbraw/zinc/99/39/03/570993903.db2.gz LVDAROPQACXYLG-UHFFFAOYSA-N -1 0 365.429 4.790 50 0 FJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)c(Cl)c1 ZINC000025763131 571000088 /nfs/dbraw/zinc/00/00/88/571000088.db2.gz LKNZOKDZFRMURZ-UHFFFAOYSA-N -1 0 351.164 4.683 50 0 FJAARM O=C([O-])c1nc2ccccc2c(NCc2cccc(Oc3ccccc3)c2)n1 ZINC000039929445 571066026 /nfs/dbraw/zinc/06/60/26/571066026.db2.gz OCBRNZXKOUOSRL-UHFFFAOYSA-N -1 0 371.396 4.732 50 0 FJAARM CCCC[C@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006204111 571071203 /nfs/dbraw/zinc/07/12/03/571071203.db2.gz RZZXDYZWHUAOEK-HXUWFJFHSA-N -1 0 367.445 4.511 50 0 FJAARM O=C([O-])/C=C/c1cc(Cl)ccc1OCc1ccccc1Br ZINC000036895262 571082080 /nfs/dbraw/zinc/08/20/80/571082080.db2.gz YHGQDDYBBWKGDS-VMPITWQZSA-N -1 0 367.626 4.779 50 0 FJAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1 ZINC000040267225 571092098 /nfs/dbraw/zinc/09/20/98/571092098.db2.gz WMFNRETVTZMOLJ-CQSZACIVSA-N -1 0 350.399 4.632 50 0 FJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000015677193 571102763 /nfs/dbraw/zinc/10/27/63/571102763.db2.gz MRTPSVUFSMUMAM-UHFFFAOYSA-N -1 0 367.767 4.783 50 0 FJAARM O=c1cc([O-])c2sc3nc(-c4cccs4)cc(C(F)F)c3c2[nH]1 ZINC000012374996 571115769 /nfs/dbraw/zinc/11/57/69/571115769.db2.gz OEWVPAREMVWXGK-UHFFFAOYSA-N -1 0 350.371 4.510 50 0 FJAARM O=C([O-])CC1(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCCC1 ZINC000001498903 571121536 /nfs/dbraw/zinc/12/15/36/571121536.db2.gz IIGVGMVWPNBKTM-UHFFFAOYSA-N -1 0 353.418 4.843 50 0 FJAARM CC(C)CCOc1ccc(COc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000043190910 571133020 /nfs/dbraw/zinc/13/30/20/571133020.db2.gz RMTBSQJIHYUPBA-UHFFFAOYSA-N -1 0 362.853 4.971 50 0 FJAARM CC(C)(C)OC(=O)N1CCC[C@H](c2cc(C(C)(C)C)ccc2C(=O)[O-])C1 ZINC000072233814 571133868 /nfs/dbraw/zinc/13/38/68/571133868.db2.gz IDDNJWPJGGNMBM-AWEZNQCLSA-N -1 0 361.482 4.797 50 0 FJAARM O=C([O-])c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCCC2 ZINC000000940880 571135271 /nfs/dbraw/zinc/13/52/71/571135271.db2.gz BOYTXKADPMDYRP-UHFFFAOYSA-N -1 0 365.454 4.660 50 0 FJAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414240 571158896 /nfs/dbraw/zinc/15/88/96/571158896.db2.gz QGGSDHXUCXLWFN-UHFFFAOYSA-N -1 0 354.475 4.642 50 0 FJAARM CCCCCOC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@H]1c1ccccc1 ZINC000003666372 571187329 /nfs/dbraw/zinc/18/73/29/571187329.db2.gz SZUIVDDTEKRZIU-HJLBWTBNSA-N -1 0 366.457 4.618 50 0 FJAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1 ZINC000065004113 571250258 /nfs/dbraw/zinc/25/02/58/571250258.db2.gz PCBMQNNNPDHVMZ-UHFFFAOYSA-N -1 0 374.487 4.698 50 0 FJAARM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 ZINC000007813567 571289769 /nfs/dbraw/zinc/28/97/69/571289769.db2.gz JWWZBOKBWKQEJA-UHFFFAOYSA-N -1 0 359.834 4.933 50 0 FJAARM C[C@H](OC(=O)c1ccccc1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000048522800 571308707 /nfs/dbraw/zinc/30/87/07/571308707.db2.gz BAYXFEKXTTUJPE-INIZCTEOSA-N -1 0 360.409 4.762 50 0 FJAARM Cn1nc(-c2ccccc2)c(CSc2ccccc2C(=O)[O-])c1Cl ZINC000002567102 571339028 /nfs/dbraw/zinc/33/90/28/571339028.db2.gz UHXDJEWUSOLGEL-UHFFFAOYSA-N -1 0 358.850 4.731 50 0 FJAARM O=c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n21 ZINC000002848391 571341383 /nfs/dbraw/zinc/34/13/83/571341383.db2.gz MRLWWNQPHDNPRD-UHFFFAOYSA-N -1 0 369.346 4.712 50 0 FJAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1Cl)c1ccccc1 ZINC000003148909 571345043 /nfs/dbraw/zinc/34/50/43/571345043.db2.gz KWNGYXJHBYVRQL-UHFFFAOYSA-N -1 0 359.834 4.933 50 0 FJAARM CCCc1cc2c(cc1[O-])oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000003189243 571345319 /nfs/dbraw/zinc/34/53/19/571345319.db2.gz NAEAOSNDDWJJNA-UHFFFAOYSA-N -1 0 366.413 4.588 50 0 FJAARM CC(=O)Nc1ccc2nc([N-]c3nc4ccc(F)cc4s3)sc2c1 ZINC000004137771 571355980 /nfs/dbraw/zinc/35/59/80/571355980.db2.gz CDLRBIRXIPNMNP-UHFFFAOYSA-N -1 0 358.423 4.747 50 0 FJAARM Fc1cc2sc([N-]c3nc4cc5c(cc4s3)OCO5)nc2c(F)c1 ZINC000004137837 571355990 /nfs/dbraw/zinc/35/59/90/571355990.db2.gz GBNNWGRVDWOCIL-UHFFFAOYSA-N -1 0 363.370 4.657 50 0 aggregator FJAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000000683168 219313790 /nfs/dbraw/zinc/31/37/90/219313790.db2.gz AZGKTURJHUOLJF-UHFFFAOYSA-N -1 0 360.504 4.703 50 0 FJAARM CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000759621 219319203 /nfs/dbraw/zinc/31/92/03/219319203.db2.gz YGUAAIYZYQDTNU-UHFFFAOYSA-N -1 0 357.397 4.804 50 0 FJAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000846076 219329350 /nfs/dbraw/zinc/32/93/50/219329350.db2.gz NSQQKZMXKPAZFL-UHFFFAOYSA-N -1 0 355.802 4.943 50 0 FJAARM O=C(/C=C/c1cccs1)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000000934495 219342254 /nfs/dbraw/zinc/34/22/54/219342254.db2.gz BTURFDFZCYITAI-CMDGGOBGSA-N -1 0 355.440 4.827 50 0 FJAARM CCOc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)[O-])cc1 ZINC000000979548 219348652 /nfs/dbraw/zinc/34/86/52/219348652.db2.gz XYVLKOOWKRWITD-UHFFFAOYSA-N -1 0 372.421 4.719 50 0 FJAARM Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)c1 ZINC000000990702 219349727 /nfs/dbraw/zinc/34/97/27/219349727.db2.gz IDNICEBBFZPKSO-RBUKOAKNSA-N -1 0 353.418 4.617 50 0 FJAARM O=S(=O)([N-]c1ccc(F)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000001025142 219353617 /nfs/dbraw/zinc/35/36/17/219353617.db2.gz MUQSIRWRHGVDBP-UHFFFAOYSA-N -1 0 354.617 4.587 50 0 FJAARM COc1ccc(-c2c(=O)oc3cc([O-])ccc3c2-c2ccccc2)cc1OC ZINC000001080958 219366224 /nfs/dbraw/zinc/36/62/24/219366224.db2.gz BYLCNWQEOASNRQ-UHFFFAOYSA-N -1 0 374.392 4.850 50 0 biogenic,in-vitro FJAARM COc1ccccc1Nc1nc(-c2ccc(C)c(C)c2)c(CC(=O)[O-])s1 ZINC000001177694 219385459 /nfs/dbraw/zinc/38/54/59/219385459.db2.gz DLFYCZQEPGNDOV-UHFFFAOYSA-N -1 0 368.458 4.806 50 0 FJAARM Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2C)onc1C1CCCCC1 ZINC000225394571 209808950 /nfs/dbraw/zinc/80/89/50/209808950.db2.gz YXVJBNXFWYQPQC-UHFFFAOYSA-N -1 0 368.886 4.793 50 0 FJAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)[O-])C1 ZINC000004701030 219598569 /nfs/dbraw/zinc/59/85/69/219598569.db2.gz AAWDEJQNVLORHR-SNVBAGLBSA-N -1 0 363.504 4.911 50 0 FJAARM CCCC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004843931 219611955 /nfs/dbraw/zinc/61/19/55/219611955.db2.gz RONWUDVZHQVPNE-UKRRQHHQSA-N -1 0 360.479 4.666 50 0 FJAARM Cc1ccc(NC(=O)CN(c2n[n-]c(=S)s2)c2ccccc2)c(C)c1 ZINC000008410535 219862117 /nfs/dbraw/zinc/86/21/17/219862117.db2.gz JNNIXTYAVZMNKX-UHFFFAOYSA-N -1 0 370.503 4.594 50 0 FJAARM CCOP(=O)(OCC)[C@@H](Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000001802518 209392427 /nfs/dbraw/zinc/39/24/27/209392427.db2.gz KLGUKMWHCLXGFQ-QGZVFWFLSA-N -1 0 363.350 4.762 50 0 FJAARM O=C1CC[C@H](c2ccccc2)C(=O)C1=C([O-])c1ccc(Cl)cc1Cl ZINC000100217094 209210141 /nfs/dbraw/zinc/21/01/41/209210141.db2.gz IGEOSXNEZHLFIR-DYVFJYSZSA-N -1 0 361.224 4.508 50 0 FJAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000012557042 220007170 /nfs/dbraw/zinc/00/71/70/220007170.db2.gz HYIJCQKPNQKVKT-UHFFFAOYSA-N -1 0 369.286 4.525 50 0 FJAARM CCCCCCn1c([O-])c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 ZINC000013004446 220051561 /nfs/dbraw/zinc/05/15/61/220051561.db2.gz XRVXEAQDXIHLMC-UHFFFAOYSA-N -1 0 361.445 4.831 50 0 FJAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(F)ccc1F ZINC000013325592 220064057 /nfs/dbraw/zinc/06/40/57/220064057.db2.gz PSUGOPOLPSOWOE-UHFFFAOYSA-N -1 0 366.726 4.973 50 0 FJAARM O=C([O-])C[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000013224951 220061196 /nfs/dbraw/zinc/06/11/96/220061196.db2.gz WZZUQVVYGQRLFQ-FQEVSTJZSA-N -1 0 351.446 4.680 50 0 FJAARM O=C([O-])c1ccc(Cl)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000013167584 220061394 /nfs/dbraw/zinc/06/13/94/220061394.db2.gz PPXRHAJIPZCEMR-UHFFFAOYSA-N -1 0 365.816 4.886 50 0 FJAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)[O-])c32)cc1 ZINC000013363480 220065890 /nfs/dbraw/zinc/06/58/90/220065890.db2.gz BECSJRQKBPFEPG-UHFFFAOYSA-N -1 0 373.412 4.697 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccccc1F ZINC000015081542 220147432 /nfs/dbraw/zinc/14/74/32/220147432.db2.gz WHLBRBOSQUMXHJ-CYBMUJFWSA-N -1 0 367.401 4.727 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccsc1 ZINC000015082330 220147687 /nfs/dbraw/zinc/14/76/87/220147687.db2.gz NUSAWMDTTCVQHF-GFCCVEGCSA-N -1 0 373.430 4.788 50 0 FJAARM O=C([O-])/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000016384335 220183785 /nfs/dbraw/zinc/18/37/85/220183785.db2.gz IXUIYAJKSSTHMH-ZZXKWVIFSA-N -1 0 372.012 4.569 50 0 FJAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1Cc1ccccc1 ZINC000017072753 220202272 /nfs/dbraw/zinc/20/22/72/220202272.db2.gz BNTOVKJDENUHQZ-UHFFFAOYSA-N -1 0 350.468 4.836 50 0 FJAARM CC(=O)c1ccc(NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000017073418 220202649 /nfs/dbraw/zinc/20/26/49/220202649.db2.gz OJRBZXKDOAMLGT-UHFFFAOYSA-N -1 0 355.246 4.711 50 0 FJAARM CC(C)(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000004602091 207032627 /nfs/dbraw/zinc/03/26/27/207032627.db2.gz QXQWIRAOTVDXJI-QGZVFWFLSA-N -1 0 359.853 4.583 50 0 FJAARM CCOc1ccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005791105 207116652 /nfs/dbraw/zinc/11/66/52/207116652.db2.gz YBHOWGLPKAVCTH-UHFFFAOYSA-N -1 0 366.291 4.708 50 0 FJAARM O=S(=O)(Nc1ccccc1SCc1ccccc1)c1ccccc1 ZINC000007709848 207202911 /nfs/dbraw/zinc/20/29/11/207202911.db2.gz PDBLLKFYCDVMOX-UHFFFAOYSA-N -1 0 355.484 4.780 50 0 FJAARM O=S(=O)([N-]c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 ZINC000008185136 207222396 /nfs/dbraw/zinc/22/23/96/207222396.db2.gz ZNVHOBLUOOOPBA-UHFFFAOYSA-N -1 0 360.438 4.703 50 0 FJAARM Cc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(Cl)cc1Cl ZINC000008697865 207241742 /nfs/dbraw/zinc/24/17/42/207241742.db2.gz NEPHACVWWYERLT-UHFFFAOYSA-N -1 0 367.257 4.651 50 0 FJAARM O=C([O-])c1cc(-c2ccccc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000012396060 207369589 /nfs/dbraw/zinc/36/95/89/207369589.db2.gz UVTKKLADIKINSU-UHFFFAOYSA-N -1 0 373.387 4.802 50 0 FJAARM O=C(c1cc(Cl)c2nc3cc(Cl)ccc3n2c1)c1ccccc1[O-] ZINC000013162825 207452904 /nfs/dbraw/zinc/45/29/04/207452904.db2.gz GBFPDYIIYQPIOD-UHFFFAOYSA-N -1 0 357.196 4.731 50 0 FJAARM COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c([O-])c1 ZINC000038823894 208206846 /nfs/dbraw/zinc/20/68/46/208206846.db2.gz UUINYPIVWRZHAG-UHFFFAOYSA-N -1 0 355.397 4.587 50 0 FJAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NC(=O)c1ccccc1Cl ZINC000045967538 208344783 /nfs/dbraw/zinc/34/47/83/208344783.db2.gz JSDDGXDYBDZTNW-UHFFFAOYSA-N -1 0 372.852 4.671 50 0 FJAARM O=[P@]([O-])(CCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000020566948 220333251 /nfs/dbraw/zinc/33/32/51/220333251.db2.gz LGAYKRRLZVMOOE-JOCHJYFZSA-N -1 0 365.413 4.988 50 0 FJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccccc1 ZINC000064797262 208622971 /nfs/dbraw/zinc/62/29/71/208622971.db2.gz CFGJDGLBWBHAAZ-CQSZACIVSA-N -1 0 367.401 4.727 50 0 FJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccsc1 ZINC000064797618 208623332 /nfs/dbraw/zinc/62/33/32/208623332.db2.gz