smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1cc(Br)c(Sc2nnc(COc3ccc(Cl)cc3)[n-]2)o1 ZINC000408556029 557452258 /nfs/dbraw/zinc/45/22/58/557452258.db2.gz YTWRSIRJUDXHOF-UHFFFAOYSA-N -1 3 414.668 4.356 40 0 HIABHM O=Cc1cc(Br)c(Sc2nc(COc3ccc(Cl)cc3)n[n-]2)o1 ZINC000408556029 557452261 /nfs/dbraw/zinc/45/22/61/557452261.db2.gz YTWRSIRJUDXHOF-UHFFFAOYSA-N -1 3 414.668 4.356 40 0 HIABHM O=Cc1cc(Br)c(Sc2n[n-]c(COc3ccc(Cl)cc3)n2)o1 ZINC000408556029 557452264 /nfs/dbraw/zinc/45/22/64/557452264.db2.gz YTWRSIRJUDXHOF-UHFFFAOYSA-N -1 3 414.668 4.356 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)ccc1OC ZINC000408586252 557489964 /nfs/dbraw/zinc/48/99/64/557489964.db2.gz MTTLEOULWYHTEY-UHFFFAOYSA-N -1 3 419.286 4.371 40 0 HIABHM CN(Cc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000006429867 557702298 /nfs/dbraw/zinc/70/22/98/557702298.db2.gz YBMMDAZNIKKXNX-UHFFFAOYSA-N -1 3 416.449 4.038 40 0 HIABHM Cc1ccccc1OCC(=O)[N-]C(=S)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000006861187 557727220 /nfs/dbraw/zinc/72/72/20/557727220.db2.gz XACPGMNQRCOWOK-UHFFFAOYSA-N -1 3 405.932 4.459 40 0 HIABHM O=C(NCCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020043078 558326530 /nfs/dbraw/zinc/32/65/30/558326530.db2.gz OSPWNEUEQMWIKC-UHFFFAOYSA-N -1 3 414.914 4.113 40 0 HIABHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)c2ccccc2O1 ZINC000013669238 558560826 /nfs/dbraw/zinc/56/08/26/558560826.db2.gz AJQMQZKGVSMHBU-NSHDSACASA-N -1 3 402.335 4.091 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000016293330 558784436 /nfs/dbraw/zinc/78/44/36/558784436.db2.gz RIHHRZIKVJPIJP-SFHVURJKSA-N -1 3 424.522 4.052 40 0 HIABHM O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019014826 558836983 /nfs/dbraw/zinc/83/69/83/558836983.db2.gz RKILYBBUVGMIPN-AVRDEDQJSA-N -1 3 424.589 4.140 40 0 HIABHM O=C([O-])c1ccc(-c2c[nH]nc2[C@H]2CCCN(CCOCc3ccccc3)C2)cc1 ZINC000072360801 558955539 /nfs/dbraw/zinc/95/55/39/558955539.db2.gz AJLQQRRXEITPPZ-NRFANRHFSA-N -1 3 405.498 4.171 40 0 HIABHM COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1[N-]C(=O)c1ccco1 ZINC000000871399 559293427 /nfs/dbraw/zinc/29/34/27/559293427.db2.gz IJRJYDNIQGCNNT-UHFFFAOYSA-N -1 3 402.403 4.080 40 0 HIABHM CCOC(=O)[C@H](CC)Sc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000001223699 560572342 /nfs/dbraw/zinc/57/23/42/560572342.db2.gz REUYLLFPYPVXNK-IBGZPJMESA-N -1 3 411.527 4.327 40 0 HIABHM Cc1cc(C)c(OCC(=O)N2NC(CCC(C)C)=C[C@@]2([O-])C(F)(F)F)c(C)c1 ZINC000408954917 560657328 /nfs/dbraw/zinc/65/73/28/560657328.db2.gz NREFAEUGNGOHSY-LJQANCHMSA-N -1 3 400.441 4.266 40 0 HIABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)C)cc2)N1 ZINC000409104694 560675697 /nfs/dbraw/zinc/67/56/97/560675697.db2.gz DZRMUMYIJNEWGG-IBGZPJMESA-N -1 3 400.441 4.392 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)c(C)c2)cc1 ZINC000409382813 560717513 /nfs/dbraw/zinc/71/75/13/560717513.db2.gz RFOYCXHANRAYPF-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000007360853 560750424 /nfs/dbraw/zinc/75/04/24/560750424.db2.gz NQXMTEQKOZAJMX-UHFFFAOYSA-N -1 3 416.543 4.075 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(C)c1 ZINC000005024500 568431389 /nfs/dbraw/zinc/43/13/89/568431389.db2.gz LKAMQFQKVLEIFI-VABKMULXSA-N -1 3 414.461 4.060 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1C ZINC000005164018 568441883 /nfs/dbraw/zinc/44/18/83/568441883.db2.gz AOEICVJWOJBSDO-ZLNRFVROSA-N -1 3 416.452 4.494 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)c(C)c1 ZINC000101236161 568504904 /nfs/dbraw/zinc/50/49/04/568504904.db2.gz BEHNWZBSIRATNN-ZLNRFVROSA-N -1 3 416.452 4.494 40 0 HIABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000222967300 568532575 /nfs/dbraw/zinc/53/25/75/568532575.db2.gz DWVJDHUIUFAMQI-CYBMUJFWSA-N -1 3 406.935 4.081 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)cc1 ZINC000224522030 568583486 /nfs/dbraw/zinc/58/34/86/568583486.db2.gz IRPKPGWTXDGUPY-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1C(C)C ZINC000225487976 568642317 /nfs/dbraw/zinc/64/23/17/568642317.db2.gz YYQFEZLDWHGYSZ-UHFFFAOYSA-N -1 3 416.543 4.363 40 0 HIABHM COc1ccc(Cc2cnc([C@@H]3CCCN(Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 ZINC000257216392 568780820 /nfs/dbraw/zinc/78/08/20/568780820.db2.gz CUJVHHBTMBQEFE-HXUWFJFHSA-N -1 3 406.482 4.352 40 0 HIABHM CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@H]3C[C@H]21 ZINC000257232246 568785399 /nfs/dbraw/zinc/78/53/99/568785399.db2.gz GJYUOSWLZYVSMH-TUUKDFBESA-N -1 3 423.509 4.230 40 0 HIABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(C(=O)[C@H]4CCC(C)=C(C)C4)CC3)n2)n1 ZINC000257331399 568813461 /nfs/dbraw/zinc/81/34/61/568813461.db2.gz XSRSVKZTAYQGKG-FQEVSTJZSA-N -1 3 420.561 4.470 40 0 HIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 ZINC000006707015 569334508 /nfs/dbraw/zinc/33/45/08/569334508.db2.gz HPBDIUPUBQDZAI-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362150 569337437 /nfs/dbraw/zinc/33/74/37/569337437.db2.gz FZMHAJQANIOWTJ-UHFFFAOYSA-N -1 3 418.559 4.098 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c(C)c1 ZINC000028206546 569350052 /nfs/dbraw/zinc/35/00/52/569350052.db2.gz KAKUVXIHANAVOH-UHFFFAOYSA-N -1 3 406.507 4.307 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000035339484 569351724 /nfs/dbraw/zinc/35/17/24/569351724.db2.gz QZXIQZIGUYWIIF-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 ZINC000108975765 569353640 /nfs/dbraw/zinc/35/36/40/569353640.db2.gz OQEPUIFRNIPBTN-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccco2)cc1 ZINC000012017528 569399388 /nfs/dbraw/zinc/39/93/88/569399388.db2.gz JCPFPKCJPGQIBH-AABGKKOBSA-N -1 3 408.841 4.293 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408588525 557494336 /nfs/dbraw/zinc/49/43/36/557494336.db2.gz GNUAUNCDMBQNCZ-QGZVFWFLSA-N -1 3 416.543 4.012 40 0 HIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408591344 557507325 /nfs/dbraw/zinc/50/73/25/557507325.db2.gz LDXDPRYUVYROAF-KRWDZBQOSA-N -1 3 416.543 4.012 40 0 HIABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408596725 557516447 /nfs/dbraw/zinc/51/64/47/557516447.db2.gz XRMHYOUSFJSYES-UHFFFAOYSA-N -1 3 411.911 4.023 40 0 HIABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408674943 557675219 /nfs/dbraw/zinc/67/52/19/557675219.db2.gz FEVSSAKEVSTTIP-UHFFFAOYSA-N -1 3 424.950 4.134 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)cc2)c(Cl)c1Cl ZINC000020041288 558326062 /nfs/dbraw/zinc/32/60/62/558326062.db2.gz ZUSZERSZFVBRLM-UHFFFAOYSA-N -1 3 404.315 4.268 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1 ZINC000020491105 558378001 /nfs/dbraw/zinc/37/80/01/558378001.db2.gz AFMUYFRSRRPJAH-UHFFFAOYSA-N -1 3 406.935 4.321 40 0 HIABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022510920 558493002 /nfs/dbraw/zinc/49/30/02/558493002.db2.gz MFRSPLKKIOUMAS-UHFFFAOYSA-N -1 3 407.797 4.087 40 0 HIABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(C)c1 ZINC000013632444 558552713 /nfs/dbraw/zinc/55/27/13/558552713.db2.gz SZNPLZPNBIIRQH-UHFFFAOYSA-N -1 3 402.299 4.420 40 0 HIABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)c1 ZINC000100622779 558765033 /nfs/dbraw/zinc/76/50/33/558765033.db2.gz LTLGWXSSEIRPKA-HBMCJLEFSA-N -1 3 404.491 4.416 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100829243 558798118 /nfs/dbraw/zinc/79/81/18/558798118.db2.gz PQRXXEZTUSVBNK-ACRUOGEOSA-N -1 3 404.853 4.391 40 0 HIABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000101075525 558826533 /nfs/dbraw/zinc/82/65/33/558826533.db2.gz TXGUTMNUCUJRAZ-ACRUOGEOSA-N -1 3 419.868 4.095 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013646449 558850530 /nfs/dbraw/zinc/85/05/30/558850530.db2.gz GRRKMZLJNJMNDH-HKBOAZHASA-N -1 3 404.853 4.391 40 0 HIABHM COc1cccc(CN2CCC(C[C@@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c1 ZINC000019236934 558856292 /nfs/dbraw/zinc/85/62/92/558856292.db2.gz NGSAVAUQTMCWCJ-NRFANRHFSA-N -1 3 422.525 4.254 40 0 HIABHM Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000013748956 558863518 /nfs/dbraw/zinc/86/35/18/558863518.db2.gz BGMVTEUMGWDEOV-PUHATCMVSA-N -1 3 416.452 4.494 40 0 HIABHM O=C(c1cccc2ncccc21)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019293241 558864877 /nfs/dbraw/zinc/86/48/77/558864877.db2.gz MFFAEGIQJKPHGU-UHFFFAOYSA-N -1 3 416.506 4.066 40 0 HIABHM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019565818 558925753 /nfs/dbraw/zinc/92/57/53/558925753.db2.gz JRFCOLYLSZVPQJ-IBGZPJMESA-N -1 3 423.419 4.125 40 0 HIABHM O=c1cc(C2CCN(Cc3cccnc3)CC2)nc(N[C@@H]2CCc3ccccc32)[n-]1 ZINC000019717560 558980247 /nfs/dbraw/zinc/98/02/47/558980247.db2.gz AXADXYWFCPQJCW-OAQYLSRUSA-N -1 3 401.514 4.056 40 0 HIABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCc1ccc2ccccc2c1 ZINC000016545825 559078826 /nfs/dbraw/zinc/07/88/26/559078826.db2.gz FWDHMCUUDQLIEB-UHFFFAOYSA-N -1 3 424.305 4.168 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000095349890 559079698 /nfs/dbraw/zinc/07/96/98/559079698.db2.gz JKBFEHQBJALXIB-VSKRKVRLSA-N -1 3 402.425 4.185 40 0 HIABHM Cc1cnc([N-]c2ncc(F)c(CC3CCN(Cc4ccc(C)nc4)CC3)n2)s1 ZINC000585262845 559111476 /nfs/dbraw/zinc/11/14/76/559111476.db2.gz LTFNFKQTENSHID-UHFFFAOYSA-N -1 3 412.538 4.282 40 0 HIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)c1 ZINC000102910348 559153435 /nfs/dbraw/zinc/15/34/35/559153435.db2.gz OQMSVMBTGWOPNJ-ACRUOGEOSA-N -1 3 420.490 4.116 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1C ZINC000101146035 559186801 /nfs/dbraw/zinc/18/68/01/559186801.db2.gz AOEICVJWOJBSDO-ZRBLBEILSA-N -1 3 416.452 4.494 40 0 HIABHM Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896682 560543874 /nfs/dbraw/zinc/54/38/74/560543874.db2.gz LAXMYBWAYALBPQ-UHFFFAOYSA-N -1 3 416.506 4.022 40 0 HIABHM CCOC(=O)[C@@H](CC)Sc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000001223700 560572375 /nfs/dbraw/zinc/57/23/75/560572375.db2.gz REUYLLFPYPVXNK-LJQANCHMSA-N -1 3 411.527 4.327 40 0 HIABHM CN(C)c1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000409101811 560677288 /nfs/dbraw/zinc/67/72/88/560677288.db2.gz YWEGVLZJIJEHTI-YYFZDKIDSA-N -1 3 411.468 4.278 40 0 HIABHM O=c1c2c3c(c[n-]c-2nn1-c1nc2ccccc2s1)C(=O)C[C@@H](c1ccccc1)C3 ZINC000014163940 560839602 /nfs/dbraw/zinc/83/96/02/560839602.db2.gz TZGBSUCVTGCRQV-AWEZNQCLSA-N -1 3 412.474 4.236 40 0 HIABHM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)S1 ZINC000020495134 560885120 /nfs/dbraw/zinc/88/51/20/560885120.db2.gz ISGJICOQJUHCES-OVCLIPMQSA-N -1 3 408.248 4.491 40 0 HIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000004898324 568422543 /nfs/dbraw/zinc/42/25/43/568422543.db2.gz AXIORQHCBDQORL-FKBYEOEOSA-N -1 3 418.449 4.120 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004994740 568430878 /nfs/dbraw/zinc/43/08/78/568430878.db2.gz GRRKMZLJNJMNDH-HBMCJLEFSA-N -1 3 404.853 4.391 40 0 HIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)cc1 ZINC000005478683 568443779 /nfs/dbraw/zinc/44/37/79/568443779.db2.gz FSJBFYBIIHAIFO-ZRBLBEILSA-N -1 3 414.461 4.055 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000005520452 568446953 /nfs/dbraw/zinc/44/69/53/568446953.db2.gz RPNKTIDKSYHAFW-BDTNDASRSA-N -1 3 402.425 4.185 40 0 HIABHM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000020765655 568458898 /nfs/dbraw/zinc/45/88/98/568458898.db2.gz SFGXGHJDVGVBSF-UHFFFAOYSA-N -1 3 410.470 4.220 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCc1c(F)cccc1Cl ZINC000223945037 568563985 /nfs/dbraw/zinc/56/39/85/568563985.db2.gz LUGCWZHATJUHEX-UHFFFAOYSA-N -1 3 424.346 4.353 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000224592011 568586736 /nfs/dbraw/zinc/58/67/36/568586736.db2.gz YIRNABBUHXVXAJ-VXKWHMMOSA-N -1 3 413.506 4.150 40 0 HIABHM COc1ccc(Cc2cnc([C@H]3CCCN(Cc4ccc(C(=O)[O-])cc4)C3)o2)cc1 ZINC000257216391 568780782 /nfs/dbraw/zinc/78/07/82/568780782.db2.gz CUJVHHBTMBQEFE-FQEVSTJZSA-N -1 3 406.482 4.352 40 0 HIABHM CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCCN(Cc4ccc(C(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000257268962 568795444 /nfs/dbraw/zinc/79/54/44/568795444.db2.gz MNZFKDVYHZFANO-FQOCKNPQSA-N -1 3 423.509 4.372 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1C ZINC000006416110 569332077 /nfs/dbraw/zinc/33/20/77/569332077.db2.gz ASCVPIMVHWABFF-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000107542320 569352695 /nfs/dbraw/zinc/35/26/95/569352695.db2.gz CZHVOLMTTVGLOZ-SNVBAGLBSA-N -1 3 421.733 4.261 40 0 HIABHM O=C([O-])COc1ccc(CN2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc1 ZINC000257314008 569397802 /nfs/dbraw/zinc/39/78/02/569397802.db2.gz UVABAUDBKUZFKS-IBGZPJMESA-N -1 3 424.472 4.248 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1NC(=O)c1ccccc1 ZINC000408561424 557459920 /nfs/dbraw/zinc/45/99/20/557459920.db2.gz SHZLAWCGBSTNFO-UHFFFAOYSA-N -1 3 414.458 4.278 40 0 HIABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408584286 557484697 /nfs/dbraw/zinc/48/46/97/557484697.db2.gz NUWSSSKIOMBMMO-OAHLLOKOSA-N -1 3 424.950 4.133 40 0 HIABHM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408584903 557488164 /nfs/dbraw/zinc/48/81/64/557488164.db2.gz WKXRTZZZKBHHPW-UHFFFAOYSA-N -1 3 401.532 4.458 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2CC)ccc1OCC ZINC000408588059 557491662 /nfs/dbraw/zinc/49/16/62/557491662.db2.gz WTFMERSOXUTPFI-UHFFFAOYSA-N -1 3 406.504 4.325 40 0 HIABHM CCN(CC)CCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000005715242 557669967 /nfs/dbraw/zinc/66/99/67/557669967.db2.gz CDDVXXITQHWPJS-UHFFFAOYSA-N -1 3 403.089 4.497 40 0 HIABHM CCc1cccc(CC)c1NC(=O)CSc1nnc([N-]C(=O)c2ccco2)s1 ZINC000035312391 557688168 /nfs/dbraw/zinc/68/81/68/557688168.db2.gz WOWZQEBOGGYJRD-UHFFFAOYSA-N -1 3 416.528 4.239 40 0 HIABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006553230 557707424 /nfs/dbraw/zinc/70/74/24/557707424.db2.gz IEALMOLKXBEVQL-UHFFFAOYSA-N -1 3 410.495 4.067 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)cc1 ZINC000010009804 557853716 /nfs/dbraw/zinc/85/37/16/557853716.db2.gz NPCGSDCRJIXSFW-UHFFFAOYSA-N -1 3 424.522 4.294 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccnc3)cc2Cl)cc1 ZINC000020112689 558336462 /nfs/dbraw/zinc/33/64/62/558336462.db2.gz SAWUMLSBFIDIFM-UHFFFAOYSA-N -1 3 401.875 4.097 40 0 HIABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000013997940 558611926 /nfs/dbraw/zinc/61/19/26/558611926.db2.gz BRQMIHNWYVGNGJ-UHFFFAOYSA-N -1 3 424.522 4.294 40 0 HIABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000016291002 558783964 /nfs/dbraw/zinc/78/39/64/558783964.db2.gz PCWRDOVKDWRVOV-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)c1 ZINC000101006966 558824794 /nfs/dbraw/zinc/82/47/94/558824794.db2.gz PJHSNMLQMDNNBY-VABKMULXSA-N -1 3 414.461 4.055 40 0 HIABHM Cc1cc2cc(C(=O)N[C@@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)ccc2o1 ZINC000019126454 558844689 /nfs/dbraw/zinc/84/46/89/558844689.db2.gz VGWRWGOIJIGKBY-FQEVSTJZSA-N -1 3 405.429 4.398 40 0 HIABHM CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1OC ZINC000019533853 558913213 /nfs/dbraw/zinc/91/32/13/558913213.db2.gz WSEPJZISWFUDEK-HXUWFJFHSA-N -1 3 420.513 4.379 40 0 HIABHM O=C(NC[C@H]1CC[C@H](c2ccnc([N-]c3cnccn3)n2)CC1)c1ccc(Cl)cc1 ZINC000100707369 559138108 /nfs/dbraw/zinc/13/81/08/559138108.db2.gz MIGLVJFWEHXHIV-IYBDPMFKSA-N -1 3 422.920 4.367 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(F)c1 ZINC000102762233 559152622 /nfs/dbraw/zinc/15/26/22/559152622.db2.gz PFUFINGZQLOXFT-HKBOAZHASA-N -1 3 406.388 4.016 40 0 HIABHM COC(=O)c1ccccc1-c1ccc(/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409167453 560686352 /nfs/dbraw/zinc/68/63/52/560686352.db2.gz LLFNVWNSBPGDPU-LDADJPATSA-N -1 3 422.824 4.484 40 0 HIABHM O=C(COc1cc(Cl)ccc1Cl)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000409190253 560689148 /nfs/dbraw/zinc/68/91/48/560689148.db2.gz QRJJJPKQMDEVLS-MEBBXXQBSA-N -1 3 411.207 4.012 40 0 HIABHM O=C(CN1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O)Nc1ccccc1Cl ZINC000409228146 560698272 /nfs/dbraw/zinc/69/82/72/560698272.db2.gz UQFIDKVGSGAKKU-OVCLIPMQSA-N -1 3 423.277 4.374 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(=O)N1CCCCCC1 ZINC000007360827 560750412 /nfs/dbraw/zinc/75/04/12/560750412.db2.gz OHZXJQNMWZEAEB-UHFFFAOYSA-N -1 3 416.543 4.129 40 0 HIABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000409099558 568417627 /nfs/dbraw/zinc/41/76/27/568417627.db2.gz OIGWCWACBRDQLB-YYFZDKIDSA-N -1 3 412.452 4.149 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004898268 568422562 /nfs/dbraw/zinc/42/25/62/568422562.db2.gz PQRXXEZTUSVBNK-NJYVYQBISA-N -1 3 404.853 4.391 40 0 HIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000005016469 568431002 /nfs/dbraw/zinc/43/10/02/568431002.db2.gz YDFNFNCLYUEFQC-ZRBLBEILSA-N -1 3 416.452 4.439 40 0 HIABHM O=S(=O)([N-]Cc1nc(-c2cccc(Cl)c2)no1)c1cc(Cl)ccc1Cl ZINC000223586909 568552540 /nfs/dbraw/zinc/55/25/40/568552540.db2.gz DDBXCWHCYLLTIC-UHFFFAOYSA-N -1 3 418.689 4.175 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c(Cl)c1Cl ZINC000223852039 568560914 /nfs/dbraw/zinc/56/09/14/568560914.db2.gz NLRPHHBEWKYKKT-UHFFFAOYSA-N -1 3 410.706 4.013 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)c3ccccc3)ccc2C)cc1 ZINC000224061633 568568167 /nfs/dbraw/zinc/56/81/67/568568167.db2.gz PAMCHHAUTMXWDL-UHFFFAOYSA-N -1 3 410.495 4.081 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCc1ccc(Cl)cc1 ZINC000225436987 568637708 /nfs/dbraw/zinc/63/77/08/568637708.db2.gz IJOHDLTXYNYECO-UHFFFAOYSA-N -1 3 406.356 4.214 40 0 HIABHM CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2sc1=O ZINC000225687661 568664432 /nfs/dbraw/zinc/66/44/32/568664432.db2.gz QVIOMPVXJMACSP-UHFFFAOYSA-N -1 3 403.312 4.191 40 0 HIABHM CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@@H]3C[C@@H]21 ZINC000257232245 568785315 /nfs/dbraw/zinc/78/53/15/568785315.db2.gz GJYUOSWLZYVSMH-RBPBXQJFSA-N -1 3 423.509 4.230 40 0 HIABHM COc1ccccc1Cc1cnc([C@@H]2CCCN(Cc3cccc(C(=O)[O-])c3)C2)o1 ZINC000257252061 568790982 /nfs/dbraw/zinc/79/09/82/568790982.db2.gz JTKAWDGTGAZXHB-HXUWFJFHSA-N -1 3 406.482 4.352 40 0 HIABHM COc1cc([C@@H]2CSc3nc4sc5c(c4c(=O)n32)CCCC5)cc(Cl)c1[O-] ZINC000001089950 568930449 /nfs/dbraw/zinc/93/04/49/568930449.db2.gz QQPNMXAWRRCGJD-LBPRGKRZSA-N -1 3 420.943 4.400 40 0 HIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)c(Cl)c2)cc1 ZINC000006361911 569331739 /nfs/dbraw/zinc/33/17/39/569331739.db2.gz XXEWHJDYHQXUBO-UHFFFAOYSA-N -1 3 411.907 4.035 40 0 HIABHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCCCCC1 ZINC000026119986 569349963 /nfs/dbraw/zinc/34/99/63/569349963.db2.gz WWPPWPMWYOPNAF-UHFFFAOYSA-N -1 3 422.547 4.365 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000033595824 569350642 /nfs/dbraw/zinc/35/06/42/569350642.db2.gz CFAUVTAASDNYOR-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 ZINC000033658279 569350913 /nfs/dbraw/zinc/35/09/13/569350913.db2.gz CSZIKJJTKCZRIG-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1nc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3ccccc3)CC2)sc1C ZINC000585291329 571309896 /nfs/dbraw/zinc/30/98/96/571309896.db2.gz BBXFHXOLMLTGER-CMDGGOBGSA-N -1 3 419.554 4.713 40 0 HIABHM CC1(C)NC(=S)N(c2ccccc2C(=O)[O-])C2=C1CN(Cc1ccccc1)CC2 ZINC000005835797 534964192 /nfs/dbraw/zinc/96/41/92/534964192.db2.gz PQUVCQHEXMZEFP-UHFFFAOYSA-N -1 3 407.539 4.429 40 0 HIABHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000408550679 557431410 /nfs/dbraw/zinc/43/14/10/557431410.db2.gz GGCRBKIRBDYYOT-UHFFFAOYSA-N -1 3 410.495 4.311 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1NC(C)=O ZINC000408555201 557446475 /nfs/dbraw/zinc/44/64/75/557446475.db2.gz FHFXRQVBOWKBJO-UHFFFAOYSA-N -1 3 422.812 4.127 40 0 HIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408591345 557507354 /nfs/dbraw/zinc/50/73/54/557507354.db2.gz LDXDPRYUVYROAF-QGZVFWFLSA-N -1 3 416.543 4.012 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000408601569 557522121 /nfs/dbraw/zinc/52/21/21/557522121.db2.gz BLWOXPXZSPQYHA-CQSZACIVSA-N -1 3 424.950 4.086 40 0 HIABHM CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)ccc3[O-])S2)cc1 ZINC000006026831 557684665 /nfs/dbraw/zinc/68/46/65/557684665.db2.gz PGTNFXZBKFIDBQ-FJJYYWMZSA-N -1 3 405.317 4.317 40 0 HIABHM Cc1cc2sc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)nc2cc1Cl ZINC000006826390 557725817 /nfs/dbraw/zinc/72/58/17/557725817.db2.gz VRQJQGZAJHPMTO-UHFFFAOYSA-N -1 3 403.143 4.441 40 0 HIABHM Cc1cc2sc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)nc2cc1Cl ZINC000006826390 557725820 /nfs/dbraw/zinc/72/58/20/557725820.db2.gz VRQJQGZAJHPMTO-UHFFFAOYSA-N -1 3 403.143 4.441 40 0 HIABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCC ZINC000008253847 557778031 /nfs/dbraw/zinc/77/80/31/557778031.db2.gz UJDWAYOAOPRXBB-UHFFFAOYSA-N -1 3 408.292 4.235 40 0 HIABHM Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N-]S(C)(=O)=O ZINC000010327766 557860405 /nfs/dbraw/zinc/86/04/05/557860405.db2.gz VKCGNXLWIUUHSI-UHFFFAOYSA-N -1 3 406.813 4.291 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cccc(Br)c1 ZINC000020029989 558323903 /nfs/dbraw/zinc/32/39/03/558323903.db2.gz YTETYRSSVQPBPB-SNVBAGLBSA-N -1 3 404.713 4.151 40 0 HIABHM Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)ccc1Br ZINC000020456868 558370162 /nfs/dbraw/zinc/37/01/62/558370162.db2.gz OAUKCMYXTHONPY-UHFFFAOYSA-N -1 3 417.712 4.035 40 0 HIABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030855607 558741091 /nfs/dbraw/zinc/74/10/91/558741091.db2.gz HVDZVUULDUYLKX-UHFFFAOYSA-N -1 3 416.886 4.402 40 0 HIABHM COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1[O-] ZINC000033318265 558766266 /nfs/dbraw/zinc/76/62/66/558766266.db2.gz WQGUKKDIVHAPQN-ZROIWOOFSA-N -1 3 406.257 4.404 40 0 HIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000100829942 558798059 /nfs/dbraw/zinc/79/80/59/558798059.db2.gz AXIORQHCBDQORL-VSKRKVRLSA-N -1 3 418.449 4.120 40 0 HIABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c1 ZINC000101064171 558826096 /nfs/dbraw/zinc/82/60/96/558826096.db2.gz FCFTXJGUUHNPLC-FSSWDIPSSA-N -1 3 402.425 4.185 40 0 HIABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000013513374 558835631 /nfs/dbraw/zinc/83/56/31/558835631.db2.gz FVYSIYMSOZLWHG-FKBYEOEOSA-N -1 3 402.425 4.185 40 0 HIABHM O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019014867 558837007 /nfs/dbraw/zinc/83/70/07/558837007.db2.gz DFFPNBZEADOWEH-OAQYLSRUSA-N -1 3 412.578 4.117 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013618593 558848363 /nfs/dbraw/zinc/84/83/63/558848363.db2.gz GLUBGJJHSQFDME-HKBOAZHASA-N -1 3 404.853 4.391 40 0 HIABHM O=C([O-])C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCN(Cc2ccc(F)cc2)CC1 ZINC000019333778 558869202 /nfs/dbraw/zinc/86/92/02/558869202.db2.gz SRAWBLBSAUICGU-HXUWFJFHSA-N -1 3 414.452 4.215 40 0 HIABHM Cc1c2cccc(F)c2oc1C(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019565815 558925749 /nfs/dbraw/zinc/92/57/49/558925749.db2.gz JRFCOLYLSZVPQJ-LJQANCHMSA-N -1 3 423.419 4.125 40 0 HIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000100570590 559136704 /nfs/dbraw/zinc/13/67/04/559136704.db2.gz ZPZGLGQNLNPWBX-ACRUOGEOSA-N -1 3 420.490 4.198 40 0 HIABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32C)cc1 ZINC000102693190 559151963 /nfs/dbraw/zinc/15/19/63/559151963.db2.gz GBDLERWZMUYQPR-SLSDLSHTSA-N -1 3 414.461 4.136 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000102727238 559152241 /nfs/dbraw/zinc/15/22/41/559152241.db2.gz YVHMGXOOHASBAF-ACRUOGEOSA-N -1 3 420.852 4.097 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1Br ZINC000248264453 559275256 /nfs/dbraw/zinc/27/52/56/559275256.db2.gz YHIDYMVAPUHDSS-UHFFFAOYSA-N -1 3 400.294 4.046 40 0 HIABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccccc1)N2 ZINC000409361434 560714812 /nfs/dbraw/zinc/71/48/12/560714812.db2.gz SJSVUNSEJYQYMA-PTSWNOGYSA-N -1 3 412.452 4.367 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1C ZINC000006270282 560740801 /nfs/dbraw/zinc/74/08/01/560740801.db2.gz NFIUEBMGMYIQTD-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000223374002 568546785 /nfs/dbraw/zinc/54/67/85/568546785.db2.gz YRBFTOLEMMLXDL-UHFFFAOYSA-N -1 3 406.507 4.307 40 0 HIABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C(C)C ZINC000223420053 568548363 /nfs/dbraw/zinc/54/83/63/568548363.db2.gz VUIDDGMMNJKXOM-UHFFFAOYSA-N -1 3 402.516 4.055 40 0 HIABHM CCCc1ccc(OCC[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000223853545 568560930 /nfs/dbraw/zinc/56/09/30/568560930.db2.gz LWKRBZZMEXQYNU-UHFFFAOYSA-N -1 3 418.342 4.312 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C)ccc2C)cc1 ZINC000224056632 568568075 /nfs/dbraw/zinc/56/80/75/568568075.db2.gz KUBULTAVLJDZTG-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]CCOc2ccc(C)c(Cl)c2)c(Cl)c1Cl ZINC000224136905 568571152 /nfs/dbraw/zinc/57/11/52/568571152.db2.gz KIDCOPCSGRBQIB-UHFFFAOYSA-N -1 3 424.733 4.321 40 0 HIABHM CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000224552328 568584668 /nfs/dbraw/zinc/58/46/68/568584668.db2.gz PXXBSSBNYXQKGR-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224600624 568587386 /nfs/dbraw/zinc/58/73/86/568587386.db2.gz CJIPCPAYIVABBE-FCHUYYIVSA-N -1 3 422.554 4.029 40 0 HIABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 ZINC000225180876 568620986 /nfs/dbraw/zinc/62/09/86/568620986.db2.gz XSOCEAHALSLWJA-UHFFFAOYSA-N -1 3 406.529 4.070 40 0 HIABHM CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(Br)c1[O-] ZINC000059484470 568707883 /nfs/dbraw/zinc/70/78/83/568707883.db2.gz UNEOZGUXDJBGFA-DHDCSXOGSA-N -1 3 402.244 4.206 40 0 HIABHM COc1ccccc1Cc1cnc([C@H]2CCCN(Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000257260839 568793133 /nfs/dbraw/zinc/79/31/33/568793133.db2.gz LEQUYZDLAPXTSM-FQEVSTJZSA-N -1 3 406.482 4.352 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000006024007 569329296 /nfs/dbraw/zinc/32/92/96/569329296.db2.gz HAWTZHZCQHVZMV-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)c1 ZINC000006553314 569333351 /nfs/dbraw/zinc/33/33/51/569333351.db2.gz QTKCUTWLXMIALO-UHFFFAOYSA-N -1 3 416.543 4.014 40 0 HIABHM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000035079664 569351627 /nfs/dbraw/zinc/35/16/27/569351627.db2.gz QCPCKSRSGCMZON-SNVBAGLBSA-N -1 3 421.733 4.261 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H](C)C3)cc2Cl)cc1 ZINC000044904689 525596491 /nfs/dbraw/zinc/59/64/91/525596491.db2.gz UUJJTCGBKNWOGU-HNNXBMFYSA-N -1 3 406.935 4.321 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)NCC(C)C ZINC000408582525 557486178 /nfs/dbraw/zinc/48/61/78/557486178.db2.gz CXMXTBNLEAOIJF-UHFFFAOYSA-N -1 3 415.342 4.488 40 0 HIABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408586109 557489973 /nfs/dbraw/zinc/48/99/73/557489973.db2.gz AFXFEHVDSOHPRF-OAHLLOKOSA-N -1 3 424.950 4.133 40 0 HIABHM CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccccc1[O-] ZINC000408598845 557509436 /nfs/dbraw/zinc/50/94/36/557509436.db2.gz BRYFLRZMWUHJNC-UHFFFAOYSA-N -1 3 420.441 4.003 40 0 HIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1NC(=O)c1ccccc1 ZINC000408620324 557545533 /nfs/dbraw/zinc/54/55/33/557545533.db2.gz JDZWPDRBSLQZKB-UHFFFAOYSA-N -1 3 402.422 4.326 40 0 HIABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C ZINC000408627004 557559941 /nfs/dbraw/zinc/55/99/41/557559941.db2.gz XEJBEGYRTZRRLS-UHFFFAOYSA-N -1 3 410.495 4.333 40 0 HIABHM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)N1CCc2ccccc21 ZINC000020045203 558327227 /nfs/dbraw/zinc/32/72/27/558327227.db2.gz WKVUCPMGQUPXBS-UHFFFAOYSA-N -1 3 412.898 4.344 40 0 HIABHM CC1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)C1 ZINC000030750945 558735924 /nfs/dbraw/zinc/73/59/24/558735924.db2.gz WVLAESGXGQOFDI-UHFFFAOYSA-N -1 3 406.935 4.403 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccco2)cc1 ZINC000100799299 558796029 /nfs/dbraw/zinc/79/60/29/558796029.db2.gz JCPFPKCJPGQIBH-UFYCRDLUSA-N -1 3 408.841 4.293 40 0 HIABHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000101070279 558826386 /nfs/dbraw/zinc/82/63/86/558826386.db2.gz BGMVTEUMGWDEOV-WWNPGLIZSA-N -1 3 416.452 4.494 40 0 HIABHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCCc2ccccc21 ZINC000046462591 558840422 /nfs/dbraw/zinc/84/04/22/558840422.db2.gz YGPOLQCHSZMPOP-UHFFFAOYSA-N -1 3 410.470 4.220 40 0 HIABHM Cc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)sc1C ZINC000019124751 558844396 /nfs/dbraw/zinc/84/43/96/558844396.db2.gz WWCDLZDHUSNDCT-SFHVURJKSA-N -1 3 406.511 4.364 40 0 HIABHM Cc1cc2cc(C(=O)N[C@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)ccc2o1 ZINC000019126450 558844762 /nfs/dbraw/zinc/84/47/62/558844762.db2.gz VGWRWGOIJIGKBY-HXUWFJFHSA-N -1 3 405.429 4.398 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1C ZINC000013658695 558851502 /nfs/dbraw/zinc/85/15/02/558851502.db2.gz QVIBHYIQLLOPTC-VABKMULXSA-N -1 3 414.461 4.060 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1C ZINC000013777156 558868479 /nfs/dbraw/zinc/86/84/79/558868479.db2.gz AOEICVJWOJBSDO-VJBWXMMDSA-N -1 3 416.452 4.494 40 0 HIABHM COc1ccc([C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)NC(=O)C2CCCCC2)cc1 ZINC000019553294 558916417 /nfs/dbraw/zinc/91/64/17/558916417.db2.gz WOWIVIWMJHEWEY-NRFANRHFSA-N -1 3 409.530 4.026 40 0 HIABHM COCc1ccc(OC)c(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000019594348 558945420 /nfs/dbraw/zinc/94/54/20/558945420.db2.gz HJAFXYCGBLSMTF-OAQYLSRUSA-N -1 3 420.513 4.126 40 0 HIABHM CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000091301848 559070969 /nfs/dbraw/zinc/07/09/69/559070969.db2.gz HFNOECBPRSJRQD-UHFFFAOYSA-N -1 3 408.498 4.053 40 0 HIABHM CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000091301848 559070970 /nfs/dbraw/zinc/07/09/70/559070970.db2.gz HFNOECBPRSJRQD-UHFFFAOYSA-N -1 3 408.498 4.053 40 0 HIABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@H]1c1ccccc1 ZINC000408883643 560649603 /nfs/dbraw/zinc/64/96/03/560649603.db2.gz VHVRLBCYGGOTFS-IBGZPJMESA-N -1 3 410.495 4.156 40 0 HIABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@]2([O-])C(F)(F)F ZINC000409175295 560686980 /nfs/dbraw/zinc/68/69/80/560686980.db2.gz YZUBTEIZCRAFQM-AUJRIZCKSA-N -1 3 412.452 4.248 40 0 HIABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@]2([O-])C(F)(F)F ZINC000409175299 560687101 /nfs/dbraw/zinc/68/71/01/560687101.db2.gz YZUBTEIZCRAFQM-OWDMVUQNSA-N -1 3 412.452 4.248 40 0 HIABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccccc1)N2 ZINC000409361430 560714871 /nfs/dbraw/zinc/71/48/71/560714871.db2.gz SJSVUNSEJYQYMA-KKVAFCGZSA-N -1 3 412.452 4.367 40 0 HIABHM CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1[O-] ZINC000409411882 560721737 /nfs/dbraw/zinc/72/17/37/560721737.db2.gz MUBACJRNKDLHSG-UHFFFAOYSA-N -1 3 411.512 4.011 40 0 HIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000015438932 560855369 /nfs/dbraw/zinc/85/53/69/560855369.db2.gz MOMMRPBUDZJOCT-UHFFFAOYSA-N -1 3 424.522 4.457 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000004166164 560893457 /nfs/dbraw/zinc/89/34/57/560893457.db2.gz JCPFPKCJPGQIBH-ZCNNSNEGSA-N -1 3 408.841 4.293 40 0 HIABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)c1 ZINC000004279246 560894969 /nfs/dbraw/zinc/89/49/69/560894969.db2.gz LTLGWXSSEIRPKA-NJYVYQBISA-N -1 3 404.491 4.416 40 0 HIABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000005047036 568431779 /nfs/dbraw/zinc/43/17/79/568431779.db2.gz FVYSIYMSOZLWHG-BDTNDASRSA-N -1 3 402.425 4.185 40 0 HIABHM Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1CC(C)C ZINC000021122883 568461652 /nfs/dbraw/zinc/46/16/52/568461652.db2.gz LOSUXNILJLZFDK-UHFFFAOYSA-N -1 3 416.569 4.188 40 0 HIABHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)CC(C)(C)O2 ZINC000219286464 568489047 /nfs/dbraw/zinc/48/90/47/568489047.db2.gz ZXNJWNVGKLLCFB-QGZVFWFLSA-N -1 3 422.934 4.052 40 0 HIABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000222998192 568533871 /nfs/dbraw/zinc/53/38/71/568533871.db2.gz JDHMKUWQNBJPBT-ZDUSSCGKSA-N -1 3 407.919 4.045 40 0 HIABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1C(C)C ZINC000223898331 568562388 /nfs/dbraw/zinc/56/23/88/568562388.db2.gz APKWCWCQJSCYIL-UHFFFAOYSA-N -1 3 402.516 4.055 40 0 HIABHM Cc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000224079953 568568922 /nfs/dbraw/zinc/56/89/22/568568922.db2.gz HUTWOZDWAFNLNR-UHFFFAOYSA-N -1 3 412.486 4.207 40 0 HIABHM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000224552275 568584674 /nfs/dbraw/zinc/58/46/74/568584674.db2.gz KNGJRQHJFQQSBW-UHFFFAOYSA-N -1 3 405.516 4.413 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000224591808 568586746 /nfs/dbraw/zinc/58/67/46/568586746.db2.gz SJSKEBIZFXXVFE-VXKWHMMOSA-N -1 3 413.506 4.150 40 0 HIABHM COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3Cc3cccc(C(=O)[O-])c3)O[C@H]21 ZINC000257289296 568801316 /nfs/dbraw/zinc/80/13/16/568801316.db2.gz PXYYLPIOSUNIIQ-CUXKYVRBSA-N -1 3 423.509 4.285 40 0 HIABHM CCSc1nnc([N-]C(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)s1 ZINC000261527018 568821188 /nfs/dbraw/zinc/82/11/88/568821188.db2.gz VMGJDRJBEWXIEE-UHFFFAOYSA-N -1 3 419.479 4.422 40 0 HIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000007361401 569337279 /nfs/dbraw/zinc/33/72/79/569337279.db2.gz HNJKWPMZHUJTRY-UHFFFAOYSA-N -1 3 416.543 4.075 40 0 HIABHM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1[O-] ZINC000214042750 569356190 /nfs/dbraw/zinc/35/61/90/569356190.db2.gz WAQBXNHRGKQTLZ-OQLLNIDSSA-N -1 3 420.284 4.400 40 0 HIABHM Cc1nc([N-]c2nccnc2[C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)sc1C ZINC000585291666 571309919 /nfs/dbraw/zinc/30/99/19/571309919.db2.gz DYDPOZZCNJCCHA-VYENPZKTSA-N -1 3 419.554 4.713 40 0 HIABHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000032100755 519631747 /nfs/dbraw/zinc/63/17/47/519631747.db2.gz LAJKGTQRWKKKKE-HNNXBMFYSA-N -1 3 413.223 4.258 40 0 HIABHM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000408550666 557431342 /nfs/dbraw/zinc/43/13/42/557431342.db2.gz GDCJMHZUCWMUGP-UHFFFAOYSA-N -1 3 400.544 4.421 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1NC(=O)c1ccccc1F ZINC000408555132 557446283 /nfs/dbraw/zinc/44/62/83/557446283.db2.gz DSUMWJVIZSYLPV-UHFFFAOYSA-N -1 3 418.421 4.027 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(CC)cccc2CC)ccc1OC ZINC000408588057 557491638 /nfs/dbraw/zinc/49/16/38/557491638.db2.gz WSVAXIWBTJRVKV-UHFFFAOYSA-N -1 3 406.504 4.189 40 0 HIABHM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)ccc1C ZINC000408607808 557520356 /nfs/dbraw/zinc/52/03/56/557520356.db2.gz QLDBJDRPWMGOTR-UHFFFAOYSA-N -1 3 401.315 4.242 40 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ZINC000585262351 559110871 /nfs/dbraw/zinc/11/08/71/559110871.db2.gz UUYGNYRXQRGOEB-ADGBJGEGSA-N -1 3 423.509 4.042 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000102767328 559152568 /nfs/dbraw/zinc/15/25/68/559152568.db2.gz SCLQDEBYMGJAFU-NJYVYQBISA-N -1 3 406.388 4.016 40 0 HIABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000101132195 559177595 /nfs/dbraw/zinc/17/75/95/559177595.db2.gz NDIWNNJWRZVTDL-HKBOAZHASA-N -1 3 419.868 4.095 40 0 HIABHM CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896779 560543936 /nfs/dbraw/zinc/54/39/36/560543936.db2.gz LBKUFUZSFPUZSO-HNNXBMFYSA-N -1 3 410.543 4.317 40 0 HIABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@@H]1c1ccccc1 ZINC000408883644 560649626 /nfs/dbraw/zinc/64/96/26/560649626.db2.gz VHVRLBCYGGOTFS-LJQANCHMSA-N -1 3 410.495 4.156 40 0 HIABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000409057969 560670719 /nfs/dbraw/zinc/67/07/19/560670719.db2.gz XCXLCROUSZHZQN-RFAUZJTJSA-N -1 3 413.223 4.256 40 0 HIABHM Cc1ccc(CSCC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000409173020 560686739 /nfs/dbraw/zinc/68/67/39/560686739.db2.gz KPALUNJDMSTKBD-UHFFFAOYSA-N -1 3 406.392 4.031 40 0 HIABHM CN(C)c1ccc(-n2cccc2/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409234102 560700915 /nfs/dbraw/zinc/70/09/15/560700915.db2.gz LXBAKLMWNZEUDA-XSFVSMFZSA-N -1 3 406.873 4.294 40 0 HIABHM Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccccc3)c-2c1=O ZINC000103769130 560734623 /nfs/dbraw/zinc/73/46/23/560734623.db2.gz XIQCJYKEDDRRLD-UNMCSNQZSA-N -1 3 415.880 4.431 40 0 HIABHM COc1c(F)c(F)c(C(=O)[N-]c2nc3ccc(NC(C)=O)cc3s2)c(F)c1F ZINC000017089503 560864359 /nfs/dbraw/zinc/86/43/59/560864359.db2.gz GJZYFGSIZUGLQS-UHFFFAOYSA-N -1 3 413.352 4.072 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)c(C)c1 ZINC000005556202 568447131 /nfs/dbraw/zinc/44/71/31/568447131.db2.gz BEHNWZBSIRATNN-ZRBLBEILSA-N -1 3 416.452 4.494 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000020765611 568458819 /nfs/dbraw/zinc/45/88/19/568458819.db2.gz SDBKNFOLXPMHEC-UHFFFAOYSA-N -1 3 406.507 4.389 40 0 HIABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000222678710 568523336 /nfs/dbraw/zinc/52/33/36/568523336.db2.gz LSUGXAKPABNUST-UHFFFAOYSA-N -1 3 424.522 4.146 40 0 HIABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1C(C)C ZINC000222727265 568524814 /nfs/dbraw/zinc/52/48/14/568524814.db2.gz AFFQQGZJMRSITO-UHFFFAOYSA-N -1 3 416.543 4.363 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)c(C)c2)cc1 ZINC000222764503 568525766 /nfs/dbraw/zinc/52/57/66/568525766.db2.gz URMDYHXKQHGMAO-UHFFFAOYSA-N -1 3 424.522 4.146 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)ccc3C)cc2)cc1 ZINC000224551779 568584813 /nfs/dbraw/zinc/58/48/13/568584813.db2.gz FQHQNWRPEYIWNB-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3C[C@H]21 ZINC000257219482 568781808 /nfs/dbraw/zinc/78/18/08/568781808.db2.gz DGXVDNUYNADEID-IYERYRBDSA-N -1 3 423.509 4.230 40 0 HIABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3C[C@@H]21 ZINC000257219483 568781877 /nfs/dbraw/zinc/78/18/77/568781877.db2.gz DGXVDNUYNADEID-QTPAZIJBSA-N -1 3 423.509 4.230 40 0 HIABHM Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)[n-]c(=O)n1 ZINC000257229897 568785007 /nfs/dbraw/zinc/78/50/07/568785007.db2.gz FZXIEEYYLZNKAU-SFHVURJKSA-N -1 3 412.877 4.090 40 0 HIABHM CC(C)c1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006346593 569331115 /nfs/dbraw/zinc/33/11/15/569331115.db2.gz SCKHDDGDGWXBPP-UHFFFAOYSA-N -1 3 401.315 4.034 40 0 HIABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000107615502 569352722 /nfs/dbraw/zinc/35/27/22/569352722.db2.gz YGCHJNVRVKIICP-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000108003858 569353311 /nfs/dbraw/zinc/35/33/11/569353311.db2.gz NFGOWZKUHLRHHE-SFHVURJKSA-N -1 3 424.522 4.052 40 0 HIABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000009282763 569392101 /nfs/dbraw/zinc/39/21/01/569392101.db2.gz NDIWNNJWRZVTDL-NJYVYQBISA-N -1 3 419.868 4.095 40 0 HIABHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(OC)c(OC)c2)c(Cl)c1Cl ZINC000020045067 525073052 /nfs/dbraw/zinc/07/30/52/525073052.db2.gz XZQVPFJWKLATIP-SNVBAGLBSA-N -1 3 420.314 4.059 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1NC(=O)c1ccccc1C ZINC000408561606 557460015 /nfs/dbraw/zinc/46/00/15/557460015.db2.gz UCJGGQAQZNJVSJ-UHFFFAOYSA-N -1 3 414.458 4.196 40 0 HIABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C ZINC000408621051 557546047 /nfs/dbraw/zinc/54/60/47/557546047.db2.gz KWOCNRCWPWQLAZ-UHFFFAOYSA-N -1 3 406.813 4.426 40 0 HIABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408701659 557724867 /nfs/dbraw/zinc/72/48/67/557724867.db2.gz BWGBALBJBWQFIJ-UHFFFAOYSA-N -1 3 406.813 4.373 40 0 HIABHM Cc1ccccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014061077 558616019 /nfs/dbraw/zinc/61/60/19/558616019.db2.gz ZQMVZBJYIPHMQM-INIZCTEOSA-N -1 3 412.486 4.426 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c(C)c1 ZINC000101041277 558825845 /nfs/dbraw/zinc/82/58/45/558825845.db2.gz KQLJQEYSXFFULJ-ZLNRFVROSA-N -1 3 416.452 4.494 40 0 HIABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N[C@H](C)c4ccccc4)n3)CC2=O)c1C ZINC000019235559 558854557 /nfs/dbraw/zinc/85/45/57/558854557.db2.gz UJTSGPZFHDYLLA-MJGOQNOKSA-N -1 3 402.498 4.080 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000102767878 559152597 /nfs/dbraw/zinc/15/25/97/559152597.db2.gz NBHWJPUIBACJGY-HKBOAZHASA-N -1 3 406.388 4.016 40 0 HIABHM CC(C)c1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006050047 559190114 /nfs/dbraw/zinc/19/01/14/559190114.db2.gz XYSBMKKPNURIRX-LBPRGKRZSA-N -1 3 415.342 4.422 40 0 HIABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c(Cl)c1 ZINC000008369834 559281140 /nfs/dbraw/zinc/28/11/40/559281140.db2.gz JJTONGGSOVBNFV-OQLLNIDSSA-N -1 3 406.891 4.334 40 0 HIABHM O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000408957423 560657918 /nfs/dbraw/zinc/65/79/18/560657918.db2.gz UKCYZLJRPNSFRR-BMIGLBTASA-N -1 3 411.207 4.012 40 0 HIABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409171958 560686634 /nfs/dbraw/zinc/68/66/34/560686634.db2.gz FMCSRVAQGAYJFB-ZUCKAHLUSA-N -1 3 420.884 4.459 40 0 HIABHM CCCCCN1C(=O)S/C(=C\c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409216351 560697224 /nfs/dbraw/zinc/69/72/24/560697224.db2.gz HMXMOYCHYQQMOM-LCYFTJDESA-N -1 3 400.294 4.390 40 0 HIABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000102756892 560731903 /nfs/dbraw/zinc/73/19/03/560731903.db2.gz ILPVRDSCXQFLTK-BHIFYINESA-N -1 3 402.425 4.185 40 0 HIABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(I)cc2C)c(C)c1 ZINC000003100370 560733318 /nfs/dbraw/zinc/73/33/18/560733318.db2.gz DBJNMQRTTJPVAJ-UHFFFAOYSA-N -1 3 415.296 4.326 40 0 HIABHM COc1ccccc1NC(=N)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009938420 560760698 /nfs/dbraw/zinc/76/06/98/560760698.db2.gz GFQQTNBEVQCAGE-UHFFFAOYSA-N -1 3 415.906 4.183 40 0 HIABHM Cc1nc(NC(=N)Nc2cccc(C(F)(F)F)c2)[n-]c(=O)c1Cc1ccccc1 ZINC000017082155 560862052 /nfs/dbraw/zinc/86/20/52/560862052.db2.gz DFCUBBFBCWSUER-UHFFFAOYSA-N -1 3 401.392 4.147 40 0 HIABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000005255323 568442843 /nfs/dbraw/zinc/44/28/43/568442843.db2.gz NSWXOHWQFKYLJZ-ZLNRFVROSA-N -1 3 414.461 4.136 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000020765720 568458829 /nfs/dbraw/zinc/45/88/29/568458829.db2.gz WQXJKGZNOJLHFK-UHFFFAOYSA-N -1 3 422.506 4.089 40 0 HIABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc21 ZINC000222597380 568519841 /nfs/dbraw/zinc/51/98/41/568519841.db2.gz VBJNVXFEJNCIHE-UHFFFAOYSA-N -1 3 414.527 4.108 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3noc(C(C)C)n3)cc2)cc1C ZINC000222997286 568533758 /nfs/dbraw/zinc/53/37/58/568533758.db2.gz VZTCUGZADRZOHQ-UHFFFAOYSA-N -1 3 415.515 4.292 40 0 HIABHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1N1CCCC1=O ZINC000223668111 568555637 /nfs/dbraw/zinc/55/56/37/568555637.db2.gz IPDSYAVWVNUFAT-UHFFFAOYSA-N -1 3 414.527 4.026 40 0 HIABHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000223713216 568557101 /nfs/dbraw/zinc/55/71/01/568557101.db2.gz ANMGHJTXCAYRLN-UHFFFAOYSA-N -1 3 419.449 4.031 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)cc1 ZINC000224059351 568568221 /nfs/dbraw/zinc/56/82/21/568568221.db2.gz JJOFHGUXOYKEFH-UHFFFAOYSA-N -1 3 414.458 4.196 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)cc1 ZINC000224570120 568585847 /nfs/dbraw/zinc/58/58/47/568585847.db2.gz BWMBCFPOKQIAQZ-UHFFFAOYSA-N -1 3 410.495 4.122 40 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/nfs/dbraw/zinc/35/26/93/569352693.db2.gz CZHVOLMTTVGLOZ-JTQLQIEISA-N -1 3 421.733 4.261 40 0 HIABHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032099982 520888542 /nfs/dbraw/zinc/88/85/42/520888542.db2.gz SIEFXOCLIILBCY-OAQYLSRUSA-N -1 3 420.431 4.250 40 0 HIABHM COc1cccc(C(=O)CC(=C([O-])c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408687136 557702868 /nfs/dbraw/zinc/70/28/68/557702868.db2.gz SXHKUVQCFYVOBH-QHCPKHFHSA-N -1 3 422.502 4.302 40 0 HIABHM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104869 557834305 /nfs/dbraw/zinc/83/43/05/557834305.db2.gz RUPGJZYOWPEEAK-NVGCLXPQSA-N -1 3 406.502 4.404 40 0 HIABHM CN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000011334470 558263595 /nfs/dbraw/zinc/26/35/95/558263595.db2.gz FCRPEEFIYKCCHJ-UHFFFAOYSA-N -1 3 416.449 4.038 40 0 HIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cccc(Br)c1 ZINC000019937613 558312503 /nfs/dbraw/zinc/31/25/03/558312503.db2.gz MVBHRLUMPSXWNM-UHFFFAOYSA-N -1 3 418.678 4.034 40 0 HIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)NCc1ccc(Cl)cc1Cl ZINC000019937578 558312540 /nfs/dbraw/zinc/31/25/40/558312540.db2.gz ALVVHUNLONWXEE-UHFFFAOYSA-N -1 3 422.699 4.256 40 0 HIABHM C[C@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000019937725 558312798 /nfs/dbraw/zinc/31/27/98/558312798.db2.gz PROPBYHNHQKANO-LBPRGKRZSA-N -1 3 402.281 4.164 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2Cl)cc1 ZINC000020451779 558366030 /nfs/dbraw/zinc/36/60/30/558366030.db2.gz YGMOIYQCCCWXMJ-UHFFFAOYSA-N -1 3 406.935 4.465 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2Cl)cc1 ZINC000020488858 558377150 /nfs/dbraw/zinc/37/71/50/558377150.db2.gz BYLKPMZHJRRSTD-MDOVXXIYSA-N -1 3 418.946 4.368 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000100799346 558796109 /nfs/dbraw/zinc/79/61/09/558796109.db2.gz CFPAIWKZMJGJHM-ACRUOGEOSA-N -1 3 404.491 4.416 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c(C)c1 ZINC000013512173 558835792 /nfs/dbraw/zinc/83/57/92/558835792.db2.gz KQLJQEYSXFFULJ-VABKMULXSA-N -1 3 416.452 4.494 40 0 HIABHM O=C(C1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019014686 558836769 /nfs/dbraw/zinc/83/67/69/558836769.db2.gz LKPXNJAJTBWRRF-NRFANRHFSA-N -1 3 412.578 4.117 40 0 HIABHM Cc1ccc([C@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019136262 558846219 /nfs/dbraw/zinc/84/62/19/558846219.db2.gz LUABSFNXDWVGDG-KSFYIVLOSA-N -1 3 414.509 4.484 40 0 HIABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N[C@@H]4CCc5ccccc54)n3)CC2=O)c1C ZINC000019235570 558854694 /nfs/dbraw/zinc/85/46/94/558854694.db2.gz RYZGTJALFYFGLN-UYAOXDASSA-N -1 3 414.509 4.007 40 0 HIABHM CCOC(=O)c1c(O)cc([O-])cc1/C=C/c1ccc(I)s1 ZINC000035973596 558925567 /nfs/dbraw/zinc/92/55/67/558925567.db2.gz QVNHOHCSFDFRCJ-ONEGZZNKSA-N -1 3 416.236 4.111 40 0 HIABHM O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cc(Br)ccc1[O-] ZINC000408844374 560646337 /nfs/dbraw/zinc/64/63/37/560646337.db2.gz NXJPJMUOPDTXAO-MDWZMJQESA-N -1 3 423.060 4.262 40 0 HIABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2c(C)cc(C)cc2C)N1 ZINC000408949169 560657059 /nfs/dbraw/zinc/65/70/59/560657059.db2.gz DXQYDMQIOXYMMG-IBGZPJMESA-N -1 3 400.441 4.410 40 0 HIABHM O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000408957425 560657932 /nfs/dbraw/zinc/65/79/32/560657932.db2.gz UKCYZLJRPNSFRR-BONVTDFDSA-N -1 3 411.207 4.012 40 0 HIABHM CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1[O-] ZINC000409411968 560721768 /nfs/dbraw/zinc/72/17/68/560721768.db2.gz OPWFNRAKBNFEPS-UHFFFAOYSA-N -1 3 422.432 4.420 40 0 HIABHM C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000409412652 560722995 /nfs/dbraw/zinc/72/29/95/560722995.db2.gz VWIIUEXGXHDXFU-QFBILLFUSA-N -1 3 422.554 4.427 40 0 HIABHM C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000409412654 560723033 /nfs/dbraw/zinc/72/30/33/560723033.db2.gz VWIIUEXGXHDXFU-VQIMIIECSA-N -1 3 422.554 4.427 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)N1CCCCCC1 ZINC000007360851 560750460 /nfs/dbraw/zinc/75/04/60/560750460.db2.gz WWWMLTCUWXBTOX-UHFFFAOYSA-N -1 3 416.543 4.129 40 0 HIABHM COc1ccccc1[C@H]1CC(=O)c2c[n-]c3nn(-c4ccc(Cl)cc4)c(=O)c-3c2C1 ZINC000013639605 560826207 /nfs/dbraw/zinc/82/62/07/560826207.db2.gz SEBMJOVISLQTTJ-CYBMUJFWSA-N -1 3 419.868 4.289 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c(C)c1 ZINC000005025828 568431221 /nfs/dbraw/zinc/43/12/21/568431221.db2.gz KQLJQEYSXFFULJ-ZRBLBEILSA-N -1 3 416.452 4.494 40 0 HIABHM COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Br)c1[O-] ZINC000222574091 568518865 /nfs/dbraw/zinc/51/88/65/568518865.db2.gz JTLQOEOWBXLQNN-CIISACIHSA-N -1 3 420.332 4.148 40 0 HIABHM Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccccc4F)ccc32)cc1 ZINC000223375015 568546897 /nfs/dbraw/zinc/54/68/97/568546897.db2.gz KPPSZFAFTNNTHC-UHFFFAOYSA-N -1 3 410.470 4.138 40 0 HIABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000223629223 568553982 /nfs/dbraw/zinc/55/39/82/568553982.db2.gz BTKGQVGDUUSCQO-UHFFFAOYSA-N -1 3 405.907 4.133 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(C)cc3)ccc2C)cc1 ZINC000224058545 568568194 /nfs/dbraw/zinc/56/81/94/568568194.db2.gz QSFWSMCWWQBULU-UHFFFAOYSA-N -1 3 424.522 4.043 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1C ZINC000225180716 568620776 /nfs/dbraw/zinc/62/07/76/568620776.db2.gz GVRWWVSGEAEREX-UHFFFAOYSA-N -1 3 406.529 4.070 40 0 HIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000007230244 569336893 /nfs/dbraw/zinc/33/68/93/569336893.db2.gz ZODGWFXTQDKUQA-UHFFFAOYSA-N -1 3 416.543 4.257 40 0 HIABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362164 569337474 /nfs/dbraw/zinc/33/74/74/569337474.db2.gz NTQVKZJXZGJNHK-SFHVURJKSA-N -1 3 418.559 4.096 40 0 HIABHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCC(C)CC1 ZINC000026118571 569349977 /nfs/dbraw/zinc/34/99/77/569349977.db2.gz AENRUNKXBMDPFI-UHFFFAOYSA-N -1 3 422.547 4.221 40 0 HIABHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000035079666 569351636 /nfs/dbraw/zinc/35/16/36/569351636.db2.gz QCPCKSRSGCMZON-JTQLQIEISA-N -1 3 421.733 4.261 40 0 HIABHM COc1cccc(Cc2cnc([C@H]3CCCN(Cc4ccc(C(=O)[O-])cc4)C3)o2)c1 ZINC000257256344 569397874 /nfs/dbraw/zinc/39/78/74/569397874.db2.gz KLASNDDXRFJZOT-FQEVSTJZSA-N -1 3 406.482 4.352 40 0 HIABHM COc1ccc(C2=C(Cl)C(=O)N(c3ccc([O-])cc3)C(=O)C2(Cl)Cl)cc1 ZINC000001584235 132247165 /nfs/dbraw/zinc/24/71/65/132247165.db2.gz RTFGSJPPNZKGKR-UHFFFAOYSA-N -1 3 412.656 4.098 40 0 HIABHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000032100758 519631847 /nfs/dbraw/zinc/63/18/47/519631847.db2.gz LAJKGTQRWKKKKE-OAHLLOKOSA-N -1 3 413.223 4.258 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1ccccc1 ZINC000408553530 557432855 /nfs/dbraw/zinc/43/28/55/557432855.db2.gz XDDRINZDNMBWGI-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1ccccc1 ZINC000408552065 557440665 /nfs/dbraw/zinc/44/06/65/557440665.db2.gz NQJQOBOOFFIGRO-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)N1CCCC1 ZINC000408559638 557457151 /nfs/dbraw/zinc/45/71/51/557457151.db2.gz AMQMACPTQPCYFZ-UHFFFAOYSA-N -1 3 414.314 4.422 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(=O)c1ccccc1C ZINC000408560488 557458709 /nfs/dbraw/zinc/45/87/09/557458709.db2.gz PGGLHFCIFLJHCC-UHFFFAOYSA-N -1 3 414.458 4.196 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)NCC(C)C ZINC000408583784 557483129 /nfs/dbraw/zinc/48/31/29/557483129.db2.gz KDHSZMRECDBVIP-UHFFFAOYSA-N -1 3 415.342 4.488 40 0 HIABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000013980900 558610396 /nfs/dbraw/zinc/61/03/96/558610396.db2.gz SUMPIWOTJPTNPR-UHFFFAOYSA-N -1 3 424.522 4.294 40 0 HIABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)c1 ZINC000100622776 558765147 /nfs/dbraw/zinc/76/51/47/558765147.db2.gz LTLGWXSSEIRPKA-HKBOAZHASA-N -1 3 404.491 4.416 40 0 HIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000100901426 558802516 /nfs/dbraw/zinc/80/25/16/558802516.db2.gz RUFOYNQSJVCYMU-VABKMULXSA-N -1 3 414.461 4.006 40 0 HIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CC(C)C)cc1 ZINC000101041309 558825787 /nfs/dbraw/zinc/82/57/87/558825787.db2.gz PVHNACHDIDKRKZ-VSKRKVRLSA-N -1 3 408.498 4.200 40 0 HIABHM O=C(c1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019292787 558864564 /nfs/dbraw/zinc/86/45/64/558864564.db2.gz JBMVCPXYZSYLPX-UHFFFAOYSA-N -1 3 417.893 4.311 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cc1 ZINC000059132999 558932320 /nfs/dbraw/zinc/93/23/20/558932320.db2.gz IWFXMIZZQIDMTO-QGZVFWFLSA-N -1 3 410.495 4.202 40 0 HIABHM O=C(CCCc1ccccc1)N1CCCC[C@@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072378093 558967356 /nfs/dbraw/zinc/96/73/56/558967356.db2.gz 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O=c1[n-]c(-c2ccc(-c3ccc(I)cc3)o2)nc2ccccc12 ZINC000409260590 560704504 /nfs/dbraw/zinc/70/45/04/560704504.db2.gz SNWNLKWMNCPCSB-UHFFFAOYSA-N -1 3 414.202 4.455 40 0 HIABHM O=C(CSCc1ccccc1)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000409365902 560715417 /nfs/dbraw/zinc/71/54/17/560715417.db2.gz PQMNEXIFZYLESG-SFHVURJKSA-N -1 3 400.466 4.339 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102728201 560731714 /nfs/dbraw/zinc/73/17/14/560731714.db2.gz GUSRRSRXMWIWQD-VXNXHJTFSA-N -1 3 421.456 4.286 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004898269 568422578 /nfs/dbraw/zinc/42/25/78/568422578.db2.gz PQRXXEZTUSVBNK-HKBOAZHASA-N -1 3 404.853 4.391 40 0 HIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000005033362 568431563 /nfs/dbraw/zinc/43/15/63/568431563.db2.gz RUFOYNQSJVCYMU-ZLNRFVROSA-N -1 3 414.461 4.006 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 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3 413.326 4.339 40 0 HIABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1C ZINC000408624977 557556242 /nfs/dbraw/zinc/55/62/42/557556242.db2.gz UZDVDCSILHAQSU-UHFFFAOYSA-N -1 3 410.495 4.338 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)cc1 ZINC000006416073 557701732 /nfs/dbraw/zinc/70/17/32/557701732.db2.gz XDTRAGOSTWVDKM-UHFFFAOYSA-N -1 3 416.543 4.014 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 ZINC000408702049 557725391 /nfs/dbraw/zinc/72/53/91/557725391.db2.gz AHYOGVDIFOLIAM-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CCOc1cccc2c(C)nc(Nc3nc(-c4ccccc4Cl)cc(=O)[n-]3)nc12 ZINC000020633986 558395431 /nfs/dbraw/zinc/39/54/31/558395431.db2.gz FRNPXOIKRMRUPR-UHFFFAOYSA-N -1 3 407.861 4.484 40 0 HIABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)c1 ZINC000016267237 558782346 /nfs/dbraw/zinc/78/23/46/558782346.db2.gz VKZFJJRDAGFBRQ-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc(F)cc1 ZINC000018085224 558830769 /nfs/dbraw/zinc/83/07/69/558830769.db2.gz GUBXSFAEOFVXPN-CQSZACIVSA-N -1 3 416.449 4.257 40 0 HIABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N[C@H]4CCc5ccccc54)n3)CC2=O)c1C ZINC000019235572 558854688 /nfs/dbraw/zinc/85/46/88/558854688.db2.gz RYZGTJALFYFGLN-QUCCMNQESA-N -1 3 414.509 4.007 40 0 HIABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N[C@@H]4CCc5ccccc54)n3)CC2=O)c1C ZINC000019235569 558854716 /nfs/dbraw/zinc/85/47/16/558854716.db2.gz RYZGTJALFYFGLN-AZUAARDMSA-N -1 3 414.509 4.007 40 0 HIABHM Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000013786524 558869400 /nfs/dbraw/zinc/86/94/00/558869400.db2.gz ILPVRDSCXQFLTK-FKBYEOEOSA-N -1 3 402.425 4.185 40 0 HIABHM FC(F)(F)c1cccnc1[N-]c1nccc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072377623 558966956 /nfs/dbraw/zinc/96/69/56/558966956.db2.gz XCGZJWRACIQXDH-INIZCTEOSA-N -1 3 414.435 4.409 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccs1 ZINC000100566724 559136612 /nfs/dbraw/zinc/13/66/12/559136612.db2.gz HBUUSADWLVKENE-OTWHNJEPSA-N -1 3 410.882 4.453 40 0 HIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101129722 559172154 /nfs/dbraw/zinc/17/21/54/559172154.db2.gz YDFNFNCLYUEFQC-ZLNRFVROSA-N -1 3 416.452 4.439 40 0 HIABHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2c(C)cc(C)cc2C)N1 ZINC000408949176 560657097 /nfs/dbraw/zinc/65/70/97/560657097.db2.gz DXQYDMQIOXYMMG-LJQANCHMSA-N -1 3 400.441 4.410 40 0 HIABHM O=C(CSCc1ccccc1)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000409365899 560715432 /nfs/dbraw/zinc/71/54/32/560715432.db2.gz PQMNEXIFZYLESG-GOSISDBHSA-N -1 3 400.466 4.339 40 0 HIABHM CCC[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000102726773 560731732 /nfs/dbraw/zinc/73/17/32/560731732.db2.gz OAEOLBCEEPGHDO-LZLYRXPVSA-N -1 3 405.281 4.472 40 0 HIABHM CCCC(=O)Nc1ccc(Cl)c(NC([S-])=NC(=O)C(Cl)(Cl)Cl)c1 ZINC000016637069 560861122 /nfs/dbraw/zinc/86/11/22/560861122.db2.gz FOZQOJJNKCPMNE-UHFFFAOYSA-N -1 3 417.145 4.262 40 0 HIABHM CCCC(=O)Nc1ccc(Cl)c(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)c1 ZINC000016637069 560861124 /nfs/dbraw/zinc/86/11/24/560861124.db2.gz FOZQOJJNKCPMNE-UHFFFAOYSA-N -1 3 417.145 4.262 40 0 HIABHM COc1c(F)c(F)c(C(=O)NC(=S)Nc2c([O-])ccc3ccccc32)c(F)c1F ZINC000017093825 560868368 /nfs/dbraw/zinc/86/83/68/560868368.db2.gz OLFDQGZYDUJNNI-UHFFFAOYSA-N -1 3 424.375 4.237 40 0 HIABHM O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224534571 568583994 /nfs/dbraw/zinc/58/39/94/568583994.db2.gz MENRIJOOKZKDIL-UHFFFAOYSA-N -1 3 416.499 4.357 40 0 HIABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1C ZINC000224550291 568584816 /nfs/dbraw/zinc/58/48/16/568584816.db2.gz IONMCCCVDOWKOU-UHFFFAOYSA-N -1 3 412.486 4.425 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)cc1 ZINC000224575161 568585948 /nfs/dbraw/zinc/58/59/48/568585948.db2.gz YNGKVHFOLNUJOO-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000224591897 568586648 /nfs/dbraw/zinc/58/66/48/568586648.db2.gz SJSKEBIZFXXVFE-FCHUYYIVSA-N -1 3 413.506 4.150 40 0 HIABHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000028206562 568594486 /nfs/dbraw/zinc/59/44/86/568594486.db2.gz MNFHMVWIEQEXMM-UHFFFAOYSA-N -1 3 406.507 4.253 40 0 HIABHM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3)cc2sc1=O ZINC000225730085 568668721 /nfs/dbraw/zinc/66/87/21/568668721.db2.gz YZOYFGRIJOGISU-UHFFFAOYSA-N -1 3 406.529 4.061 40 0 HIABHM O=C([O-])c1sc2ccccc2c1C[C@@H]1CCCN1CC(=O)N1CCc2ccccc21 ZINC000257241586 568787826 /nfs/dbraw/zinc/78/78/26/568787826.db2.gz HYPZKRYXFNTBTF-KRWDZBQOSA-N -1 3 420.534 4.196 40 0 HIABHM Cc1cc(CCCC(=O)N2CCC[C@H]2c2cncc([N-]c3ncccn3)n2)ccc1F ZINC000257306176 568806274 /nfs/dbraw/zinc/80/62/74/568806274.db2.gz STFAGTISBURQBP-FQEVSTJZSA-N -1 3 420.492 4.144 40 0 HIABHM CC(=O)Cc1nsc([N-]C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)n1 ZINC000026780073 569047866 /nfs/dbraw/zinc/04/78/66/569047866.db2.gz BQYIDWHABKPHSD-UHFFFAOYSA-N -1 3 417.494 4.083 40 0 HIABHM CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1[O-] ZINC000006620355 569334039 /nfs/dbraw/zinc/33/40/39/569334039.db2.gz BROZPZVOVLPACU-QPSGOUHRSA-N -1 3 404.186 4.413 40 0 HIABHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033609177 569350692 /nfs/dbraw/zinc/35/06/92/569350692.db2.gz SLJZTJJYEGNHJX-SNVBAGLBSA-N -1 3 421.733 4.261 40 0 HIABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc2ccccc21 ZINC000033707846 569351082 /nfs/dbraw/zinc/35/10/82/569351082.db2.gz VCWMZZHKIUWVED-GFCCVEGCSA-N -1 3 423.321 4.452 40 0 HIABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000033741800 569351287 /nfs/dbraw/zinc/35/12/87/569351287.db2.gz VJTNPLBKQBRSFX-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM CCN1CCO[C@H](c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)C1 ZINC000043201044 569351955 /nfs/dbraw/zinc/35/19/55/569351955.db2.gz SVIVAENOUMHBBT-QFIPXVFZSA-N -1 3 402.560 4.312 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000012017546 569399426 /nfs/dbraw/zinc/39/94/26/569399426.db2.gz CFPAIWKZMJGJHM-HKBOAZHASA-N -1 3 404.491 4.416 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCCC1 ZINC000408587407 557490633 /nfs/dbraw/zinc/49/06/33/557490633.db2.gz BROYJYXHHWBIII-UHFFFAOYSA-N -1 3 413.326 4.339 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)NC(C)C ZINC000408594355 557512089 /nfs/dbraw/zinc/51/20/89/557512089.db2.gz ORBPFLYVGXJCJM-UHFFFAOYSA-N -1 3 401.315 4.241 40 0 HIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 ZINC000408620847 557545766 /nfs/dbraw/zinc/54/57/66/557545766.db2.gz JYWBZHMGJAYANA-UHFFFAOYSA-N -1 3 410.495 4.447 40 0 HIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000019937633 558312547 /nfs/dbraw/zinc/31/25/47/558312547.db2.gz MRXTVIBRJTYCNB-UHFFFAOYSA-N -1 3 407.779 4.290 40 0 HIABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C ZINC000026459779 558661404 /nfs/dbraw/zinc/66/14/04/558661404.db2.gz IIKWFEYBVIGJMT-UHFFFAOYSA-N -1 3 401.269 4.017 40 0 HIABHM CC(=O)[C@H](CN1CCCCC1)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841740 558752916 /nfs/dbraw/zinc/75/29/16/558752916.db2.gz LCWZRYMUXMMGCE-UNMCSNQZSA-N -1 3 405.494 4.322 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2Cl)cc1 ZINC000038757087 558814956 /nfs/dbraw/zinc/81/49/56/558814956.db2.gz KOFJUJIBZYIDEB-UHFFFAOYSA-N -1 3 414.914 4.379 40 0 HIABHM CCC[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000101027224 558825199 /nfs/dbraw/zinc/82/51/99/558825199.db2.gz PBLBZXKHIMOEEP-BZSNNMDCSA-N -1 3 404.388 4.184 40 0 HIABHM Cc1ccc([C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019135817 558846046 /nfs/dbraw/zinc/84/60/46/558846046.db2.gz GKQIGNIKNZNBNN-HNNXBMFYSA-N -1 3 408.527 4.124 40 0 HIABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(NCc4ccc(Cl)cc4)n3)CC2=O)c1C ZINC000019235587 558854734 /nfs/dbraw/zinc/85/47/34/558854734.db2.gz LQFDLBGOPRRYPY-QGZVFWFLSA-N -1 3 422.916 4.173 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000013806668 558883685 /nfs/dbraw/zinc/88/36/85/558883685.db2.gz RPNKTIDKSYHAFW-FKBYEOEOSA-N -1 3 402.425 4.185 40 0 HIABHM COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1C ZINC000019571171 558929921 /nfs/dbraw/zinc/92/99/21/558929921.db2.gz WKPBHAQZHIBUHL-LJQANCHMSA-N -1 3 423.538 4.112 40 0 HIABHM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Cl)c(Cl)c2)C3)C1 ZINC000072347334 558944473 /nfs/dbraw/zinc/94/44/73/558944473.db2.gz GUZSDLGQAYZFNA-CYBMUJFWSA-N -1 3 407.345 4.284 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000095349889 559079713 /nfs/dbraw/zinc/07/97/13/559079713.db2.gz JKBFEHQBJALXIB-FKBYEOEOSA-N -1 3 402.425 4.185 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(F)c1 ZINC000102762227 559152561 /nfs/dbraw/zinc/15/25/61/559152561.db2.gz PFUFINGZQLOXFT-ACRUOGEOSA-N -1 3 406.388 4.016 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000102767326 559152602 /nfs/dbraw/zinc/15/26/02/559152602.db2.gz SCLQDEBYMGJAFU-HBMCJLEFSA-N -1 3 406.388 4.016 40 0 HIABHM Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000105848946 559163182 /nfs/dbraw/zinc/16/31/82/559163182.db2.gz OODJSDVIYNBBMD-INIZCTEOSA-N -1 3 412.486 4.426 40 0 HIABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000408914703 560653931 /nfs/dbraw/zinc/65/39/31/560653931.db2.gz XHCIJVNMITVASD-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM COC(=O)c1ccccc1-c1ccc(/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409070522 560673169 /nfs/dbraw/zinc/67/31/69/560673169.db2.gz YWQFYOBCBXXFCR-LDADJPATSA-N -1 3 422.824 4.484 40 0 HIABHM Cc1ccccc1OCC(=O)N1NC2=C(C[C@@H](C(C)(C)C)CC2)[C@@]1([O-])C(F)(F)F ZINC000409088977 560675074 /nfs/dbraw/zinc/67/50/74/560675074.db2.gz MLMKAWIGKYBYBL-BXTJHSDWSA-N -1 3 412.452 4.285 40 0 HIABHM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000409412648 560723025 /nfs/dbraw/zinc/72/30/25/560723025.db2.gz VWIIUEXGXHDXFU-APWZRJJASA-N -1 3 422.554 4.427 40 0 HIABHM Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccccc3)c-2c1=O ZINC000103769146 560734650 /nfs/dbraw/zinc/73/46/50/560734650.db2.gz XIQCJYKEDDRRLD-IFMALSPDSA-N -1 3 415.880 4.431 40 0 HIABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000216097433 560836978 /nfs/dbraw/zinc/83/69/78/560836978.db2.gz FALWYKXRXMTWNZ-UHFFFAOYSA-N -1 3 418.824 4.069 40 0 HIABHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014152342 560838924 /nfs/dbraw/zinc/83/89/24/560838924.db2.gz LDZZJWJJDPHTFA-UHFFFAOYSA-N -1 3 402.785 4.468 40 0 HIABHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014152342 560838926 /nfs/dbraw/zinc/83/89/26/560838926.db2.gz LDZZJWJJDPHTFA-UHFFFAOYSA-N -1 3 402.785 4.468 40 0 HIABHM O=C(CSc1n[n-]c(-c2ccco2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014152342 560838928 /nfs/dbraw/zinc/83/89/28/560838928.db2.gz LDZZJWJJDPHTFA-UHFFFAOYSA-N -1 3 402.785 4.468 40 0 HIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)c1 ZINC000005054885 568431934 /nfs/dbraw/zinc/43/19/34/568431934.db2.gz PJHSNMLQMDNNBY-ZLNRFVROSA-N -1 3 414.461 4.055 40 0 HIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1Cl ZINC000224413211 568580581 /nfs/dbraw/zinc/58/05/81/568580581.db2.gz TZFJSHVZYYNSEM-UHFFFAOYSA-N -1 3 400.887 4.216 40 0 HIABHM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224521554 568583503 /nfs/dbraw/zinc/58/35/03/568583503.db2.gz OKMSHBXEPWDJPY-UHFFFAOYSA-N -1 3 416.886 4.158 40 0 HIABHM O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224532724 568583842 /nfs/dbraw/zinc/58/38/42/568583842.db2.gz GWBTZKZCLWFELQ-UHFFFAOYSA-N -1 3 400.887 4.322 40 0 HIABHM CCn1c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2sc1=O ZINC000225099370 568614392 /nfs/dbraw/zinc/61/43/92/568614392.db2.gz ALAWUSHYWLLYIC-UHFFFAOYSA-N -1 3 417.339 4.332 40 0 HIABHM COc1cc([C@H]2CSc3nc4sc5c(c4c(=O)n32)CCCC5)cc(Cl)c1[O-] ZINC000001089949 568930455 /nfs/dbraw/zinc/93/04/55/568930455.db2.gz QQPNMXAWRRCGJD-GFCCVEGCSA-N -1 3 420.943 4.400 40 0 HIABHM COc1ccc(-c2csc(NC(=S)[N-]C(=O)COc3cccc(C)c3)n2)cc1 ZINC000006034912 569329305 /nfs/dbraw/zinc/32/93/05/569329305.db2.gz HFTZDACHENKPJR-UHFFFAOYSA-N -1 3 413.524 4.019 40 0 HIABHM O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019014833 569345201 /nfs/dbraw/zinc/34/52/01/569345201.db2.gz RKILYBBUVGMIPN-XMSQKQJNSA-N -1 3 424.589 4.140 40 0 HIABHM O=C([O-])COc1ccc(CN2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)cc1 ZINC000257314009 569397894 /nfs/dbraw/zinc/39/78/94/569397894.db2.gz UVABAUDBKUZFKS-LJQANCHMSA-N -1 3 424.472 4.248 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)Nc1cccc2ccccc21 ZINC000408528783 557293362 /nfs/dbraw/zinc/29/33/62/557293362.db2.gz WKAFDLVOBUCAEJ-UHFFFAOYSA-N -1 3 408.458 4.407 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(=O)c1ccccc1 ZINC000408556409 557452812 /nfs/dbraw/zinc/45/28/12/557452812.db2.gz IGXKOJZDFJTBHO-UHFFFAOYSA-N -1 3 410.495 4.447 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)ccc1OCC ZINC000408585315 557488716 /nfs/dbraw/zinc/48/87/16/557488716.db2.gz DGYCRBPJJPFHFI-UHFFFAOYSA-N -1 3 406.504 4.380 40 0 HIABHM CCO[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)c1ccccc1 ZINC000005463063 557655138 /nfs/dbraw/zinc/65/51/38/557655138.db2.gz VVHGHAFEMYAVGQ-OAHLLOKOSA-N -1 3 408.734 4.312 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1NC(=O)CC ZINC000408698050 557714563 /nfs/dbraw/zinc/71/45/63/557714563.db2.gz NCJIJAIBALBMTA-UHFFFAOYSA-N -1 3 404.532 4.359 40 0 HIABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1OC ZINC000408699378 557716560 /nfs/dbraw/zinc/71/65/60/557716560.db2.gz WMXBFMJFCROFGM-UHFFFAOYSA-N -1 3 403.287 4.151 40 0 HIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000019937667 558312480 /nfs/dbraw/zinc/31/24/80/558312480.db2.gz UCCXWBFLNRFDAC-UHFFFAOYSA-N -1 3 421.928 4.114 40 0 HIABHM O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000022651964 558503994 /nfs/dbraw/zinc/50/39/94/558503994.db2.gz VYVWFIAVCFQOSA-UHFFFAOYSA-N -1 3 402.491 4.247 40 0 HIABHM Cc1ccc(-c2cc(=O)[n-]c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000013611766 558548731 /nfs/dbraw/zinc/54/87/31/558548731.db2.gz JOKGMVRSMHRPLI-UHFFFAOYSA-N -1 3 414.431 4.091 40 0 HIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(Cl)cc1 ZINC000016490424 558794581 /nfs/dbraw/zinc/79/45/81/558794581.db2.gz SEUZWDYUTJGRLU-UHFFFAOYSA-N -1 3 416.886 4.158 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)cc1 ZINC000100799352 558796009 /nfs/dbraw/zinc/79/60/09/558796009.db2.gz CFPAIWKZMJGJHM-HBMCJLEFSA-N -1 3 404.491 4.416 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c(C)c1 ZINC000101041271 558825867 /nfs/dbraw/zinc/82/58/67/558825867.db2.gz KQLJQEYSXFFULJ-VJBWXMMDSA-N -1 3 416.452 4.494 40 0 HIABHM O=c1cc([C@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc(-c2ccncc2)[n-]1 ZINC000019292613 558864414 /nfs/dbraw/zinc/86/44/14/558864414.db2.gz WUTCATSAZACOIB-AWEZNQCLSA-N -1 3 401.297 4.128 40 0 HIABHM O=C(c1cc2ccccc2o1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019376266 558882259 /nfs/dbraw/zinc/88/22/59/558882259.db2.gz XJBLEAHVSQMPJD-UHFFFAOYSA-N -1 3 405.479 4.264 40 0 HIABHM COc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C(C)C)n2)cc1 ZINC000019453482 558890765 /nfs/dbraw/zinc/89/07/65/558890765.db2.gz DIGHLUWQXHAPLO-QFIPXVFZSA-N -1 3 416.525 4.457 40 0 HIABHM CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019532990 558913056 /nfs/dbraw/zinc/91/30/56/558913056.db2.gz LNDHECGLNLGAMY-HXUWFJFHSA-N -1 3 423.538 4.193 40 0 HIABHM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)CCN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000072347321 558944534 /nfs/dbraw/zinc/94/45/34/558944534.db2.gz HEYAEEVNNNSTMZ-ZDUSSCGKSA-N -1 3 407.345 4.014 40 0 HIABHM COCc1ccc(OC)c(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c1 ZINC000019594347 558945323 /nfs/dbraw/zinc/94/53/23/558945323.db2.gz RRWMPVHZJKCRCE-NRFANRHFSA-N -1 3 420.513 4.126 40 0 HIABHM FC(F)(F)c1cccnc1[N-]c1nccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072377622 558966717 /nfs/dbraw/zinc/96/67/17/558966717.db2.gz XCGZJWRACIQXDH-MRXNPFEDSA-N -1 3 414.435 4.409 40 0 HIABHM COc1cncc(-c2ccc3c(c2)C2(CN3C(=O)c3cccc([O-])c3)CCOCC2)c1 ZINC000585105708 559026801 /nfs/dbraw/zinc/02/68/01/559026801.db2.gz FRQKXTJDZALMQW-UHFFFAOYSA-N -1 3 416.477 4.171 40 0 HIABHM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1)c1ccccc1Br ZINC000000837103 559282270 /nfs/dbraw/zinc/28/22/70/559282270.db2.gz IAKICHWUUZLBAP-UHFFFAOYSA-N -1 3 420.266 4.210 40 0 HIABHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1C ZINC000000896661 560543729 /nfs/dbraw/zinc/54/37/29/560543729.db2.gz MIKXAVAWDYWPEP-HUUCEWRRSA-N -1 3 410.543 4.223 40 0 HIABHM O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccccc1[O-] ZINC000000900683 560544256 /nfs/dbraw/zinc/54/42/56/560544256.db2.gz WXJSROZOANSRNF-UHFFFAOYSA-N -1 3 416.506 4.430 40 0 HIABHM CN(C)c1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000409101808 560677270 /nfs/dbraw/zinc/67/72/70/560677270.db2.gz YWEGVLZJIJEHTI-NBQZKYEYSA-N -1 3 411.468 4.278 40 0 HIABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000007323301 560750344 /nfs/dbraw/zinc/75/03/44/560750344.db2.gz IHCZOVMSGUJCAG-UHFFFAOYSA-N -1 3 408.479 4.189 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccccc2)n1)Nc1ccc(Cl)cc1Cl ZINC000014133598 560838738 /nfs/dbraw/zinc/83/87/38/560838738.db2.gz FUFVVMVYPJXVBN-UHFFFAOYSA-N -1 3 409.298 4.421 40 0 HIABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c1 ZINC000005071610 568432312 /nfs/dbraw/zinc/43/23/12/568432312.db2.gz FCFTXJGUUHNPLC-BDTNDASRSA-N -1 3 402.425 4.185 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000101218993 568454678 /nfs/dbraw/zinc/45/46/78/568454678.db2.gz RPNKTIDKSYHAFW-FSSWDIPSSA-N -1 3 402.425 4.185 40 0 HIABHM CC(C)c1ccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000219287756 568488929 /nfs/dbraw/zinc/48/89/29/568488929.db2.gz IEDVLICVFADROV-UHFFFAOYSA-N -1 3 408.951 4.198 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000101220875 568501861 /nfs/dbraw/zinc/50/18/61/568501861.db2.gz QUFAJEFNCKOFAQ-FSSWDIPSSA-N -1 3 420.415 4.324 40 0 HIABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000222998260 568533863 /nfs/dbraw/zinc/53/38/63/568533863.db2.gz JDHMKUWQNBJPBT-CYBMUJFWSA-N -1 3 407.919 4.045 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(C)c3)ccc2C)cc1 ZINC000224056707 568568099 /nfs/dbraw/zinc/56/80/99/568568099.db2.gz CHXKQTPGADMCKV-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc(C)c3)ccc2C)cc1 ZINC000224061793 568568191 /nfs/dbraw/zinc/56/81/91/568568191.db2.gz FDWVAPRDRJGSJV-UHFFFAOYSA-N -1 3 424.522 4.043 40 0 HIABHM COc1cccc2c1OC1(CCN(Cc3ccc(C(=O)[O-])cc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257231983 568785391 /nfs/dbraw/zinc/78/53/91/568785391.db2.gz GIXDVGCVDXVESE-RBBKRZOGSA-N -1 3 423.509 4.288 40 0 HIABHM COc1ccccc1Cc1cnc([C@H]2CCCN(Cc3cccc(C(=O)[O-])c3)C2)o1 ZINC000257252060 568790959 /nfs/dbraw/zinc/79/09/59/568790959.db2.gz JTKAWDGTGAZXHB-FQEVSTJZSA-N -1 3 406.482 4.352 40 0 HIABHM CCOc1cc(-c2cc(-c3cc(Br)c([O-])c(OC)c3)nn2C)ccc1O ZINC000257270637 568795775 /nfs/dbraw/zinc/79/57/75/568795775.db2.gz MVAQQHDVPBVRHL-UHFFFAOYSA-N -1 3 419.275 4.335 40 0 HIABHM Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)[n-]c(=O)n1 ZINC000257319780 568810177 /nfs/dbraw/zinc/81/01/77/568810177.db2.gz VUAGGZSCDTWFBD-GOSISDBHSA-N -1 3 412.877 4.090 40 0 HIABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(C(=O)[C@@H]4CCC(C)=C(C)C4)CC3)n2)n1 ZINC000257331400 568813437 /nfs/dbraw/zinc/81/34/37/568813437.db2.gz XSRSVKZTAYQGKG-HXUWFJFHSA-N -1 3 420.561 4.470 40 0 HIABHM COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(Cl)ccc4[O-])OCC[C@@]31C2 ZINC000257336501 568815012 /nfs/dbraw/zinc/81/50/12/568815012.db2.gz YOSYXINXSHUJJU-NTQHEYMJSA-N -1 3 407.938 4.081 40 0 HIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C)cc1 ZINC000006707081 569334483 /nfs/dbraw/zinc/33/44/83/569334483.db2.gz XOZOSBSUBQPPSZ-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NC1CCCCCC1 ZINC000007361662 569337396 /nfs/dbraw/zinc/33/73/96/569337396.db2.gz CEGZNASJWLEUIT-UHFFFAOYSA-N -1 3 416.543 4.014 40 0 HIABHM Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1[N-]S(C)(=O)=O ZINC000010314774 569343472 /nfs/dbraw/zinc/34/34/72/569343472.db2.gz HMAMQVDIHOHATN-UHFFFAOYSA-N -1 3 410.495 4.198 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(Br)c1 ZINC000020029988 524248709 /nfs/dbraw/zinc/24/87/09/524248709.db2.gz YTETYRSSVQPBPB-JTQLQIEISA-N -1 3 404.713 4.151 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1C ZINC000408553026 557442497 /nfs/dbraw/zinc/44/24/97/557442497.db2.gz UNWMVMWKJKERCN-UHFFFAOYSA-N -1 3 400.544 4.475 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000408601566 557522094 /nfs/dbraw/zinc/52/20/94/557522094.db2.gz BLWOXPXZSPQYHA-AWEZNQCLSA-N -1 3 424.950 4.086 40 0 HIABHM CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N([N-]C(=O)c3csc(C)c3-c3ccccc3)C(=O)[C@@H]21 ZINC000035861272 557645062 /nfs/dbraw/zinc/64/50/62/557645062.db2.gz LLLYMPPEYHTDBV-GQSCTRQFSA-N -1 3 420.534 4.346 40 0 HIABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4C)cc3)ccc21 ZINC000408684742 557698634 /nfs/dbraw/zinc/69/86/34/557698634.db2.gz NXVOTUNMQZMWNV-UHFFFAOYSA-N -1 3 422.506 4.497 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000035393979 557708370 /nfs/dbraw/zinc/70/83/70/557708370.db2.gz JOLIDCUGUQKOOY-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(Br)cc1 ZINC000019937614 558312492 /nfs/dbraw/zinc/31/24/92/558312492.db2.gz HLYHEOYTYHXDFR-UHFFFAOYSA-N -1 3 418.678 4.034 40 0 HIABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)ccc1OC ZINC000020025278 558322622 /nfs/dbraw/zinc/32/26/22/558322622.db2.gz HYOWIZJRYQATIL-UHFFFAOYSA-N -1 3 420.384 4.002 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2Cl)cc1 ZINC000020488856 558377204 /nfs/dbraw/zinc/37/72/04/558377204.db2.gz BYLKPMZHJRRSTD-BXTJHSDWSA-N -1 3 418.946 4.368 40 0 HIABHM Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000013226991 558526638 /nfs/dbraw/zinc/52/66/38/558526638.db2.gz JMYXMSJRJFSVIG-YLJYHZDGSA-N -1 3 402.498 4.062 