HYYBAEYPVTVBCR-LBPRGKRZSA-N -1 0 373.430 4.788 50 0 FJAARM Cc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc(C)c1OCc1ccccn1 ZINC000058344366 221114976 /nfs/dbraw/zinc/11/49/76/221114976.db2.gz QBFRKVYHWQNKEG-VOTSOKGWSA-N -1 0 366.442 4.603 50 0 FJAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)c(C(=O)[O-])c2)C1 ZINC000035482638 132374466 /nfs/dbraw/zinc/37/44/66/132374466.db2.gz CYOPRDRXMYGJTA-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000046053344 136122002 /nfs/dbraw/zinc/12/20/02/136122002.db2.gz OVQVVNZLNPXFGY-UHFFFAOYSA-N -1 0 372.852 4.527 50 0 FJAARM CC(C)c1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000096759346 222128749 /nfs/dbraw/zinc/12/87/49/222128749.db2.gz NDPXHFBNHAMGBL-CXUHLZMHSA-N -1 0 368.820 4.894 50 0 FJAARM O=c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)[n-]n21 ZINC000100575781 222247536 /nfs/dbraw/zinc/24/75/36/222247536.db2.gz JEZQOTPVQRULMG-UHFFFAOYSA-N -1 0 366.218 4.531 50 0 FJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)N(O)c1ccccc1 ZINC000100915446 222256148 /nfs/dbraw/zinc/25/61/48/222256148.db2.gz YAMYXDXWQAYIBN-YADHBBJMSA-N -1 0 371.440 4.662 50 0 FJAARM O=C([O-])c1ccccc1C(=O)O[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000000641569 263141128 /nfs/dbraw/zinc/14/11/28/263141128.db2.gz XPUDMIASEFZLDR-IBGZPJMESA-N -1 0 366.800 4.985 50 0 FJAARM COc1cccc(-c2nc3ccccc3c(Nc3cccc(F)c3)n2)c1[O-] ZINC000002221845 263145010 /nfs/dbraw/zinc/14/50/10/263145010.db2.gz GQLRJSXUYICZCE-UHFFFAOYSA-N -1 0 361.376 4.894 50 0 FJAARM Cc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3cccc4ccccc43)c2n1 ZINC000005612130 263342362 /nfs/dbraw/zinc/34/23/62/263342362.db2.gz TVGXVESCOORCJE-UHFFFAOYSA-N -1 0 365.436 4.742 50 0 FJAARM O=C([O-])/C=C/c1ccc(-c2cc(Br)ccc2Br)o1 ZINC000216962223 568159741 /nfs/dbraw/zinc/15/97/41/568159741.db2.gz FZQRZFLMZKYURE-ZZXKWVIFSA-N -1 0 372.012 4.569 50 0 FJAARM O=C(c1cc(Cl)c([O-])c(Cl)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000032786816 568405136 /nfs/dbraw/zinc/40/51/36/568405136.db2.gz RYBYDWBTBDVUBC-CQSZACIVSA-N -1 0 350.245 4.546 50 0 FJAARM O=C([O-])c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000000621921 570438341 /nfs/dbraw/zinc/43/83/41/570438341.db2.gz VGSYYBSAOANSLR-UHFFFAOYSA-N -1 0 359.381 4.746 50 0 FJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1C ZINC000000991224 570468696 /nfs/dbraw/zinc/46/86/96/570468696.db2.gz DSFQRRFDCGCSST-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM O=C([O-])c1cccc(NC(=O)Nc2ccc(COc3ccccc3)cc2)c1 ZINC000001032704 570472812 /nfs/dbraw/zinc/47/28/12/570472812.db2.gz VTTXQJYYGCSRQS-UHFFFAOYSA-N -1 0 362.385 4.608 50 0 FJAARM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(Cl)cc2)cc1 ZINC000001043435 570476035 /nfs/dbraw/zinc/47/60/35/570476035.db2.gz DFDFJKHZEXROIV-UHFFFAOYSA-N -1 0 374.849 4.637 50 0 FJAARM Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000001171966 570487279 /nfs/dbraw/zinc/48/72/79/570487279.db2.gz 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570576270 /nfs/dbraw/zinc/57/62/70/570576270.db2.gz SINCEDXJVDAVLR-UHFFFAOYSA-N -1 0 359.407 4.575 50 0 FJAARM CCOc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000004118193 570576782 /nfs/dbraw/zinc/57/67/82/570576782.db2.gz ZROHCIIRJKRMCU-KRWDZBQOSA-N -1 0 364.850 4.557 50 0 FJAARM O=C(c1ccc(Cl)cc1)c1c([O-])cc(-c2ccc(Cl)cc2)oc1=O ZINC000005522228 570667247 /nfs/dbraw/zinc/66/72/47/570667247.db2.gz IJDXVQMDYUXXOS-UHFFFAOYSA-N -1 0 361.180 4.550 50 0 FJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c(OCC)c1 ZINC000002735867 570669712 /nfs/dbraw/zinc/66/97/12/570669712.db2.gz MWAMZESZVMUSQQ-UHFFFAOYSA-N -1 0 351.402 4.706 50 0 FJAARM CCCCc1ccc(-c2nc(NC(=O)CCCC(=O)[O-])sc2C)cc1 ZINC000002760392 570671390 /nfs/dbraw/zinc/67/13/90/570671390.db2.gz SJFZCQVKPVGQHF-UHFFFAOYSA-N -1 0 360.479 4.655 50 0 FJAARM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(C)C ZINC000011565909 570703600 /nfs/dbraw/zinc/70/36/00/570703600.db2.gz JDIFWFPVHHMQFE-UHFFFAOYSA-N -1 0 362.495 4.575 50 0 FJAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OCc1c(F)cccc1Cl ZINC000011887436 570711265 /nfs/dbraw/zinc/71/12/65/570711265.db2.gz TVXWOZCEOYIKFE-VQHVLOKHSA-N -1 0 350.773 4.555 50 0 FJAARM Cc1nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2s1 ZINC000007976979 570760376 /nfs/dbraw/zinc/76/03/76/570760376.db2.gz YXEBOCMDDBRVQW-UHFFFAOYSA-N -1 0 373.286 4.712 50 0 FJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1c(F)c(F)c(F)c(F)c1F ZINC000100879173 570800011 /nfs/dbraw/zinc/80/00/11/570800011.db2.gz ISNUUWYJLLUFCM-UHFFFAOYSA-N -1 0 372.318 4.733 50 0 FJAARM CC1=C(C)C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)[C@H](C(=O)[O-])C1 ZINC000004503161 570802736 /nfs/dbraw/zinc/80/27/36/570802736.db2.gz MBSZQOGOVMXQJX-ZWKOTPCHSA-N -1 0 363.413 4.972 50 0 FJAARM O=C([O-])c1ccc(COc2ccc3cc(-c4ccccc4)c(=O)oc3c2)cc1 ZINC000004538798 570820077 /nfs/dbraw/zinc/82/00/77/570820077.db2.gz HTAGULLCKSXMGX-UHFFFAOYSA-N -1 0 372.376 4.737 50 0 FJAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(CCCc4ccccc4)c(=O)c23)C1 ZINC000017076003 570867718 /nfs/dbraw/zinc/86/77/18/570867718.db2.gz YNHHHCMWVYMTEN-ZDUSSCGKSA-N -1 0 370.543 4.878 50 0 FJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(F)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492340 570918254 /nfs/dbraw/zinc/91/82/54/570918254.db2.gz OUQUAMKZYXLKMS-UHFFFAOYSA-N -1 0 361.376 4.692 50 0 FJAARM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000096298652 571063639 /nfs/dbraw/zinc/06/36/39/571063639.db2.gz TUQVBCPZQVYRID-NVNXTCNLSA-N -1 0 358.393 4.713 50 0 FJAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000004592829 571098925 /nfs/dbraw/zinc/09/89/25/571098925.db2.gz IXBSEHDKONLMGO-MSOLQXFVSA-N -1 0 371.820 4.738 50 0 FJAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000015677197 571102720 /nfs/dbraw/zinc/10/27/20/571102720.db2.gz JJJRLFHXRXLNLA-UHFFFAOYSA-N -1 0 367.767 4.783 50 0 FJAARM CC(C)Oc1ccc(COc2ccc(C[C@@H](C)C(=O)[O-])cc2Cl)cc1 ZINC000045068581 571133394 /nfs/dbraw/zinc/13/33/94/571133394.db2.gz NITWBBQHZOWOKQ-CQSZACIVSA-N -1 0 362.853 4.969 50 0 FJAARM Cc1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1C ZINC000026548139 571166511 /nfs/dbraw/zinc/16/65/11/571166511.db2.gz KMKBKJHYGQFYON-UHFFFAOYSA-N -1 0 368.458 4.637 50 0 FJAARM CCCCCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccccc1 ZINC000005845575 571166668 /nfs/dbraw/zinc/16/66/68/571166668.db2.gz NHESPHRLXRZYSN-RDTXWAMCSA-N -1 0 373.522 4.895 50 0 FJAARM CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820609 571243992 /nfs/dbraw/zinc/24/39/92/571243992.db2.gz KDNQVBUPHUPINL-UHFFFAOYSA-N -1 0 368.477 4.756 50 0 FJAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1 ZINC000065004134 571250168 /nfs/dbraw/zinc/25/01/68/571250168.db2.gz HQBPAOCAPNIULM-UHFFFAOYSA-N -1 0 374.487 4.644 50 0 FJAARM CCCCc1ccc(C([O-])=CS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000006853955 571250655 /nfs/dbraw/zinc/25/06/55/571250655.db2.gz ARRRNUABQFRSQE-UHFFFAOYSA-N -1 0 366.482 4.839 50 0 FJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(C)s2)cs1 ZINC000065138159 571254835 /nfs/dbraw/zinc/25/48/35/571254835.db2.gz YHJDERWCPHKLFK-UHFFFAOYSA-N -1 0 364.517 4.598 50 0 FJAARM COc1cccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)c1 ZINC000002194472 571283424 /nfs/dbraw/zinc/28/34/24/571283424.db2.gz ODJJXKSHUJUHAI-UHFFFAOYSA-N -1 0 374.396 4.812 50 0 FJAARM CC(C)C[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002271929 571294388 /nfs/dbraw/zinc/29/43/88/571294388.db2.gz PVRGUGDRQFLDMQ-UKRRQHHQSA-N -1 0 360.479 4.522 50 0 FJAARM CC(C)c1ccc(-c2cc(=O)c3cc(CC(=O)[O-])cc(Cl)c3o2)cc1 ZINC000048533845 571308672 /nfs/dbraw/zinc/30/86/72/571308672.db2.gz PBDGJOOWACGEMZ-UHFFFAOYSA-N -1 0 356.805 4.864 50 0 FJAARM COc1ccc(S[C@@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000079111954 571327060 /nfs/dbraw/zinc/32/70/60/571327060.db2.gz ZUKICBKQGJANLL-JTQLQIEISA-N -1 0 360.460 4.618 50 0 FJAARM O=C([O-])c1csc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000095929478 571332282 /nfs/dbraw/zinc/33/22/82/571332282.db2.gz JZIYARREMADFOM-UHFFFAOYSA-N -1 0 356.247 4.623 50 0 FJAARM CC(=O)Nc1ccc2nc([N-]c3nc4c(cccc4F)s3)sc2c1 ZINC000004137667 571355952 /nfs/dbraw/zinc/35/59/52/571355952.db2.gz TXXOGGRFYCSLED-UHFFFAOYSA-N -1 0 358.423 4.747 50 0 FJAARM Cc1ccc(-c2csc([N-]c3nc4cc5c(cc4s3)OCO5)n2)o1 ZINC000004137825 571356019 /nfs/dbraw/zinc/35/60/19/571356019.db2.gz BFRYMTDOHQWBRX-UHFFFAOYSA-N -1 0 357.416 4.794 50 0 FJAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000000753264 219318591 /nfs/dbraw/zinc/31/85/91/219318591.db2.gz PRZBEXWQYPPUQH-UHFFFAOYSA-N -1 0 370.179 4.813 50 0 FJAARM Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3cccnc32)cc1 ZINC000000758709 219319537 /nfs/dbraw/zinc/31/95/37/219319537.db2.gz UAQOINWXYOCOGS-UHFFFAOYSA-N -1 0 367.257 4.651 50 0 FJAARM CCOc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000000826052 219326965 /nfs/dbraw/zinc/32/69/65/219326965.db2.gz HAHPLKLXJZZOOZ-UHFFFAOYSA-N -1 0 361.397 4.703 50 0 FJAARM S=c1[n-]nc(OCc2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000000954866 219346669 /nfs/dbraw/zinc/34/66/69/219346669.db2.gz MMWBEQJSQNZWCH-UHFFFAOYSA-N 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/nfs/dbraw/zinc/64/21/09/219642109.db2.gz MTQKXKNXRIWCIL-UHFFFAOYSA-N -1 0 373.865 4.609 50 0 FJAARM O=C([O-])CCN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000855002 209378914 /nfs/dbraw/zinc/37/89/14/209378914.db2.gz OLMDOBSZEZQBDZ-NRFANRHFSA-N -1 0 366.505 4.857 50 0 FJAARM Cc1nn(CC(C)C)c(Cl)c1/C=C\c1cc(C(=O)[O-])c2ccccc2n1 ZINC000096792022 209157750 /nfs/dbraw/zinc/15/77/50/209157750.db2.gz YZIFAIUAYPNAFT-HJWRWDBZSA-N -1 0 369.852 4.918 50 0 FJAARM O=C([O-])c1ccc(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013531810 220071887 /nfs/dbraw/zinc/07/18/87/220071887.db2.gz GNCZTZCPXFDPLI-UHFFFAOYSA-N -1 0 358.703 4.701 50 0 in-vitro FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccsc1 ZINC000015083284 220147302 /nfs/dbraw/zinc/14/73/02/220147302.db2.gz AZIKTHYBZAJLJW-GFCCVEGCSA-N -1 0 355.440 4.649 50 0 FJAARM O=C([O-])C1CCC(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1 ZINC000003816269 206991389 /nfs/dbraw/zinc/99/13/89/206991389.db2.gz XWVBOPKUSVZZPJ-UHFFFAOYSA-N -1 0 350.393 4.794 50 0 FJAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004602050 207032772 /nfs/dbraw/zinc/03/27/72/207032772.db2.gz GOONKHBSKADUIL-SMDDNHRTSA-N -1 0 366.244 4.827 50 0 FJAARM CCOC(=O)c1ccc2nc([N-]c3nc4c(cccc4F)s3)sc2c1 ZINC000005025734 207074004 /nfs/dbraw/zinc/07/40/04/207074004.db2.gz CXQOZWQLOLVIOY-UHFFFAOYSA-N -1 0 373.434 4.965 50 0 FJAARM CC(=O)Nc1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000005217590 207088527 /nfs/dbraw/zinc/08/85/27/207088527.db2.gz NLJGFVPLAPZFMG-UHFFFAOYSA-N -1 0 371.396 4.753 50 0 FJAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000005601775 207107299 /nfs/dbraw/zinc/10/72/99/207107299.db2.gz QKSJPOPQAUFSEZ-HOTGVXAUSA-N -1 0 372.490 4.565 50 0 FJAARM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc2n1 ZINC000005931876 207123866 /nfs/dbraw/zinc/12/38/66/207123866.db2.gz OCBUKHUDTDZWBT-UHFFFAOYSA-N -1 0 367.257 4.651 50 0 FJAARM CC[C@@]1(C)Cc2c(sc3[n-]c(=S)n(C4CCCCC4)c(=O)c32)CO1 ZINC000006197575 207133235 /nfs/dbraw/zinc/13/32/35/207133235.db2.gz DXGHJMJMJRGTHX-SFHVURJKSA-N -1 0 364.536 4.867 50 0 FJAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)sc2c1 ZINC000006553309 207146657 /nfs/dbraw/zinc/14/66/57/207146657.db2.gz XVZBWEHDGFUKDO-UHFFFAOYSA-N -1 0 360.504 4.604 50 0 FJAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000011613722 207314719 /nfs/dbraw/zinc/31/47/19/207314719.db2.gz FRFMLBWRRSSBBX-UHFFFAOYSA-N -1 0 367.898 4.971 50 0 FJAARM CCc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cc1 ZINC000012395328 207369944 /nfs/dbraw/zinc/36/99/44/207369944.db2.gz HAKXIKAFSZSXTP-UHFFFAOYSA-N -1 0 371.387 4.560 50 0 FJAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000032717122 208037201 /nfs/dbraw/zinc/03/72/01/208037201.db2.gz XMLNQPAEEDFAPY-UHFFFAOYSA-N -1 0 355.790 4.530 50 0 FJAARM CCCCN(C)c1ccc(NC(=O)c2ccccc2Cl)c(C(=O)[O-])c1 ZINC000035482637 208126561 /nfs/dbraw/zinc/12/65/61/208126561.db2.gz AQIQPSFJORMVKZ-UHFFFAOYSA-N -1 0 360.841 4.527 50 0 FJAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000035510947 208127784 /nfs/dbraw/zinc/12/77/84/208127784.db2.gz PJXJVZQWYUZHBO-UHFFFAOYSA-N -1 0 374.440 4.664 50 0 FJAARM O=C([O-])Cc1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038529082 208203590 /nfs/dbraw/zinc/20/35/90/208203590.db2.gz LFLJMIMQXJBATH-UHFFFAOYSA-N -1 0 373.408 4.675 50 0 FJAARM O=C([O-])c1ccc(CCCc2ccc(OCCc3ccc(F)cc3)cc2)o1 ZINC000044063069 208311732 /nfs/dbraw/zinc/31/17/32/208311732.db2.gz MPLLLQUZNJSVTK-UHFFFAOYSA-N -1 0 368.404 4.914 50 0 in-vitro FJAARM Cc1ccccc1C(=O)Nc1ccc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000046053361 208356440 /nfs/dbraw/zinc/35/64/40/208356440.db2.gz SWGPSPKYIBRUNP-UHFFFAOYSA-N -1 0 374.440 4.582 50 0 FJAARM CCCCN(CC)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053487 208356553 /nfs/dbraw/zinc/35/65/53/208356553.db2.gz SQBPCWRBUZXXJI-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM CCCCC(=O)Nc1ccc(N2CC[C@@H](c3ccccc3)C2)c(C(=O)[O-])c1 ZINC000046053659 208356940 /nfs/dbraw/zinc/35/69/40/208356940.db2.gz RMVLVVNULGWSEI-QGZVFWFLSA-N -1 0 366.461 4.507 50 0 FJAARM Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(=O)[O-])c1-c1ccccc1 ZINC000020615655 220336237 /nfs/dbraw/zinc/33/62/37/220336237.db2.gz CCAONTBCEWGWIO-UHFFFAOYSA-N -1 0 363.804 4.723 50 0 FJAARM O=C([O-])c1ccc(NC2=NC(=O)SC2=Cc2ccc(Cl)cc2)cc1 ZINC000032597722 220665766 /nfs/dbraw/zinc/66/57/66/220665766.db2.gz CGIPFMKUGMSDAN-ZROIWOOFSA-N -1 0 358.806 4.757 50 0 FJAARM O=C([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000034762451 220761282 /nfs/dbraw/zinc/76/12/82/220761282.db2.gz RPRRPKJKACRJDD-UHFFFAOYSA-N -1 0 353.381 4.571 50 0 FJAARM O=C([O-])c1cnc(/C=C/c2ccc(-c3nc4ccccc4s3)o2)s1 ZINC000058406322 221117628 /nfs/dbraw/zinc/11/76/28/221117628.db2.gz AHIQAJBINARJEG-SOFGYWHQSA-N -1 0 354.412 4.881 50 0 FJAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])C1 ZINC000046053429 136121989 /nfs/dbraw/zinc/12/19/89/136121989.db2.gz ZUPOZISFQQVTDQ-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)C1 ZINC000064588744 136133322 /nfs/dbraw/zinc/13/33/22/136133322.db2.gz KHJLKEGKFQHBPF-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM CC1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000064820337 136133833 /nfs/dbraw/zinc/13/38/33/136133833.db2.gz OZQRLCOFWKARIA-UHFFFAOYSA-N -1 0 372.852 4.527 50 0 FJAARM COc1ccc2ncc(C(=O)[O-])c(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000095618444 209084699 /nfs/dbraw/zinc/08/46/99/209084699.db2.gz YYYMFQLUYFCUHH-UHFFFAOYSA-N -1 0 362.307 4.704 50 0 FJAARM O=C([O-])CCc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000096318816 222114905 /nfs/dbraw/zinc/11/49/05/222114905.db2.gz MGVAVFKIOVJGCU-UHFFFAOYSA-N -1 0 361.228 4.863 50 0 FJAARM Cc1cn2c(/C=C\c3cc(C(=O)[O-])c4ccc(F)cc4n3)c(C)nc2s1 ZINC000097040504 222154017 /nfs/dbraw/zinc/15/40/17/222154017.db2.gz WUWBOZGYGOPHGH-XQRVVYSFSA-N -1 0 367.405 4.569 50 0 FJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2C)C1 ZINC000097993220 222218543 /nfs/dbraw/zinc/21/85/43/222218543.db2.gz NWPFDKHHEWKSJW-ATVHPVEESA-N -1 0 358.441 4.618 50 0 FJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C1c2ccccc2Oc2ccccc21 ZINC000103774593 222343427 /nfs/dbraw/zinc/34/34/27/222343427.db2.gz QHXPMLIGHUTSRD-OAQYLSRUSA-N -1 0 354.409 4.963 50 0 FJAARM O=c1c2c(nc3c(-c4ccccc4)c(Cc4ccccc4)[n-]n31)CCCC2 ZINC000102691360 222304150 /nfs/dbraw/zinc/30/41/50/222304150.db2.gz UPJPZHWNOIAJTH-UHFFFAOYSA-N -1 0 355.441 4.572 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3ccccc3Cl)c2=O)c1-c1ccccc1 ZINC000102713798 222304815 /nfs/dbraw/zinc/30/48/15/222304815.db2.gz YYMPVOCFWYUTQL-UHFFFAOYSA-N -1 0 363.848 4.963 50 0 FJAARM CC1(C)[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC[C@]1(C)C(=O)[O-] ZINC000000705229 570451643 /nfs/dbraw/zinc/45/16/43/570451643.db2.gz ULXQSQPKEUJAQQ-PGRDOPGGSA-N -1 0 366.461 4.896 50 0 FJAARM COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000001165528 570486398 /nfs/dbraw/zinc/48/63/98/570486398.db2.gz LSJJTFOBTBKNPK-UHFFFAOYSA-N -1 0 371.389 4.513 50 0 FJAARM O=C([O-])c1ccccc1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002451695 570521486 /nfs/dbraw/zinc/52/14/86/570521486.db2.gz KWZXBGKOCKINFG-UHFFFAOYSA-N -1 0 374.421 4.914 50 0 FJAARM COc1cccc(-c2cc(C(=O)[O-])c3cc(Br)cc(C)c3n2)c1 ZINC000002877125 570541708 /nfs/dbraw/zinc/54/17/08/570541708.db2.gz XFXPGWDLMFGNPW-UHFFFAOYSA-N -1 0 372.218 4.680 50 0 FJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000004043558 570573939 /nfs/dbraw/zinc/57/39/39/570573939.db2.gz INLNWRRUOASIJX-UHFFFAOYSA-N -1 0 368.772 4.795 50 0 FJAARM COC(=O)c1ccccc1Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000005186250 570630563 /nfs/dbraw/zinc/63/05/63/570630563.db2.gz YMNDMXSVYQOGJS-UHFFFAOYSA-N -1 0 372.380 4.581 50 0 FJAARM CCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000005902653 570638331 /nfs/dbraw/zinc/63/83/31/570638331.db2.gz LOHCVBNDPMLCEK-UHFFFAOYSA-N -1 0 355.337 4.512 50 0 FJAARM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(C)C ZINC000011565910 570703676 /nfs/dbraw/zinc/70/36/76/570703676.db2.gz PWDVZPBKJSAUIO-UHFFFAOYSA-N -1 0 362.495 4.575 50 0 FJAARM O=C([O-])c1cc(NC(=O)CSc2cccc3ccccc32)ccc1Cl ZINC000015018900 570830064 /nfs/dbraw/zinc/83/00/64/570830064.db2.gz HAJNRAYHNJWZFO-UHFFFAOYSA-N -1 0 371.845 4.922 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccccc1 ZINC000015081458 570832462 /nfs/dbraw/zinc/83/24/62/570832462.db2.gz DBDVIDGIOGGNKR-CQSZACIVSA-N -1 0 367.401 4.727 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccsc1 ZINC000015083286 570832523 /nfs/dbraw/zinc/83/25/23/570832523.db2.gz AZIKTHYBZAJLJW-LBPRGKRZSA-N -1 0 355.440 4.649 50 0 FJAARM Cc1sc2[n-]c(=S)n(Cc3cccs3)c(=O)c2c1-c1ccccc1 ZINC000017075998 570867686 /nfs/dbraw/zinc/86/76/86/570867686.db2.gz VHVLWJXFNOCRQV-UHFFFAOYSA-N -1 0 370.524 4.832 50 0 FJAARM CCCCN(Cc1cccs1)c1ccc(NC(=O)CC)cc1C(=O)[O-] ZINC000046053667 570921840 /nfs/dbraw/zinc/92/18/40/570921840.db2.gz INABEXTZWMBSCP-UHFFFAOYSA-N -1 0 360.479 4.602 50 0 FJAARM CSc1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000020626972 570922249 /nfs/dbraw/zinc/92/22/49/570922249.db2.gz ZKLWSQUFHQZVAP-UHFFFAOYSA-N -1 0 354.305 4.578 50 0 FJAARM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c(C)s1 ZINC000024071004 570971403 /nfs/dbraw/zinc/97/14/03/570971403.db2.gz IJJMFINBRWKRNW-UHFFFAOYSA-N -1 0 364.517 4.598 50 0 FJAARM O=C([O-])c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccccc1 ZINC000025763409 571000167 /nfs/dbraw/zinc/00/01/67/571000167.db2.gz SEZSUXCCZUQKTQ-UHFFFAOYSA-N -1 0 351.164 4.683 50 0 FJAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c(Cl)c1 ZINC000026545388 571006756 /nfs/dbraw/zinc/00/67/56/571006756.db2.gz YIARHQJKYTXWSD-UHFFFAOYSA-N -1 0 363.838 4.764 50 0 FJAARM C[C@H](c1ccc(OC(F)(F)F)cc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000027223462 571011164 /nfs/dbraw/zinc/01/11/64/571011164.db2.gz BMQZEUIFRAIKIG-SNVBAGLBSA-N -1 0 366.364 4.567 50 0 FJAARM Cc1sc2[n-]c(-c3nc4ccccc4o3)nc(=O)c2c1-c1ccccc1 ZINC000225517953 571042467 /nfs/dbraw/zinc/04/24/67/571042467.db2.gz NXVYXCSTQQGEOS-UHFFFAOYSA-N -1 0 359.410 4.768 50 0 FJAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000008429637 571046779 /nfs/dbraw/zinc/04/67/79/571046779.db2.gz MZJHTCQBITYXTG-UHFFFAOYSA-N -1 0 359.740 4.690 50 0 FJAARM O=c1cc([O-])c2sc3nc(-c4cc(Cl)ccc4Cl)ccc3c2[nH]1 ZINC000008783373 571061818 /nfs/dbraw/zinc/06/18/18/571061818.db2.gz FMFOHEZTNGCTQO-UHFFFAOYSA-N -1 0 363.225 4.817 50 0 FJAARM CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000040088294 571074292 /nfs/dbraw/zinc/07/42/92/571074292.db2.gz JPYDXARFXAAZMX-UHFFFAOYSA-N -1 0 353.447 4.548 50 0 FJAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000004600887 571107120 /nfs/dbraw/zinc/10/71/20/571107120.db2.gz KCUDHBKZLOGBGM-GOSISDBHSA-N -1 0 373.880 4.512 50 0 FJAARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(Cl)cc3Cl)nnc2-1 ZINC000015015390 571122972 /nfs/dbraw/zinc/12/29/72/571122972.db2.gz ODPNSWHLQATQER-UHFFFAOYSA-N -1 0 371.231 4.567 50 0 FJAARM COc1ccc(COc2ccc(C[C@@H](C)C(=O)[O-])cc2Cl)cc1Cl ZINC000045068595 571133365 /nfs/dbraw/zinc/13/33/65/571133365.db2.gz OTFUWWMLGHYHPJ-LLVKDONJSA-N -1 0 369.244 4.844 50 0 FJAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003339277 571181063 /nfs/dbraw/zinc/18/10/63/571181063.db2.gz DUVHOJDQHVVRKJ-UHFFFAOYSA-N -1 0 360.262 4.583 50 0 FJAARM O=C([O-])c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 ZINC000005031784 571213819 /nfs/dbraw/zinc/21/38/19/571213819.db2.gz DPWVEWPRPGBVQR-UHFFFAOYSA-N -1 0 374.512 4.821 50 0 aggregator FJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3)c(C)s2)sc1C ZINC000033290103 571230626 /nfs/dbraw/zinc/23/06/26/571230626.db2.gz HCHQSXSVRGLAMT-UHFFFAOYSA-N -1 0 364.517 4.598 50 0 FJAARM CC(C)(C)c1cc(=O)n(-c2nc(Cl)c(C(F)(F)F)cc2Cl)[n-]1 ZINC000085388593 571233383 /nfs/dbraw/zinc/23/33/83/571233383.db2.gz JYPKKVYCLPGYSS-UHFFFAOYSA-N -1 0 354.159 4.546 50 0 FJAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)s2)on1 ZINC000006887793 571253270 /nfs/dbraw/zinc/25/32/70/571253270.db2.gz YJWKWVZJWWHHOH-UHFFFAOYSA-N -1 0 362.476 4.636 50 0 FJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615717 571257700 /nfs/dbraw/zinc/25/77/00/571257700.db2.gz XXHQFKJWVFGVDK-UHFFFAOYSA-N -1 0 367.767 4.554 50 0 FJAARM O=c1c2c3c(sc2[n-]c(=S)n1C/C=C/[C@H]1C=CC=CC1)CCCC3 ZINC000001061146 571275562 /nfs/dbraw/zinc/27/55/62/571275562.db2.gz JUNYDUDAZUIWAZ-PPGNKHEKSA-N -1 0 356.516 4.688 50 0 FJAARM O=C([O-])c1c(-c2cccs2)csc1NC(=O)CCc1ccccc1 ZINC000002278573 571294787 /nfs/dbraw/zinc/29/47/87/571294787.db2.gz UMTWBALFZLEAHF-UHFFFAOYSA-N -1 0 357.456 4.746 50 0 FJAARM O=C([O-])c1ccccc1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000048520869 571308730 /nfs/dbraw/zinc/30/87/30/571308730.db2.gz PUCQWHPLGQWHMN-UHFFFAOYSA-N -1 0 358.703 4.701 50 0 FJAARM C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000253404734 571312162 /nfs/dbraw/zinc/31/21/62/571312162.db2.gz DPHSKGSEDDIHLG-NSHDSACASA-N -1 0 374.849 4.785 50 0 FJAARM O=C(Nc1ccccc1Oc1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000096004274 571333847 /nfs/dbraw/zinc/33/38/47/571333847.db2.gz DHNJZCZJHQNRCN-UHFFFAOYSA-N -1 0 359.303 4.854 50 0 FJAARM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cc2s1 ZINC000002631482 571339608 /nfs/dbraw/zinc/33/96/08/571339608.db2.gz SBLCCDDLDVHSBC-UHFFFAOYSA-N -1 0 373.286 4.712 50 0 FJAARM O=C([O-])c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000003028819 571343700 /nfs/dbraw/zinc/34/37/00/571343700.db2.gz VZXQWJKZAFNPBB-UHFFFAOYSA-N -1 0 361.422 4.696 50 0 FJAARM CCc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000000685660 219313310 /nfs/dbraw/zinc/31/33/10/219313310.db2.gz DHZPSDNMUJKMQF-UHFFFAOYSA-N -1 0 362.248 4.986 50 0 FJAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000000941432 219343228 /nfs/dbraw/zinc/34/32/28/219343228.db2.gz SUDRNMNLHLDRNO-SOFGYWHQSA-N -1 0 353.201 4.679 50 0 FJAARM CC(C)c1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)no1 ZINC000225443958 209811786 /nfs/dbraw/zinc/81/17/86/209811786.db2.gz DZYUZDUKZHERTG-UHFFFAOYSA-N -1 0 369.657 4.559 50 0 FJAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000004592830 219590090 /nfs/dbraw/zinc/59/00/90/219590090.db2.gz IXBSEHDKONLMGO-ROUUACIJSA-N -1 0 371.820 4.738 50 0 FJAARM COc1ccc(-c2n[n-]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000005529769 219687792 /nfs/dbraw/zinc/68/77/92/219687792.db2.gz UAJGAJITULZZIW-UHFFFAOYSA-N -1 0 351.353 4.624 50 0 FJAARM CCOC(=O)c1ccc2nc([N-]c3nc4ccc(F)cc4s3)sc2c1 ZINC000004137786 209416235 /nfs/dbraw/zinc/41/62/35/209416235.db2.gz OOFVMTUISWNVKW-UHFFFAOYSA-N -1 0 373.434 4.965 50 0 FJAARM CCOP(=O)(OCC)[C@H](Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000001802517 209392090 /nfs/dbraw/zinc/39/20/90/209392090.db2.gz KLGUKMWHCLXGFQ-KRWDZBQOSA-N -1 0 363.350 4.762 50 0 FJAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(C)(C)C)cc1 ZINC000100137651 209208789 /nfs/dbraw/zinc/20/87/89/209208789.db2.gz CUXWTNCPWRDJCZ-UHFFFAOYSA-N -1 0 360.461 4.651 50 0 FJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(C)c1 ZINC000012526126 220003233 /nfs/dbraw/zinc/00/32/33/220003233.db2.gz PGDNZKUQCIJFFM-UHFFFAOYSA-N -1 0 363.788 4.776 50 0 FJAARM O=C([O-])c1ccc(/C=C2/C(=O)Nc3ccccc3N=C2c2ccccc2)cc1 ZINC000096920984 209161712 /nfs/dbraw/zinc/16/17/12/209161712.db2.gz DMPDFNORIISOIQ-NBVRZTHBSA-N -1 0 368.392 4.541 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1cccc(F)c1 ZINC000015082698 220147528 /nfs/dbraw/zinc/14/75/28/220147528.db2.gz GBFQMEDWARAEJB-AWEZNQCLSA-N -1 0 367.401 4.727 50 0 FJAARM CC[C@H](Sc1ncnc2scc(-c3ccc(Cl)cc3)c21)C(=O)[O-] ZINC000001930628 206899296 /nfs/dbraw/zinc/89/92/96/206899296.db2.gz AKFZPPYDMOWNLB-LBPRGKRZSA-N -1 0 364.879 4.967 50 0 FJAARM CCCCOC(=O)N=c1[n-]nc(CSCc2cccc(C)c2)s1 ZINC000002150263 206902313 /nfs/dbraw/zinc/90/23/13/206902313.db2.gz SRSBAPYTVRXTOJ-UHFFFAOYSA-N -1 0 351.497 4.629 50 0 FJAARM O=C([O-])c1ccccc1N(Cc1ccccc1)C(=O)c1ccccc1Cl ZINC000003167337 206959102 /nfs/dbraw/zinc/95/91/02/206959102.db2.gz DKVSKWRVIPKYET-UHFFFAOYSA-N -1 0 365.816 4.885 50 0 FJAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000004550873 207028378 /nfs/dbraw/zinc/02/83/78/207028378.db2.gz ACFQUUKSVVTRLU-WOJBJXKFSA-N -1 0 373.493 4.865 50 0 FJAARM CCn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000004813672 207050628 /nfs/dbraw/zinc/05/06/28/207050628.db2.gz JHSUXLZQFXLRRM-UHFFFAOYSA-N -1 0 373.865 4.609 50 0 FJAARM Cc1[n-]n2c(nc(Cc3ccccc3)cc2=O)c1-c1cccc2ccccc21 ZINC000005611855 207109003 /nfs/dbraw/zinc/10/90/03/207109003.db2.gz WTJLEHGKUIEXGZ-UHFFFAOYSA-N -1 0 365.436 4.742 50 0 FJAARM O=c1cc(CSc2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000006062795 207127987 /nfs/dbraw/zinc/12/79/87/207127987.db2.gz ALRNOGGVCXWQPL-UHFFFAOYSA-N -1 0 373.890 4.835 50 0 FJAARM Cc1ccc(Oc2c(=O)c3cc(C)c([O-])cc3oc2C(F)(F)F)cc1 ZINC000006199433 207133498 /nfs/dbraw/zinc/13/34/98/207133498.db2.gz NVTYFUJKJPJAGO-UHFFFAOYSA-N -1 0 350.292 4.927 50 0 FJAARM O=c1nn[n-]c2c1sc1nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000006742786 207159889 /nfs/dbraw/zinc/15/98/89/207159889.db2.gz YEVUPCQBCGYYAS-UHFFFAOYSA-N -1 0 356.410 4.674 50 0 FJAARM Cc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Cl)cc3)n2)cc1 ZINC000006748945 207160359 /nfs/dbraw/zinc/16/03/59/207160359.db2.gz OKKIIKVXDNMPBG-UHFFFAOYSA-N -1 0 363.804 4.952 50 0 FJAARM O=S(=O)([N-]c1ccccc1-c1ccc2ccccc2n1)c1cccs1 ZINC000033113747 208072816 /nfs/dbraw/zinc/07/28/16/208072816.db2.gz OTBWJXOFSATQIF-UHFFFAOYSA-N -1 0 366.467 4.764 50 0 FJAARM CCCCN(C)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053317 208356342 /nfs/dbraw/zinc/35/63/42/208356342.db2.gz XKHOGLDMPMKBLZ-UHFFFAOYSA-N -1 0 360.841 4.527 50 0 FJAARM CCCCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053477 208357588 /nfs/dbraw/zinc/35/75/88/208357588.db2.gz IHVYJYRXZIFTJM-UHFFFAOYSA-N -1 0 374.868 4.917 50 0 FJAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1 ZINC000046076994 208358745 /nfs/dbraw/zinc/35/87/45/208358745.db2.gz MKBZQOHNVDSNSD-HNNXBMFYSA-N -1 0 367.401 4.727 50 0 FJAARM CC(C)C(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000058474343 208585973 /nfs/dbraw/zinc/58/59/73/208585973.db2.gz ATMLFNQAEOEUDD-UHFFFAOYSA-N -1 0 366.442 4.770 50 0 FJAARM CC(C)c1nc2cc(NC(=O)CC3(CC(=O)[O-])CCCCC3)ccc2o1 ZINC000027057979 220529180 /nfs/dbraw/zinc/52/91/80/220529180.db2.gz HEFJEFPHONBCLH-UHFFFAOYSA-N -1 0 358.438 4.705 50 0 FJAARM COc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1OCc1ccccc1 ZINC000058203313 221106162 /nfs/dbraw/zinc/10/61/62/221106162.db2.gz COUSHXWNTBGFCS-CSKARUKUSA-N -1 0 367.426 4.599 50 0 FJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](CC(C)C)CC(=O)N3)cc1 ZINC000061717551 221134562 /nfs/dbraw/zinc/13/45/62/221134562.db2.gz UULGMJHCJVKFLQ-GFCCVEGCSA-N -1 0 359.447 4.594 50 0 FJAARM O=C([O-])C1(CCc2ccccc2)CCN(c2ccc3ccccc3n2)CC1 ZINC000071757175 136140517 /nfs/dbraw/zinc/14/05/17/136140517.db2.gz WGVIZPGBWQUASN-UHFFFAOYSA-N -1 0 360.457 4.539 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(Cl)cc1 ZINC000101860353 222285604 /nfs/dbraw/zinc/28/56/04/222285604.db2.gz IVAQCHRSUUTGRT-UHFFFAOYSA-N -1 0 363.848 4.963 50 0 FJAARM O=C([O-])c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1Cl ZINC000018194145 263373316 /nfs/dbraw/zinc/37/33/16/263373316.db2.gz XTPNIAMZGVKPCL-UHFFFAOYSA-N -1 0 365.816 4.809 50 0 FJAARM CC1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@@H]2C[C@@](C)(CC[C@H]21)O3 ZINC000230017540 560036079 /nfs/dbraw/zinc/03/60/79/560036079.db2.gz XUPOZHDUFRMVTF-GGOJBBCOSA-N -1 0 364.441 4.829 50 0 biogenic,in-vitro FJAARM Cc1oc2ccc(OCc3cccc(Br)c3)cc2c1C(=O)[O-] ZINC000000623912 570439246 /nfs/dbraw/zinc/43/92/46/570439246.db2.gz MHCAJMYMPCSIRY-UHFFFAOYSA-N -1 0 361.191 4.781 50 0 FJAARM CC1(C)[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC[C@]1(C)C(=O)[O-] ZINC000000705227 570451306 /nfs/dbraw/zinc/45/13/06/570451306.db2.gz ULXQSQPKEUJAQQ-XMSQKQJNSA-N -1 0 366.461 4.896 50 0 FJAARM CCOC(=O)c1c[n-]c2c(sc(C(F)(F)F)c2-c2ccccc2)c1=O ZINC000001039659 570474559 /nfs/dbraw/zinc/47/45/59/570474559.db2.gz RRAHAOGMBFISFL-UHFFFAOYSA-N -1 0 367.348 4.864 50 0 FJAARM COc1ccccc1[N-]S(=O)(=O)c1sc2ccc(Cl)cc2c1C ZINC000001040524 570474958 /nfs/dbraw/zinc/47/49/58/570474958.db2.gz RPELAWNEKQODNO-UHFFFAOYSA-N -1 0 367.879 4.673 50 0 FJAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cccc(Br)c2n1 ZINC000001272629 570496906 /nfs/dbraw/zinc/49/69/06/570496906.db2.gz JIDOVIBKPTYBGJ-UHFFFAOYSA-N -1 0 357.207 4.748 50 0 FJAARM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccc(Cl)cc1 ZINC000001400714 570498897 /nfs/dbraw/zinc/49/88/97/570498897.db2.gz XTXKUSRZJFEIQB-UHFFFAOYSA-N -1 0 352.743 4.813 50 0 FJAARM Cn1cc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])c2ccccc21 ZINC000002562046 570525002 /nfs/dbraw/zinc/52/50/02/570525002.db2.gz JVAZAHINMGGOFA-GOSISDBHSA-N -1 0 363.457 4.917 50 0 FJAARM O=C([O-])c1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000002881310 570542472 /nfs/dbraw/zinc/54/24/72/570542472.db2.gz IWPIEOVOMUWYFN-UHFFFAOYSA-N -1 0 370.202 4.553 50 0 FJAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1C ZINC000005121370 570586364 /nfs/dbraw/zinc/58/63/64/570586364.db2.gz RMKAUGVSVNOPLI-UHFFFAOYSA-N -1 0 374.687 4.520 50 0 FJAARM COc1cc2nc([N-]c3nc4c(cccc4F)s3)sc2cc1OC ZINC000005122893 570586848 /nfs/dbraw/zinc/58/68/48/570586848.db2.gz XECUTHLYELDCAT-UHFFFAOYSA-N -1 0 361.423 4.806 50 0 FJAARM CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2cc1[O-] ZINC000005576008 570631139 /nfs/dbraw/zinc/63/11/39/570631139.db2.gz KLFHDXUXQLLFTC-UHFFFAOYSA-N -1 0 352.283 4.886 50 0 FJAARM O=C([O-])c1ccc(-n2nc3c(c2-c2ccc(Cl)cc2)CCCC3)cc1 ZINC000005763627 570635169 /nfs/dbraw/zinc/63/51/69/570635169.db2.gz DHSWODKLMMAURM-UHFFFAOYSA-N -1 0 352.821 4.770 50 0 FJAARM COc1cccc(-c2nc3ccccc3c(NCc3ccccc3)n2)c1[O-] ZINC000013125549 570774149 /nfs/dbraw/zinc/77/41/49/570774149.db2.gz PRMOGYNWUAGZFA-UHFFFAOYSA-N -1 0 357.413 4.623 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccsc1 ZINC000015082332 570832463 /nfs/dbraw/zinc/83/24/63/570832463.db2.gz NUSAWMDTTCVQHF-LBPRGKRZSA-N -1 0 373.430 4.788 50 0 FJAARM O=c1c2sc3ccccc3c2[n-]c(=S)n1Cc1ccccc1Cl ZINC000102724390 570835971 /nfs/dbraw/zinc/83/59/71/570835971.db2.gz ILNKMAOWJLHILA-UHFFFAOYSA-N -1 0 358.875 4.975 50 0 FJAARM COC(=O)c1cccc(Nc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000018067279 570874860 /nfs/dbraw/zinc/87/48/60/570874860.db2.gz LPZSQDVZARJICN-UHFFFAOYSA-N -1 0 371.396 4.533 50 0 FJAARM COc1ccccc1-n1nc(-c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000025764001 571000190 /nfs/dbraw/zinc/00/01/90/571000190.db2.gz XKDABZUWFWKPNV-UHFFFAOYSA-N -1 0 363.200 4.553 50 0 FJAARM O=C([O-])/C(=C/C=C/c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1 ZINC000027642470 571016462 /nfs/dbraw/zinc/01/64/62/571016462.db2.gz LKRDACCQVSWURA-GUSDSWBTSA-N -1 0 373.861 4.694 50 0 FJAARM C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000008720902 571057965 /nfs/dbraw/zinc/05/79/65/571057965.db2.gz XGGYNOALMDYQAQ-VFNWGFHPSA-N -1 0 372.424 4.713 50 0 FJAARM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1cccc(Cl)c1 ZINC000001400719 571061497 /nfs/dbraw/zinc/06/14/97/571061497.db2.gz CDTFJQYRWAWYIM-UHFFFAOYSA-N -1 0 352.743 4.813 50 0 FJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000004592832 571062202 /nfs/dbraw/zinc/06/22/02/571062202.db2.gz IXBSEHDKONLMGO-ZWKOTPCHSA-N -1 0 371.820 4.738 50 0 FJAARM O=c1c2ccccc2[n-]c(=S)n1CCOc1ccccc1-c1ccccc1 ZINC000084562876 571089665 /nfs/dbraw/zinc/08/96/65/571089665.db2.gz VQBYEENJLAQWHW-UHFFFAOYSA-N -1 0 374.465 4.805 50 0 FJAARM O=c1c2ccccc2[n-]c(=S)n1[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000069630241 571100439 /nfs/dbraw/zinc/10/04/39/571100439.db2.gz OPQSUJDSBXPIDB-INIZCTEOSA-N -1 0 374.412 4.586 50 0 FJAARM O=C([O-])c1cc(Cl)ccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000004819269 571106599 /nfs/dbraw/zinc/10/65/99/571106599.db2.gz RXFKOBCMGWVLOT-UHFFFAOYSA-N -1 0 370.257 4.564 50 0 FJAARM CC(C)Oc1ccc(COc2ccc(C[C@H](C)C(=O)[O-])cc2Cl)cc1 ZINC000045068583 571133243 /nfs/dbraw/zinc/13/32/43/571133243.db2.gz NITWBBQHZOWOKQ-AWEZNQCLSA-N -1 0 362.853 4.969 50 0 FJAARM Cc1c(Cl)cccc1NC(=O)C[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000005921540 571168365 /nfs/dbraw/zinc/16/83/65/571168365.db2.gz HGOPOJGRIIDOBX-CYBMUJFWSA-N -1 0 366.244 4.574 50 0 FJAARM CCCCc1c(C)nc2c(Br)cccc2c1SCC(=O)[O-] ZINC000001867280 571172814 /nfs/dbraw/zinc/17/28/14/571172814.db2.gz HZHSOMOVVULWDV-UHFFFAOYSA-N -1 0 368.296 4.825 50 0 FJAARM CC(C)C[C@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccccc4)coc-3c21 ZINC000524729371 571190858 /nfs/dbraw/zinc/19/08/58/571190858.db2.gz QMBBQDBTDPTAOG-AWEZNQCLSA-N -1 0 364.397 4.604 50 0 FJAARM CCCn1c(=O)c(C(=O)[O-])c(Nc2ccc(Cl)cc2)c2ccccc21 ZINC000169565008 571242995 /nfs/dbraw/zinc/24/29/95/571242995.db2.gz FLMJXVCRHCENFO-UHFFFAOYSA-N -1 0 356.809 4.507 50 0 FJAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004356 571250206 /nfs/dbraw/zinc/25/02/06/571250206.db2.gz WSPUFTNSDXCKMY-UHFFFAOYSA-N -1 0 374.487 4.780 50 0 FJAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004041 571250235 /nfs/dbraw/zinc/25/02/35/571250235.db2.gz MIUIXDNGEDMCAJ-UHFFFAOYSA-N -1 0 374.487 4.698 50 0 FJAARM O=C([O-])Cc1c(-c2ccc(Cl)s2)oc2c1c(=O)oc1ccccc21 ZINC000524731293 571258654 /nfs/dbraw/zinc/25/86/54/571258654.db2.gz RTKZFJFXOHSAPT-UHFFFAOYSA-N -1 0 360.774 4.548 50 0 FJAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000170591284 571266129 /nfs/dbraw/zinc/26/61/29/571266129.db2.gz GULXEYVMEVZLMY-CXAGYDPISA-N -1 0 366.244 4.805 50 0 FJAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000170591287 571266152 /nfs/dbraw/zinc/26/61/52/571266152.db2.gz GULXEYVMEVZLMY-GUYCJALGSA-N -1 0 366.244 4.805 50 0 FJAARM COc1cc(-c2ccccc2)sc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000170641691 571277778 /nfs/dbraw/zinc/27/77/78/571277778.db2.gz OSIVOGNQMKALHZ-UHFFFAOYSA-N -1 0 371.389 4.513 50 0 FJAARM Cc1cccc2sc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)nc21 ZINC000002655248 571340218 /nfs/dbraw/zinc/34/02/18/571340218.db2.gz SMJDKPFNGPGFKY-UHFFFAOYSA-N -1 0 373.286 4.712 50 0 FJAARM O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000003342646 571347856 /nfs/dbraw/zinc/34/78/56/571347856.db2.gz FRCJPORSCXMVHA-UHFFFAOYSA-N -1 0 364.150 4.648 50 0 FJAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000003362212 571348340 /nfs/dbraw/zinc/34/83/40/571348340.db2.gz XMMTUZUENRRFHK-UHFFFAOYSA-N -1 0 356.472 4.677 50 0 FJAARM COc1ccc2nc([N-]c3nnc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000004137759 571355978 /nfs/dbraw/zinc/35/59/78/571355978.db2.gz FONFKNCXPXGJJH-UHFFFAOYSA-N -1 0 358.810 4.752 50 0 FJAARM c1csc(-c2csc([N-]c3nc4cc5c(cc4s3)OCO5)n2)c1 ZINC000004137818 571356026 /nfs/dbraw/zinc/35/60/26/571356026.db2.gz QYVWNUBWVXRNQH-UHFFFAOYSA-N -1 0 359.457 4.954 50 0 FJAARM Cc1ccc(C(=O)N(Cc2cccs2)c2ccc(C(=O)[O-])cc2)cc1 ZINC000008302529 571360295 /nfs/dbraw/zinc/36/02/95/571360295.db2.gz DPGPSLGVIHNDNL-UHFFFAOYSA-N -1 0 351.427 4.602 50 0 FJAARM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001027880 219355002 /nfs/dbraw/zinc/35/50/02/219355002.db2.gz ZTZSRMTVRCPQJT-UHFFFAOYSA-N -1 0 371.483 4.727 50 0 FJAARM CCOc1ccc(Nc2nc(-c3cccs3)c(CC(=O)[O-])s2)cc1 ZINC000006822666 219775267 /nfs/dbraw/zinc/77/52/67/219775267.db2.gz JBCAJZYCCPAJHX-UHFFFAOYSA-N -1 0 360.460 4.641 50 0 FJAARM COc1cccc(/C=C(\SCC(=O)[O-])c2nc3ccccc3s2)c1 ZINC000007911855 219832854 /nfs/dbraw/zinc/83/28/54/219832854.db2.gz NVICMEJMTOBGBP-YBEGLDIGSA-N -1 0 357.456 4.621 50 0 FJAARM CC(C)[C@@H](Nc1nc(-c2ccccc2)nc2c3ccccc3oc21)C(=O)[O-] ZINC000002593530 209394822 /nfs/dbraw/zinc/39/48/22/209394822.db2.gz HKKYNQSIQIBIBO-MRXNPFEDSA-N -1 0 361.401 4.564 50 0 FJAARM COc1cccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)c1OC(F)F ZINC000096792012 209157960 /nfs/dbraw/zinc/15/79/60/209157960.db2.gz JMDIWQZRTOFZAL-KTKRTIGZSA-N -1 0 371.339 4.713 50 0 FJAARM O=C([O-])c1sccc1Oc1ccccc1NC(=O)CCc1ccccc1 ZINC000012959867 220046626 /nfs/dbraw/zinc/04/66/26/220046626.db2.gz JLHYXLSVYYSXKW-UHFFFAOYSA-N -1 0 367.426 4.810 50 0 FJAARM O=C([O-])c1cc(Cl)c(OCc2cc(-c3ccccc3)no2)c(Cl)c1 ZINC000013043892 220056246 /nfs/dbraw/zinc/05/62/46/220056246.db2.gz APCTWAOVJYGBBS-UHFFFAOYSA-N -1 0 364.184 4.926 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(Cl)cc1 ZINC000013116636 220058289 /nfs/dbraw/zinc/05/82/89/220058289.db2.gz OVCLEYWEBGMHRH-UHFFFAOYSA-N -1 0 363.848 4.551 50 0 FJAARM CC(C)Cn1c2ccccc2nc1[C@@H](CNc1ccc(F)cc1)CC(=O)[O-] ZINC000017113352 220206103 /nfs/dbraw/zinc/20/61/03/220206103.db2.gz JAJGACUCICOUHU-OAHLLOKOSA-N -1 0 369.440 4.502 50 0 FJAARM Cc1ccc(-c2coc3c2cc2c(C)c(CC(=O)[O-])c(=O)oc2c3C)cc1 ZINC000002122298 206902877 /nfs/dbraw/zinc/90/28/77/206902877.db2.gz GWVSDPPZUZTSHQ-UHFFFAOYSA-N -1 0 362.381 4.759 50 0 FJAARM Cc1cc(C)c2c(n1)sc(C(=O)[O-])c2NC(=O)c1ccccc1Cl ZINC000003424036 206977601 /nfs/dbraw/zinc/97/76/01/206977601.db2.gz NOUUNSXFBDRSJL-UHFFFAOYSA-N -1 0 360.822 4.517 50 0 FJAARM O=C([O-])c1cc(-c2cccc(Cl)c2)nc2nc(N3CCCCC3)sc21 ZINC000003440409 206979033 /nfs/dbraw/zinc/97/90/33/206979033.db2.gz NQUARGOVHABFHH-UHFFFAOYSA-N -1 0 373.865 4.700 50 0 FJAARM CCCCCCc1cc2c(cc1O[C@@H](C)C(=O)[O-])oc(=O)c1c2CCCC1 ZINC000004151980 207002716 /nfs/dbraw/zinc/00/27/16/207002716.db2.gz JRQQLKKJCGKFDO-AWEZNQCLSA-N -1 0 372.461 4.647 50 0 FJAARM C[C@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004602060 207032338 /nfs/dbraw/zinc/03/23/38/207032338.db2.gz GOONKHBSKADUIL-RISCZKNCSA-N -1 0 366.244 4.827 50 0 FJAARM O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000005344489 207094488 /nfs/dbraw/zinc/09/44/88/207094488.db2.gz LBQUFQVKTAOABB-CQSZACIVSA-N -1 0 367.626 4.544 50 0 FJAARM CCc1cc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2cc1[O-] ZINC000005576001 207106941 /nfs/dbraw/zinc/10/69/41/207106941.db2.gz YZGWREJOILONLU-UHFFFAOYSA-N -1 0 350.292 4.872 50 0 FJAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(CCc4ccc(F)cc4)c(=O)c32)C1 ZINC000006511846 207143666 /nfs/dbraw/zinc/14/36/66/207143666.db2.gz SIVBMMMSNCBXFO-NSHDSACASA-N -1 0 374.506 4.627 50 0 FJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)cc1 ZINC000006749022 207159626 /nfs/dbraw/zinc/15/96/26/207159626.db2.gz MADAYRWLDQKJMV-UHFFFAOYSA-N -1 0 373.412 4.697 50 0 FJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000006651520 207152400 /nfs/dbraw/zinc/15/24/00/207152400.db2.gz FYEVHQRGMWNDPU-UHFFFAOYSA-N -1 0 367.898 4.755 50 0 FJAARM COc1ccc(-n2c(=S)[n-]nc2[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000007275915 207192574 /nfs/dbraw/zinc/19/25/74/207192574.db2.gz QKLMFWKDGOWBSV-JKSUJKDBSA-N -1 0 357.866 4.863 50 0 FJAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000008190093 207223614 /nfs/dbraw/zinc/22/36/14/207223614.db2.gz CUZOMZPRXHWECC-UHFFFAOYSA-N -1 0 374.421 4.914 50 0 FJAARM CCc1cc2c([n-]c(=S)n(CCc3cccc(Cl)c3)c2=O)s1 ZINC000017072825 207605968 /nfs/dbraw/zinc/60/59/68/207605968.db2.gz MVIHDVVVDLZXSK-UHFFFAOYSA-N -1 0 350.896 4.579 50 0 FJAARM CCSc1ccc([N-]S(=O)(=O)c2cccc3nc(C)sc32)cc1 ZINC000030836271 208005972 /nfs/dbraw/zinc/00/59/72/208005972.db2.gz PCXUJOWAMRSBHZ-UHFFFAOYSA-N -1 0 364.517 4.518 50 0 FJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(C)s2)n1 ZINC000033290010 208081552 /nfs/dbraw/zinc/08/15/52/208081552.db2.gz PTQWXNWXHYBHBI-UHFFFAOYSA-N -1 0 364.517 4.598 50 0 FJAARM CCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528651 208204153 /nfs/dbraw/zinc/20/41/53/208204153.db2.gz DSEDZIUESKRBOW-HXUWFJFHSA-N -1 0 367.445 4.559 50 0 FJAARM O=[P@]([O-])(CCc1ccccc1)[C@H](NCc1ccccc1)c1ccccc1 ZINC000020566952 220333497 /nfs/dbraw/zinc/33/34/97/220333497.db2.gz LGAYKRRLZVMOOE-QFIPXVFZSA-N -1 0 365.413 4.988 50 0 FJAARM Cc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccccc2)CC(=O)N3)cc1 ZINC000064795862 208623091 /nfs/dbraw/zinc/62/30/91/208623091.db2.gz BINIBAXMGYPPLE-HNNXBMFYSA-N -1 0 363.438 4.896 50 0 FJAARM Cc1ccc2c(c1)Cc1c(nc(-c3ccc(C(=O)[O-])cc3)[nH]c1=S)O2 ZINC000020861676 220342398 /nfs/dbraw/zinc/34/23/98/220342398.db2.gz WJWUMVOMVCBPBH-UHFFFAOYSA-N -1 0 350.399 4.509 50 0 FJAARM CC(C)c1ccc([C@H](NC(=O)CC(C)(C)CC(=O)[O-])c2cccs2)cc1 ZINC000029010981 220590685 /nfs/dbraw/zinc/59/06/85/220590685.db2.gz CSOBYKVVMICRAY-FQEVSTJZSA-N -1 0 373.518 4.968 50 0 FJAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(C)c(C)c2)cc1 ZINC000064757498 221150809 /nfs/dbraw/zinc/15/08/09/221150809.db2.gz CTHNUXLSAXLQTD-UHFFFAOYSA-N -1 0 367.474 4.551 50 0 FJAARM O=S1(=O)[N-]c2ccc(Cl)cc2C(c2ccccc2)=Nc2ccccc21 ZINC000071770091 221373515 /nfs/dbraw/zinc/37/35/15/221373515.db2.gz YJECUTCBASBELI-UHFFFAOYSA-N -1 0 368.845 4.623 50 0 FJAARM C[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)c(C(=O)[O-])c2)C1 ZINC000035482639 132374459 /nfs/dbraw/zinc/37/44/59/132374459.db2.gz CYOPRDRXMYGJTA-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM CCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583308 263145258 /nfs/dbraw/zinc/14/52/58/263145258.db2.gz DSEDZIUESKRBOW-FQEVSTJZSA-N -1 0 367.445 4.559 50 0 FJAARM O=C([O-])Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002583043 560188264 /nfs/dbraw/zinc/18/82/64/560188264.db2.gz DFSRRXZHWJUCFU-UHFFFAOYSA-N -1 0 373.408 4.675 50 0 in-vitro FJAARM CCCCCc1nnc(NC(=O)c2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000032786991 568405097 /nfs/dbraw/zinc/40/50/97/568405097.db2.gz JIZWRPMPBLCWFL-UHFFFAOYSA-N -1 0 360.266 4.536 50 0 FJAARM Cc1ccc(-c2ccc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2)cc1 ZINC000223364074 568645687 /nfs/dbraw/zinc/64/56/87/568645687.db2.gz IOAKVAPQGOIURP-UHFFFAOYSA-N -1 0 351.446 4.569 50 0 FJAARM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000001040578 570475033 /nfs/dbraw/zinc/47/50/33/570475033.db2.gz NCWXYBRSDAYPSP-UHFFFAOYSA-N -1 0 351.880 4.972 50 0 FJAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000004889309 570555203 /nfs/dbraw/zinc/55/52/03/570555203.db2.gz IIRJUWJBWJFYHX-UHFFFAOYSA-N -1 0 354.189 4.589 50 0 FJAARM O=C([O-])Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccc(F)cc1 ZINC000005023159 570576234 /nfs/dbraw/zinc/57/62/34/570576234.db2.gz QCJUBGOWJPPAFP-UHFFFAOYSA-N -1 0 362.813 4.973 50 0 FJAARM CC1(C)C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2c3ccccc3ccc21 ZINC000004489245 570592436 /nfs/dbraw/zinc/59/24/36/570592436.db2.gz VJZSQEZLBSSNBX-SFHVURJKSA-N -1 0 357.409 4.921 50 0 FJAARM O=C([O-])/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000011945987 570602959 /nfs/dbraw/zinc/60/29/59/570602959.db2.gz YNTGKNZQRBPXLM-SOFGYWHQSA-N -1 0 367.626 4.779 50 0 FJAARM Cc1c(C(=O)[O-])oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000006751191 570653583 /nfs/dbraw/zinc/65/35/83/570653583.db2.gz JXOZHNWLYMWADI-HXUWFJFHSA-N -1 0 370.788 4.973 50 0 FJAARM COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccccc2)c(Cl)c3=O)cc1 ZINC000008018259 570675949 /nfs/dbraw/zinc/67/59/49/570675949.db2.gz IQLWLXSHHYDFMH-UHFFFAOYSA-N -1 0 365.820 4.739 50 0 FJAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1ccccc1Cl ZINC000005575999 570677210 /nfs/dbraw/zinc/67/72/10/570677210.db2.gz BVWJUVHRGOFESN-UHFFFAOYSA-N -1 0 372.804 4.558 50 0 FJAARM CCc1ccc(-c2nc(-c3ccccc3OC)sc2CC(=O)[O-])cc1 ZINC000002955995 570677536 /nfs/dbraw/zinc/67/75/36/570677536.db2.gz XIUQHSXLOAMGAZ-UHFFFAOYSA-N -1 0 353.443 4.675 50 0 FJAARM CC(C)(C)c1ccc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1 ZINC000012336765 570737753 /nfs/dbraw/zinc/73/77/53/570737753.db2.gz CRPGJWHGKJNBKZ-FPOVZHCZSA-N -1 0 365.473 4.549 50 0 FJAARM O=C1S/C(=C/c2cc(Cl)cc(Cl)c2[O-])C(=O)N1c1ccccc1 ZINC000015011600 570829259 /nfs/dbraw/zinc/82/92/59/570829259.db2.gz XFNLVHMZPNIKKD-NTUHNPAUSA-N -1 0 366.225 4.940 50 0 FJAARM O=C([O-])c1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000020304043 570914379 /nfs/dbraw/zinc/91/43/79/570914379.db2.gz PUJFAIIYJFJALD-UHFFFAOYSA-N -1 0 359.578 4.519 50 0 FJAARM CCCN(CCC)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000046053371 570921874 /nfs/dbraw/zinc/92/18/74/570921874.db2.gz HNYOZNCXEZLFJN-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 ZINC000023716956 570966896 /nfs/dbraw/zinc/96/68/96/570966896.db2.gz VHMIZJLDJNAVPW-UHFFFAOYSA-N -1 0 372.273 4.614 50 0 FJAARM COCc1cccc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 ZINC000026547328 571006550 /nfs/dbraw/zinc/00/65/50/571006550.db2.gz LENFLKUQGOSKNE-UHFFFAOYSA-N -1 0 374.289 4.557 50 0 FJAARM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000028248749 571028253 /nfs/dbraw/zinc/02/82/53/571028253.db2.gz CVEPTZQFZBOGPS-UHFFFAOYSA-N -1 0 365.524 4.510 50 0 FJAARM Cc1cc(Nc2ccccc2C(=O)[O-])c2cc(Br)ccc2n1 ZINC000001278265 571045913 /nfs/dbraw/zinc/04/59/13/571045913.db2.gz OKVWCQLPQVNNEU-UHFFFAOYSA-N -1 0 357.207 4.748 50 0 FJAARM CCc1cc(C(=O)[O-])c(NC(=O)C(c2ccccc2)c2ccccc2)s1 ZINC000001303403 571048354 /nfs/dbraw/zinc/04/83/54/571048354.db2.gz ZSEOOEKXCPPTGW-UHFFFAOYSA-N -1 0 365.454 4.779 50 0 FJAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)s1 ZINC000083825520 571050999 /nfs/dbraw/zinc/05/09/99/571050999.db2.gz NTGCQGDAJFGLDU-UHFFFAOYSA-N -1 0 371.574 4.590 50 0 FJAARM CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000071286489 571063823 /nfs/dbraw/zinc/06/38/23/571063823.db2.gz UUEBKYPCBGCVRL-MRXNPFEDSA-N -1 0 371.462 4.678 50 0 FJAARM CCCCc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000037385871 571082286 /nfs/dbraw/zinc/08/22/86/571082286.db2.gz BDUBNUZPGCWHCZ-UHFFFAOYSA-N -1 0 368.296 4.593 50 0 FJAARM Cc1ccc2nc(-c3ccc(NC(=O)CCCCC(=O)[O-])cc3)sc2c1 ZINC000004950394 571092251 /nfs/dbraw/zinc/09/22/51/571092251.db2.gz YABHIJGGNZUATD-UHFFFAOYSA-N -1 0 368.458 4.855 50 0 FJAARM Cc1ccc(-c2[nH]nc3nc(C=Cc4ccccc4)cc(C(=O)[O-])c32)cc1 ZINC000072333493 571122896 /nfs/dbraw/zinc/12/28/96/571122896.db2.gz RNWFGWOWDVUYLY-FMIVXFBMSA-N -1 0 355.397 4.802 50 0 FJAARM CCc1c(-c2csc(-c3cccc(C(=O)[O-])c3)n2)[nH]c(C)c1C(C)=O ZINC000058342345 571130999 /nfs/dbraw/zinc/13/09/99/571130999.db2.gz JLAQKIGFHRBGGK-UHFFFAOYSA-N -1 0 354.431 4.577 50 0 FJAARM COc1ccc(COc2ccc(C[C@H](C)C(=O)[O-])cc2Cl)cc1Cl ZINC000045068592 571133391 /nfs/dbraw/zinc/13/33/91/571133391.db2.gz OTFUWWMLGHYHPJ-NSHDSACASA-N -1 0 369.244 4.844 50 0 FJAARM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1Cl ZINC000004679763 571158816 /nfs/dbraw/zinc/15/88/16/571158816.db2.gz DDYDYJYCXBRLJM-QHHAFSJGSA-N -1 0 370.619 4.997 50 0 FJAARM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414271 571158983 /nfs/dbraw/zinc/15/89/83/571158983.db2.gz RHNUUSGUDCNRSB-UHFFFAOYSA-N -1 0 367.257 4.651 50 0 FJAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000004685901 571160250 /nfs/dbraw/zinc/16/02/50/571160250.db2.gz XZQOYSAOYZMONC-AWEZNQCLSA-N -1 0 372.635 4.593 50 0 FJAARM O=C(c1cnc2c(c1)COc1ccc(Cl)cc1-2)c1cc(Cl)ccc1[O-] ZINC000006224469 571167220 /nfs/dbraw/zinc/16/72/20/571167220.db2.gz RQGZKRAYFPRKHG-UHFFFAOYSA-N -1 0 372.207 4.884 50 0 FJAARM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000001217970 571171192 /nfs/dbraw/zinc/17/11/92/571171192.db2.gz UDHRBSNBQXQVIT-UHFFFAOYSA-N -1 0 370.179 4.813 50 0 FJAARM O=C([O-])c1ccccc1NC(=O)/C(Cl)=C/c1ccc(Cl)c(Cl)c1 ZINC000077024561 571205788 /nfs/dbraw/zinc/20/57/88/571205788.db2.gz CTDIQJBZKRRDAL-JYRVWZFOSA-N -1 0 370.619 4.910 50 0 FJAARM Cc1csc(-c2csc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)n1 ZINC000033297627 571230865 /nfs/dbraw/zinc/23/08/65/571230865.db2.gz HTVOAMYXKBTQBP-UHFFFAOYSA-N -1 0 364.517 4.598 50 0 FJAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000064820483 571243928 /nfs/dbraw/zinc/24/39/28/571243928.db2.gz OSWCIKQMJPPAKU-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820729 571244034 /nfs/dbraw/zinc/24/40/34/571244034.db2.gz LWPDXWKSRPKOGA-UHFFFAOYSA-N -1 0 360.841 4.527 50 0 FJAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1 ZINC000065004047 571250152 /nfs/dbraw/zinc/25/01/52/571250152.db2.gz GUTBAGUVYQYUPK-UHFFFAOYSA-N -1 0 374.487 4.644 50 0 FJAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004046 571250156 /nfs/dbraw/zinc/25/01/56/571250156.db2.gz BSTLPEKGNYZSJZ-UHFFFAOYSA-N -1 0 374.487 4.644 50 0 FJAARM Cc1ccc(C)c(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)c1 ZINC000006844775 571250410 /nfs/dbraw/zinc/25/04/10/571250410.db2.gz XOKMBFARUNRTBK-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM CCc1csc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000065116807 571254409 /nfs/dbraw/zinc/25/44/09/571254409.db2.gz USLPIZZGFCMAKK-UHFFFAOYSA-N -1 0 364.517 4.543 50 0 FJAARM CCc1cc(C(=O)OC)c(NC(=S)[N-]c2ccccc2SC)s1 ZINC000006940910 571255326 /nfs/dbraw/zinc/25/53/26/571255326.db2.gz GSNMEZVYOWSANF-UHFFFAOYSA-N -1 0 366.533 4.628 50 0 FJAARM O=C([O-])CS/C(=C\c1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000036784252 571262949 /nfs/dbraw/zinc/26/29/49/571262949.db2.gz BEXSKYHFZIWSQG-NVNXTCNLSA-N -1 0 363.410 4.890 50 0 FJAARM Cc1ccccc1-c1nc2cc(C(=O)[O-])c(=O)cc-2[nH]c1-c1ccccc1C ZINC000019898197 571308227 /nfs/dbraw/zinc/30/82/27/571308227.db2.gz DOYDYNBNOVISDB-UHFFFAOYSA-N -1 0 370.408 4.984 50 0 FJAARM O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)SC1CCCCC1 ZINC000004118244 571355547 /nfs/dbraw/zinc/35/55/47/571355547.db2.gz COGGSKGILQHSPL-OAHLLOKOSA-N -1 0 371.296 4.541 50 0 FJAARM Fc1ccc2nc([N-]c3nc4cc5c(cc4s3)OCCO5)sc2c1 ZINC000004137839 571356029 /nfs/dbraw/zinc/35/60/29/571356029.db2.gz QSOMZIBTZRYYGF-UHFFFAOYSA-N -1 0 359.407 4.560 50 0 aggregator FJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c(C)c1 ZINC000000647750 219309392 /nfs/dbraw/zinc/30/93/92/219309392.db2.gz WGIPFPVIJZUIFT-UHFFFAOYSA-N -1 0 356.219 4.979 50 0 FJAARM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000000753345 219318273 /nfs/dbraw/zinc/31/82/73/219318273.db2.gz FZAIJPGEEOQDHR-UHFFFAOYSA-N -1 0 350.654 4.756 50 0 FJAARM Cc1nc2cc(C)ccn2c1-c1csc(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000000853349 219331218 /nfs/dbraw/zinc/33/12/18/219331218.db2.gz WCFVPEYROOCQPO-UHFFFAOYSA-N -1 0 364.430 4.516 50 0 FJAARM Cc1cc(C)nc([N-]c2nc(-c3ccc(Br)cc3)cs2)n1 ZINC000000983702 219349714 /nfs/dbraw/zinc/34/97/14/219349714.db2.gz ZQDIQQXTSQUGAC-UHFFFAOYSA-N -1 0 361.268 4.723 50 0 FJAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001046021 219357411 /nfs/dbraw/zinc/35/74/11/219357411.db2.gz WNVMQFIRNJVNDT-UHFFFAOYSA-N -1 0 371.277 4.554 50 0 FJAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c(C)c1 ZINC000001233333 219391470 /nfs/dbraw/zinc/39/14/70/219391470.db2.gz LTRDWGSVBGCJCI-UHFFFAOYSA-N -1 0 360.866 4.614 50 0 FJAARM O=C([O-])c1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002379945 219440453 /nfs/dbraw/zinc/44/04/53/219440453.db2.gz FNRIRVWOQHFTMB-UHFFFAOYSA-N -1 0 374.421 4.914 50 0 FJAARM O=C([O-])COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000003017695 219481765 /nfs/dbraw/zinc/48/17/65/219481765.db2.gz GSKAGXBVASNNGT-UHFFFAOYSA-N -1 0 370.408 4.874 50 0 FJAARM CC1(C)[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@]1(C)C(=O)[O-] ZINC000004474064 219577364 /nfs/dbraw/zinc/57/73/64/219577364.db2.gz XHROHRKPVNEWHD-XMSQKQJNSA-N -1 0 367.445 4.945 50 0 FJAARM COc1ccc(-c2nc(-c3ccc(C)cc3C)c(CC(=O)[O-])s2)cc1 ZINC000004676614 219593538 /nfs/dbraw/zinc/59/35/38/219593538.db2.gz DWSMQPBQEUNGRM-UHFFFAOYSA-N -1 0 353.443 4.730 50 0 FJAARM O=C([O-])Cc1sc(NNc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000010219090 219896143 /nfs/dbraw/zinc/89/61/43/219896143.db2.gz GTNBUJHZEBHMLD-UHFFFAOYSA-N -1 0 359.838 4.530 50 0 FJAARM Cc1[n-]n2c(nc(C)c(Cc3ccc(Cl)cc3)c2=O)c1-c1ccccc1 ZINC000102675363 209239274 /nfs/dbraw/zinc/23/92/74/209239274.db2.gz FZHCYFXJYMRCET-UHFFFAOYSA-N -1 0 363.848 4.963 50 0 FJAARM COc1ccc(C(=O)[C@@H](C(=O)C=C([O-])c2ccccc2)c2ccccc2)cc1 ZINC000101034475 209220093 /nfs/dbraw/zinc/22/00/93/209220093.db2.gz LBSCHRFFCKHVHX-HSZRJFAPSA-N -1 0 372.420 4.504 50 0 FJAARM O=C(C(=C([O-])c1ccccc1)C12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000100187295 209210294 /nfs/dbraw/zinc/21/02/94/209210294.db2.gz PTPGUPXRGOETLV-QAQURRIXSA-N -1 0 350.380 4.833 50 0 FJAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)C1(c2ccccc2)CC1 ZINC000012601083 220012823 /nfs/dbraw/zinc/01/28/23/220012823.db2.gz ZFHAIESTDCNBDP-UHFFFAOYSA-N -1 0 363.438 4.784 50 0 FJAARM COc1ccc(CSCCc2n[n-]c(=S)n2-c2ccccc2)cc1C ZINC000013152805 220059739 /nfs/dbraw/zinc/05/97/39/220059739.db2.gz PXYCSTPYCYPSIT-UHFFFAOYSA-N -1 0 371.531 4.723 50 0 FJAARM CCOc1ccc(NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000017073738 220204304 /nfs/dbraw/zinc/20/43/04/220204304.db2.gz CJFPAPAXBQUPLC-UHFFFAOYSA-N -1 0 357.262 4.907 50 0 FJAARM O=c1cc([O-])c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2[nH]1 ZINC000018067858 220223786 /nfs/dbraw/zinc/22/37/86/220223786.db2.gz KBUPMWTZONXLGG-UHFFFAOYSA-N -1 0 368.361 4.591 50 0 FJAARM O=C([O-])C/C(=C/c1cc2c(c(Cl)c1)OCO2)c1nc2ccccc2s1 ZINC000096843511 206807058 /nfs/dbraw/zinc/80/70/58/206807058.db2.gz CXEYVDYRTNUZDG-WZUFQYTHSA-N -1 0 373.817 4.694 50 0 FJAARM CC(=O)Nc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000005754768 207114336 /nfs/dbraw/zinc/11/43/36/207114336.db2.gz QIWHQFCONUOEQV-NTCAYCPXSA-N -1 0 366.442 4.660 50 0 FJAARM CC(C)(C)c1nn(-c2ccccc2)c2ncc(C(=O)c3ccccc3[O-])cc12 ZINC000005938741 207123412 /nfs/dbraw/zinc/12/34/12/207123412.db2.gz KNXIPIJFNVILCF-UHFFFAOYSA-N -1 0 371.440 4.655 50 0 FJAARM Cc1c(Cl)cccc1NC(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000005921541 207123604 /nfs/dbraw/zinc/12/36/04/207123604.db2.gz HGOPOJGRIIDOBX-ZDUSSCGKSA-N -1 0 366.244 4.574 50 0 FJAARM CC(C)Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(F)cc3F)n2)cc1 ZINC000005977027 207125481 /nfs/dbraw/zinc/12/54/81/207125481.db2.gz IIAYOTAGNKYUAW-UHFFFAOYSA-N -1 0 356.372 4.714 50 0 FJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(C)c2)C1 ZINC000006047184 207126550 /nfs/dbraw/zinc/12/65/50/207126550.db2.gz DVZHBPQQXUJZQF-SFQUDFHCSA-N -1 0 358.441 4.618 50 0 FJAARM COc1ccc(/C=C(\SCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000007911816 207211255 /nfs/dbraw/zinc/21/12/55/207211255.db2.gz SNKCGSIUEGIJMI-YBEGLDIGSA-N -1 0 357.456 4.621 50 0 FJAARM CCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1OC ZINC000033530716 208093947 /nfs/dbraw/zinc/09/39/47/208093947.db2.gz