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)c(Cl)c1Cl ZINC000013647607 558557243 /nfs/dbraw/zinc/55/72/43/558557243.db2.gz BQHSXWKCIWVRFY-UHFFFAOYSA-N -1 3 424.346 4.353 40 0 HIABHM O=C(NC1CCCCCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015613440 558746380 /nfs/dbraw/zinc/74/63/80/558746380.db2.gz LZUZNNLSFFIHKP-UHFFFAOYSA-N -1 3 404.507 4.469 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000100923567 558805629 /nfs/dbraw/zinc/80/56/29/558805629.db2.gz GRRKMZLJNJMNDH-NJYVYQBISA-N -1 3 404.853 4.391 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c(C)c1 ZINC000101061848 558826240 /nfs/dbraw/zinc/82/62/40/558826240.db2.gz BCOGPEAYQAMWRM-NJYVYQBISA-N -1 3 404.491 4.416 40 0 HIABHM CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1OC ZINC000019533855 558913297 /nfs/dbraw/zinc/91/32/97/558913297.db2.gz WSEPJZISWFUDEK-FQEVSTJZSA-N -1 3 420.513 4.379 40 0 HIABHM COCc1ccc(OC)c(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c1 ZINC000019594346 558945429 /nfs/dbraw/zinc/94/54/29/558945429.db2.gz RRWMPVHZJKCRCE-OAQYLSRUSA-N -1 3 420.513 4.126 40 0 HIABHM Cc1onc(C(=O)[N-]c2nc(-c3ccccn3)cs2)c1COc1ccccc1F ZINC000019663939 558954660 /nfs/dbraw/zinc/95/46/60/558954660.db2.gz OTVXNEDFIQGAPD-UHFFFAOYSA-N -1 3 410.430 4.472 40 0 HIABHM CC(C)Oc1cccc(CN2CCC(c3cc(=O)[n-]c(-c4cccnc4)n3)CC2)c1 ZINC000072392813 558972300 /nfs/dbraw/zinc/97/23/00/558972300.db2.gz FHFJHKDWLXTRRR-UHFFFAOYSA-N -1 3 404.514 4.411 40 0 HIABHM Cc1cc(C(=O)[N-]c2nnc([C@H](C)Oc3ccccc3)s2)nc(N2CCCCC2)n1 ZINC000019718861 558982347 /nfs/dbraw/zinc/98/23/47/558982347.db2.gz QGCSDRNNIYWSFE-HNNXBMFYSA-N -1 3 424.530 4.019 40 0 HIABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000101173041 559246565 /nfs/dbraw/zinc/24/65/65/559246565.db2.gz NSWXOHWQFKYLJZ-VABKMULXSA-N -1 3 414.461 4.136 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000101179345 559258411 /nfs/dbraw/zinc/25/84/11/559258411.db2.gz IDJCVRPNKSOUSB-FSSWDIPSSA-N -1 3 402.425 4.185 40 0 HIABHM CCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896790 560543966 /nfs/dbraw/zinc/54/39/66/560543966.db2.gz IXLLDDLUBPUPEF-HNNXBMFYSA-N -1 3 410.543 4.174 40 0 HIABHM Cc1cc(C)c(OCC(=O)N2NC(CCC(C)C)=C[C@]2([O-])C(F)(F)F)c(C)c1 ZINC000408954914 560657303 /nfs/dbraw/zinc/65/73/03/560657303.db2.gz NREFAEUGNGOHSY-IBGZPJMESA-N -1 3 400.441 4.266 40 0 HIABHM COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Cl)c1[O-] ZINC000409051293 560669983 /nfs/dbraw/zinc/66/99/83/560669983.db2.gz BOYSHTUCNLNOGS-YBEGLDIGSA-N -1 3 423.849 4.309 40 0 HIABHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)C)cc2)N1 ZINC000409104696 560675743 /nfs/dbraw/zinc/67/57/43/560675743.db2.gz DZRMUMYIJNEWGG-LJQANCHMSA-N -1 3 400.441 4.392 40 0 HIABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@]2([O-])C(F)(F)F ZINC000409175301 560687054 /nfs/dbraw/zinc/68/70/54/560687054.db2.gz YZUBTEIZCRAFQM-PSGMQZRDSA-N -1 3 412.452 4.248 40 0 HIABHM O=C(CSCc1ccccc1Cl)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000409176334 560687195 /nfs/dbraw/zinc/68/71/95/560687195.db2.gz KUKZGTCEKGPOMF-WBMJQRKESA-N -1 3 406.857 4.213 40 0 HIABHM CCC[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000102723056 560731603 /nfs/dbraw/zinc/73/16/03/560731603.db2.gz PBLBZXKHIMOEEP-RCCFBDPRSA-N -1 3 404.388 4.184 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102729510 560731722 /nfs/dbraw/zinc/73/17/22/560731722.db2.gz ZVNFNZGPNULSLH-VXNXHJTFSA-N -1 3 421.456 4.286 40 0 HIABHM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000006331783 560741950 /nfs/dbraw/zinc/74/19/50/560741950.db2.gz HRBRLKCUSZIJKM-LZWSPWQCSA-N -1 3 414.433 4.418 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)cc1 ZINC000014399308 560842095 /nfs/dbraw/zinc/84/20/95/560842095.db2.gz VBHVTNAWSOFUJS-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccco4)ccc3[O-])nc2c1 ZINC000017087665 560862812 /nfs/dbraw/zinc/86/28/12/560862812.db2.gz FYADSDDORAAUTL-UHFFFAOYSA-N -1 3 407.451 4.483 40 0 HIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000004279648 560894522 /nfs/dbraw/zinc/89/45/22/560894522.db2.gz YIUVGXMAJGCVAH-ZLNRFVROSA-N -1 3 414.461 4.055 40 0 HIABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000409099556 568417618 /nfs/dbraw/zinc/41/76/18/568417618.db2.gz OIGWCWACBRDQLB-UVFQYZLESA-N -1 3 412.452 4.149 40 0 HIABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32C)cc1 ZINC000004899251 568422558 /nfs/dbraw/zinc/42/25/58/568422558.db2.gz GBDLERWZMUYQPR-RQTOMXEWSA-N -1 3 414.461 4.136 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000101220882 568501857 /nfs/dbraw/zinc/50/18/57/568501857.db2.gz QUFAJEFNCKOFAQ-BDTNDASRSA-N -1 3 420.415 4.324 40 0 HIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)c1 ZINC000101234266 568505370 /nfs/dbraw/zinc/50/53/70/568505370.db2.gz RDNUDPXUHZXUGP-ZLNRFVROSA-N -1 3 414.461 4.055 40 0 HIABHM CCn1c2cc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2oc1=O ZINC000223354798 568546263 /nfs/dbraw/zinc/54/62/63/568546263.db2.gz LTBYPQHPKVNXEQ-UHFFFAOYSA-N -1 3 401.271 4.030 40 0 HIABHM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224560713 568585173 /nfs/dbraw/zinc/58/51/73/568585173.db2.gz PMAKMWNXYGTNFJ-OAHLLOKOSA-N -1 3 414.458 4.033 40 0 HIABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224565684 568585503 /nfs/dbraw/zinc/58/55/03/568585503.db2.gz DLALLOXAKIHFHV-UHFFFAOYSA-N -1 3 414.458 4.278 40 0 HIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000028206611 568594770 /nfs/dbraw/zinc/59/47/70/568594770.db2.gz RBILSLKASRNTOK-UHFFFAOYSA-N -1 3 422.506 4.089 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206828 568594967 /nfs/dbraw/zinc/59/49/67/568594967.db2.gz MWPZCSYHAPDFOC-QGZVFWFLSA-N -1 3 406.507 4.387 40 0 HIABHM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1C ZINC000225003939 568608400 /nfs/dbraw/zinc/60/84/00/568608400.db2.gz OLEWQIAOQZFXEA-UHFFFAOYSA-N -1 3 405.516 4.413 40 0 HIABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1C ZINC000225180824 568620735 /nfs/dbraw/zinc/62/07/35/568620735.db2.gz FVINPFFGVSWKPQ-UHFFFAOYSA-N -1 3 406.529 4.070 40 0 HIABHM Cc1cc(C)nc([N-]c2cncc(C3CCN(C(=O)CCC4CCCC4)CC3)n2)n1 ZINC000257204213 568777311 /nfs/dbraw/zinc/77/73/11/568777311.db2.gz ATOHXHQNMQZMBT-UHFFFAOYSA-N -1 3 408.550 4.303 40 0 HIABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCCCCn3ccnc3)ccc1OC2(C)C ZINC000257315851 568808942 /nfs/dbraw/zinc/80/89/42/568808942.db2.gz VCZWZKWFAYZKFB-BHIYHBOVSA-N -1 3 411.546 4.490 40 0 HIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1C ZINC000033446262 569350544 /nfs/dbraw/zinc/35/05/44/569350544.db2.gz LENUHAHMHFMFGU-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000107797659 569353006 /nfs/dbraw/zinc/35/30/06/569353006.db2.gz OBSFIUPXWQMQAI-UHFFFAOYSA-N -1 3 416.886 4.402 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(C)c1 ZINC000108913513 569353629 /nfs/dbraw/zinc/35/36/29/569353629.db2.gz JGTPZWKPOJWXIZ-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000044843652 525350189 /nfs/dbraw/zinc/35/01/89/525350189.db2.gz IJHOOOHGVNMOCA-IBGZPJMESA-N -1 3 424.950 4.237 40 0 HIABHM CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccccc1[O-] ZINC000408598740 557509156 /nfs/dbraw/zinc/50/91/56/557509156.db2.gz AJXKRPCKTOSFKL-UHFFFAOYSA-N -1 3 420.441 4.003 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1Cl ZINC000408597367 557516785 /nfs/dbraw/zinc/51/67/85/557516785.db2.gz VCROHUFFDBPUKY-UHFFFAOYSA-N -1 3 408.676 4.441 40 0 HIABHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)Nc1ccccc1Cl ZINC000035289531 557672408 /nfs/dbraw/zinc/67/24/08/557672408.db2.gz HYWQCDISWGPQEY-UHFFFAOYSA-N -1 3 410.933 4.236 40 0 HIABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408678728 557686954 /nfs/dbraw/zinc/68/69/54/557686954.db2.gz UWSVSATXTDPPKH-OAHLLOKOSA-N -1 3 424.950 4.133 40 0 HIABHM CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000006432841 557702150 /nfs/dbraw/zinc/70/21/50/557702150.db2.gz ZXKIRFDLAIGMEA-UHFFFAOYSA-N -1 3 412.442 4.081 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000408705372 557733581 /nfs/dbraw/zinc/73/35/81/557733581.db2.gz DERJQPXPMJBOOG-UHFFFAOYSA-N -1 3 422.934 4.022 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)OC)cc3c2)cc1C ZINC000020029934 558323985 /nfs/dbraw/zinc/32/39/85/558323985.db2.gz JCVGIFMPKJODIL-UHFFFAOYSA-N -1 3 405.497 4.196 40 0 HIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)cc1 ZINC000020112488 558336227 /nfs/dbraw/zinc/33/62/27/558336227.db2.gz HFUCPWJLLOOEJB-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM CCCn1ncc(CN2CCC(c3cc(=O)[n-]c(-c4ccc(OC)cc4)n3)CC2)c1C ZINC000012242241 558360682 /nfs/dbraw/zinc/36/06/82/558360682.db2.gz LRINAELLBGDULA-UHFFFAOYSA-N -1 3 421.545 4.152 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cc(C)ccc3C)cc2)cc1 ZINC000020456790 558370207 /nfs/dbraw/zinc/37/02/07/558370207.db2.gz FJVYAKUZDZVYFB-UHFFFAOYSA-N -1 3 424.522 4.294 40 0 HIABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)c(Cl)c1 ZINC000020489046 558377139 /nfs/dbraw/zinc/37/71/39/558377139.db2.gz QQUBLIVOYFPQQX-UHFFFAOYSA-N -1 3 406.262 4.251 40 0 HIABHM COc1ccccc1/C=C/CN1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012330116 558385092 /nfs/dbraw/zinc/38/50/92/558385092.db2.gz UQIAXZRLZAPTQX-PDGUBNMISA-N -1 3 402.498 4.146 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000100799302 558796036 /nfs/dbraw/zinc/79/60/36/558796036.db2.gz JCPFPKCJPGQIBH-AQNXPRMDSA-N -1 3 408.841 4.293 40 0 HIABHM O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019014818 558837035 /nfs/dbraw/zinc/83/70/35/558837035.db2.gz RJAQBXNKDSSRSC-UGKGYDQZSA-N -1 3 424.589 4.140 40 0 HIABHM COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019554548 558917521 /nfs/dbraw/zinc/91/75/21/558917521.db2.gz GVXLTZQXENJQMZ-HXUWFJFHSA-N -1 3 423.538 4.193 40 0 HIABHM COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000019559086 558920488 /nfs/dbraw/zinc/92/04/88/558920488.db2.gz LFJGCSVFUWRHDU-IBGZPJMESA-N -1 3 423.900 4.023 40 0 HIABHM CCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000096775039 558935421 /nfs/dbraw/zinc/93/54/21/558935421.db2.gz BGOFGNTZSGJLKH-BZSNNMDCSA-N -1 3 405.281 4.472 40 0 HIABHM CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896744 560543964 /nfs/dbraw/zinc/54/39/64/560543964.db2.gz CNCAAOZAKJJILR-UHFFFAOYSA-N -1 3 410.543 4.365 40 0 HIABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C)c(C)c2)N1 ZINC000408949196 560657066 /nfs/dbraw/zinc/65/70/66/560657066.db2.gz DZDPMIZBQIJWMQ-IBGZPJMESA-N -1 3 400.441 4.492 40 0 HIABHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)c(C)c2)N1 ZINC000408952049 560657420 /nfs/dbraw/zinc/65/74/20/560657420.db2.gz JRNRRBDKUWLAIM-QGZVFWFLSA-N -1 3 406.832 4.447 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC000007361475 560750561 /nfs/dbraw/zinc/75/05/61/560750561.db2.gz WQTBZDWALZWKFN-UHFFFAOYSA-N -1 3 416.543 4.246 40 0 HIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000014037443 560838178 /nfs/dbraw/zinc/83/81/78/560838178.db2.gz VQRFLBYRVKNKES-UHFFFAOYSA-N -1 3 414.458 4.278 40 0 HIABHM O=c1cc(-c2ccccc2Cl)nc(N2CCN(c3ccc(Cl)cc3)CC2)[n-]1 ZINC000014608491 560847471 /nfs/dbraw/zinc/84/74/71/560847471.db2.gz YVTKSLADRNCITL-UHFFFAOYSA-N -1 3 401.297 4.070 40 0 HIABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000219283544 568488856 /nfs/dbraw/zinc/48/88/56/568488856.db2.gz HOKIMJSHLKWXGN-UHFFFAOYSA-N -1 3 408.907 4.285 40 0 HIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c(Cl)c1 ZINC000219285950 568488947 /nfs/dbraw/zinc/48/89/47/568488947.db2.gz GHCCWZBBQREEHI-UHFFFAOYSA-N -1 3 408.907 4.285 40 0 HIABHM Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000219286537 568488987 /nfs/dbraw/zinc/48/89/87/568488987.db2.gz WKWFBGWVZMRLCX-QGZVFWFLSA-N -1 3 422.934 4.052 40 0 HIABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)c1 ZINC000101234272 568505359 /nfs/dbraw/zinc/50/53/59/568505359.db2.gz RDNUDPXUHZXUGP-VJBWXMMDSA-N 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/nfs/dbraw/zinc/33/17/43/569331743.db2.gz KCUIWBLCUXWIIX-UHFFFAOYSA-N -1 3 400.544 4.475 40 0 HIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c1 ZINC000007361729 569337412 /nfs/dbraw/zinc/33/74/12/569337412.db2.gz GOZWIMWHYMOAIM-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019014822 569345223 /nfs/dbraw/zinc/34/52/23/569345223.db2.gz RJAQBXNKDSSRSC-KNQAVFIVSA-N -1 3 424.589 4.140 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1 ZINC000021112708 569349764 /nfs/dbraw/zinc/34/97/64/569349764.db2.gz CCGOPJGNRCBVBR-UHFFFAOYSA-N -1 3 409.298 4.421 40 0 HIABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)c1 ZINC000017837996 569366314 /nfs/dbraw/zinc/36/63/14/569366314.db2.gz LTLGWXSSEIRPKA-ACRUOGEOSA-N -1 3 404.491 4.416 40 0 HIABHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032099980 520888508 /nfs/dbraw/zinc/88/85/08/520888508.db2.gz SIEFXOCLIILBCY-NRFANRHFSA-N 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557682632 /nfs/dbraw/zinc/68/26/32/557682632.db2.gz QGPQPHPAKKGSCJ-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000006405715 557701568 /nfs/dbraw/zinc/70/15/68/557701568.db2.gz GROWUUNAGPISFG-UHFFFAOYSA-N -1 3 414.458 4.278 40 0 HIABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)ccc1OC ZINC000408699441 557716728 /nfs/dbraw/zinc/71/67/28/557716728.db2.gz WWPJSQCHJJYPOG-UHFFFAOYSA-N -1 3 403.287 4.151 40 0 HIABHM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000022532485 558497187 /nfs/dbraw/zinc/49/71/87/558497187.db2.gz QLSXIAWSODLMLA-UHFFFAOYSA-N -1 3 408.479 4.407 40 0 HIABHM Cc1cccc(-c2nc(C3CCN(Cc4cnc(C(C)C)nc4)CC3)cc(=O)[n-]2)c1 ZINC000013227603 558526981 /nfs/dbraw/zinc/52/69/81/558526981.db2.gz OMGISXKFUADWSI-UHFFFAOYSA-N -1 3 403.530 4.451 40 0 HIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000015438980 558740058 /nfs/dbraw/zinc/74/00/58/558740058.db2.gz TWSUXZLEZMGHKJ-UHFFFAOYSA-N -1 3 414.458 4.278 40 0 HIABHM CC(=O)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841737 558753014 /nfs/dbraw/zinc/75/30/14/558753014.db2.gz LCWZRYMUXMMGCE-RBBKRZOGSA-N -1 3 405.494 4.322 40 0 HIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)c1 ZINC000101006965 558824872 /nfs/dbraw/zinc/82/48/72/558824872.db2.gz PJHSNMLQMDNNBY-ZRBLBEILSA-N -1 3 414.461 4.055 40 0 HIABHM Cc1ccc([C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019136258 558846211 /nfs/dbraw/zinc/84/62/11/558846211.db2.gz LUABSFNXDWVGDG-OPAMFIHVSA-N -1 3 414.509 4.484 40 0 HIABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N[C@H]4CCc5ccccc54)n3)CC2=O)c1C ZINC000019235571 558854633 /nfs/dbraw/zinc/85/46/33/558854633.db2.gz RYZGTJALFYFGLN-ICSRJNTNSA-N -1 3 414.509 4.007 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000013807156 558883618 /nfs/dbraw/zinc/88/36/18/558883618.db2.gz QUFAJEFNCKOFAQ-FKBYEOEOSA-N -1 3 420.415 4.324 40 0 HIABHM COc1ccc(Cl)cc1C(=O)N[C@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000019559089 558920494 /nfs/dbraw/zinc/92/04/94/558920494.db2.gz LFJGCSVFUWRHDU-LJQANCHMSA-N -1 3 423.900 4.023 40 0 HIABHM Cc1c2cc(F)ccc2[nH]c1CN1CCC[C@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000072392974 558972764 /nfs/dbraw/zinc/97/27/64/558972764.db2.gz JXHYARFJLCYXHH-KRWDZBQOSA-N -1 3 417.488 4.140 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000102765982 559152588 /nfs/dbraw/zinc/15/25/88/559152588.db2.gz RLIPVQWPVHWTJF-ACRUOGEOSA-N -1 3 424.378 4.155 40 0 HIABHM Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000115093576 559187078 /nfs/dbraw/zinc/18/70/78/559187078.db2.gz ZCELPMGCMJDPKN-UHFFFAOYSA-N -1 3 412.486 4.207 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3)ccc2C)cc1 ZINC000000851592 559289148 /nfs/dbraw/zinc/28/91/48/559289148.db2.gz VVDYPWPKQJDSLG-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM O=C1S/C(=C\c2cc(Br)ccc2[O-])C(=O)N1CCc1ccccc1 ZINC000409008245 560664236 /nfs/dbraw/zinc/66/42/36/560664236.db2.gz XCUDMESOVOWRKL-WJDWOHSUSA-N -1 3 404.285 4.434 40 0 HIABHM Cc1ccccc1OCC(=O)N1NC2=C(C[C@@H](C(C)(C)C)CC2)[C@]1([O-])C(F)(F)F ZINC000409088980 560675054 /nfs/dbraw/zinc/67/50/54/560675054.db2.gz MLMKAWIGKYBYBL-MDOVXXIYSA-N -1 3 412.452 4.285 40 0 HIABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc2ccccc21 ZINC000409145641 560684627 /nfs/dbraw/zinc/68/46/27/560684627.db2.gz OZXXIXPOJYQPAK-UHFFFAOYSA-N -1 3 409.294 4.064 40 0 HIABHM O=C(CSCc1ccccc1Cl)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000409176332 560687199 /nfs/dbraw/zinc/68/71/99/560687199.db2.gz KUKZGTCEKGPOMF-LRDDRELGSA-N -1 3 406.857 4.213 40 0 HIABHM O=C(COc1cc(Cl)ccc1Cl)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000409190251 560689183 /nfs/dbraw/zinc/68/91/83/560689183.db2.gz QRJJJPKQMDEVLS-BMIGLBTASA-N -1 3 411.207 4.012 40 0 HIABHM CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1[O-] ZINC000409412660 560723039 /nfs/dbraw/zinc/72/30/39/560723039.db2.gz ZDBWRRLRSXGTAG-UHFFFAOYSA-N -1 3 402.907 4.363 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)cc1 ZINC000004393319 568418405 /nfs/dbraw/zinc/41/84/05/568418405.db2.gz CFPAIWKZMJGJHM-NJYVYQBISA-N -1 3 404.491 4.416 40 0 HIABHM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc21 ZINC000223052716 568535705 /nfs/dbraw/zinc/53/57/05/568535705.db2.gz RIYKHMAOJIIOFH-UHFFFAOYSA-N -1 3 411.310 4.093 40 0 HIABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223095554 568537447 /nfs/dbraw/zinc/53/74/47/568537447.db2.gz OHVKWXKYWDSHLW-FQEVSTJZSA-N -1 3 420.962 4.471 40 0 HIABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2oc1=O ZINC000223363370 568546575 /nfs/dbraw/zinc/54/65/75/568546575.db2.gz GXOSQYGKOKCGRD-UHFFFAOYSA-N -1 3 421.689 4.375 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000224592054 568586664 /nfs/dbraw/zinc/58/66/64/568586664.db2.gz YIRNABBUHXVXAJ-YADHBBJMSA-N -1 3 413.506 4.150 40 0 HIABHM CCn1c2ccc([N-]S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)cc2sc1=O ZINC000225125310 568615857 /nfs/dbraw/zinc/61/58/57/568615857.db2.gz MBTJOQNGJQVHPB-UHFFFAOYSA-N -1 3 420.556 4.324 40 0 HIABHM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000225675301 568662947 /nfs/dbraw/zinc/66/29/47/568662947.db2.gz YQADPXAFCRXTJR-UHFFFAOYSA-N -1 3 422.837 4.073 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1 ZINC000006235031 569330232 /nfs/dbraw/zinc/33/02/32/569330232.db2.gz SFTHTRUKILVKTA-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019014824 569345193 /nfs/dbraw/zinc/34/51/93/569345193.db2.gz RJAQBXNKDSSRSC-DENIHFKCSA-N -1 3 424.589 4.140 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206982 569350050 /nfs/dbraw/zinc/35/00/50/569350050.db2.gz JIOIDEVKDSFDMI-MRXNPFEDSA-N -1 3 422.506 4.087 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000033635049 569350816 /nfs/dbraw/zinc/35/08/16/569350816.db2.gz YIFLQWVCJCUZRL-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000033764509 569351363 /nfs/dbraw/zinc/35/13/63/569351363.db2.gz HPUITWAACFGKCU-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1NC(=O)c1ccccc1 ZINC000408560021 557457381 /nfs/dbraw/zinc/45/73/81/557457381.db2.gz ZNZJQRHVODCLLI-UHFFFAOYSA-N -1 3 410.495 4.447 40 0 HIABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1Cl ZINC000408582637 557486512 /nfs/dbraw/zinc/48/65/12/557486512.db2.gz DXCJDTGWZKZIDR-UHFFFAOYSA-N -1 3 411.907 4.124 40 0 HIABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408586227 557490379 /nfs/dbraw/zinc/49/03/79/557490379.db2.gz ATYOQNZJHGIJTC-UHFFFAOYSA-N -1 3 424.950 4.134 40 0 HIABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000408590331 557499840 /nfs/dbraw/zinc/49/98/40/557499840.db2.gz GAHCQTFNIMILIN-KRWDZBQOSA-N -1 3 418.559 4.150 40 0 HIABHM COc1ccc([C@@H]2CN(C(=O)c3cc(C)c(C)s3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000012163603 558342252 /nfs/dbraw/zinc/34/22/52/558342252.db2.gz UGLIQMPCFSJJGK-RBUKOAKNSA-N -1 3 423.538 4.201 40 0 HIABHM Cc1ccccc1-c1cc(=O)[n-]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000013611777 558548747 /nfs/dbraw/zinc/54/87/47/558548747.db2.gz TUCAPPRIKPLPCA-UHFFFAOYSA-N -1 3 414.431 4.091 40 0 HIABHM CCOc1ccc2nc(NC(=S)[N-]C(=O)COc3ccccc3Cl)sc2c1 ZINC000016693080 558800481 /nfs/dbraw/zinc/80/04/81/558800481.db2.gz XSOOKYXNDFZIOZ-UHFFFAOYSA-N -1 3 421.931 4.240 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1C ZINC000100901594 558802538 /nfs/dbraw/zinc/80/25/38/558802538.db2.gz QVIBHYIQLLOPTC-VJBWXMMDSA-N -1 3 414.461 4.060 40 0 HIABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N[C@@H](C)c4ccccc4)n3)CC2=O)c1C ZINC000019235563 558854572 /nfs/dbraw/zinc/85/45/72/558854572.db2.gz UJTSGPZFHDYLLA-PKOBYXMFSA-N -1 3 402.498 4.080 40 0 HIABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c1 ZINC000013748462 558863475 /nfs/dbraw/zinc/86/34/75/558863475.db2.gz FCFTXJGUUHNPLC-FKBYEOEOSA-N -1 3 402.425 4.185 40 0 HIABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000013770802 558868073 /nfs/dbraw/zinc/86/80/73/558868073.db2.gz NDIWNNJWRZVTDL-ACRUOGEOSA-N -1 3 419.868 4.095 40 0 HIABHM Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](c2cc(=O)[n-]c(-c3cccs3)n2)C1 ZINC000019577463 558933226 /nfs/dbraw/zinc/93/32/26/558933226.db2.gz XMOFEAGSMVCUAW-KRWDZBQOSA-N -1 3 411.575 4.272 40 0 HIABHM CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c([O-])cc3O)S2)cc1 ZINC000408779816 560640921 /nfs/dbraw/zinc/64/09/21/560640921.db2.gz LGCFPCQDRSBIOB-BHCQIWIZSA-N -1 3 421.316 4.022 40 0 HIABHM Cc1cc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000408956518 560657773 /nfs/dbraw/zinc/65/77/73/560657773.db2.gz QSUWBCYBHAUEGU-SUMWQHHRSA-N -1 3 404.816 4.057 40 0 HIABHM COC(=O)c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409235154 560701008 /nfs/dbraw/zinc/70/10/08/560701008.db2.gz AOXDCMQQKSNYDE-LDADJPATSA-N -1 3 422.824 4.484 40 0 HIABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccccc1)N2 ZINC000409361425 560714823 /nfs/dbraw/zinc/71/48/23/560714823.db2.gz SJSVUNSEJYQYMA-AKCHCHLHSA-N -1 3 412.452 4.367 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)c(C)c2)cc1 ZINC000409386858 560719926 /nfs/dbraw/zinc/71/99/26/560719926.db2.gz NYXUGNRXECWXNW-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000006496008 560744323 /nfs/dbraw/zinc/74/43/23/560744323.db2.gz UJFLDSMPZJDDSA-UHFFFAOYSA-N -1 3 409.298 4.421 40 0 HIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F)c1ccc(F)cc1 ZINC000008810829 560756696 /nfs/dbraw/zinc/75/66/96/560756696.db2.gz SRBNUDYYGFSPES-UHFFFAOYSA-N -1 3 406.385 4.157 40 0 HIABHM Cc1cc(C)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000033491231 560858146 /nfs/dbraw/zinc/85/81/46/560858146.db2.gz QYWGXMDEBIESOM-ZDUSSCGKSA-N -1 3 415.342 4.224 40 0 HIABHM O=C(COc1ccc(Cl)cc1)[N-]C(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016428806 560860429 /nfs/dbraw/zinc/86/04/29/560860429.db2.gz PVKFABSIZYEJES-UHFFFAOYSA-N -1 3 412.323 4.495 40 0 HIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)cc1 ZINC000101204288 560860575 /nfs/dbraw/zinc/86/05/75/560860575.db2.gz FSJBFYBIIHAIFO-VABKMULXSA-N -1 3 414.461 4.055 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccccc1Cl ZINC000021112433 568461846 /nfs/dbraw/zinc/46/18/46/568461846.db2.gz MALVKENMZZTUHE-UHFFFAOYSA-N -1 3 409.298 4.421 40 0 HIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)c1 ZINC000222688814 568523701 /nfs/dbraw/zinc/52/37/01/568523701.db2.gz JADJDAIIGSPNPG-UHFFFAOYSA-N -1 3 424.522 4.146 40 0 HIABHM O=C(N[C@@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223961917 568564675 /nfs/dbraw/zinc/56/46/75/568564675.db2.gz BPMNCXWEBRBMRK-OAQYLSRUSA-N -1 3 424.497 4.434 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2C)cc1 ZINC000224056235 568568128 /nfs/dbraw/zinc/56/81/28/568568128.db2.gz RRRDSGBGQJZSMD-QGZVFWFLSA-N -1 3 424.522 4.295 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000224591851 568586674 /nfs/dbraw/zinc/58/66/74/568586674.db2.gz SJSKEBIZFXXVFE-YADHBBJMSA-N -1 3 413.506 4.150 40 0 HIABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@@H]3C[C@H]21 ZINC000257219481 568781827 /nfs/dbraw/zinc/78/18/27/568781827.db2.gz DGXVDNUYNADEID-GWWHBBDRSA-N -1 3 423.509 4.230 40 0 HIABHM Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)[n-]c(=O)n1 ZINC000257229896 568784962 /nfs/dbraw/zinc/78/49/62/568784962.db2.gz FZXIEEYYLZNKAU-GOSISDBHSA-N -1 3 412.877 4.090 40 0 HIABHM C[C@@]1(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)CN(Cc2ccccc2)C(=O)O1 ZINC000257232708 568785600 /nfs/dbraw/zinc/78/56/00/568785600.db2.gz GMAVASYYDHEYFJ-DEOSSOPVSA-N -1 3 408.498 4.008 40 0 HIABHM CCCCC[C@]1(O)CCN(C(=O)c2ccc([O-])cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257316522 568809286 /nfs/dbraw/zinc/80/92/86/568809286.db2.gz VFYWABQYBQFJRA-GMAHTHKFSA-N -1 3 401.478 4.136 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1 ZINC000021112846 569349721 /nfs/dbraw/zinc/34/97/21/569349721.db2.gz VHYGAWMYODXIMR-UHFFFAOYSA-N -1 3 409.298 4.421 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206980 569350092 /nfs/dbraw/zinc/35/00/92/569350092.db2.gz JIOIDEVKDSFDMI-INIZCTEOSA-N -1 3 422.506 4.087 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000033499315 569350613 /nfs/dbraw/zinc/35/06/13/569350613.db2.gz NIUSJYIHORINQA-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000107659212 569352820 /nfs/dbraw/zinc/35/28/20/569352820.db2.gz YKQVQFWDFBKRHI-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000108256689 569353506 /nfs/dbraw/zinc/35/35/06/569353506.db2.gz LCSLQUSGXUPHMP-SFHVURJKSA-N -1 3 424.522 4.052 40 0 HIABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000009462857 569392849 /nfs/dbraw/zinc/39/28/49/569392849.db2.gz PDRWURHQLPIHQI-HBMCJLEFSA-N -1 3 420.490 4.198 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)c1ccccc1 ZINC000408554031 557450849 /nfs/dbraw/zinc/45/08/49/557450849.db2.gz YJHZRWDUVBOGSH-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(C)=O ZINC000408557558 557454303 /nfs/dbraw/zinc/45/43/03/557454303.db2.gz NUCXACXOTXLRHJ-UHFFFAOYSA-N -1 3 403.287 4.151 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1NC(=O)c1ccccc1C ZINC000408559757 557457180 /nfs/dbraw/zinc/45/71/80/557457180.db2.gz YPEBPIIIXQFQCY-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1)N1CCCCCC1 ZINC000408594744 557512274 /nfs/dbraw/zinc/51/22/74/557512274.db2.gz OYFFUYDJHMTIJO-UHFFFAOYSA-N -1 3 409.458 4.174 40 0 HIABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000408676996 557681990 /nfs/dbraw/zinc/68/19/90/557681990.db2.gz PHOACUAXSDITGM-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c1 ZINC000408677817 557683915 /nfs/dbraw/zinc/68/39/15/557683915.db2.gz RSMKQHDXVQGJPL-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000006142172 557690259 /nfs/dbraw/zinc/69/02/59/557690259.db2.gz ZPZGLGQNLNPWBX-HBMCJLEFSA-N -1 3 420.490 4.198 40 0 HIABHM COc1cccc(C([O-])=C(CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408685669 557699696 /nfs/dbraw/zinc/69/96/96/557699696.db2.gz PTYYFDBXJMZQPE-QHCPKHFHSA-N -1 3 422.502 4.302 40 0 HIABHM CCOc1ccc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1OC ZINC000012275912 558364210 /nfs/dbraw/zinc/36/42/10/558364210.db2.gz RUYDDPCZSDCVQI-UHFFFAOYSA-N -1 3 420.513 4.031 40 0 HIABHM CC(C)CCc1cc(=O)[n-]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022448965 558490192 /nfs/dbraw/zinc/49/01/92/558490192.db2.gz JJPFIASQYNECKJ-UHFFFAOYSA-N -1 3 416.569 4.270 40 0 HIABHM CC(C)Oc1cccc(CCC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000013646563 558556854 /nfs/dbraw/zinc/55/68/54/558556854.db2.gz FDGSXGZUOMCPIJ-UHFFFAOYSA-N -1 3 418.378 4.209 40 0 HIABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000013678119 558565140 /nfs/dbraw/zinc/56/51/40/558565140.db2.gz WIPUZGDYVKZCFI-UHFFFAOYSA-N -1 3 408.690 4.375 40 0 HIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC1CCCCCCC1 ZINC000016490327 558794629 /nfs/dbraw/zinc/79/46/29/558794629.db2.gz CEDXPEMTPQYCQA-UHFFFAOYSA-N -1 3 416.543 4.095 40 0 HIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000100901429 558802464 /nfs/dbraw/zinc/80/24/64/558802464.db2.gz RUFOYNQSJVCYMU-ZRBLBEILSA-N -1 3 414.461 4.006 40 0 HIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000018080692 558830695 /nfs/dbraw/zinc/83/06/95/558830695.db2.gz ZPZGLGQNLNPWBX-HKBOAZHASA-N -1 3 420.490 4.198 40 0 HIABHM Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)c1 ZINC000019234412 558853767 /nfs/dbraw/zinc/85/37/67/558853767.db2.gz OTEIEXNIOOWHHK-JOCHJYFZSA-N -1 3 420.557 4.159 40 0 HIABHM O=c1cc([C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000019292843 558864536 /nfs/dbraw/zinc/86/45/36/558864536.db2.gz OIDYERNPYHYWPE-HNNXBMFYSA-N -1 3 401.297 4.128 40 0 HIABHM O=C(c1ccc2ccccc2n1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019376312 558882354 /nfs/dbraw/zinc/88/23/54/558882354.db2.gz PQBFUTIGHMNVCV-UHFFFAOYSA-N -1 3 416.506 4.066 40 0 HIABHM CC(C)Oc1ccc(-c2csc([N-]C(=O)c3cc(-c4cnn(C)c4)on3)n2)cc1 ZINC000019450736 558889019 /nfs/dbraw/zinc/88/90/19/558889019.db2.gz IBAURNXKABWDDB-UHFFFAOYSA-N -1 3 409.471 4.238 40 0 HIABHM CC(C)c1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2F)cc(=O)[n-]1 ZINC000019453476 558890838 /nfs/dbraw/zinc/89/08/38/558890838.db2.gz PYLQVBXCKCGOJI-FQEVSTJZSA-N -1 3 418.472 4.228 40 0 HIABHM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccccc1Br ZINC000020475511 559009414 /nfs/dbraw/zinc/00/94/14/559009414.db2.gz XQZQGXPHKSEJTN-UHFFFAOYSA-N -1 3 409.074 4.152 40 0 HIABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCCN(Cc4ccc(C(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000585262324 559110764 /nfs/dbraw/zinc/11/07/64/559110764.db2.gz AIEDRPYNWLHYTH-CZAYHTPWSA-N -1 3 423.509 4.372 40 0 HIABHM Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000105848942 559163167 /nfs/dbraw/zinc/16/31/67/559163167.db2.gz OODJSDVIYNBBMD-MRXNPFEDSA-N -1 3 412.486 4.426 40 0 HIABHM CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccccc1[O-] ZINC000409412535 560722873 /nfs/dbraw/zinc/72/28/73/560722873.db2.gz UCVVWPUUMDNWIV-UHFFFAOYSA-N -1 3 400.529 4.123 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)N1CCCCCC1 ZINC000007360833 560750431 /nfs/dbraw/zinc/75/04/31/560750431.db2.gz GCUDPMLUOOPRGM-UHFFFAOYSA-N -1 3 416.543 4.129 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(OC(C)C)c2)c(Cl)c1Cl ZINC000010543815 560770401 /nfs/dbraw/zinc/77/04/01/560770401.db2.gz OOVWKFRKZCHRDV-UHFFFAOYSA-N -1 3 404.315 4.268 40 0 HIABHM Cc1cc(C)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000033491229 560858158 /nfs/dbraw/zinc/85/81/58/560858158.db2.gz QYWGXMDEBIESOM-CYBMUJFWSA-N -1 3 415.342 4.224 40 0 HIABHM CCOC(=O)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)ccc1Cl ZINC000216333541 568464546 /nfs/dbraw/zinc/46/45/46/568464546.db2.gz OFTPZUPPEOFMJM-UHFFFAOYSA-N -1 3 406.262 4.251 40 0 HIABHM COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Br)c1[O-] ZINC000222574031 568518839 /nfs/dbraw/zinc/51/88/39/568518839.db2.gz JTLQOEOWBXLQNN-JQAFLVLXSA-N -1 3 420.332 4.148 40 0 HIABHM Cc1ccc(OCC[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1Cl ZINC000224153348 568571651 /nfs/dbraw/zinc/57/16/51/568571651.db2.gz VYSDJSRYZZANNU-UHFFFAOYSA-N -1 3 408.734 4.454 40 0 HIABHM C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224560762 568585111 /nfs/dbraw/zinc/58/51/11/568585111.db2.gz PMAKMWNXYGTNFJ-HNNXBMFYSA-N -1 3 414.458 4.033 40 0 HIABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2n1Cc1ccccc1 ZINC000225740619 568670214 /nfs/dbraw/zinc/67/02/14/568670214.db2.gz DNLKNEIPHOYEGA-UHFFFAOYSA-N -1 3 414.483 4.051 40 0 HIABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1c1ccccc1 ZINC000033562708 568697279 /nfs/dbraw/zinc/69/72/79/568697279.db2.gz NSINKDGHDQPRSQ-ZROIWOOFSA-N -1 3 423.231 4.238 40 0 HIABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000059133032 568701099 /nfs/dbraw/zinc/70/10/99/568701099.db2.gz NLRRGQAYECGRHY-FRKPEAEDSA-N -1 3 422.506 4.456 40 0 HIABHM Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[n-]c(=O)n1 ZINC000257342456 568816807 /nfs/dbraw/zinc/81/68/07/568816807.db2.gz ZORLXWIDZRRBNN-SFHVURJKSA-N -1 3 412.877 4.090 40 0 HIABHM Cc1nnc(N2C(=O)C([O-])=C(c3nc4ccccc4s3)[C@@H]2c2ccc(O)cc2)s1 ZINC000027332957 569047374 /nfs/dbraw/zinc/04/73/74/569047374.db2.gz SXLCDSQPOLUAGC-INIZCTEOSA-N -1 3 422.491 4.219 40 0 HIABHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000247739011 569315464 /nfs/dbraw/zinc/31/54/64/569315464.db2.gz MTXUEMZXNHEXNI-UHFFFAOYSA-N -1 3 413.812 4.270 40 0 HIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000033371116 569350456 /nfs/dbraw/zinc/35/04/56/569350456.db2.gz XTYZJIFEFHUPAY-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccccc1[O-] ZINC000038166008 569351737 /nfs/dbraw/zinc/35/17/37/569351737.db2.gz HWWPWZRZJHVPNR-UHFFFAOYSA-N -1 3 418.478 4.076 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 ZINC000107815035 569352962 /nfs/dbraw/zinc/35/29/62/569352962.db2.gz DQGZROQFGDNQNU-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408557541 557454253 /nfs/dbraw/zinc/45/42/53/557454253.db2.gz NMVDJPUYVRGUOL-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)OCC)c2)cc1 ZINC000408586349 557492377 /nfs/dbraw/zinc/49/23/77/557492377.db2.gz NSQKCFWDBXRYQF-UHFFFAOYSA-N -1 3 406.504 4.407 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCCC1 ZINC000408592260 557505827 /nfs/dbraw/zinc/50/58/27/557505827.db2.gz JQWJVRIQKQYHGG-UHFFFAOYSA-N -1 3 413.326 4.339 40 0 HIABHM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1C ZINC000408600330 557510449 /nfs/dbraw/zinc/51/04/49/557510449.db2.gz AFNANGIUGTUFDW-UHFFFAOYSA-N -1 3 401.315 4.242 40 0 HIABHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408595190 557512822 /nfs/dbraw/zinc/51/28/22/557512822.db2.gz UFPKTDLBFYKLPM-KRWDZBQOSA-N -1 3 418.559 4.211 40 0 HIABHM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000019936787 558312335 /nfs/dbraw/zinc/31/23/35/558312335.db2.gz DTKUOHFLEWJZKQ-UHFFFAOYSA-N -1 3 420.796 4.087 40 0 HIABHM CSc1ccc([C@@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000019937738 558312759 /nfs/dbraw/zinc/31/27/59/558312759.db2.gz UBQHNRXOWIUVSV-CYBMUJFWSA-N -1 3 413.930 4.232 40 0 HIABHM COc1ccccc1/C=C/CN1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012330111 558385104 /nfs/dbraw/zinc/38/51/04/558385104.db2.gz UQIAXZRLZAPTQX-WWPOYFSUSA-N -1 3 402.498 4.146 40 0 HIABHM CCOc1cccc2c(C)nc(Nc3nc(-c4ccc(Cl)cc4)cc(=O)[n-]3)nc12 ZINC000020633977 558395402 /nfs/dbraw/zinc/39/54/02/558395402.db2.gz MGTMFMWPPHPRHV-UHFFFAOYSA-N -1 3 407.861 4.484 40 0 HIABHM CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000030011910 558725900 /nfs/dbraw/zinc/72/59/00/558725900.db2.gz QGWFFHZTVRHIKC-UHFFFAOYSA-N -1 3 414.458 4.278 40 0 HIABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000101047672 558825890 /nfs/dbraw/zinc/82/58/90/558825890.db2.gz FVYSIYMSOZLWHG-FSSWDIPSSA-N -1 3 402.425 4.185 40 0 HIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CC(C)C)cc1 ZINC000013512189 558835720 /nfs/dbraw/zinc/83/57/20/558835720.db2.gz PVHNACHDIDKRKZ-FKBYEOEOSA-N -1 3 408.498 4.200 40 0 HIABHM Cc1ccc([C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019136254 558846124 /nfs/dbraw/zinc/84/61/24/558846124.db2.gz LUABSFNXDWVGDG-AOMKIAJQSA-N -1 3 414.509 4.484 40 0 HIABHM Cc1ccc([C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019136250 558846155 /nfs/dbraw/zinc/84/61/55/558846155.db2.gz LUABSFNXDWVGDG-ZHRRBRCNSA-N -1 3 414.509 4.484 40 0 HIABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(NCc4ccccc4Cl)n3)CC2=O)c1C ZINC000019235594 558854628 /nfs/dbraw/zinc/85/46/28/558854628.db2.gz OTAITBRXYNRGJQ-QGZVFWFLSA-N -1 3 422.916 4.173 40 0 HIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000013688604 558855096 /nfs/dbraw/zinc/85/50/96/558855096.db2.gz RUFOYNQSJVCYMU-VJBWXMMDSA-N -1 3 414.461 4.006 40 0 HIABHM CCn1cc(-c2cc(C(=O)[N-]c3ncc(Cc4ccc(OC)cc4)s3)on2)c(C)n1 ZINC000019524732 558906087 /nfs/dbraw/zinc/90/60/87/558906087.db2.gz OBUKKUHUYRUMAS-UHFFFAOYSA-N -1 3 423.498 4.175 40 0 HIABHM Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](c2cc(=O)[n-]c(-c3cccs3)n2)C1 ZINC000019577461 558933255 /nfs/dbraw/zinc/93/32/55/558933255.db2.gz XMOFEAGSMVCUAW-QGZVFWFLSA-N -1 3 411.575 4.272 40 0 HIABHM CC(C)n1cc(CN2CCc3c(=O)[n-]c(N4CCCCC4)nc3C2)c2ccccc21 ZINC000072335532 558936562 /nfs/dbraw/zinc/93/65/62/558936562.db2.gz OQQMOVYVAQKWRZ-UHFFFAOYSA-N -1 3 405.546 4.266 40 0 HIABHM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)CCN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000072347320 558944486 /nfs/dbraw/zinc/94/44/86/558944486.db2.gz HEYAEEVNNNSTMZ-CYBMUJFWSA-N -1 3 407.345 4.014 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000102765987 559152611 /nfs/dbraw/zinc/15/26/11/559152611.db2.gz RLIPVQWPVHWTJF-HKBOAZHASA-N -1 3 424.378 4.155 40 0 HIABHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)C)cc2)N1 ZINC000409097487 560675968 /nfs/dbraw/zinc/67/59/68/560675968.db2.gz NXFSIYIVAYYJEW-IBGZPJMESA-N -1 3 400.441 4.248 40 0 HIABHM CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1[O-] ZINC000409412240 560721404 /nfs/dbraw/zinc/72/14/04/560721404.db2.gz AKABTVNZKBAWNJ-UHFFFAOYSA-N -1 3 402.907 4.363 40 0 HIABHM CCCC[C@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102729862 560731685 /nfs/dbraw/zinc/73/16/85/560731685.db2.gz HTHMRCIAPOXXJW-BHDDXSALSA-N -1 3 408.498 4.344 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1NC(=O)c1ccccc1F ZINC000006352442 560741189 /nfs/dbraw/zinc/74/11/89/560741189.db2.gz YDGFMAGGMPXOHM-UHFFFAOYSA-N -1 3 414.458 4.196 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)N1CCCCCC1 ZINC000007360830 560750441 /nfs/dbraw/zinc/75/04/41/560750441.db2.gz ARFBPWJTFQOFIZ-UHFFFAOYSA-N -1 3 416.543 4.129 40 0 HIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F)c1ccccc1F ZINC000008810664 560756427 /nfs/dbraw/zinc/75/64/27/560756427.db2.gz MMJGKCOWBAVOKM-UHFFFAOYSA-N -1 3 406.385 4.157 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000102861414 560852783 /nfs/dbraw/zinc/85/27/83/560852783.db2.gz RVEWCUFWWOMOPX-FHWLQOOXSA-N -1 3 410.882 4.453 40 0 HIABHM Cc1ccc(C([O-])=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000169680923 560854345 /nfs/dbraw/zinc/85/43/45/560854345.db2.gz KVKVUGPPNZNELY-LQWHRVPQSA-N -1 3 420.431 4.222 40 0 HIABHM COc1ccc(-n2[n-]c3[nH]c(C)c(Cc4ccc(C(C)C)cc4)c(=O)c3c2=O)cc1 ZINC000017082665 560862143 /nfs/dbraw/zinc/86/21/43/560862143.db2.gz DJMDTRUERBKSNT-UHFFFAOYSA-N -1 3 403.482 4.038 40 0 HIABHM COc1ccc(-n2nc3[nH]c(C)c(Cc4ccc(C(C)C)cc4)c(=O)c3c2[O-])cc1 ZINC000017082665 560862144 /nfs/dbraw/zinc/86/21/44/560862144.db2.gz DJMDTRUERBKSNT-UHFFFAOYSA-N -1 3 403.482 4.038 40 0 HIABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000004312955 560895830 /nfs/dbraw/zinc/89/58/30/560895830.db2.gz TXGUTMNUCUJRAZ-NJYVYQBISA-N -1 3 419.868 4.095 40 0 HIABHM CCN(C(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000021113088 568461818 /nfs/dbraw/zinc/46/18/18/568461818.db2.gz MFKKBNUHJMILNK-UHFFFAOYSA-N -1 3 402.907 4.182 40 0 HIABHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000223629273 568553979 /nfs/dbraw/zinc/55/39/79/568553979.db2.gz QNXTZQPBFKLQEI-UHFFFAOYSA-N -1 3 419.934 4.307 40 0 HIABHM O=C(N[C@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223961966 568564657 /nfs/dbraw/zinc/56/46/57/568564657.db2.gz BPMNCXWEBRBMRK-NRFANRHFSA-N -1 3 424.497 4.434 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccccc3)ccc2C)cc1 ZINC000224056309 568568066 /nfs/dbraw/zinc/56/80/66/568568066.db2.gz QCMJIEDYTDTXBQ-UHFFFAOYSA-N -1 3 424.522 4.077 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)cc1 ZINC000224569264 568585861 /nfs/dbraw/zinc/58/58/61/568585861.db2.gz CJKHZNQUQUDWTA-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224600523 568587467 /nfs/dbraw/zinc/58/74/67/568587467.db2.gz CJIPCPAYIVABBE-FGZHOGPDSA-N -1 3 422.554 4.029 40 0 HIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1NC(C)=O ZINC000224979985 568607363 /nfs/dbraw/zinc/60/73/63/568607363.db2.gz KVAMPAAAMJKZJN-UHFFFAOYSA-N -1 3 419.572 4.158 40 0 HIABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@H]3C[C@H]21 ZINC000257330649 568813387 /nfs/dbraw/zinc/81/33/87/568813387.db2.gz XPHYDVYVEBAUOZ-IYERYRBDSA-N -1 3 423.509 4.230 40 0 HIABHM CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000065743146 568940053 /nfs/dbraw/zinc/94/00/53/568940053.db2.gz JWFIXKFLBIURBL-UHFFFAOYSA-N -1 3 422.920 4.267 40 0 in-vitro HIABHM CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000065743146 568940055 /nfs/dbraw/zinc/94/00/55/568940055.db2.gz JWFIXKFLBIURBL-UHFFFAOYSA-N -1 3 422.920 4.267 40 0 in-vitro HIABHM O=C1[N-]C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000006971213 569336752 /nfs/dbraw/zinc/33/67/52/569336752.db2.gz WNNAZSHRLHWZDW-LDADJPATSA-N -1 3 408.801 4.136 40 0 HIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000033548001 569350601 /nfs/dbraw/zinc/35/06/01/569350601.db2.gz RMAYFWBWQAITJI-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000033737104 569351199 /nfs/dbraw/zinc/35/11/99/569351199.db2.gz UXSMYVNCCKNFBQ-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM CCC[C@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000018168590 569385308 /nfs/dbraw/zinc/38/53/08/569385308.db2.gz OAEOLBCEEPGHDO-BQFCYCMXSA-N -1 3 405.281 4.472 40 0 HIABHM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000044843657 525175500 /nfs/dbraw/zinc/17/55/00/525175500.db2.gz IJHOOOHGVNMOCA-LJQANCHMSA-N -1 3 424.950 4.237 40 0 HIABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408582640 557486500 /nfs/dbraw/zinc/48/65/00/557486500.db2.gz DYUYTBJNJQVQAO-UHFFFAOYSA-N -1 3 424.950 4.134 40 0 HIABHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035047575 557488661 /nfs/dbraw/zinc/48/86/61/557488661.db2.gz KVKVUGPPNZNELY-DBXWQHBBSA-N -1 3 420.431 4.222 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1OC ZINC000408587961 557491370 /nfs/dbraw/zinc/49/13/70/557491370.db2.gz VFQXTFUPCVNYFL-UHFFFAOYSA-N -1 3 419.286 4.371 40 0 HIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c1C ZINC000408677699 557683761 /nfs/dbraw/zinc/68/37/61/557683761.db2.gz QVEXGAXUBYFJQR-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1cccc(OCC(=O)[N-]C(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 ZINC000006860449 557727265 /nfs/dbraw/zinc/72/72/65/557727265.db2.gz DZSAHJGNPYNLHQ-UHFFFAOYSA-N -1 3 405.932 4.459 40 0 HIABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000007708289 557757007 /nfs/dbraw/zinc/75/70/07/557757007.db2.gz BKVKXFXXWHUGMO-UHFFFAOYSA-N -1 3 408.479 4.407 40 0 HIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl ZINC000022511209 558492961 /nfs/dbraw/zinc/49/29/61/558492961.db2.gz OCYIZTMDBSBQSV-UHFFFAOYSA-N -1 3 414.914 4.231 40 0 HIABHM CCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029326905 558713655 /nfs/dbraw/zinc/71/36/55/558713655.db2.gz MBFZWKSLOSAXDG-UHFFFAOYSA-N -1 3 414.513 4.387 40 0 HIABHM CCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029326905 558713658 /nfs/dbraw/zinc/71/36/58/558713658.db2.gz MBFZWKSLOSAXDG-UHFFFAOYSA-N -1 3 414.513 4.387 40 0 HIABHM O=C(NCc1ccccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015584187 558744930 /nfs/dbraw/zinc/74/49/30/558744930.db2.gz CVZWNEOTQGABAF-UHFFFAOYSA-N -1 3 418.877 4.210 40 0 HIABHM Cc1cc(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)[n-]c(=S)n1 ZINC000016283637 558783478 /nfs/dbraw/zinc/78/34/78/558783478.db2.gz OVPZLHLMBKFMAS-UHFFFAOYSA-N -1 3 410.524 4.186 40 0 HIABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c1 ZINC000101064176 558826107 /nfs/dbraw/zinc/82/61/07/558826107.db2.gz FCFTXJGUUHNPLC-VSKRKVRLSA-N -1 3 402.425 4.185 40 0 HIABHM O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019014820 558837020 /nfs/dbraw/zinc/83/70/20/558837020.db2.gz RJAQBXNKDSSRSC-SIKLNZKXSA-N -1 3 424.589 4.140 40 0 HIABHM Cc1ccc(C2=NO[C@H](CC3(C(=O)[O-])CCN(Cc4ccc(F)cc4)CC3)C2)cc1 ZINC000019208819 558847686 /nfs/dbraw/zinc/84/76/86/558847686.db2.gz ZWMOHHOFYZOACL-NRFANRHFSA-N -1 3 410.489 4.384 40 0 HIABHM COc1cccc2cc(CN[C@@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)oc21 ZINC000019285394 558859831 /nfs/dbraw/zinc/85/98/31/558859831.db2.gz RMTCRXIYRCLZKC-FQEVSTJZSA-N -1 3 407.445 4.046 40 0 HIABHM O=C([O-])C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(Cc2ccc(F)cc2)CC1 ZINC000019333773 558869142 /nfs/dbraw/zinc/86/91/42/558869142.db2.gz SRAWBLBSAUICGU-FQEVSTJZSA-N -1 3 414.452 4.215 40 0 HIABHM O=C(N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019406671 558885057 /nfs/dbraw/zinc/88/50/57/558885057.db2.gz ZMHKMSHVVRWJEJ-UHFFFAOYSA-N -1 3 423.582 4.421 40 0 HIABHM COc1cccc(CN2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c1OC ZINC000019567686 558926675 /nfs/dbraw/zinc/92/66/75/558926675.db2.gz FQGTZUFYDMLHBG-UHFFFAOYSA-N -1 3 411.527 4.308 40 0 HIABHM Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H]1c1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000019579365 558934919 /nfs/dbraw/zinc/93/49/19/558934919.db2.gz AZOBGYBOAOVVNE-LJQANCHMSA-N -1 3 420.513 4.066 40 0 HIABHM CCOc1cc(CN2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)ccc1OC ZINC000072392848 558972323 /nfs/dbraw/zinc/97/23/23/558972323.db2.gz IQHHWQUKEFXRHW-UHFFFAOYSA-N -1 3 420.513 4.031 40 0 HIABHM Cc1cc(C(=O)[N-]c2nnc([C@@H](C)Oc3ccccc3)s2)nc(N2CCCCC2)n1 ZINC000019718860 558982304 /nfs/dbraw/zinc/98/23/04/558982304.db2.gz QGCSDRNNIYWSFE-OAHLLOKOSA-N -1 3 424.530 4.019 40 0 HIABHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccccc1Br ZINC000016129510 559075708 /nfs/dbraw/zinc/07/57/08/559075708.db2.gz LPYLRXLKJRFEFU-UHFFFAOYSA-N -1 3 409.074 4.152 40 0 HIABHM CCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896777 560543934 /nfs/dbraw/zinc/54/39/34/560543934.db2.gz LBKUFUZSFPUZSO-OAHLLOKOSA-N -1 3 410.543 4.317 40 0 HIABHM COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(Br)c1[O-] ZINC000408810332 560644007 /nfs/dbraw/zinc/64/40/07/560644007.db2.gz MABZCGUUGMZEKG-UHFFFAOYSA-N -1 3 424.271 4.065 40 0 HIABHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)C)cc2)N1 ZINC000409097493 560675977 /nfs/dbraw/zinc/67/59/77/560675977.db2.gz NXFSIYIVAYYJEW-LJQANCHMSA-N -1 3 400.441 4.248 40 0 HIABHM COc1ccccc1[C@@H]1CC(=O)c2c[n-]c3nn(-c4ccc(Cl)cc4)c(=O)c-3c2C1 ZINC000013639603 560826188 /nfs/dbraw/zinc/82/61/88/560826188.db2.gz SEBMJOVISLQTTJ-ZDUSSCGKSA-N -1 3 419.868 4.289 40 0 HIABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000013997904 560832086 /nfs/dbraw/zinc/83/20/86/560832086.db2.gz VMPJMMOJJKWSBP-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000102736947 560852671 /nfs/dbraw/zinc/85/26/71/560852671.db2.gz RHXGJHVZAGXKTP-FHWLQOOXSA-N -1 3 410.882 4.453 40 0 HIABHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)CC(C)(C)O2 ZINC000219286428 568489010 /nfs/dbraw/zinc/48/90/10/568489010.db2.gz ZXNJWNVGKLLCFB-KRWDZBQOSA-N -1 3 422.934 4.052 40 0 HIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)c1 ZINC000222695669 568523944 /nfs/dbraw/zinc/52/39/44/568523944.db2.gz KAXJIKATJSSOAY-UHFFFAOYSA-N -1 3 424.522 4.146 40 0 HIABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2oc1=O ZINC000223363553 568546519 /nfs/dbraw/zinc/54/65/19/568546519.db2.gz IQRQBILAZZRCQI-UHFFFAOYSA-N -1 3 421.689 4.375 40 0 HIABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 ZINC000223628327 568554017 /nfs/dbraw/zinc/55/40/17/568554017.db2.gz RSNQKILHECBRTF-UHFFFAOYSA-N -1 3 405.907 4.133 40 0 HIABHM CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000223961475 568564702 /nfs/dbraw/zinc/56/47/02/568564702.db2.gz QEKIGKBBLPEMJJ-UHFFFAOYSA-N -1 3 414.458 4.278 40 0 HIABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(C)=O ZINC000225243326 568625365 /nfs/dbraw/zinc/62/53/65/568625365.db2.gz YOKFFXVFEZGGLU-UHFFFAOYSA-N -1 3 405.328 4.475 40 0 HIABHM O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)N1CCc2ccccc21 ZINC000257241587 568787873 /nfs/dbraw/zinc/78/78/73/568787873.db2.gz HYPZKRYXFNTBTF-QGZVFWFLSA-N -1 3 420.534 4.196 40 0 HIABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCCN(Cc4cccc(C(=O)[O-])c4)[C@H]3C[C@@H]21 ZINC000257295837 568803099 /nfs/dbraw/zinc/80/30/99/568803099.db2.gz RACHLEKDPQNLIU-BLKABHOGSA-N -1 3 423.509 4.372 40 0 HIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000003334093 568882487 /nfs/dbraw/zinc/88/24/87/568882487.db2.gz OIPZGGQKUADAEE-UHFFFAOYSA-N -1 3 410.495 4.067 40 0 HIABHM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1[O-] ZINC000008109173 569339618 /nfs/dbraw/zinc/33/96/18/569339618.db2.gz GYFNQVREHXIMBS-PXNMLYILSA-N -1 3 400.843 4.162 40 0 HIABHM CCc1cccc(C)c1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033773478 569351305 /nfs/dbraw/zinc/35/13/05/569351305.db2.gz QMZPFJIUCNIVTD-LBPRGKRZSA-N -1 3 415.342 4.170 40 0 HIABHM CCc1cccc(C)c1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033773477 569351318 /nfs/dbraw/zinc/35/13/18/569351318.db2.gz QMZPFJIUCNIVTD-GFCCVEGCSA-N -1 3 415.342 4.170 40 0 HIABHM Cc1ccc(-c2nn(-c3ccccc3)cc2CN(CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000072238826 571304267 /nfs/dbraw/zinc/30/42/67/571304267.db2.gz JMYQRAUZDPVJMQ-HSZRJFAPSA-N -1 3 419.525 4.303 40 0 HIABHM Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000008623948 291268523 /nfs/dbraw/zinc/26/85/23/291268523.db2.gz XYBPMFZJVGWZQP-RTBURBONSA-N -1 3 413.568 4.000 40 0 biogenic,in-vitro HIABHM CCn1c(SCC(=O)Nc2ccc(C(F)F)cc2)nnc1-c1ccccc1[O-] ZINC000408542160 557360073 /nfs/dbraw/zinc/36/00/73/557360073.db2.gz HFXSMDVWWLZXSW-UHFFFAOYSA-N -1 3 404.442 4.339 40 0 HIABHM Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408545570 557366936 /nfs/dbraw/zinc/36/69/36/557366936.db2.gz UYKFSLRAMXYECC-UHFFFAOYSA-N -1 3 422.554 4.361 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(C)=O ZINC000408558640 557456008 /nfs/dbraw/zinc/45/60/08/557456008.db2.gz SIFMHPNNULGCKV-UHFFFAOYSA-N -1 3 403.287 4.151 40 0 HIABHM Cc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020461907 558373405 /nfs/dbraw/zinc/37/34/05/558373405.db2.gz ZPAIQAMFWCUCFK-UHFFFAOYSA-N -1 3 414.914 4.379 40 0 HIABHM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020488978 558377108 /nfs/dbraw/zinc/37/71/08/558377108.db2.gz IHYJSEPNIIDIHW-UHFFFAOYSA-N -1 3 414.914 4.379 40 0 HIABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(NCc4ccccc4Cl)n3)CC2=O)c1C ZINC000019235592 558854647 /nfs/dbraw/zinc/85/46/47/558854647.db2.gz OTAITBRXYNRGJQ-KRWDZBQOSA-N -1 3 422.916 4.173 40 0 HIABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373583 558880792 /nfs/dbraw/zinc/88/07/92/558880792.db2.gz UHFBYBKHKCMKBK-UHFFFAOYSA-N -1 3 410.477 4.183 40 0 HIABHM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019565620 558925514 /nfs/dbraw/zinc/92/55/14/558925514.db2.gz TVJVQMWPHODOIM-LJQANCHMSA-N -1 3 423.419 4.125 40 0 HIABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000101173049 559246614 /nfs/dbraw/zinc/24/66/14/559246614.db2.gz NSWXOHWQFKYLJZ-ZRBLBEILSA-N -1 3 414.461 4.136 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000101179351 559258406 /nfs/dbraw/zinc/25/84/06/559258406.db2.gz IDJCVRPNKSOUSB-VSKRKVRLSA-N -1 3 402.425 4.185 40 0 HIABHM Cc1cc(OCC(=O)N2NC(CCC(C)C)=C[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000408957209 560657923 /nfs/dbraw/zinc/65/79/23/560657923.db2.gz STFJOFPKGZBTEQ-KRWDZBQOSA-N -1 3 406.832 4.303 40 0 HIABHM O=C(COc1cc(Cl)ccc1Cl)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000409190252 560689167 /nfs/dbraw/zinc/68/91/67/560689167.db2.gz QRJJJPKQMDEVLS-BONVTDFDSA-N -1 3 411.207 4.012 40 0 HIABHM CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1[O-] ZINC000409411325 560721635 /nfs/dbraw/zinc/72/16/35/560721635.db2.gz GDDKJFRVMQUGOR-UHFFFAOYSA-N -1 3 418.906 4.063 40 0 HIABHM Cc1cc(C)cc(OCC(=O)[N-]C(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000006825701 560747347 /nfs/dbraw/zinc/74/73/47/560747347.db2.gz KEQQIYHTDXAZHJ-UHFFFAOYSA-N -1 3 405.932 4.459 40 0 HIABHM Cc1ccc(OCC(=O)[N-]C(=S)Nc2nc3ccc(Cl)cc3s2)c(C)c1 ZINC000006843956 560747573 /nfs/dbraw/zinc/74/75/73/560747573.db2.gz AGBXFQMECVYHPW-UHFFFAOYSA-N -1 3 405.932 4.459 40 0 HIABHM COc1ccccc1[C@H]1CC(=O)c2c[n-]c3nn(-c4cccc(Cl)c4)c(=O)c-3c2C1 ZINC000013639596 560826102 /nfs/dbraw/zinc/82/61/02/560826102.db2.gz QYMDXQMSMCWZEW-CYBMUJFWSA-N -1 3 419.868 4.289 40 0 HIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000102912293 560852847 /nfs/dbraw/zinc/85/28/47/560852847.db2.gz NBDBZMFKTUEVEG-ACRUOGEOSA-N -1 3 420.490 4.116 40 0 HIABHM O=C(NC(=S)Nc1ncccc1[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017087828 560862966 /nfs/dbraw/zinc/86/29/66/560862966.db2.gz OUAHLLKFCBZGIJ-UHFFFAOYSA-N -1 3 408.266 4.481 40 0 HIABHM O=C(NC(=S)Nc1ncccc1[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017087827 560862968 /nfs/dbraw/zinc/86/29/68/560862968.db2.gz SFSAVQJQJLDEDX-UHFFFAOYSA-N -1 3 408.266 4.481 40 0 HIABHM COC(=O)c1ccc2nc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)sc2c1 ZINC000020412295 560883960 /nfs/dbraw/zinc/88/39/60/560883960.db2.gz SYKCBUUWASVLGF-UHFFFAOYSA-N -1 3 402.300 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ZINC000224558252 568585153 /nfs/dbraw/zinc/58/51/53/568585153.db2.gz YQDFQCDTMZRISO-UHFFFAOYSA-N -1 3 412.486 4.425 40 0 HIABHM Cc1cc(CN(C)C(=O)c2ccc3[n-]c(Cl)nc3c2)c(C)n1C[C@H]1CCCO1 ZINC000225985606 568689997 /nfs/dbraw/zinc/68/99/97/568689997.db2.gz LXSPMRDTSMWKFU-QGZVFWFLSA-N -1 3 400.910 4.086 40 0 HIABHM Cc1cc(CN2CC[C@@H]3O[C@@H]4c5ccccc5OC(C)(C)[C@H]4C[C@H]32)cc(C(=O)[O-])c1O ZINC000257267343 568794697 /nfs/dbraw/zinc/79/46/97/568794697.db2.gz MGWLUBOVOWKSJT-JROBLHLSSA-N -1 3 423.509 4.291 40 0 HIABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccccc1 ZINC000000996067 568929638 /nfs/dbraw/zinc/92/96/38/568929638.db2.gz SFRAHBPHRGCGPH-UHFFFAOYSA-N -1 3 402.479 4.371 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000006706908 569334525 /nfs/dbraw/zinc/33/45/25/569334525.db2.gz GZQLUJILOYXBCH-UHFFFAOYSA-N -1 3 416.886 4.402 40 0 HIABHM CCn1c(SCC(=O)Nc2ccccc2C(F)F)nnc1-c1ccccc1[O-] ZINC000008203065 569339882 /nfs/dbraw/zinc/33/98/82/569339882.db2.gz MREFOXKUIMBXDZ-UHFFFAOYSA-N -1 3 404.442 4.339 40 0 HIABHM Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000010366650 569344221 /nfs/dbraw/zinc/34/42/21/569344221.db2.gz KPCNXPGOCFGDRN-UHFFFAOYSA-N -1 3 417.712 4.035 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1NC(C)=O ZINC000016147502 569345079 /nfs/dbraw/zinc/34/50/79/569345079.db2.gz DVUMYRXDJUGLLO-UHFFFAOYSA-N -1 3 423.705 4.415 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1 ZINC000033651438 569350853 /nfs/dbraw/zinc/35/08/53/569350853.db2.gz LHOIVNAYSQCUBF-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc2ccccc21 ZINC000033707844 569351072 /nfs/dbraw/zinc/35/10/72/569351072.db2.gz VCWMZZHKIUWVED-LBPRGKRZSA-N -1 3 423.321 4.452 40 0 HIABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c1 ZINC000108068706 569353387 /nfs/dbraw/zinc/35/33/87/569353387.db2.gz SEJDJWVOIRIJOA-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CCCC[C@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018046031 569383231 /nfs/dbraw/zinc/38/32/31/569383231.db2.gz HTHMRCIAPOXXJW-BDTNDASRSA-N -1 3 408.498 4.344 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Br)cc1 ZINC000020029979 524252680 /nfs/dbraw/zinc/25/26/80/524252680.db2.gz XZMSOTFZAYBMOM-SNVBAGLBSA-N -1 3 404.713 4.151 40 0 HIABHM Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)ccc1Br ZINC000044880918 525248254 /nfs/dbraw/zinc/24/82/54/525248254.db2.gz IBXFASGAGMKRCF-UHFFFAOYSA-N -1 3 417.712 4.035 40 0 HIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1NC(=O)c1ccccc1 ZINC000408555240 557446798 /nfs/dbraw/zinc/44/67/98/557446798.db2.gz FONZUDDWTDDEIL-UHFFFAOYSA-N -1 3 410.495 4.447 40 0 HIABHM CCCC[N-]C(=S)C(=O)Nc1c(C)cc(Br)cc1Br ZINC000005712701 557670013 /nfs/dbraw/zinc/67/00/13/557670013.db2.gz AEILGUYUADQYML-UHFFFAOYSA-N -1 3 408.159 4.176 40 0 HIABHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000010112384 557855433 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404.853 4.391 40 0 HIABHM O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019368809 558877544 /nfs/dbraw/zinc/87/75/44/558877544.db2.gz CYEZNGQZYQLCSG-QFIPXVFZSA-N -1 3 420.557 4.240 40 0 HIABHM CCOc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019532992 558913071 /nfs/dbraw/zinc/91/30/71/558913071.db2.gz LNDHECGLNLGAMY-FQEVSTJZSA-N -1 3 423.538 4.193 40 0 HIABHM COc1ccc([C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)NC(=O)C2CCCCC2)cc1 ZINC000019553291 558916422 /nfs/dbraw/zinc/91/64/22/558916422.db2.gz WOWIVIWMJHEWEY-OAQYLSRUSA-N -1 3 409.530 4.026 40 0 HIABHM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(C)n1)c1ccc(F)cc1 ZINC000019565623 558925446 /nfs/dbraw/zinc/92/54/46/558925446.db2.gz TVJVQMWPHODOIM-IBGZPJMESA-N -1 3 423.419 4.125 40 0 HIABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000100570593 559136711 /nfs/dbraw/zinc/13/67/11/559136711.db2.gz ZPZGLGQNLNPWBX-NJYVYQBISA-N -1 3 420.490 4.198 40 0 HIABHM CCN1CCO[C@@H](c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c(C)c2)C1 ZINC000140301314 559289469 /nfs/dbraw/zinc/28/94/69/559289469.db2.gz SVIVAENOUMHBBT-JOCHJYFZSA-N -1 3 402.560 4.312 40 0 HIABHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1C ZINC000000896664 560543723 /nfs/dbraw/zinc/54/37/23/560543723.db2.gz MIKXAVAWDYWPEP-GJZGRUSLSA-N -1 3 410.543 4.223 40 0 HIABHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3Cl)c(C)s2)no1 ZINC000006680197 560633745 /nfs/dbraw/zinc/63/37/45/560633745.db2.gz PJXSDJYMXVTWIC-UHFFFAOYSA-N -1 3 411.892 4.059 40 0 HIABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)c(C)c2)N1 ZINC000408952046 560657410 /nfs/dbraw/zinc/65/74/10/560657410.db2.gz JRNRRBDKUWLAIM-KRWDZBQOSA-N -1 3 406.832 4.447 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccccc2)n1)c1ccc(Br)cc1 ZINC000006496018 560744277 /nfs/dbraw/zinc/74/42/77/560744277.db2.gz FNGJSKFSXQNQNG-UHFFFAOYSA-N -1 3 404.289 4.121 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C)cc3)cc2)cc1 ZINC000013977729 560831302 /nfs/dbraw/zinc/83/13/02/560831302.db2.gz JWSPZXKQWBMFPA-FRKPEAEDSA-N -1 3 422.506 4.456 40 0 HIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000016100027 560858312 /nfs/dbraw/zinc/85/83/12/560858312.db2.gz DYLNLSJOTHWEGD-UHFFFAOYSA-N -1 3 421.110 4.021 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c(C)c1 ZINC000005070818 568432169 /nfs/dbraw/zinc/43/21/69/568432169.db2.gz BCOGPEAYQAMWRM-HBMCJLEFSA-N -1 3 404.491 4.416 40 0 HIABHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 ZINC000223628412 568554005 /nfs/dbraw/zinc/55/40/05/568554005.db2.gz FHADGVWLCHEHQJ-UHFFFAOYSA-N -1 3 419.934 4.307 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1N1CCCC1=O ZINC000223668194 568555574 /nfs/dbraw/zinc/55/55/74/568555574.db2.gz SBKBNEKSGLNKSF-UHFFFAOYSA-N -1 3 414.527 4.026 40 0 HIABHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000223836355 568560451 /nfs/dbraw/zinc/56/04/51/568560451.db2.gz ISSAYIFJJOQYTO-UHFFFAOYSA-N -1 3 407.797 4.255 40 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ZINC000223005568 569284220 /nfs/dbraw/zinc/28/42/20/569284220.db2.gz FDFCYQXPFIPLEX-CYBMUJFWSA-N -1 3 424.360 4.376 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000007361733 569337426 /nfs/dbraw/zinc/33/74/26/569337426.db2.gz DWSFWOAHYPCZMK-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccc(C)c4)cc3)ccc21 ZINC000015248422 569344924 /nfs/dbraw/zinc/34/49/24/569344924.db2.gz BLXQBVYCNYOJBL-UHFFFAOYSA-N -1 3 422.506 4.497 40 0 HIABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc21 ZINC000044668065 519564384 /nfs/dbraw/zinc/56/43/84/519564384.db2.gz JGOWKECIORYICY-UHFFFAOYSA-N -1 3 414.527 4.108 40 0 HIABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000032100712 519917222 /nfs/dbraw/zinc/91/72/22/519917222.db2.gz UFNOYWCMVYGKNB-HNNXBMFYSA-N -1 3 413.223 4.402 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408555694 557451570 /nfs/dbraw/zinc/45/15/70/557451570.db2.gz FRDXANWFWAEQEO-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 ZINC000408561702 557460250 /nfs/dbraw/zinc/46/02/50/557460250.db2.gz KIDLTXHHHXVTHY-UHFFFAOYSA-N -1 3 401.532 4.458 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1OCC ZINC000408585075 557488157 /nfs/dbraw/zinc/48/81/57/557488157.db2.gz BYEMPBSXHPPJFJ-UHFFFAOYSA-N -1 3 412.895 4.416 40 0 HIABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1C ZINC000408626598 557559830 /nfs/dbraw/zinc/55/98/30/557559830.db2.gz ZUIJNXVLXQWEGC-UHFFFAOYSA-N -1 3 424.522 4.125 40 0 HIABHM O=C([N-]c1nc(NC(=O)c2cccs2)nc(-c2ccccc2)n1)c1cccs1 ZINC000005775868 557673928 /nfs/dbraw/zinc/67/39/28/557673928.db2.gz HHSUHHUMJFPKAN-UHFFFAOYSA-N -1 3 407.480 4.166 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(C)c1 ZINC000006234996 557695326 /nfs/dbraw/zinc/69/53/26/557695326.db2.gz AUVLEQVJHNSAEG-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000013226992 558526631 /nfs/dbraw/zinc/52/66/31/558526631.db2.gz JMYXMSJRJFSVIG-FXAWDEMLSA-N -1 3 402.498 4.062 40 0 HIABHM Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000013226994 558526700 /nfs/dbraw/zinc/52/67/00/558526700.db2.gz JMYXMSJRJFSVIG-PXNSSMCTSA-N -1 3 402.498 4.062 40 0 HIABHM CCOc1ccccc1CCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000013612911 558548972 /nfs/dbraw/zinc/54/89/72/558548972.db2.gz GOTWLZJYUTZUTA-UHFFFAOYSA-N -1 3 418.342 4.312 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1 ZINC000014000710 558612070 /nfs/dbraw/zinc/61/20/70/558612070.db2.gz UTWGFCTZULGFKT-UHFFFAOYSA-N -1 3 412.467 4.245 40 0 HIABHM CC(=O)[C@@H](CN1CCCCC1)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841738 558752934 /nfs/dbraw/zinc/75/29/34/558752934.db2.gz LCWZRYMUXMMGCE-IRLDBZIGSA-N -1 3 405.494 4.322 40 0 HIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 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HIABHM CSc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409390706 560718703 /nfs/dbraw/zinc/71/87/03/560718703.db2.gz LENLAXHHGPAXFD-JTQLQIEISA-N -1 3 419.355 4.021 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000102732638 560731770 /nfs/dbraw/zinc/73/17/70/560731770.db2.gz XAMWYDMNVIRRQK-VXNXHJTFSA-N -1 3 421.456 4.286 40 0 HIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1F)c1ccccc1F ZINC000008810684 560756518 /nfs/dbraw/zinc/75/65/18/560756518.db2.gz LSRRNXUXIBMXJG-UHFFFAOYSA-N -1 3 424.375 4.296 40 0 HIABHM Cc1ccccc1NC(=N)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[n-]1 ZINC000009264454 560758267 /nfs/dbraw/zinc/75/82/67/560758267.db2.gz KLPXYWULXRHUHH-UHFFFAOYSA-N -1 3 422.539 4.439 40 0 HIABHM CC(C)Oc1ccc(CCC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000010543345 560770223 /nfs/dbraw/zinc/77/02/23/560770223.db2.gz LXJLBAQKTOCAGM-UHFFFAOYSA-N -1 3 418.378 4.209 40 0 HIABHM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000013997928 560832080 /nfs/dbraw/zinc/83/20/80/560832080.db2.gz VJVAWJHZEUDKGT-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM C[C@@]12C(=O)N(c3ccc(F)cc3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004693738 568419181 /nfs/dbraw/zinc/41/91/81/568419181.db2.gz GBTGNQFSCNVAKQ-LGVFNWMJSA-N -1 3 402.425 4.267 40 0 HIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000004898328 568422529 /nfs/dbraw/zinc/42/25/29/568422529.db2.gz AXIORQHCBDQORL-BDTNDASRSA-N -1 3 418.449 4.120 40 0 HIABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223664518 568555517 /nfs/dbraw/zinc/55/55/17/568555517.db2.gz UQJJZDIPKZJYFB-UHFFFAOYSA-N -1 3 409.891 4.031 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]CCOc2ccccc2C(C)C)c(Cl)c1Cl ZINC000223763818 568558402 /nfs/dbraw/zinc/55/84/02/568558402.db2.gz AUULGQHDPQWLKA-UHFFFAOYSA-N -1 3 418.342 4.483 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(F)c3)ccc2C)cc1 ZINC000224059972 568568230 /nfs/dbraw/zinc/56/82/30/568568230.db2.gz ZZVCGJRXGGHKKL-UHFFFAOYSA-N 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Cc1cc(CN2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@@H]32)cc(C(=O)[O-])c1O ZINC000257267344 568794785 /nfs/dbraw/zinc/79/47/85/568794785.db2.gz MGWLUBOVOWKSJT-XZYOPWHXSA-N -1 3 423.509 4.291 40 0 HIABHM O=C(c1cn(CCN2CCOCC2)c2cccc([O-])c12)c1cccc2ccccc21 ZINC000064859574 569390492 /nfs/dbraw/zinc/39/04/92/569390492.db2.gz BZFDQRQHYLPNHW-UHFFFAOYSA-N -1 3 400.478 4.063 40 0 in-vitro HIABHM O=C(NCc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044880727 526674022 /nfs/dbraw/zinc/67/40/22/526674022.db2.gz INLBKNSRULZZSZ-UHFFFAOYSA-N -1 3 418.877 4.210 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408556661 557453287 /nfs/dbraw/zinc/45/32/87/557453287.db2.gz IYMZODPFWUIWPI-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(=O)c1ccccc1C ZINC000408558531 557456017 /nfs/dbraw/zinc/45/60/17/557456017.db2.gz RUNVHNOILLIYBM-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM Cc1cc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)ccc1Br ZINC000020460690 558372899 /nfs/dbraw/zinc/37/28/99/558372899.db2.gz FSCUAQCSVFPAOW-UHFFFAOYSA-N -1 3 417.712 4.035 40 0 HIABHM Cc1ccc([C@H](C)C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)cc1 ZINC000013226986 558526745 /nfs/dbraw/zinc/52/67/45/558526745.db2.gz CGPIDHKPKFWAAC-KRWDZBQOSA-N -1 3 402.498 4.062 40 0 HIABHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)c2ccccc2O1 ZINC000013669237 558560856 /nfs/dbraw/zinc/56/08/56/558560856.db2.gz AJQMQZKGVSMHBU-LLVKDONJSA-N -1 3 402.335 4.091 40 0 HIABHM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000030873225 558743584 /nfs/dbraw/zinc/74/35/84/558743584.db2.gz NXAUQRPZIJQVJO-UHFFFAOYSA-N -1 3 412.486 4.425 40 0 HIABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016162352 558774992 /nfs/dbraw/zinc/77/49/92/558774992.db2.gz FBHZJIONZXNDOK-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc(F)cc1 ZINC000018085226 558830762 /nfs/dbraw/zinc/83/07/62/558830762.db2.gz GUBXSFAEOFVXPN-AWEZNQCLSA-N -1 3 416.449 4.257 40 0 HIABHM CC(C)(C)c1ncc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)cn1 ZINC000019084782 558840987 /nfs/dbraw/zinc/84/09/87/558840987.db2.gz KSHYBIFSJJTIEQ-CQSZACIVSA-N -1 3 423.542 4.018 40 0 HIABHM COc1cccc2cc(CN[C@H](Cc3cc(=O)[n-]c(C)n3)c3ccc(F)cc3)oc21 ZINC000019285395 558859882 /nfs/dbraw/zinc/85/98/82/558859882.db2.gz RMTCRXIYRCLZKC-HXUWFJFHSA-N -1 3 407.445 4.046 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000102727249 559152172 /nfs/dbraw/zinc/15/21/72/559152172.db2.gz YVHMGXOOHASBAF-HKBOAZHASA-N -1 3 420.852 4.097 40 0 HIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000101129716 559172112 /nfs/dbraw/zinc/17/21/12/559172112.db2.gz YDFNFNCLYUEFQC-VJBWXMMDSA-N -1 3 416.452 4.439 40 0 HIABHM CCOc1ccc(NCc2cc(I)c([O-])c(OCC)c2)cc1 ZINC000409117365 560679108 /nfs/dbraw/zinc/67/91/08/560679108.db2.gz XNUJETHQPUAWBP-UHFFFAOYSA-N -1 3 413.255 4.406 40 0 HIABHM CCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102701752 560732060 /nfs/dbraw/zinc/73/20/60/560732060.db2.gz BGOFGNTZSGJLKH-RCCFBDPRSA-N -1 3 405.281 4.472 40 0 HIABHM Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccccc3)c-2c1=O ZINC000103769141 560734679 /nfs/dbraw/zinc/73/46/79/560734679.db2.gz XIQCJYKEDDRRLD-RBBKRZOGSA-N -1 3 415.880 4.431 40 0 HIABHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000169680922 560854337 /nfs/dbraw/zinc/85/43/37/560854337.db2.gz KVKVUGPPNZNELY-OPYAIIAOSA-N -1 3 420.431 4.222 40 0 HIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)cc1 ZINC000101204274 560860353 /nfs/dbraw/zinc/86/03/53/560860353.db2.gz FSJBFYBIIHAIFO-ZLNRFVROSA-N -1 3 414.461 4.055 40 0 HIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 ZINC000017356430 560868964 /nfs/dbraw/zinc/86/89/64/560868964.db2.gz ZLMWPYMIPPJCNA-UHFFFAOYSA-N -1 3 400.544 4.374 40 0 HIABHM Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000005072408 568432318 /nfs/dbraw/zinc/43/23/18/568432318.db2.gz BGMVTEUMGWDEOV-MZYLBHOOSA-N -1 3 416.452 4.494 40 0 HIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)c1 ZINC000005552442 568447103 /nfs/dbraw/zinc/44/71/03/568447103.db2.gz RDNUDPXUHZXUGP-ZRBLBEILSA-N -1 3 414.461 4.055 40 0 HIABHM Cc1ccc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)cc1C ZINC000021112350 568461915 /nfs/dbraw/zinc/46/19/15/568461915.db2.gz KKWGAORPFWYVOS-UHFFFAOYSA-N -1 3 402.907 4.385 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1C ZINC000222681757 568523580 /nfs/dbraw/zinc/52/35/80/568523580.db2.gz QHWRMNQCNJSHKH-UHFFFAOYSA-N -1 3 424.522 4.146 40 0 HIABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000223290311 568544211 /nfs/dbraw/zinc/54/42/11/568544211.db2.gz CVKRGBNLHUTRQW-CXUHLZMHSA-N -1 3 408.479 4.039 40 0 HIABHM CCn1c2cc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2oc1=O ZINC000223354619 568546156 /nfs/dbraw/zinc/54/61/56/568546156.db2.gz FTCQOWCWMAHSAJ-UHFFFAOYSA-N -1 3 401.271 4.030 40 0 HIABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000224397834 568580236 /nfs/dbraw/zinc/58/02/36/568580236.db2.gz PTZFUFGRCMVZHN-UHFFFAOYSA-N -1 3 400.887 4.216 40 0 HIABHM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3)cc2sc1=O ZINC000224939370 568604944 /nfs/dbraw/zinc/60/49/44/568604944.db2.gz LRKAPJFRLAJLMX-UHFFFAOYSA-N -1 3 417.556 4.045 40 0 HIABHM CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)Cc3c(F)cccc3Cl)ccc21 ZINC000225154605 568618512 /nfs/dbraw/zinc/61/85/12/568618512.db2.gz YTDGWYOFJQIEEZ-UHFFFAOYSA-N -1 3 414.911 4.378 40 0 HIABHM CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)c1ccc([O-])cc1)CCO2 ZINC000257271737 568795945 /nfs/dbraw/zinc/79/59/45/568795945.db2.gz MZPPSGOXFCHAIY-FIXSFTCYSA-N -1 3 413.489 4.176 40 0 HIABHM Cc1cc(CCCC(=O)N2CCC[C@@H]2c2cncc([N-]c3ncccn3)n2)ccc1F ZINC000257306177 568806380 /nfs/dbraw/zinc/80/63/80/568806380.db2.gz STFAGTISBURQBP-HXUWFJFHSA-N -1 3 420.492 4.144 40 0 HIABHM CCCCOc1ccc(-c2nc(N)ncc2-c2cc(C(=O)OC)oc2C)c([O-])c1C ZINC000005861766 568978545 /nfs/dbraw/zinc/97/85/45/568978545.db2.gz HHXMTUWKHRSKHX-UHFFFAOYSA-N -1 3 411.458 4.274 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)N1CCCC1 ZINC000007361390 569337286 /nfs/dbraw/zinc/33/72/86/569337286.db2.gz SUPPASCILCIFKP-UHFFFAOYSA-N -1 3 416.543 4.164 40 0 HIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 ZINC000107633533 569352766 /nfs/dbraw/zinc/35/27/66/569352766.db2.gz MIFBTDZIMZETRL-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1 ZINC000108068721 569353346 /nfs/dbraw/zinc/35/33/46/569353346.db2.gz DXVZRMZUASKIGI-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000108219812 569353464 /nfs/dbraw/zinc/35/34/64/569353464.db2.gz VEUJFKQZZCNZAP-UHFFFAOYSA-N -1 3 424.522 4.376 40 0 HIABHM O=C(COc1ccccc1)[N-]C(=S)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032127092 571306559 /nfs/dbraw/zinc/30/65/59/571306559.db2.gz NKDUMMCVJCFZKA-UHFFFAOYSA-N -1 3 412.323 4.495 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1OC ZINC000408585594 557489410 /nfs/dbraw/zinc/48/94/10/557489410.db2.gz GUZNVUCVGODIPJ-UHFFFAOYSA-N -1 3 419.286 4.371 40 0 HIABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000006023960 557684575 /nfs/dbraw/zinc/68/45/75/557684575.db2.gz INOONSYOUWTOBR-UHFFFAOYSA-N -1 3 410.495 4.067 40 0 HIABHM COc1cccc(C([O-])=C(CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408685668 557699723 /nfs/dbraw/zinc/69/97/23/557699723.db2.gz PTYYFDBXJMZQPE-HSZRJFAPSA-N -1 3 422.502 4.302 40 0 HIABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000013980896 558610340 /nfs/dbraw/zinc/61/03/40/558610340.db2.gz UEXZUDSLCFQTIT-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000013997925 558611913 /nfs/dbraw/zinc/61/19/13/558611913.db2.gz JQBFNKKDSQWCBG-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1C ZINC000100901597 558802449 /nfs/dbraw/zinc/80/24/49/558802449.db2.gz QVIBHYIQLLOPTC-ZLNRFVROSA-N -1 3 414.461 4.060 40 0 HIABHM O=C([N-]c1nnc(C(c2ccccc2)c2ccccc2)s1)c1cn2cccnc2n1 ZINC000036752162 558802696 /nfs/dbraw/zinc/80/26/96/558802696.db2.gz RYWBLDNYMPBXAJ-UHFFFAOYSA-N -1 3 412.478 4.013 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000100911077 558803823 /nfs/dbraw/zinc/80/38/23/558803823.db2.gz GLUBGJJHSQFDME-NJYVYQBISA-N -1 3 404.853 4.391 40 0 HIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)c1 ZINC000013810932 558884359 /nfs/dbraw/zinc/88/43/59/558884359.db2.gz RDNUDPXUHZXUGP-VABKMULXSA-N -1 3 414.461 4.055 40 0 HIABHM COc1ccc(CN[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C(C)C)n2)cc1 ZINC000019453484 558890684 /nfs/dbraw/zinc/89/06/84/558890684.db2.gz DIGHLUWQXHAPLO-JOCHJYFZSA-N -1 3 416.525 4.457 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)cc1 ZINC000059133000 558932307 /nfs/dbraw/zinc/93/23/07/558932307.db2.gz IWFXMIZZQIDMTO-KRWDZBQOSA-N -1 3 410.495 4.202 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1 ZINC000100566719 559136639 /nfs/dbraw/zinc/13/66/39/559136639.db2.gz HBUUSADWLVKENE-FHWLQOOXSA-N -1 3 410.882 4.453 40 0 HIABHM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c([O-])cc3O)S2)cc1 ZINC000408779817 560640934 /nfs/dbraw/zinc/64/09/34/560640934.db2.gz LGCFPCQDRSBIOB-CTJNPYBDSA-N -1 3 421.316 4.022 40 0 HIABHM Cc1cc(OCC(=O)N2NC(CCC(C)C)=C[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000408957212 560657938 /nfs/dbraw/zinc/65/79/38/560657938.db2.gz STFJOFPKGZBTEQ-QGZVFWFLSA-N -1 3 406.832 4.303 40 0 HIABHM O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000408957427 560657962 /nfs/dbraw/zinc/65/79/62/560657962.db2.gz UKCYZLJRPNSFRR-MEBBXXQBSA-N -1 3 411.207 4.012 40 0 HIABHM CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c([O-])c(OC)c3)N(C)C2=S)cc1 ZINC000409042506 560669075 /nfs/dbraw/zinc/66/90/75/560669075.db2.gz XXQJVYBHQIMYPH-YBEGLDIGSA-N -1 3 418.902 4.057 40 0 HIABHM CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000409057970 560670696 /nfs/dbraw/zinc/67/06/96/560670696.db2.gz XCXLCROUSZHZQN-VFZGTOFNSA-N -1 3 413.223 4.256 40 0 HIABHM CN(C)c1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000409101805 560677325 /nfs/dbraw/zinc/67/73/25/560677325.db2.gz YWEGVLZJIJEHTI-DKICVRJWSA-N -1 3 411.468 4.278 40 0 HIABHM CCCCCN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000409215388 560696952 /nfs/dbraw/zinc/69/69/52/560696952.db2.gz XSYGKAKAVUXMRN-LCYFTJDESA-N -1 3 417.268 4.223 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000006496014 560744286 /nfs/dbraw/zinc/74/42/86/560744286.db2.gz LJBMKXJXDUSMDW-UHFFFAOYSA-N -1 3 408.405 4.133 40 0 HIABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000004279649 560894516 /nfs/dbraw/zinc/89/45/16/560894516.db2.gz YIUVGXMAJGCVAH-VABKMULXSA-N -1 3 414.461 4.055 40 0 HIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CC(C)C)cc1 ZINC000005025842 568431359 /nfs/dbraw/zinc/43/13/59/568431359.db2.gz PVHNACHDIDKRKZ-FSSWDIPSSA-N -1 3 408.498 4.200 40 0 HIABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2oc1=O ZINC000223363477 568546563 /nfs/dbraw/zinc/54/65/63/568546563.db2.gz UWRUFSSLIJJFCZ-UHFFFAOYSA-N -1 3 421.689 4.375 40 0 HIABHM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224529368 568583751 /nfs/dbraw/zinc/58/37/51/568583751.db2.gz SRZDAUFDUJMRNM-VGOFMYFVSA-N -1 3 414.433 4.418 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206831 568594844 /nfs/dbraw/zinc/59/48/44/568594844.db2.gz MWPZCSYHAPDFOC-KRWDZBQOSA-N -1 3 406.507 4.387 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c(Cl)c1Cl ZINC000225303897 568628912 /nfs/dbraw/zinc/62/89/12/568628912.db2.gz NDYJTKXGABUPPG-UHFFFAOYSA-N -1 3 414.232 4.499 40 0 HIABHM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2sc1=O ZINC000225691733 568664869 /nfs/dbraw/zinc/66/48/69/568664869.db2.gz JWLGJPIMISXLFL-UHFFFAOYSA-N -1 3 403.312 4.191 40 0 HIABHM COc1cccc2c1OC1(CCN(Cc3cccc(C(=O)[O-])c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257341652 568816719 /nfs/dbraw/zinc/81/67/19/568816719.db2.gz ZLHNANKNLJGYKO-RBBKRZOGSA-N -1 3 423.509 4.288 40 0 HIABHM Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[n-]c(=O)n1 ZINC000257342455 568816903 /nfs/dbraw/zinc/81/69/03/568816903.db2.gz ZORLXWIDZRRBNN-GOSISDBHSA-N -1 3 412.877 4.090 40 0 HIABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000007362159 569337454 /nfs/dbraw/zinc/33/74/54/569337454.db2.gz NTQVKZJXZGJNHK-GOSISDBHSA-N -1 3 418.559 4.096 40 0 HIABHM O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019014831 569345208 /nfs/dbraw/zinc/34/52/08/569345208.db2.gz RKILYBBUVGMIPN-GCJKJVERSA-N -1 3 424.589 4.140 40 0 HIABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000107675480 569352785 /nfs/dbraw/zinc/35/27/85/569352785.db2.gz LEFZXKJIVNEVKW-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000108256693 569353656 /nfs/dbraw/zinc/35/36/56/569353656.db2.gz LCSLQUSGXUPHMP-GOSISDBHSA-N -1 3 424.522 4.052 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)c1ccccc1 ZINC000408553027 557442441 /nfs/dbraw/zinc/44/24/41/557442441.db2.gz UOSGOSVXJFWASX-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM Cc1ccc(C([O-])=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035047573 557488702 /nfs/dbraw/zinc/48/87/02/557488702.db2.gz KVKVUGPPNZNELY-LVCYWYKZSA-N -1 3 420.431 4.222 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1OCC ZINC000408585850 557489729 /nfs/dbraw/zinc/48/97/29/557489729.db2.gz JYOOJMXAHMXUCE-UHFFFAOYSA-N -1 3 412.895 4.416 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)NC(C)C ZINC000408597701 557507919 /nfs/dbraw/zinc/50/79/19/557507919.db2.gz VYFNACYIODVGRY-UHFFFAOYSA-N -1 3 401.315 4.241 40 0 HIABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)ccc1C ZINC000408618212 557535035 /nfs/dbraw/zinc/53/50/35/557535035.db2.gz DMRZFZRGNNIWIB-UHFFFAOYSA-N -1 3 420.840 4.218 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000035844270 557642757 /nfs/dbraw/zinc/64/27/57/557642757.db2.gz QUFAJEFNCKOFAQ-VSKRKVRLSA-N -1 3 420.415 4.324 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c(C)c1 ZINC000408679358 557686073 /nfs/dbraw/zinc/68/60/73/557686073.db2.gz WDYFDZHLOKHRGK-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1C ZINC000408680394 557686504 /nfs/dbraw/zinc/68/65/04/557686504.db2.gz YOPNQHASHLYIDU-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000022001266 558457255 /nfs/dbraw/zinc/45/72/55/558457255.db2.gz FHLWOMHEZIMJJW-UHFFFAOYSA-N -1 3 422.920 4.267 40 0 HIABHM CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000022001266 558457258 /nfs/dbraw/zinc/45/72/58/558457258.db2.gz FHLWOMHEZIMJJW-UHFFFAOYSA-N -1 3 422.920 4.267 40 0 HIABHM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000013980897 558610416 /nfs/dbraw/zinc/61/04/16/558610416.db2.gz ZBPHGFXUXODVSX-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014061075 558616039 /nfs/dbraw/zinc/61/60/39/558616039.db2.gz ZQMVZBJYIPHMQM-MRXNPFEDSA-N -1 3 412.486 4.426 40 0 HIABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000030850892 558739986 /nfs/dbraw/zinc/73/99/86/558739986.db2.gz FIMLZTWJXUHUIC-UHFFFAOYSA-N -1 3 407.797 4.087 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c(C)c1 ZINC000101061843 558826256 /nfs/dbraw/zinc/82/62/56/558826256.db2.gz BCOGPEAYQAMWRM-HKBOAZHASA-N -1 3 404.491 4.416 40 0 HIABHM O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCC1)C2 ZINC000019014688 558836746 /nfs/dbraw/zinc/83/67/46/558836746.db2.gz LKPXNJAJTBWRRF-OAQYLSRUSA-N -1 3 412.578 4.117 40 0 HIABHM O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(CC1CCCCC1)C2 ZINC000019014828 558836967 /nfs/dbraw/zinc/83/69/67/558836967.db2.gz RKILYBBUVGMIPN-PGRDOPGGSA-N -1 3 424.589 4.140 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000013787531 558873052 /nfs/dbraw/zinc/87/30/52/558873052.db2.gz IDJCVRPNKSOUSB-FKBYEOEOSA-N -1 3 402.425 4.185 40 0 HIABHM O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019368811 558877469 /nfs/dbraw/zinc/87/74/69/558877469.db2.gz CYEZNGQZYQLCSG-JOCHJYFZSA-N -1 3 420.557 4.240 40 0 HIABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCCN(Cc4ccc(C(=O)[O-])cc4)[C@H]3C[C@@H]21 ZINC000585262323 559110743 /nfs/dbraw/zinc/11/07/43/559110743.db2.gz AIEDRPYNWLHYTH-BLKABHOGSA-N -1 3 423.509 4.372 40 0 HIABHM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)[O-])[C@H]3C[C@H]21 ZINC000585262356 559110863 /nfs/dbraw/zinc/11/08/63/559110863.db2.gz XUUVBVOTVFVKHI-PDXXHEQOSA-N -1 3 423.509 4.042 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000102765742 559152565 /nfs/dbraw/zinc/15/25/65/559152565.db2.gz UABRJPJIQRLWQC-ACRUOGEOSA-N -1 3 406.388 4.016 40 0 HIABHM COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)S1 ZINC000408811636 560644052 /nfs/dbraw/zinc/64/40/52/560644052.db2.gz VZOQNCPQUPNNTR-UHFFFAOYSA-N -1 3 405.883 4.134 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccccc2)n1)Nc1cccc(Cl)c1Cl ZINC000006496016 560744293 /nfs/dbraw/zinc/74/42/93/560744293.db2.gz JKENKLGEVVFCTE-UHFFFAOYSA-N -1 3 409.298 4.421 40 0 HIABHM COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000106766851 560746239 /nfs/dbraw/zinc/74/62/39/560746239.db2.gz MWMLBIIOMMSAET-WJDWOHSUSA-N -1 3 405.859 4.170 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(C)c1 ZINC000005024502 568431401 /nfs/dbraw/zinc/43/14/01/568431401.db2.gz LKAMQFQKVLEIFI-ZRBLBEILSA-N -1 3 414.461 4.060 40 0 HIABHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000222967359 568532536 /nfs/dbraw/zinc/53/25/36/568532536.db2.gz DWVJDHUIUFAMQI-ZDUSSCGKSA-N -1 3 406.935 4.081 40 0 HIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000222995712 568533760 /nfs/dbraw/zinc/53/37/60/568533760.db2.gz GUZIMRALDGUESZ-UHFFFAOYSA-N -1 3 418.740 4.022 40 0 HIABHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000223271107 568543518 /nfs/dbraw/zinc/54/35/18/568543518.db2.gz QSPDDEWTYDKKRV-UHFFFAOYSA-N -1 3 406.813 4.142 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1C(C)C ZINC000223654584 568555192 /nfs/dbraw/zinc/55/51/92/568555192.db2.gz FQDOSQCRAJZNBL-UHFFFAOYSA-N -1 3 402.516 4.055 40 0 HIABHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc2O1 ZINC000223664140 568555487 /nfs/dbraw/zinc/55/54/87/568555487.db2.gz UDWWHZVXUWAVOS-UHFFFAOYSA-N -1 3 414.296 4.493 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(C)cc3)ccc2C)cc1 ZINC000224056774 568568030 /nfs/dbraw/zinc/56/80/30/568568030.db2.gz WHRDXDVOCWIEDM-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000224591945 568586695 /nfs/dbraw/zinc/58/66/95/568586695.db2.gz SJSKEBIZFXXVFE-FGZHOGPDSA-N -1 3 413.506 4.150 40 0 HIABHM COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224600574 568587410 /nfs/dbraw/zinc/58/74/10/568587410.db2.gz CJIPCPAYIVABBE-YADHBBJMSA-N -1 3 422.554 4.029 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000006553289 569333418 /nfs/dbraw/zinc/33/34/18/569333418.db2.gz MDLMYEYKQIPEJP-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000006928253 569335252 /nfs/dbraw/zinc/33/52/52/569335252.db2.gz UDWWYAPRQWIKAK-UHFFFAOYSA-N -1 3 416.886 4.402 40 0 HIABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2N1C(=O)c1ccccc1 ZINC000028206883 569350041 /nfs/dbraw/zinc/35/00/41/569350041.db2.gz IYCSAYFQZAHGSC-OAHLLOKOSA-N -1 3 410.470 4.218 40 0 HIABHM O=C(NCC1CCC(c2ccnc([N-]c3cnccn3)n2)CC1)c1ccc(Cl)cc1 ZINC000072377550 569352530 /nfs/dbraw/zinc/35/25/30/569352530.db2.gz MIGLVJFWEHXHIV-UHFFFAOYSA-N -1 3 422.920 4.367 40 0 HIABHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000108038049 569353330 /nfs/dbraw/zinc/35/33/30/569353330.db2.gz HMJRDXYRLIZYMB-SNVBAGLBSA-N -1 3 421.733 4.261 40 0 HIABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000013115708 569409420 /nfs/dbraw/zinc/40/94/20/569409420.db2.gz TXGUTMNUCUJRAZ-HKBOAZHASA-N -1 3 419.868 4.095 40 0 HIABHM CC(=O)O[C@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc([O-])cc3)CC(C)=CC[C@@]12C ZINC000031157378 291261125 /nfs/dbraw/zinc/26/11/25/291261125.db2.gz CHQMIQBQLGDCJJ-AAGTZVQDSA-N -1 3 416.514 4.003 40 0 biogenic,in-vitro HIABHM CC1(C)Oc2[n-]c(=O)n(-c3ccc(Cl)cc3)c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000001706609 557281962 /nfs/dbraw/zinc/28/19/62/557281962.db2.gz XOJYJWCPEGKOMJ-MRXNPFEDSA-N -1 3 403.265 4.136 40 0 HIABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408584285 557484625 /nfs/dbraw/zinc/48/46/25/557484625.db2.gz NUWSSSKIOMBMMO-HNNXBMFYSA-N -1 3 424.950 4.133 40 0 HIABHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408595194 557512881 /nfs/dbraw/zinc/51/28/81/557512881.db2.gz UFPKTDLBFYKLPM-QGZVFWFLSA-N -1 3 418.559 4.211 40 0 HIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408596461 557514440 /nfs/dbraw/zinc/51/44/40/557514440.db2.gz WFJOBKFOEOVVQH-KRWDZBQOSA-N -1 3 418.559 4.122 40 0 HIABHM COc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1[O-] ZINC000408604776 557527369 /nfs/dbraw/zinc/52/73/69/557527369.db2.gz FCJLAJCSXIYSKW-UHFFFAOYSA-N -1 3 407.610 4.410 40 0 HIABHM CCO[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)c1ccccc1 ZINC000005463000 557655055 /nfs/dbraw/zinc/65/50/55/557655055.db2.gz VVHGHAFEMYAVGQ-HNNXBMFYSA-N -1 3 408.734 4.312 40 0 HIABHM COc1ccc(C([O-])=C(CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408681287 557687005 /nfs/dbraw/zinc/68/70/05/557687005.db2.gz HOCOSGKQSBUQAS-QHCPKHFHSA-N -1 3 422.502 4.302 40 0 HIABHM COc1cccc(C(=O)CC(=C([O-])c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408687135 557702894 /nfs/dbraw/zinc/70/28/94/557702894.db2.gz SXHKUVQCFYVOBH-HSZRJFAPSA-N -1 3 422.502 4.302 40 0 HIABHM Cc1cccc(NC(=N)Nc2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)c1 ZINC000010156503 557856026 /nfs/dbraw/zinc/85/60/26/557856026.db2.gz OPIGAGDBIGCMDX-UHFFFAOYSA-N -1 3 422.539 4.439 40 0 HIABHM CCOc1ccc2nc(Nc3nc(-c4ccccc4Cl)cc(=O)[n-]3)nc(C)c2c1 ZINC000010157424 557856456 /nfs/dbraw/zinc/85/64/56/557856456.db2.gz WKWNOXQZMUKCFT-UHFFFAOYSA-N -1 3 407.861 4.484 40 0 HIABHM CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(Cl)cc3Cl)cc2oc1=O ZINC000019936778 558312248 /nfs/dbraw/zinc/31/22/48/558312248.db2.gz QEOZXPNMRVTHKV-UHFFFAOYSA-N -1 3 421.689 4.375 40 0 HIABHM C[C@@H](NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000019937724 558312733 /nfs/dbraw/zinc/31/27/33/558312733.db2.gz PROPBYHNHQKANO-GFCCVEGCSA-N -1 3 402.281 4.164 40 0 HIABHM CSc1ccc([C@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000019937739 558312772 /nfs/dbraw/zinc/31/27/72/558312772.db2.gz UBQHNRXOWIUVSV-ZDUSSCGKSA-N -1 3 413.930 4.232 40 0 HIABHM O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015564116 558744014 /nfs/dbraw/zinc/74/40/14/558744014.db2.gz ZSXUIQUTCUORRM-UHFFFAOYSA-N -1 3 406.385 4.157 40 0 HIABHM O=C(NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015584967 558744856 /nfs/dbraw/zinc/74/48/56/558744856.db2.gz FMLCDJFPIKFHHZ-UHFFFAOYSA-N -1 3 418.877 4.210 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100911086 558803923 /nfs/dbraw/zinc/80/39/23/558803923.db2.gz GLUBGJJHSQFDME-ACRUOGEOSA-N -1 3 404.853 4.391 40 0 HIABHM Cc1ccc([C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019135813 558846065 /nfs/dbraw/zinc/84/60/65/558846065.db2.gz GKQIGNIKNZNBNN-OAHLLOKOSA-N -1 3 408.527 4.124 40 0 HIABHM O=C(Cc1cccc(Cl)c1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019293355 558865023 /nfs/dbraw/zinc/86/50/23/558865023.db2.gz XILPEVSHCZOLMF-UHFFFAOYSA-N -1 3 413.930 4.101 40 0 HIABHM CC(C)c1nc(C[C@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc(=O)[n-]1 ZINC000019453556 558891060 /nfs/dbraw/zinc/89/10/60/558891060.db2.gz JMMVUWQQDORFBW-QFIPXVFZSA-N -1 3 414.509 4.017 40 0 HIABHM COCc1ccc(OC)c(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000019594349 558945305 /nfs/dbraw/zinc/94/53/05/558945305.db2.gz HJAFXYCGBLSMTF-NRFANRHFSA-N -1 3 420.513 4.126 40 0 HIABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000101166044 559215314 /nfs/dbraw/zinc/21/53/14/559215314.db2.gz ILPVRDSCXQFLTK-FSSWDIPSSA-N -1 3 402.425 4.185 40 0 HIABHM Cc1cc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000408956517 560657880 /nfs/dbraw/zinc/65/78/80/560657880.db2.gz QSUWBCYBHAUEGU-GUYCJALGSA-N -1 3 404.816 4.057 40 0 HIABHM O=C1[N-]C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1ccccc1 ZINC000409017459 560665920 /nfs/dbraw/zinc/66/59/20/560665920.db2.gz WUBOVYZFUPEOSK-SFQUDFHCSA-N -1 3 402.435 4.404 40 0 HIABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409171955 560686614 /nfs/dbraw/zinc/68/66/14/560686614.db2.gz FMCSRVAQGAYJFB-BTJLNZGRSA-N -1 3 420.884 4.459 40 0 HIABHM CSc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409390709 560718688 /nfs/dbraw/zinc/71/86/88/560718688.db2.gz LENLAXHHGPAXFD-SNVBAGLBSA-N -1 3 419.355 4.021 40 0 HIABHM Cc1ccccc1CSCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008571145 560731848 /nfs/dbraw/zinc/73/18/48/560731848.db2.gz NDVPRIIDVCSMIA-UHFFFAOYSA-N -1 3 406.392 4.031 40 0 HIABHM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2oc1=O ZINC000223354719 568546269 /nfs/dbraw/zinc/54/62/69/568546269.db2.gz QDQNVRCDNHLKTB-UHFFFAOYSA-N -1 3 401.271 4.030 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000223376237 568546966 /nfs/dbraw/zinc/54/69/66/568546966.db2.gz QXDCHCHEDSCDLS-UHFFFAOYSA-N -1 3 422.506 4.007 40 0 HIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)c(C)cc1C ZINC000223501340 568550434 /nfs/dbraw/zinc/55/04/34/568550434.db2.gz KBBFZIBUBAGWBZ-AWEZNQCLSA-N -1 3 412.349 4.422 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC3CCCCCC3)ccc2C)cc1 ZINC000224060114 568568141 /nfs/dbraw/zinc/56/81/41/568568141.db2.gz LTMPCFWYCXXJOU-UHFFFAOYSA-N -1 3 416.543 4.257 40 0 HIABHM CCCc1ccc(OCC[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000224215010 568574031 /nfs/dbraw/zinc/57/40/31/568574031.db2.gz FBUBJKOPBKWUSW-UHFFFAOYSA-N -1 3 402.343 4.444 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000224598366 568587098 /nfs/dbraw/zinc/58/70/98/568587098.db2.gz LGLYRECRLLXDFE-FGZHOGPDSA-N -1 3 416.506 4.407 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000224598319 568587185 /nfs/dbraw/zinc/58/71/85/568587185.db2.gz LGLYRECRLLXDFE-FCHUYYIVSA-N -1 3 416.506 4.407 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCc1ccccc1Cl ZINC000225303513 568628968 /nfs/dbraw/zinc/62/89/68/568628968.db2.gz LWTWQQIWAFXKEW-UHFFFAOYSA-N -1 3 406.356 4.214 40 0 HIABHM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(C)=O ZINC000225610624 568656800 /nfs/dbraw/zinc/65/68/00/568656800.db2.gz WCGFCUCHNDYALO-UHFFFAOYSA-N -1 3 405.328 4.475 40 0 HIABHM COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3Cc3ccc(C(=O)[O-])cc3)O[C@H]21 ZINC000257230537 568784922 /nfs/dbraw/zinc/78/49/22/568784922.db2.gz GCTMNRVZFFGHRA-CUXKYVRBSA-N -1 3 423.509 4.285 40 0 HIABHM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000010328144 569343734 /nfs/dbraw/zinc/34/37/34/569343734.db2.gz ZAFVFPRNWFSGDA-UHFFFAOYSA-N -1 3 406.813 4.291 40 0 HIABHM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000010338599 569344014 /nfs/dbraw/zinc/34/40/14/569344014.db2.gz CUGJCTDLZQOBKV-UHFFFAOYSA-N -1 3 418.877 4.461 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)N1CCCc2ccccc21 ZINC000021112689 569349734 /nfs/dbraw/zinc/34/97/34/569349734.db2.gz WBXAWKCXBXKQNQ-UHFFFAOYSA-N -1 3 414.918 4.109 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000033668236 569350979 /nfs/dbraw/zinc/35/09/79/569350979.db2.gz YLKXRRZZFWVXPH-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1C ZINC000109041117 569353706 /nfs/dbraw/zinc/35/37/06/569353706.db2.gz IYSMIBDOCVDFSS-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1nc([N-]c2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)sc1C ZINC000585291664 571309913 /nfs/dbraw/zinc/30/99/13/571309913.db2.gz DYDPOZZCNJCCHA-GNISGLHKSA-N -1 3 419.554 4.713 40 0 HIABHM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000015673912 291268552 /nfs/dbraw/zinc/26/85/52/291268552.db2.gz HVMVZINNZHCXQS-NVXWUHKLSA-N -1 3 417.531 4.080 40 0 biogenic,in-vitro HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2Cl)cc1 ZINC000044904691 525596389 /nfs/dbraw/zinc/59/63/89/525596389.db2.gz UUJJTCGBKNWOGU-OAHLLOKOSA-N -1 3 406.935 4.321 40 0 HIABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000408590332 557499792 /nfs/dbraw/zinc/49/97/92/557499792.db2.gz GAHCQTFNIMILIN-QGZVFWFLSA-N -1 3 418.559 4.150 40 0 HIABHM CC1(C)Oc2[n-]c(=O)n(-c3ccc(Cl)cc3)c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000005012698 557625417 /nfs/dbraw/zinc/62/54/17/557625417.db2.gz XOJYJWCPEGKOMJ-INIZCTEOSA-N -1 3 403.265 4.136 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(C)c2)cc1C ZINC000408675247 557676280 /nfs/dbraw/zinc/67/62/80/557676280.db2.gz TZBLEEXZBBDGSC-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)NC(C)C ZINC000010009034 557853323 /nfs/dbraw/zinc/85/33/23/557853323.db2.gz REONXYCOKTZRNA-UHFFFAOYSA-N -1 3 404.532 4.066 40 0 HIABHM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000020456314 558369638 /nfs/dbraw/zinc/36/96/38/558369638.db2.gz YNOOAAIROZLCNN-IBGZPJMESA-N -1 3 424.950 4.237 40 0 HIABHM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000022512991 558493357 /nfs/dbraw/zinc/49/33/57/558493357.db2.gz AGYCUIRMUYPKDR-UHFFFAOYSA-N -1 3 400.887 4.417 40 0 HIABHM CC(=O)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841735 558752990 /nfs/dbraw/zinc/75/29/90/558752990.db2.gz LCWZRYMUXMMGCE-IFMALSPDSA-N -1 3 405.494 4.322 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000016293328 558784426 /nfs/dbraw/zinc/78/44/26/558784426.db2.gz RIHHRZIKVJPIJP-GOSISDBHSA-N -1 3 424.522 4.052 40 0 HIABHM Cc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)sc1C ZINC000019124747 558844391 /nfs/dbraw/zinc/84/43/91/558844391.db2.gz WWCDLZDHUSNDCT-GOSISDBHSA-N -1 3 406.511 4.364 40 0 HIABHM COc1cccc(CN2CCC(C[C@H]3CC(c4ccccc4C)=NO3)(C(=O)[O-])CC2)c1 ZINC000019236935 558856243 /nfs/dbraw/zinc/85/62/43/558856243.db2.gz NGSAVAUQTMCWCJ-OAQYLSRUSA-N -1 3 422.525 4.254 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c(C)c1 ZINC000013748250 558863402 /nfs/dbraw/zinc/86/34/02/558863402.db2.gz BCOGPEAYQAMWRM-ACRUOGEOSA-N -1 3 404.491 4.416 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)c(C)c1 ZINC000013810980 558884445 /nfs/dbraw/zinc/88/44/45/558884445.db2.gz BEHNWZBSIRATNN-VABKMULXSA-N -1 3 416.452 4.494 40 0 HIABHM CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2F)cc(=O)[n-]1 ZINC000019453474 558890699 /nfs/dbraw/zinc/89/06/99/558890699.db2.gz PYLQVBXCKCGOJI-HXUWFJFHSA-N -1 3 418.472 4.228 40 0 HIABHM CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1OC ZINC000019533851 558913345 /nfs/dbraw/zinc/91/33/45/558913345.db2.gz WTMLHAPKLBPOKK-FQEVSTJZSA-N -1 3 420.513 4.379 40 0 HIABHM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc(Cl)c(Cl)c2)C3)C1 ZINC000072347335 558944509 /nfs/dbraw/zinc/94/45/09/558944509.db2.gz GUZSDLGQAYZFNA-ZDUSSCGKSA-N -1 3 407.345 4.284 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000102765748 559152577 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-1 3 402.907 4.363 40 0 HIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1F)c1ccc(F)cc1 ZINC000008810849 560756653 /nfs/dbraw/zinc/75/66/53/560756653.db2.gz DMCQCZORURFYQP-UHFFFAOYSA-N -1 3 424.375 4.296 40 0 HIABHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1C ZINC000012474626 560780893 /nfs/dbraw/zinc/78/08/93/560780893.db2.gz MIKXAVAWDYWPEP-GASCZTMLSA-N -1 3 410.543 4.223 40 0 HIABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)c1ccc(Br)cc1 ZINC000014152657 560838984 /nfs/dbraw/zinc/83/89/84/560838984.db2.gz LPPAENYTJPCJOD-UHFFFAOYSA-N -1 3 422.279 4.260 40 0 HIABHM C[C@@]12C(=O)N(c3ccc(F)cc3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004693733 568419154 /nfs/dbraw/zinc/41/91/54/568419154.db2.gz GBTGNQFSCNVAKQ-IMSXRSKXSA-N -1 3 402.425 4.267 40 0 HIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1N1CCCC1=O ZINC000219223430 568487969 /nfs/dbraw/zinc/48/79/69/568487969.db2.gz NAXKYBVIIBUNTK-UHFFFAOYSA-N -1 3 414.527 4.244 40 0 HIABHM CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(C)C)c3)cc2sc1=O ZINC000225112505 568615173 /nfs/dbraw/zinc/61/51/73/568615173.db2.gz WQUXVCPLGRSBKV-UHFFFAOYSA-N -1 3 406.529 4.016 40 0 HIABHM COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CCN3Cc3ccc(C(=O)[O-])cc3)O[C@@H]21 ZINC000257230538 568784994 /nfs/dbraw/zinc/78/49/94/568784994.db2.gz GCTMNRVZFFGHRA-DYQZNNLLSA-N -1 3 423.509 4.285 40 0 HIABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@@H]3C[C@H]21 ZINC000257330648 568813415 /nfs/dbraw/zinc/81/34/15/568813415.db2.gz XPHYDVYVEBAUOZ-GWWHBBDRSA-N -1 3 423.509 4.230 40 0 HIABHM COc1ccc(-c2cc([N-]C(=O)c3cc(=O)c4ccc(C)cc4o3)on2)cc1OC ZINC000027795656 568957206 /nfs/dbraw/zinc/95/72/06/568957206.db2.gz FWFJTXUZNIKZNP-UHFFFAOYSA-N -1 3 406.394 4.026 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1ccccc1 ZINC000107918616 569353139 /nfs/dbraw/zinc/35/31/39/569353139.db2.gz PEKFAAJEONVEBZ-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1C ZINC000223798839 853878501 /nfs/dbraw/zinc/87/85/01/853878501.db2.gz ASUYVTMZIBWLFL-UHFFFAOYSA-N -1 3 411.479 4.161 40 0 HIABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1OC ZINC000408585708 557489445 /nfs/dbraw/zinc/48/94/45/557489445.db2.gz IPBBVJRZCWINSJ-UHFFFAOYSA-N -1 3 406.504 4.496 40 0 HIABHM CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408586106 557489938 /nfs/dbraw/zinc/48/99/38/557489938.db2.gz AFXFEHVDSOHPRF-HNNXBMFYSA-N -1 3 424.950 4.133 40 0 HIABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)c(C)c1 ZINC000408625304 557557280 /nfs/dbraw/zinc/55/72/80/557557280.db2.gz RUFWMUWOZCFWCR-UHFFFAOYSA-N -1 3 400.544 4.347 40 0 HIABHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc(O)cc3)on2)sc2c1CCCC2 ZINC000004880683 557609414 /nfs/dbraw/zinc/60/94/14/557609414.db2.gz WWSVXCILKDOYCL-UHFFFAOYSA-N -1 3 412.467 4.417 40 0 HIABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)c1 ZINC000408677111 557682409 /nfs/dbraw/zinc/68/24/09/557682409.db2.gz QAAFJXRNIBPKGA-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1cccc(C)c1NC(=O)CSc1nnc([N-]C(=O)c2cccs2)s1 ZINC000035311587 557687380 /nfs/dbraw/zinc/68/73/80/557687380.db2.gz JRRFGCVVOHTGSU-UHFFFAOYSA-N -1 3 404.542 4.200 40 0 HIABHM Cc1ccc(OCC(=O)[N-]C(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 ZINC000006845564 557726665 /nfs/dbraw/zinc/72/66/65/557726665.db2.gz JIZNIORIGIXCHZ-UHFFFAOYSA-N -1 3 405.932 4.459 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1 ZINC000011582406 558264292 /nfs/dbraw/zinc/26/42/92/558264292.db2.gz HBUUSADWLVKENE-QYZOEREBSA-N -1 3 410.882 4.453 40 0 HIABHM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000019931931 558310508 /nfs/dbraw/zinc/31/05/08/558310508.db2.gz HLSDABWOAKOFPZ-UHFFFAOYSA-N -1 3 416.886 4.402 40 0 HIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccccc1C(F)(F)F ZINC000019937632 558312457 /nfs/dbraw/zinc/31/24/57/558312457.db2.gz UHMTZURXAFGNPV-UHFFFAOYSA-N -1 3 407.779 4.290 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cc1 ZINC000020029978 558323968 /nfs/dbraw/zinc/32/39/68/558323968.db2.gz XZMSOTFZAYBMOM-JTQLQIEISA-N -1 3 404.713 4.151 40 0 HIABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000020452285 558366594 /nfs/dbraw/zinc/36/65/94/558366594.db2.gz RXBGCRXHRWFRFZ-UHFFFAOYSA-N -1 3 408.690 4.375 40 0 HIABHM CCCCCc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000013611797 558548769 /nfs/dbraw/zinc/54/87/69/558548769.db2.gz OMAZWVSZSPDOIE-UHFFFAOYSA-N -1 3 408.468 4.156 40 0 HIABHM O=C(C1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019014864 558837014 /nfs/dbraw/zinc/83/70/14/558837014.db2.gz DFFPNBZEADOWEH-NRFANRHFSA-N -1 3 412.578 4.117 40 0 HIABHM CC(C)(C)c1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)cn1 ZINC000019084784 558840927 /nfs/dbraw/zinc/84/09/27/558840927.db2.gz KSHYBIFSJJTIEQ-AWEZNQCLSA-N -1 3 423.542 4.018 40 0 HIABHM CCC[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000013750607 558864135 /nfs/dbraw/zinc/86/41/35/558864135.db2.gz PBLBZXKHIMOEEP-KSZLIROESA-N -1 3 404.388 4.184 40 0 HIABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)cc1 ZINC000013804914 558883655 /nfs/dbraw/zinc/88/36/55/558883655.db2.gz FSJBFYBIIHAIFO-VJBWXMMDSA-N -1 3 414.461 4.055 40 0 HIABHM COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019554550 558917536 /nfs/dbraw/zinc/91/75/36/558917536.db2.gz GVXLTZQXENJQMZ-FQEVSTJZSA-N -1 3 423.538 4.193 40 0 HIABHM O=C([O-])c1ccc(-c2c[nH]nc2[C@@H]2CCCN(CCOCc3ccccc3)C2)cc1 ZINC000072360802 558955738 /nfs/dbraw/zinc/95/57/38/558955738.db2.gz AJLQQRRXEITPPZ-OAQYLSRUSA-N -1 3 405.498 4.171 40 0 HIABHM Cc1c2cc(F)ccc2[nH]c1CN1CCC[C@@H](c2cc(=O)[n-]c(-c3ccncc3)n2)C1 ZINC000072392975 558972786 /nfs/dbraw/zinc/97/27/86/558972786.db2.gz JXHYARFJLCYXHH-QGZVFWFLSA-N -1 3 417.488 4.140 40 0 HIABHM O=c1cc(C2CCN(Cc3cccnc3)CC2)nc(N[C@H]2CCc3ccccc32)[n-]1 ZINC000019717561 558980307 /nfs/dbraw/zinc/98/03/07/558980307.db2.gz AXADXYWFCPQJCW-NRFANRHFSA-N -1 3 401.514 4.056 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1C ZINC000101146026 559186872 /nfs/dbraw/zinc/18/68/72/559186872.db2.gz AOEICVJWOJBSDO-VABKMULXSA-N -1 3 416.452 4.494 40 0 HIABHM CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Br)c1[O-] ZINC000409017827 560665916 /nfs/dbraw/zinc/66/59/16/560665916.db2.gz VYCLINNAQOXDOZ-ITTMYVLYSA-N -1 3 400.294 4.388 40 0 HIABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccccc1)N2 ZINC000409361428 560714831 /nfs/dbraw/zinc/71/48/31/560714831.db2.gz SJSVUNSEJYQYMA-IIMJZQEZSA-N -1 3 412.452 4.367 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(C)c2)cc1 ZINC000409387588 560720075 /nfs/dbraw/zinc/72/00/75/560720075.db2.gz RPUHWUXEWWQECP-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1ccc(OCC(=O)[N-]C(=S)Nc2nc3ccc(Cl)cc3s2)cc1C ZINC000006846250 560747584 /nfs/dbraw/zinc/74/75/84/560747584.db2.gz DOJNKRXPRLPKJF-UHFFFAOYSA-N -1 3 405.932 4.459 40 0 HIABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000409099555 568417621 /nfs/dbraw/zinc/41/76/21/568417621.db2.gz OIGWCWACBRDQLB-NBQZKYEYSA-N -1 3 412.452 4.149 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1C ZINC000005023083 568431464 /nfs/dbraw/zinc/43/14/64/568431464.db2.gz QVIBHYIQLLOPTC-ZRBLBEILSA-N -1 3 414.461 4.060 40 0 HIABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000005255319 568442925 /nfs/dbraw/zinc/44/29/25/568442925.db2.gz NSWXOHWQFKYLJZ-VJBWXMMDSA-N -1 3 414.461 4.136 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000224598272 568587105 /nfs/dbraw/zinc/58/71/05/568587105.db2.gz LGLYRECRLLXDFE-YADHBBJMSA-N -1 3 416.506 4.407 40 0 HIABHM COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224600668 568587359 /nfs/dbraw/zinc/58/73/59/568587359.db2.gz CJIPCPAYIVABBE-VXKWHMMOSA-N -1 3 422.554 4.029 40 0 HIABHM COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CCN3Cc3cccc(C(=O)[O-])c3)O[C@@H]21 ZINC000257289297 568801292 /nfs/dbraw/zinc/80/12/92/568801292.db2.gz PXYYLPIOSUNIIQ-DYQZNNLLSA-N -1 3 423.509 4.285 40 0 HIABHM CCc1cc(-c2nc(N)nc(C(F)(F)F)c2-c2csc(C)n2)c([O-])cc1OC ZINC000001084614 569320379 /nfs/dbraw/zinc/32/03/79/569320379.db2.gz HKMAATDAZWLHAP-UHFFFAOYSA-N -1 3 410.421 4.453 40 0 HIABHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1[N-]S(C)(=O)=O ZINC000010315317 569343606 /nfs/dbraw/zinc/34/36/06/569343606.db2.gz PCIFTBUTXGBPKQ-UHFFFAOYSA-N -1 3 406.813 4.291 40 0 HIABHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033609179 569350697 /nfs/dbraw/zinc/35/06/97/569350697.db2.gz SLJZTJJYEGNHJX-JTQLQIEISA-N -1 3 421.733 4.261 40 0 HIABHM CCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000018007626 569382466 /nfs/dbraw/zinc/38/24/66/569382466.db2.gz BGOFGNTZSGJLKH-KSZLIROESA-N -1 3 405.281 4.472 40 0 HIABHM COc1cccc(Cc2cnc([C@@H]3CCCN(Cc4ccc(C(=O)[O-])cc4)C3)o2)c1 ZINC000257256345 569397845 /nfs/dbraw/zinc/39/78/45/569397845.db2.gz KLASNDDXRFJZOT-HXUWFJFHSA-N -1 3 406.482 4.352 40 0 HIABHM Cc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044903609 525165288 /nfs/dbraw/zinc/16/52/88/525165288.db2.gz MDDZBJYNIKCMIK-UHFFFAOYSA-N -1 3 414.914 4.379 40 0 HIABHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044901400 526974899 /nfs/dbraw/zinc/97/48/99/526974899.db2.gz SXLSLCSDYSNVOS-IQUTYRLHSA-N -1 3 404.919 4.059 40 0 HIABHM O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044901402 527084437 /nfs/dbraw/zinc/08/44/37/527084437.db2.gz SXLSLCSDYSNVOS-KSMMKXTCSA-N -1 3 404.919 4.059 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(=O)c1ccccc1F ZINC000408556833 557453528 /nfs/dbraw/zinc/45/35/28/557453528.db2.gz KHHGATVBTUPVGF-UHFFFAOYSA-N -1 3 418.421 4.027 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(=O)c1ccc(C)cc1 ZINC000408558465 557455681 /nfs/dbraw/zinc/45/56/81/557455681.db2.gz JCJWNEPSXHBSPV-UHFFFAOYSA-N -1 3 414.458 4.196 40 0 HIABHM COc1ccc(C(=O)CC(=C([O-])c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408686954 557702917 /nfs/dbraw/zinc/70/29/17/557702917.db2.gz SUKBJIYFCONDHJ-HSZRJFAPSA-N -1 3 422.502 4.302 40 0 HIABHM Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000013226993 558526667 /nfs/dbraw/zinc/52/66/67/558526667.db2.gz JMYXMSJRJFSVIG-XLIONFOSSA-N -1 3 402.498 4.062 40 0 HIABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C ZINC000013680902 558566624 /nfs/dbraw/zinc/56/66/24/558566624.db2.gz AAGPIVVSFLFIRU-UHFFFAOYSA-N -1 3 412.486 4.425 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3C)cc2)cc1 ZINC000015439207 558740072 /nfs/dbraw/zinc/74/00/72/558740072.db2.gz YIDNEJAGTXJMCP-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000016293261 558784451 /nfs/dbraw/zinc/78/44/51/558784451.db2.gz RJCWGKBWKKAFGL-QGZVFWFLSA-N -1 3 416.543 4.012 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000100829241 558798171 /nfs/dbraw/zinc/79/81/71/558798171.db2.gz PQRXXEZTUSVBNK-HBMCJLEFSA-N -1 3 404.853 4.391 40 0 HIABHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000101070273 558826407 /nfs/dbraw/zinc/82/64/07/558826407.db2.gz BGMVTEUMGWDEOV-PMVMPFDFSA-N -1 3 416.452 4.494 40 0 HIABHM Cc1ccc(C2=NO[C@@H](CC3(C(=O)[O-])CCN(Cc4ccc(F)cc4)CC3)C2)cc1 ZINC000019208816 558847714 /nfs/dbraw/zinc/84/77/14/558847714.db2.gz ZWMOHHOFYZOACL-OAQYLSRUSA-N -1 3 410.489 4.384 40 0 HIABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(NCc4ccc(Cl)cc4)n3)CC2=O)c1C ZINC000019235586 558854700 /nfs/dbraw/zinc/85/47/00/558854700.db2.gz LQFDLBGOPRRYPY-KRWDZBQOSA-N -1 3 422.916 4.173 40 0 HIABHM O=S(=O)([N-]c1ccc(Br)cc1F)c1cccc(Br)c1 ZINC000016129498 559001044 /nfs/dbraw/zinc/00/10/44/559001044.db2.gz SSTGVSXARCONID-UHFFFAOYSA-N -1 3 409.074 4.152 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000102767873 559152571 /nfs/dbraw/zinc/15/25/71/559152571.db2.gz NBHWJPUIBACJGY-ACRUOGEOSA-N -1 3 406.388 4.016 40 0 HIABHM CC(C)c1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006050046 559190137 /nfs/dbraw/zinc/19/01/37/559190137.db2.gz XYSBMKKPNURIRX-GFCCVEGCSA-N -1 3 415.342 4.422 40 0 HIABHM COc1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])o1 ZINC000000892366 560543235 /nfs/dbraw/zinc/54/32/35/560543235.db2.gz WKBYKCQVUPRPOU-UHFFFAOYSA-N -1 3 407.451 4.335 40 0 HIABHM O=C(COc1ccc(Cl)cc1Cl)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000408957428 560657958 /nfs/dbraw/zinc/65/79/58/560657958.db2.gz UKCYZLJRPNSFRR-ZUZCIYMTSA-N -1 3 411.207 4.012 40 0 HIABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000409057966 560670670 /nfs/dbraw/zinc/67/06/70/560670670.db2.gz XCXLCROUSZHZQN-BJOHPYRUSA-N -1 3 413.223 4.256 40 0 HIABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409171957 560686639 /nfs/dbraw/zinc/68/66/39/560686639.db2.gz FMCSRVAQGAYJFB-NDGTYSDOSA-N -1 3 420.884 4.459 40 0 HIABHM O=C(CSCc1ccccc1Cl)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000409176333 560687185 /nfs/dbraw/zinc/68/71/85/560687185.db2.gz KUKZGTCEKGPOMF-MLGOLLRUSA-N -1 3 406.857 4.213 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000005881909 560738764 /nfs/dbraw/zinc/73/87/64/560738764.db2.gz GUQMXZJDHQXKOS-FRKPEAEDSA-N -1 3 408.479 4.148 40 0 HIABHM O=C1S/C(=C\c2cc(Br)ccc2[O-])C(=O)N1CCOc1ccccc1 ZINC000106756899 560746172 /nfs/dbraw/zinc/74/61/72/560746172.db2.gz UJDRMIAKOKDXTB-WJDWOHSUSA-N -1 3 420.284 4.270 40 0 HIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000008209784 560753316 /nfs/dbraw/zinc/75/33/16/560753316.db2.gz QRBKKHXRAAAHQB-UHFFFAOYSA-N -1 3 406.301 4.089 40 0 HIABHM COc1ccccc1[C@@H]1CC(=O)c2c[n-]c3nn(-c4cccc(Cl)c4)c(=O)c-3c2C1 ZINC000013639594 560826064 /nfs/dbraw/zinc/82/60/64/560826064.db2.gz QYMDXQMSMCWZEW-ZDUSSCGKSA-N -1 3 419.868 4.289 40 0 HIABHM O=c1c2c3c(c[n-]c-2nn1-c1nc2ccccc2s1)C(=O)C[C@H](c1ccccc1)C3 ZINC000014163944 560839654 /nfs/dbraw/zinc/83/96/54/560839654.db2.gz TZGBSUCVTGCRQV-CQSZACIVSA-N -1 3 412.474 4.236 40 0 HIABHM O=C(COc1ccccc1Cl)[N-]C(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016450505 560860805 /nfs/dbraw/zinc/86/08/05/560860805.db2.gz QRACFTRDBVZNRN-UHFFFAOYSA-N -1 3 412.323 4.495 40 0 HIABHM COc1ccc(CC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000409099553 568417632 /nfs/dbraw/zinc/41/76/32/568417632.db2.gz OIGWCWACBRDQLB-DKICVRJWSA-N -1 3 412.452 4.149 40 0 HIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCc1cccc(Cl)c1 ZINC000222772520 568526073 /nfs/dbraw/zinc/52/60/73/568526073.db2.gz PLFGADCSEZOJQR-UHFFFAOYSA-N -1 3 406.356 4.214 40 0 HIABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC000223142436 568539369 /nfs/dbraw/zinc/53/93/69/568539369.db2.gz PNFNRUQYFRGELR-UHFFFAOYSA-N -1 3 405.859 4.089 40 0 HIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1ccccc1Cl ZINC000223331563 568545487 /nfs/dbraw/zinc/54/54/87/568545487.db2.gz RIZOLYBHTVJYJM-UHFFFAOYSA-N -1 3 418.740 4.022 40 0 HIABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000223591927 568552623 /nfs/dbraw/zinc/55/26/23/568552623.db2.gz FBVDOZKABQMPRD-UHFFFAOYSA-N -1 3 407.495 4.492 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000223851961 568560803 /nfs/dbraw/zinc/56/08/03/568560803.db2.gz XPTNMDPLZGIKGO-UHFFFAOYSA-N -1 3 410.706 4.013 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)cc1 ZINC000224059219 568568160 /nfs/dbraw/zinc/56/81/60/568568160.db2.gz LKCOEIALGDLKKK-UHFFFAOYSA-N -1 3 418.559 4.215 40 0 HIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000224592099 568586654 /nfs/dbraw/zinc/58/66/54/568586654.db2.gz YIRNABBUHXVXAJ-FCHUYYIVSA-N -1 3 413.506 4.150 40 0 HIABHM COc1cc(Br)cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1[O-] ZINC000098072187 568723453 /nfs/dbraw/zinc/72/34/53/568723453.db2.gz XHSGDWIEBPTVQM-UHFFFAOYSA-N -1 3 407.289 4.007 40 0 HIABHM COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Br)c1[O-] ZINC000260766386 568738107 /nfs/dbraw/zinc/73/81/07/568738107.db2.gz JTLQOEOWBXLQNN-UHNFBRDESA-N -1 3 420.332 4.148 40 0 HIABHM CCOc1cc(-c2cc(-c3ccc(O)c(OC)c3)n(C)n2)cc(Br)c1[O-] ZINC000257243864 568788554 /nfs/dbraw/zinc/78/85/54/568788554.db2.gz IIXIIGQBPLGULM-UHFFFAOYSA-N -1 3 419.275 4.335 40 0 HIABHM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000007361723 569337378 /nfs/dbraw/zinc/33/73/78/569337378.db2.gz FFZOTXMKYVLWCA-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1ccc(C)c(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)c1 ZINC000021112745 569349717 /nfs/dbraw/zinc/34/97/17/569349717.db2.gz PJDJYSJAXCUCMV-UHFFFAOYSA-N -1 3 402.907 4.385 40 0 HIABHM O=C(c1c[n-]c2ccccc2c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000032641337 569350423 /nfs/dbraw/zinc/35/04/23/569350423.db2.gz RDMGMYVUHUNEDC-UHFFFAOYSA-N -1 3 423.516 4.076 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)c1 ZINC000033596544 569350663 /nfs/dbraw/zinc/35/06/63/569350663.db2.gz UVGCWQRVVMJVBT-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1c(Cl)cccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000108038053 569353332 /nfs/dbraw/zinc/35/33/32/569353332.db2.gz HMJRDXYRLIZYMB-JTQLQIEISA-N -1 3 421.733 4.261 40 0 HIABHM Cc1ccc(-c2nn(-c3ccccc3)cc2CN(CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000072238825 571304326 /nfs/dbraw/zinc/30/43/26/571304326.db2.gz JMYQRAUZDPVJMQ-QHCPKHFHSA-N -1 3 419.525 4.303 40 0 HIABHM COc1cccc(-c2nnsc2C(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000225766275 525736698 /nfs/dbraw/zinc/73/66/98/525736698.db2.gz BSPORYKPDAFBAH-UHFFFAOYSA-N -1 3 408.252 4.368 40 0 HIABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000408550904 557417517 /nfs/dbraw/zinc/41/75/17/557417517.db2.gz IGHJSELNYCMUST-UHFFFAOYSA-N -1 3 410.495 4.311 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)NC1CCCCC1 ZINC000408555094 557446221 /nfs/dbraw/zinc/44/62/21/557446221.db2.gz DKKCADJLGHZFOU-UHFFFAOYSA-N -1 3 408.470 4.137 40 0 HIABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccs1 ZINC000004158800 557521272 /nfs/dbraw/zinc/52/12/72/557521272.db2.gz HBUUSADWLVKENE-QRVBRYPASA-N -1 3 410.882 4.453 40 0 HIABHM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)ccc3[O-])S2)cc1 ZINC000006026829 557684608 /nfs/dbraw/zinc/68/46/08/557684608.db2.gz PGTNFXZBKFIDBQ-CFINBHSISA-N -1 3 405.317 4.317 40 0 HIABHM COc1ccc(C([O-])=C(CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408681285 557686989 /nfs/dbraw/zinc/68/69/89/557686989.db2.gz HOCOSGKQSBUQAS-HSZRJFAPSA-N -1 3 422.502 4.302 40 0 HIABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1OC ZINC000408698932 557715710 /nfs/dbraw/zinc/71/57/10/557715710.db2.gz TYGWILAKQYGMGI-UHFFFAOYSA-N -1 3 403.287 4.151 40 0 HIABHM O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000010493442 558258439 /nfs/dbraw/zinc/25/84/39/558258439.db2.gz UEENJSRTXRRNBN-UHFFFAOYSA-N -1 3 406.385 4.157 40 0 HIABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000019886465 558302083 /nfs/dbraw/zinc/30/20/83/558302083.db2.gz HHMHSJOLDWSOKF-UHFFFAOYSA-N -1 3 410.495 4.280 40 0 HIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCC3)cc2Cl)cc1 ZINC000020461498 558373334 /nfs/dbraw/zinc/37/33/34/558373334.db2.gz QCAGBOIVUMNNCZ-UHFFFAOYSA-N -1 3 406.935 4.464 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1N1CCCC1=O ZINC000030757958 558737683 /nfs/dbraw/zinc/73/76/83/558737683.db2.gz KOHJCWFPVDWBFL-UHFFFAOYSA-N -1 3 402.516 4.055 40 0 HIABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000016269207 558782767 /nfs/dbraw/zinc/78/27/67/558782767.db2.gz LKFBHFXVMMIHKO-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000016293264 558784446 /nfs/dbraw/zinc/78/44/46/558784446.db2.gz RJCWGKBWKKAFGL-KRWDZBQOSA-N -1 3 416.543 4.012 40 0 HIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CC(C)C)cc1 ZINC000101041305 558825837 /nfs/dbraw/zinc/82/58/37/558825837.db2.gz PVHNACHDIDKRKZ-BDTNDASRSA-N -1 3 408.498 4.200 40 0 HIABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000101075528 558826500 /nfs/dbraw/zinc/82/65/00/558826500.db2.gz TXGUTMNUCUJRAZ-HBMCJLEFSA-N -1 3 419.868 4.095 40 0 HIABHM CN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000046868380 558841215 /nfs/dbraw/zinc/84/12/15/558841215.db2.gz ZUQBHUQPFXKXFU-UHFFFAOYSA-N -1 3 416.449 4.038 40 0 HIABHM Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(N[C@@H](C)c4ccccc4)n3)CC2=O)c1C ZINC000019235561 558854523 /nfs/dbraw/zinc/85/45/23/558854523.db2.gz UJTSGPZFHDYLLA-HKUYNNGSSA-N -1 3 402.498 4.080 40 0 HIABHM O=c1cc([C@@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc(-c2ccncc2)[n-]1 ZINC000019292612 558864430 /nfs/dbraw/zinc/86/44/30/558864430.db2.gz WUTCATSAZACOIB-CQSZACIVSA-N -1 3 401.297 4.128 40 0 HIABHM O=c1[n-]c(-c2ccncc2)nc2c1CCN(Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373585 558880733 /nfs/dbraw/zinc/88/07/33/558880733.db2.gz OPKIQSCOPXNZON-UHFFFAOYSA-N -1 3 410.477 4.183 40 0 HIABHM CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1OC ZINC000019533849 558913235 /nfs/dbraw/zinc/91/32/35/558913235.db2.gz WTMLHAPKLBPOKK-HXUWFJFHSA-N -1 3 420.513 4.379 40 0 HIABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000059132918 558932315 /nfs/dbraw/zinc/93/23/15/558932315.db2.gz WPCPDQMJTWLXQD-UHFFFAOYSA-N -1 3 410.495 4.447 40 0 HIABHM COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1[N-]C(=O)c1ccco1 ZINC000000871435 560536148 /nfs/dbraw/zinc/53/61/48/560536148.db2.gz RJOFPVZHQIJGTG-UHFFFAOYSA-N -1 3 402.403 4.080 40 0 HIABHM Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccc2[O-])cc1 ZINC000001223792 560572361 /nfs/dbraw/zinc/57/23/61/560572361.db2.gz DXFNOEJNOWMRDP-UHFFFAOYSA-N -1 3 408.527 4.053 40 0 HIABHM Cc1cc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000408956515 560657877 /nfs/dbraw/zinc/65/78/77/560657877.db2.gz QSUWBCYBHAUEGU-CXAGYDPISA-N -1 3 404.816 4.057 40 0 HIABHM Cc1ccccc1OCC(=O)N1NC2=C(C[C@@H](C(C)(C)C)CC2)[C@@]1([O-])C(F)(F)F ZINC000409088969 560675102 /nfs/dbraw/zinc/67/51/02/560675102.db2.gz MLMKAWIGKYBYBL-AUSJPIAWSA-N -1 3 412.452 4.285 40 0 HIABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@]2([O-])C(F)(F)F ZINC000409175297 560687058 /nfs/dbraw/zinc/68/70/58/560687058.db2.gz YZUBTEIZCRAFQM-JOTOCRJQSA-N -1 3 412.452 4.248 40 0 HIABHM Cc1cccc(CSCC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000409175375 560687065 /nfs/dbraw/zinc/68/70/65/560687065.db2.gz YGOAYGSHWDCZQD-UHFFFAOYSA-N -1 3 406.392 4.031 40 0 HIABHM O=C(COc1cc(Cl)ccc1Cl)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000409190254 560689136 /nfs/dbraw/zinc/68/91/36/560689136.db2.gz QRJJJPKQMDEVLS-ZUZCIYMTSA-N -1 3 411.207 4.012 40 0 HIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)c(C)c2)cc1 ZINC000409379901 560718656 /nfs/dbraw/zinc/71/86/56/560718656.db2.gz BHMSJENQWQWRIJ-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)NCc1ccccc1 ZINC000409388915 560720307 /nfs/dbraw/zinc/72/03/07/560720307.db2.gz XZXXEBLQQVGNBM-UHFFFAOYSA-N -1 3 416.506 4.048 40 0 HIABHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000409412650 560723004 /nfs/dbraw/zinc/72/30/04/560723004.db2.gz VWIIUEXGXHDXFU-LPHOPBHVSA-N -1 3 422.554 4.427 40 0 HIABHM CCc1ccc(OCC(=O)[N-]C(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000006555774 560744084 /nfs/dbraw/zinc/74/40/84/560744084.db2.gz KIDAKEHTMJPBMN-UHFFFAOYSA-N -1 3 405.932 4.404 40 0 HIABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccc(C)cc4)cc3)ccc21 ZINC000015244975 560853936 /nfs/dbraw/zinc/85/39/36/560853936.db2.gz LSRLXNXCSWPLMF-UHFFFAOYSA-N -1 3 422.506 4.497 40 0 HIABHM COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Br)c1[O-] ZINC000222574161 568518825 /nfs/dbraw/zinc/51/88/25/568518825.db2.gz JTLQOEOWBXLQNN-HNHYXYPQSA-N -1 3 420.332 4.148 40 0 HIABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)c(C)cc1C ZINC000223501395 568550491 /nfs/dbraw/zinc/55/04/91/568550491.db2.gz KBBFZIBUBAGWBZ-CQSZACIVSA-N -1 3 412.349 4.422 40 0 HIABHM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1C ZINC000223665348 568555490 /nfs/dbraw/zinc/55/54/90/568555490.db2.gz VWPZFNNOCVSYRW-UHFFFAOYSA-N -1 3 403.500 4.076 40 0 HIABHM O=C(NCC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224409405 568580626 /nfs/dbraw/zinc/58/06/26/568580626.db2.gz BKIMMNOXJOWNFR-UHFFFAOYSA-N -1 3 406.935 4.451 40 0 HIABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000224531444 568583875 /nfs/dbraw/zinc/58/38/75/568583875.db2.gz VDTRCHRBGYXVNK-UHFFFAOYSA-N -1 3 416.886 4.402 40 0 HIABHM Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)[n-]c(=O)n1 ZINC000257319781 568810190 /nfs/dbraw/zinc/81/01/90/568810190.db2.gz VUAGGZSCDTWFBD-SFHVURJKSA-N -1 3 412.877 4.090 40 0 HIABHM CN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044846337 523340216 /nfs/dbraw/zinc/34/02/16/523340216.db2.gz FYYHUKXGJCSLIU-UHFFFAOYSA-N -1 3 414.914 4.413 40 0 HIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1ccccc1 ZINC000408551060 557421516 /nfs/dbraw/zinc/42/15/16/557421516.db2.gz JHJSHXAUCOMMBT-UHFFFAOYSA-N -1 3 410.495 4.365 40 0 HIABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c(C)c1 ZINC000408562309 557460937 /nfs/dbraw/zinc/46/09/37/557460937.db2.gz OTLGVXCPQGWUJT-UHFFFAOYSA-N -1 3 401.532 4.430 40 0 HIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 ZINC000408588523 557494200 /nfs/dbraw/zinc/49/42/00/557494200.db2.gz GNUAUNCDMBQNCZ-KRWDZBQOSA-N -1 3 416.543 4.012 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1Cl ZINC000408592075 557505079 /nfs/dbraw/zinc/50/50/79/557505079.db2.gz NQBUYDIJMRSYKH-UHFFFAOYSA-N -1 3 423.922 4.167 40 0 HIABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000004070865 557509706 /nfs/dbraw/zinc/50/97/06/557509706.db2.gz JKBFEHQBJALXIB-BDTNDASRSA-N -1 3 402.425 4.185 40 0 HIABHM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1C ZINC000408605841 557518073 /nfs/dbraw/zinc/51/80/73/557518073.db2.gz NRMHMESRRLVYTG-UHFFFAOYSA-N -1 3 401.315 4.242 40 0 HIABHM CCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nnn[n-]3)nc2)n1 ZINC000005139136 557637754 /nfs/dbraw/zinc/63/77/54/557637754.db2.gz YONOBYIBNBCDSJ-UHFFFAOYSA-N -1 3 416.533 4.254 40 0 world HIABHM CCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)nc2)n1 ZINC000005139136 557637757 /nfs/dbraw/zinc/63/77/57/557637757.db2.gz YONOBYIBNBCDSJ-UHFFFAOYSA-N -1 3 416.533 4.254 40 0 world HIABHM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000408675095 557675704 /nfs/dbraw/zinc/67/57/04/557675704.db2.gz GKDVZFYASBTLJT-UHFFFAOYSA-N -1 3 424.522 4.430 40 0 HIABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000011582363 558264251 /nfs/dbraw/zinc/26/42/51/558264251.db2.gz JKBFEHQBJALXIB-FSSWDIPSSA-N -1 3 402.425 4.185 40 0 HIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000019937634 558312450 /nfs/dbraw/zinc/31/24/50/558312450.db2.gz MTBOAHZKCGNPJS-UHFFFAOYSA-N -1 3 407.779 4.290 40 0 HIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccccc1Br ZINC000019937612 558312489 /nfs/dbraw/zinc/31/24/89/558312489.db2.gz DDJODZNWGRQBKY-UHFFFAOYSA-N -1 3 418.678 4.034 40 0 HIABHM CCOc1cc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)ccc1OC ZINC000012275510 558363938 /nfs/dbraw/zinc/36/39/38/558363938.db2.gz NBHCCEBOLBEJAI-UHFFFAOYSA-N -1 3 420.513 4.031 40 0 HIABHM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020486854 558376686 /nfs/dbraw/zinc/37/66/86/558376686.db2.gz QIWNRXYTFYYYOY-UHFFFAOYSA-N -1 3 400.887 4.071 40 0 HIABHM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000016362298 558787968 /nfs/dbraw/zinc/78/79/68/558787968.db2.gz LGVVUMOWSVWMAG-UHFFFAOYSA-N -1 3 410.495 4.122 40 0 HIABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N[C@H](C)c4ccccc4)n3)CC2=O)c1C ZINC000019235562 558854501 /nfs/dbraw/zinc/85/45/01/558854501.db2.gz UJTSGPZFHDYLLA-IEBWSBKVSA-N -1 3 402.498 4.080 40 0 HIABHM COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1C ZINC000019571173 558929890 /nfs/dbraw/zinc/92/98/90/558929890.db2.gz WKPBHAQZHIBUHL-IBGZPJMESA-N -1 3 423.538 4.112 40 0 HIABHM CCOc1ccc(CN2CCC(c3cc(=O)[n-]c(-c4ccncc4)n3)CC2)cc1OC ZINC000072392706 558972475 /nfs/dbraw/zinc/97/24/75/558972475.db2.gz XFJPRZRFUAHAMD-UHFFFAOYSA-N -1 3 420.513 4.031 40 0 HIABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@@]32C)cc1 ZINC000002336305 560559653 /nfs/dbraw/zinc/55/96/53/560559653.db2.gz GBDLERWZMUYQPR-TZBSWOFLSA-N -1 3 414.461 4.136 40 0 HIABHM CN(C)c1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000409101810 560677343 /nfs/dbraw/zinc/67/73/43/560677343.db2.gz YWEGVLZJIJEHTI-UVFQYZLESA-N -1 3 411.468 4.278 40 0 HIABHM O=C(CSCc1ccccc1Cl)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000409176331 560687235 /nfs/dbraw/zinc/68/72/35/560687235.db2.gz KUKZGTCEKGPOMF-BLLLJJGKSA-N -1 3 406.857 4.213 40 0 HIABHM CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nnc1-c1ccccc1[O-] ZINC000409411503 560721602 /nfs/dbraw/zinc/72/16/02/560721602.db2.gz HYPPSUVMBSVQIY-UHFFFAOYSA-N -1 3 402.907 4.363 40 0 HIABHM Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccccc3)[n-]c(-c3ccccc3)c-2c1=O ZINC000103769136 560734667 /nfs/dbraw/zinc/73/46/67/560734667.db2.gz XIQCJYKEDDRRLD-IRLDBZIGSA-N -1 3 415.880 4.431 40 0 HIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000005880104 560738735 /nfs/dbraw/zinc/73/87/35/560738735.db2.gz WBMXQAIAAOIPHP-UHFFFAOYSA-N -1 3 413.524 4.305 40 0 HIABHM COc1cc(-c2nc(N3CCC(C)CC3)nc3c2C(=O)c2ccccc2-3)ccc1[O-] ZINC000017082193 560862059 /nfs/dbraw/zinc/86/20/59/560862059.db2.gz NAXLDORDXWZCIV-UHFFFAOYSA-N -1 3 401.466 4.306 40 0 HIABHM COc1cc2sc(NC(=S)[N-]C(=O)COc3ccccc3C)nc2cc1Cl ZINC000017092850 560867414 /nfs/dbraw/zinc/86/74/14/560867414.db2.gz NJGBXYPFMQWFAE-UHFFFAOYSA-N -1 3 421.931 4.159 40 0 HIABHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000054435414 560897913 /nfs/dbraw/zinc/89/79/13/560897913.db2.gz RGOFKGUKHYLOEI-UHFFFAOYSA-N -1 3 416.569 4.115 40 0 HIABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004980745 568430712 /nfs/dbraw/zinc/43/07/12/568430712.db2.gz GLUBGJJHSQFDME-HBMCJLEFSA-N -1 3 404.853 4.391 40 0 HIABHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223095490 568537452 /nfs/dbraw/zinc/53/74/52/568537452.db2.gz OHVKWXKYWDSHLW-HXUWFJFHSA-N -1 3 420.962 4.471 40 0 HIABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000224524631 568583651 /nfs/dbraw/zinc/58/36/51/568583651.db2.gz DEKXYRLRXBDQQS-UHFFFAOYSA-N -1 3 416.886 4.402 40 0 HIABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000224565391 568585559 /nfs/dbraw/zinc/58/55/59/568585559.db2.gz CJLZELRJGBVVGF-UHFFFAOYSA-N -1 3 414.458 4.278 40 0 HIABHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c([O-])c12 ZINC000007424034 569031719 /nfs/dbraw/zinc/03/17/19/569031719.db2.gz KEFVKMKFLASWMO-UHFFFAOYSA-N -1 3 412.371 4.293 40 0 HIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccccc1 ZINC000006885370 569335173 /nfs/dbraw/zinc/33/51/73/569335173.db2.gz OCRZIEGBIMDNSI-UHFFFAOYSA-N -1 3 416.886 4.158 40 0 HIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000011666661 569398834 /nfs/dbraw/zinc/39/88/34/569398834.db2.gz YDFNFNCLYUEFQC-VABKMULXSA-N -1 3 416.452 4.439 40 0 HIABHM