YDYNTZJOAJVLNK-UVTDQMKNSA-N -1 0 369.442 4.719 50 0 FJAARM O=C([O-])c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl ZINC000020137057 220313975 /nfs/dbraw/zinc/31/39/75/220313975.db2.gz MCYHHBITKNPIGK-UHFFFAOYSA-N -1 0 365.816 4.809 50 0 FJAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C)c1 ZINC000064820522 221152611 /nfs/dbraw/zinc/15/26/11/221152611.db2.gz NFSABAZULXCAHU-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820332 221152757 /nfs/dbraw/zinc/15/27/57/221152757.db2.gz GPNHWPBJNVLBCH-UHFFFAOYSA-N -1 0 360.841 4.527 50 0 FJAARM O=c1oc2ccccc2c([O-])c1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000068728507 221318557 /nfs/dbraw/zinc/31/85/57/221318557.db2.gz XZIDQCMSTQXOSE-UHFFFAOYSA-N -1 0 364.347 4.957 50 0 FJAARM Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2C(=O)CCCC(=O)[O-] ZINC000004313937 132386904 /nfs/dbraw/zinc/38/69/04/132386904.db2.gz IDXLBSTUJMLQJZ-AEFFLSMTSA-N -1 0 351.446 4.507 50 0 FJAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])C1 ZINC000046053433 136122042 /nfs/dbraw/zinc/12/20/42/136122042.db2.gz NCPDCYMMTAQYJG-CYBMUJFWSA-N -1 0 372.852 4.527 50 0 FJAARM O=C([O-])/C=C\c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 ZINC000096936591 222143887 /nfs/dbraw/zinc/14/38/87/222143887.db2.gz ROOQKHQSDGQISJ-GHXNOFRVSA-N -1 0 371.392 4.865 50 0 FJAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc2ccccc21 ZINC000100137636 222235846 /nfs/dbraw/zinc/23/58/46/222235846.db2.gz MXCNNFLSDUWUCZ-UHFFFAOYSA-N -1 0 354.413 4.507 50 0 FJAARM Cc1ccc(SCc2cc(=O)n(-c3nc4ccccc4s3)[n-]2)cc1 ZINC000100758588 222252070 /nfs/dbraw/zinc/25/20/70/222252070.db2.gz SJCOIVQDARNKDO-UHFFFAOYSA-N -1 0 353.472 4.788 50 0 FJAARM O=C([O-])c1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1Cl ZINC000018194141 263373412 /nfs/dbraw/zinc/37/34/12/263373412.db2.gz IDLLXOPALVHXKH-UHFFFAOYSA-N -1 0 351.789 4.958 50 0 FJAARM CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000954342 570466167 /nfs/dbraw/zinc/46/61/67/570466167.db2.gz AOWURYHNXOUXSH-UHFFFAOYSA-N -1 0 370.792 4.507 50 0 FJAARM Nc1sc(-c2ccccc2)cc1-c1n[n-]c(=S)n1-c1ccccc1 ZINC000001036212 570473765 /nfs/dbraw/zinc/47/37/65/570473765.db2.gz KBTDGIFLIQOAQP-UHFFFAOYSA-N -1 0 350.472 4.908 50 0 FJAARM CC(=O)OCc1cccc2cccc(Sc3ccccc3C(=O)[O-])c21 ZINC000001039001 570474021 /nfs/dbraw/zinc/47/40/21/570474021.db2.gz GMBALFZEMXJZPI-UHFFFAOYSA-N -1 0 352.411 4.752 50 0 FJAARM Cc1ccc(Sc2ncccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001043465 570476004 /nfs/dbraw/zinc/47/60/04/570476004.db2.gz NVFHTGKMRPGIOA-UHFFFAOYSA-N -1 0 370.499 4.650 50 0 FJAARM Cc1cc(Nc2ccccc2C(=O)[O-])n(-c2c(Cl)cccc2Cl)n1 ZINC000001043222 570476138 /nfs/dbraw/zinc/47/61/38/570476138.db2.gz IMZIUMKYKLZZFT-UHFFFAOYSA-N -1 0 362.216 4.929 50 0 FJAARM Cc1ccnc([N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 ZINC000001188537 570490843 /nfs/dbraw/zinc/49/08/43/570490843.db2.gz IFPQHCYQCHTSSU-UHFFFAOYSA-N -1 0 360.523 4.786 50 0 FJAARM O=C([O-])c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000002850338 570537417 /nfs/dbraw/zinc/53/74/17/570537417.db2.gz PONYFNURWSZVPA-UHFFFAOYSA-N -1 0 370.257 4.564 50 0 FJAARM Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000004043994 570573928 /nfs/dbraw/zinc/57/39/28/570573928.db2.gz ZGJRIPYPWSYVCH-UHFFFAOYSA-N -1 0 366.344 4.589 50 0 FJAARM Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)c1 ZINC000004593176 570597342 /nfs/dbraw/zinc/59/73/42/570597342.db2.gz UYCYKBRZXGOMPH-WOJBJXKFSA-N -1 0 365.429 4.701 50 0 FJAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)Sc1ccc(Cl)cc1 ZINC000005633778 570632096 /nfs/dbraw/zinc/63/20/96/570632096.db2.gz NUIKPFYSXNMSBI-HNNXBMFYSA-N -1 0 355.242 4.812 50 0 FJAARM CCCCc1ccc(N2C(=O)c3cccc4c(C(=O)[O-])ccc(c43)C2=O)cc1 ZINC000005713669 570633825 /nfs/dbraw/zinc/63/38/25/570633825.db2.gz XZJIHODVWVXFEH-UHFFFAOYSA-N -1 0 373.408 4.681 50 0 FJAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ncccc2C)c2ccccc12 ZINC000011565933 570703561 /nfs/dbraw/zinc/70/35/61/570703561.db2.gz GSCUFTZUKNYREQ-UHFFFAOYSA-N -1 0 370.474 4.523 50 0 FJAARM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002857955 570768603 /nfs/dbraw/zinc/76/86/03/570768603.db2.gz TZCLHZKBWNRNRD-UHFFFAOYSA-N -1 0 374.325 4.743 50 0 FJAARM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000002851813 570768929 /nfs/dbraw/zinc/76/89/29/570768929.db2.gz HTFNOYJHDBAOIH-UHFFFAOYSA-N -1 0 374.325 4.654 50 0 FJAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1CCc1c[nH]c2ccccc12 ZINC000101271831 570818186 /nfs/dbraw/zinc/81/81/86/570818186.db2.gz OIWOPHYDXOOPNW-UHFFFAOYSA-N -1 0 361.426 4.529 50 0 FJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1cccs1 ZINC000015084906 570833045 /nfs/dbraw/zinc/83/30/45/570833045.db2.gz MUIPPZKKULZOGC-LLVKDONJSA-N -1 0 355.440 4.649 50 0 FJAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccccc1C(F)(F)F ZINC000003326413 570865425 /nfs/dbraw/zinc/86/54/25/570865425.db2.gz ABNQAVAZJFAWDZ-UHFFFAOYSA-N -1 0 370.179 4.813 50 0 FJAARM CCCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nc(C)cs1)c2=O ZINC000019118538 570880304 /nfs/dbraw/zinc/88/03/04/570880304.db2.gz KQECDPYAGWFESC-UHFFFAOYSA-N -1 0 369.364 4.902 50 0 FJAARM Cc1ccc(C(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000046053357 570921947 /nfs/dbraw/zinc/92/19/47/570921947.db2.gz AEHAPXDXQKESAL-UHFFFAOYSA-N -1 0 374.440 4.582 50 0 FJAARM CCCCN(C)c1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000046053305 570922065 /nfs/dbraw/zinc/92/20/65/570922065.db2.gz QROAWZFIKHVHQA-UHFFFAOYSA-N -1 0 360.841 4.527 50 0 FJAARM CCCCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000046053481 570922142 /nfs/dbraw/zinc/92/21/42/570922142.db2.gz QRTIUEJJVYPAOQ-UHFFFAOYSA-N -1 0 354.450 4.572 50 0 FJAARM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)[O-])[C@]4(C)CC[C@H]32)C1 ZINC000017003420 570940129 /nfs/dbraw/zinc/94/01/29/570940129.db2.gz WVHKCBDRQIXZLC-LCYVZWTKSA-N -1 0 360.494 4.582 50 0 FJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nn1-c1ccc(F)cc1F ZINC000025781600 571000543 /nfs/dbraw/zinc/00/05/43/571000543.db2.gz MSSHYVVNFFFVOA-UHFFFAOYSA-N -1 0 369.154 4.823 50 0 FJAARM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccnc2)c2ccccc12 ZINC000028251884 571028735 /nfs/dbraw/zinc/02/87/35/571028735.db2.gz FNDBBSMBQLJZOW-UHFFFAOYSA-N -1 0 370.474 4.605 50 0 FJAARM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccn2)c2ccccc12 ZINC000028251877 571028778 /nfs/dbraw/zinc/02/87/78/571028778.db2.gz DLUAIJQSFNKCIO-UHFFFAOYSA-N -1 0 370.474 4.605 50 0 FJAARM CC(=O)Nc1cccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000001277692 571045960 /nfs/dbraw/zinc/04/59/60/571045960.db2.gz NLRVWNHAPPVTTC-UHFFFAOYSA-N -1 0 371.396 4.753 50 0 FJAARM COc1ccccc1Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)[O-])s1 ZINC000005023177 571072879 /nfs/dbraw/zinc/07/28/79/571072879.db2.gz DYKPYWVCIMAHOU-UHFFFAOYSA-N -1 0 374.849 4.843 50 0 FJAARM O=C([O-])[C@H](Cc1cc(Cl)ccc1Cl)Sc1nc2ccccc2[nH]1 ZINC000001453215 571113880 /nfs/dbraw/zinc/11/38/80/571113880.db2.gz YXJXXETUUCRPFP-AWEZNQCLSA-N -1 0 367.257 4.658 50 0 FJAARM CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)[O-])[C@@]4(C)CC[C@H]32)C1 ZINC000244874142 571118285 /nfs/dbraw/zinc/11/82/85/571118285.db2.gz WVHKCBDRQIXZLC-CCMMITDPSA-N -1 0 360.494 4.582 50 0 FJAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)[O-])CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253615023 571139555 /nfs/dbraw/zinc/13/95/55/571139555.db2.gz SCNWNOJSZNDWCA-RGKYROCZSA-N -1 0 362.510 4.662 50 0 FJAARM Cc1noc(C)c1Cn1cnc(-c2ccccc2)c1-c1ccccc1C(=O)[O-] ZINC000065408852 571143092 /nfs/dbraw/zinc/14/30/92/571143092.db2.gz KEJQOFUOAKITSW-UHFFFAOYSA-N -1 0 373.412 4.568 50 0 FJAARM O=S(=O)([N-]c1cccc(-c2cc3ccccc3[nH]2)c1)c1ccccc1F ZINC000033106123 571155520 /nfs/dbraw/zinc/15/55/20/571155520.db2.gz SSXYQSZNNRDOCT-UHFFFAOYSA-N -1 0 366.417 4.775 50 0 FJAARM CCn1c(CSc2nc3ccccc3s2)nc2cc(C(=O)[O-])ccc21 ZINC000003262794 571177914 /nfs/dbraw/zinc/17/79/14/571177914.db2.gz PWQUCFOFXXDALE-UHFFFAOYSA-N -1 0 369.471 4.656 50 0 FJAARM O=C([O-])c1ccc([C@H]2CCN(c3ccc4cccc(Cl)c4n3)C2)cc1 ZINC000077538545 571215145 /nfs/dbraw/zinc/21/51/45/571215145.db2.gz DADZFPYCRMUXNQ-INIZCTEOSA-N -1 0 352.821 4.580 50 0 FJAARM Cc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795237 571243011 /nfs/dbraw/zinc/24/30/11/571243011.db2.gz XAFQSEXILSHAHF-OAHLLOKOSA-N -1 0 363.438 4.896 50 0 FJAARM COc1ccc(-c2nc(Nc3ccccc3)sc2CCC(=O)[O-])cc1 ZINC000006804284 571247363 /nfs/dbraw/zinc/24/73/63/571247363.db2.gz IEFOPUGSFSFSAY-UHFFFAOYSA-N -1 0 354.431 4.580 50 0 FJAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1cccc2cccnc21 ZINC000000790028 571275345 /nfs/dbraw/zinc/27/53/45/571275345.db2.gz FPDKZCQCFRQQMW-UHFFFAOYSA-N -1 0 368.392 4.852 50 0 FJAARM CC(C)C[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002271926 571294332 /nfs/dbraw/zinc/29/43/32/571294332.db2.gz PVRGUGDRQFLDMQ-ZFWWWQNUSA-N -1 0 360.479 4.522 50 0 FJAARM O=C(c1cnc2onc(-c3ccc(Cl)cc3)c2c1)c1cc(F)ccc1[O-] ZINC000002654123 571340116 /nfs/dbraw/zinc/34/01/16/571340116.db2.gz KLFLQKYSDQDPPJ-UHFFFAOYSA-N -1 0 368.751 4.619 50 0 FJAARM O=C([O-])c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000226340132 571340786 /nfs/dbraw/zinc/34/07/86/571340786.db2.gz WXYITJFJPRKLQT-UHFFFAOYSA-N -1 0 359.578 4.519 50 0 FJAARM Cc1ccc2[n-]cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c(=O)c2c1 ZINC000057354776 571342677 /nfs/dbraw/zinc/34/26/77/571342677.db2.gz VETPWVAKURWJAC-UHFFFAOYSA-N -1 0 371.318 4.572 50 0 FJAARM COc1ccc2nc([N-]c3nc4c(s3)C(=O)CC(C)(C)C4)sc2c1 ZINC000004137724 571356016 /nfs/dbraw/zinc/35/60/16/571356016.db2.gz SAGAGYKWVAMXNN-UHFFFAOYSA-N -1 0 359.476 4.660 50 0 FJAARM CCOc1ccc2nc([N-]c3nc4cc5c(cc4s3)OCO5)sc2c1 ZINC000004137809 571356031 /nfs/dbraw/zinc/35/60/31/571356031.db2.gz LHKSQSWYPXPIMF-UHFFFAOYSA-N -1 0 371.443 4.777 50 0 FJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000008132581 571359373 /nfs/dbraw/zinc/35/93/73/571359373.db2.gz YIYGPRDTARDTNP-UHFFFAOYSA-N -1 0 374.289 4.674 50 0 FJAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000634185 219307642 /nfs/dbraw/zinc/30/76/42/219307642.db2.gz QTCJTRZGGRBCEN-UHFFFAOYSA-N -1 0 350.654 4.756 50 0 FJAARM Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)c1 ZINC000000990705 219350296 /nfs/dbraw/zinc/35/02/96/219350296.db2.gz IDNICEBBFZPKSO-MOPGFXCFSA-N -1 0 353.418 4.617 50 0 FJAARM O=S(=O)([N-]c1cccc(F)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000001027560 219355143 /nfs/dbraw/zinc/35/51/43/219355143.db2.gz SARVOJRCAZDDMY-UHFFFAOYSA-N -1 0 354.617 4.587 50 0 FJAARM Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(C)c1C(=O)[O-] ZINC000001043850 219357208 /nfs/dbraw/zinc/35/72/08/219357208.db2.gz NWNAFCPICLYAPT-UHFFFAOYSA-N -1 0 353.127 4.513 50 0 FJAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc(Br)ccc2n1 ZINC000001114137 219372683 /nfs/dbraw/zinc/37/26/83/219372683.db2.gz WSFAJONSOYOWLN-UHFFFAOYSA-N -1 0 357.207 4.748 50 0 FJAARM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Cl)Sc1nc2ccccc2[nH]1 ZINC000001453216 219406760 /nfs/dbraw/zinc/40/67/60/219406760.db2.gz YXJXXETUUCRPFP-CQSZACIVSA-N -1 0 367.257 4.658 50 0 FJAARM Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)[O-])c1C ZINC000004865570 219617141 /nfs/dbraw/zinc/61/71/41/219617141.db2.gz LHNRQKHYFWGBQD-UHFFFAOYSA-N -1 0 365.454 4.834 50 0 FJAARM O=C(/C=C\c1cccs1)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000096931116 209162615 /nfs/dbraw/zinc/16/26/15/209162615.db2.gz XEXFALKGYJKLKP-HJWRWDBZSA-N -1 0 355.440 4.827 50 0 FJAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F ZINC000016130131 220178047 /nfs/dbraw/zinc/17/80/47/220178047.db2.gz MMEDQEFNHFCPIK-UHFFFAOYSA-N -1 0 369.286 4.525 50 0 FJAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(CCCc4ccccc4)c(=O)c23)C1 ZINC000017076002 220205629 /nfs/dbraw/zinc/20/56/29/220205629.db2.gz YNHHHCMWVYMTEN-CYBMUJFWSA-N -1 0 370.543 4.878 50 0 FJAARM CCCCCOC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000245238539 206786535 /nfs/dbraw/zinc/78/65/35/206786535.db2.gz SZUIVDDTEKRZIU-FXELSEDVSA-N -1 0 366.457 4.618 50 0 FJAARM CC(C)Oc1ccc(COc2ccc(CC(=O)[O-])cc2Cl)cc1Cl ZINC000000623223 206816556 /nfs/dbraw/zinc/81/65/56/206816556.db2.gz QYKCULKXKOEAQF-UHFFFAOYSA-N -1 0 369.244 4.987 50 0 FJAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000004513201 207024407 /nfs/dbraw/zinc/02/44/07/207024407.db2.gz OUIAHDULFZGQCU-UHFFFAOYSA-N -1 0 354.189 4.589 50 0 FJAARM CC(C)c1ccc(-c2oc3c(Cl)cc(CC(=O)[O-])cc3c(=O)c2O)cc1 ZINC000004528980 207024842 /nfs/dbraw/zinc/02/48/42/207024842.db2.gz LXXXMEHTZLWKMI-UHFFFAOYSA-N -1 0 372.804 4.570 50 0 FJAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)Sc1ccc(Cl)cc1 ZINC000005633784 207109967 /nfs/dbraw/zinc/10/99/67/207109967.db2.gz NUIKPFYSXNMSBI-OAHLLOKOSA-N -1 0 355.242 4.812 50 0 FJAARM COc1cccc(-c2nc3ccccc3c(Oc3ccccc3F)n2)c1[O-] ZINC000005574018 207106263 /nfs/dbraw/zinc/10/62/63/207106263.db2.gz FMGGCOCWGYQPFJ-UHFFFAOYSA-N -1 0 362.360 4.942 50 0 FJAARM O=C([O-])c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000007604036 207199446 /nfs/dbraw/zinc/19/94/46/207199446.db2.gz MLCZQARUSVFRGT-UHFFFAOYSA-N -1 0 357.203 4.880 50 0 FJAARM CC(C)(C)c1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1 ZINC000012336764 207363475 /nfs/dbraw/zinc/36/34/75/207363475.db2.gz CRPGJWHGKJNBKZ-PZJWPPBQSA-N -1 0 365.473 4.549 50 0 FJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492369 220329281 /nfs/dbraw/zinc/32/92/81/220329281.db2.gz MEFKTCKICYTLQI-UHFFFAOYSA-N -1 0 357.413 4.861 50 0 FJAARM CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000071282776 221338092 /nfs/dbraw/zinc/33/80/92/221338092.db2.gz GYGJBCHDHUGJHB-AWEZNQCLSA-N -1 0 365.389 4.546 50 0 FJAARM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccccc1 ZINC000001174301 132380640 /nfs/dbraw/zinc/38/06/40/132380640.db2.gz JHOLPHMMXGBXHS-WQLSENKSSA-N -1 0 361.184 4.500 50 0 FJAARM Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2C(=O)CCCC(=O)[O-] ZINC000004313939 132386800 /nfs/dbraw/zinc/38/68/00/132386800.db2.gz IDXLBSTUJMLQJZ-SJLPKXTDSA-N -1 0 351.446 4.507 50 0 FJAARM C[C@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])C1 ZINC000046053434 136121995 /nfs/dbraw/zinc/12/19/95/136121995.db2.gz NCPDCYMMTAQYJG-ZDUSSCGKSA-N -1 0 372.852 4.527 50 0 FJAARM CC1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1 ZINC000064820261 136133869 /nfs/dbraw/zinc/13/38/69/136133869.db2.gz OEYAZWUIWKBEKX-UHFFFAOYSA-N -1 0 372.852 4.527 50 0 FJAARM Cc1nn(C)c(Cl)c1/C=C1/CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000096935684 222144054 /nfs/dbraw/zinc/14/40/54/222144054.db2.gz GHYCNLZIYAUNAM-BENRWUELSA-N -1 0 367.836 4.505 50 0 FJAARM COc1ccc(-c2cc(=O)n3[n-]c(C)c(-c4ccc(Cl)cc4)c3n2)cc1 ZINC000102677417 222303560 /nfs/dbraw/zinc/30/35/60/222303560.db2.gz IUPXWQGFUURTLJ-UHFFFAOYSA-N -1 0 365.820 4.739 50 0 FJAARM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)Nc1cccc(Cl)c1 ZINC000102940388 222315066 /nfs/dbraw/zinc/31/50/66/222315066.db2.gz BUFPZLCUUGTEEP-UHFFFAOYSA-N -1 0 364.228 4.554 50 0 FJAARM COc1cccc(-c2nc3ccccc3c(NCCc3ccccc3)n2)c1[O-] ZINC000002220483 263144838 /nfs/dbraw/zinc/14/48/38/263144838.db2.gz OYLUERHBMQTRIK-UHFFFAOYSA-N -1 0 371.440 4.666 50 0 FJAARM CC1(C)[C@H](C=C(Cl)Cl)[C@@]1(Cc1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000044830500 263404578 /nfs/dbraw/zinc/40/45/78/263404578.db2.gz QTSMZMCWJHXXGO-VFZGTOFNSA-N -1 0 371.157 4.832 50 0 FJAARM COc1cccc(/C=C(/SCC(=O)[O-])c2nc3ccccc3s2)c1 ZINC000082070390 525761160 /nfs/dbraw/zinc/76/11/60/525761160.db2.gz NVICMEJMTOBGBP-MHWRWJLKSA-N -1 0 357.456 4.621 50 0 FJAARM O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)Nc4ccccc43)o2)ccc1Cl ZINC000012363025 568392621 /nfs/dbraw/zinc/39/26/21/568392621.db2.gz ZSHSTFSHLCTNSO-GXDHUFHOSA-N -1 0 365.772 4.791 50 0 FJAARM CCOc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000000648123 570443762 /nfs/dbraw/zinc/44/37/62/570443762.db2.gz VNGWIIJCZIVDNZ-UHFFFAOYSA-N -1 0 372.218 4.761 50 0 FJAARM CCOC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(O)cc21 ZINC000000704414 570451291 /nfs/dbraw/zinc/45/12/91/570451291.db2.gz VFFQTJWPHJPMPI-UHFFFAOYSA-N -1 0 374.234 4.584 50 0 FJAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)cs1 ZINC000001023465 570471734 /nfs/dbraw/zinc/47/17/34/570471734.db2.gz NKMAURKPBMOWRO-UHFFFAOYSA-N -1 0 364.517 4.598 50 0 FJAARM O=C([O-])c1cc(Cl)ccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001216249 570493942 /nfs/dbraw/zinc/49/39/42/570493942.db2.gz YXJPQLFPJJNNPL-UHFFFAOYSA-N -1 0 365.816 4.809 50 0 FJAARM Cc1ccc(C(=O)[O-])cc1NC(=S)Nc1ccc(Cl)cc1Cl ZINC000002858338 570538767 /nfs/dbraw/zinc/53/87/67/570538767.db2.gz HXPZIFSWLLXYFM-UHFFFAOYSA-N -1 0 355.246 4.809 50 0 FJAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)s1)oc1ccccc12 ZINC000024070226 570549230 /nfs/dbraw/zinc/54/92/30/570549230.db2.gz VHRLBORGKPMCQW-UHFFFAOYSA-N -1 0 373.455 4.765 50 0 FJAARM [O-]c1c(Cl)cc(Cl)c(O)c1Cc1c(O)c(Cl)cc(Cl)c1O ZINC000003843497 570567865 /nfs/dbraw/zinc/56/78/65/570567865.db2.gz KIGFURIIQCGBCG-UHFFFAOYSA-N -1 0 370.015 4.713 50 0 FJAARM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(Cl)cc2)C1 ZINC000003885060 570570405 /nfs/dbraw/zinc/57/04/05/570570405.db2.gz IASRGCJDRXUYIV-GXDHUFHOSA-N -1 0 364.832 4.572 50 0 FJAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccccc1Cl ZINC000005636943 570632284 /nfs/dbraw/zinc/63/22/84/570632284.db2.gz BFBFOFMWNXVUDJ-UHFFFAOYSA-N -1 0 356.683 4.963 50 0 FJAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000005601763 570680180 /nfs/dbraw/zinc/68/01/80/570680180.db2.gz QKSJPOPQAUFSEZ-HZPDHXFCSA-N -1 0 372.490 4.565 50 0 FJAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000001175033 570764226 /nfs/dbraw/zinc/76/42/26/570764226.db2.gz BRFRXMCDMYJRNK-UHFFFAOYSA-N -1 0 370.257 4.564 50 0 FJAARM CC[C@@H]1CCCCN1c1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000013127424 570774287 /nfs/dbraw/zinc/77/42/87/570774287.db2.gz QKIPZWIPWXDLCI-OAHLLOKOSA-N -1 0 363.461 4.780 50 0 aggregator FJAARM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000013224950 570775513 /nfs/dbraw/zinc/77/55/13/570775513.db2.gz WZZUQVVYGQRLFQ-HXUWFJFHSA-N -1 0 351.446 4.680 50 0 FJAARM CCCSc1nnc([N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 ZINC000027582485 571014383 /nfs/dbraw/zinc/01/43/83/571014383.db2.gz ZXOFWSZLPJNQBG-UHFFFAOYSA-N -1 0 374.491 4.564 50 0 FJAARM Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)onc1C1CCCCC1 ZINC000225394514 571032936 /nfs/dbraw/zinc/03/29/36/571032936.db2.gz ZFVQYCNXKDEQTA-UHFFFAOYSA-N -1 0 360.888 4.546 50 0 FJAARM CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000954343 571140670 /nfs/dbraw/zinc/14/06/70/571140670.db2.gz RFBWAMGHDXLZQQ-UHFFFAOYSA-N -1 0 370.792 4.507 50 0 FJAARM O=c1cc(C(F)(F)F)nc(SCc2c(Cl)cccc2Cl)[n-]1 ZINC000075283086 571159624 /nfs/dbraw/zinc/15/96/24/571159624.db2.gz OHZDEWMUOIOUGY-UHFFFAOYSA-N -1 0 355.168 4.800 50 0 FJAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000012507890 571173460 /nfs/dbraw/zinc/17/34/60/571173460.db2.gz SWUUOYCLPUNYAM-UHFFFAOYSA-N -1 0 350.292 4.979 50 0 FJAARM CCCCCCNc1nc(-c2ccc(OC)cc2)c(CCC(=O)[O-])s1 ZINC000003218143 571176859 /nfs/dbraw/zinc/17/68/59/571176859.db2.gz HUYMXMIEXDABLX-UHFFFAOYSA-N -1 0 362.495 4.828 50 0 FJAARM CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1cccc(Cl)c1 ZINC000006356674 571182357 /nfs/dbraw/zinc/18/23/57/571182357.db2.gz JNURLGKZJIVVHS-UHFFFAOYSA-N -1 0 373.865 4.609 50 0 FJAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000002503226 571203999 /nfs/dbraw/zinc/20/39/99/571203999.db2.gz HQIXGKBYGCWFIF-UHFFFAOYSA-N -1 0 363.797 4.953 50 0 FJAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000006639533 571238415 /nfs/dbraw/zinc/23/84/15/571238415.db2.gz RNVONIZPJVDUIR-UHFFFAOYSA-N -1 0 367.751 4.607 50 0 FJAARM CCc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(OC)cc3)n2)cc1 ZINC000006749017 571244847 /nfs/dbraw/zinc/24/48/47/571244847.db2.gz RGRIQYCKSPUVGQ-UHFFFAOYSA-N -1 0 373.412 4.561 50 0 FJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004521 571250278 /nfs/dbraw/zinc/25/02/78/571250278.db2.gz CFOWUZQGQDIIIC-UHFFFAOYSA-N -1 0 374.487 4.780 50 0 FJAARM CCc1csc(-c2csc(S(=O)(=O)[N-]c3cccc(C)c3)c2)n1 ZINC000065116808 571254382 /nfs/dbraw/zinc/25/43/82/571254382.db2.gz XJUKIIGGRQIXJR-UHFFFAOYSA-N -1 0 364.517 4.543 50 0 FJAARM CCOc1ccc(Nc2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)cc1 ZINC000002648287 571292728 /nfs/dbraw/zinc/29/27/28/571292728.db2.gz DMCPHFPVFHKLNQ-UHFFFAOYSA-N -1 0 372.421 4.719 50 0 FJAARM CCOP(=O)(OCC)[C@@H](Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000002316925 571317622 /nfs/dbraw/zinc/31/76/22/571317622.db2.gz WWDPGTPOIIDRCO-QGZVFWFLSA-N -1 0 363.350 4.762 50 0 FJAARM O=C([O-])c1cc(/C=C\c2cnc(-c3ccccc3)nc2)nc2ccccc21 ZINC000096401785 571335841 /nfs/dbraw/zinc/33/58/41/571335841.db2.gz KETFHIMGPUNMAW-KHPPLWFESA-N -1 0 353.381 4.560 50 0 FJAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC000002644629 571339954 /nfs/dbraw/zinc/33/99/54/571339954.db2.gz VLJAPHOLSLZJCF-UHFFFAOYSA-N -1 0 370.179 4.813 50 0 FJAARM O=C(c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1)c1ccccc1[O-] ZINC000003251417 571346117 /nfs/dbraw/zinc/34/61/17/571346117.db2.gz YLLBPBQLWCWZOV-UHFFFAOYSA-N -1 0 367.619 4.769 50 0 FJAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1 ZINC000003259436 571346245 /nfs/dbraw/zinc/34/62/45/571346245.db2.gz HTYMPSQBLBCVNZ-UHFFFAOYSA-N -1 0 361.369 4.558 50 0 FJAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000003338255 571347709 /nfs/dbraw/zinc/34/77/09/571347709.db2.gz XLKIKTSEIKVWJH-UHFFFAOYSA-N -1 0 371.861 4.586 50 0 FJAARM Cc1nn(-c2cccc(C)c2)c2nc(-c3ccc(C)cc3)cc(C(=O)[O-])c12 ZINC000003369609 571348550 /nfs/dbraw/zinc/34/85/50/571348550.db2.gz CXMKEEUUOJIDKU-UHFFFAOYSA-N -1 0 357.413 4.711 50 0 FJAARM COc1cccc2sc([N-]c3nnc(-c4ccccc4Cl)o3)nc21 ZINC000004137644 571355951 /nfs/dbraw/zinc/35/59/51/571355951.db2.gz SQWSXISXTZNXPK-UHFFFAOYSA-N -1 0 358.810 4.752 50 0 FJAARM CCOc1cccc2sc([N-]c3nc4cc5c(cc4s3)OCO5)nc21 ZINC000004137816 571355998 /nfs/dbraw/zinc/35/59/98/571355998.db2.gz BUBYUBWYKQAMGE-UHFFFAOYSA-N -1 0 371.443 4.777 50 0 FJAARM