smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423067 1069717528 /nfs/dbraw/zinc/71/75/28/1069717528.db2.gz VQQJJHOJIIDOTQ-UHFFFAOYSA-N -1 1 588.664 7.091 40 0 KKABMM CC(=O)c1ccc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)cc1 ZINC000108423134 1069718641 /nfs/dbraw/zinc/71/86/41/1069718641.db2.gz GPHOGJKTQGPHFB-UHFFFAOYSA-N -1 1 544.611 6.729 40 0 KKABMM CCOc1ccc2ccccc2c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423336 1069720049 /nfs/dbraw/zinc/72/00/49/1069720049.db2.gz QWKNFHSJVNPSJA-UHFFFAOYSA-N -1 1 530.628 6.818 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCCc1ccccc1 ZINC000108423309 1069720126 /nfs/dbraw/zinc/72/01/26/1069720126.db2.gz PCLWVLCIEZAFMK-UHFFFAOYSA-N -1 1 586.692 6.896 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Br)c1O ZINC000108423416 1069721346 /nfs/dbraw/zinc/72/13/46/1069721346.db2.gz BMDPULQMHMDAJO-UHFFFAOYSA-N -1 1 575.463 6.133 40 0 KKABMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408706044 1069735045 /nfs/dbraw/zinc/73/50/45/1069735045.db2.gz UBLJILONUDVRMA-KRWDZBQOSA-N -1 1 531.472 5.953 40 0 KKABMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408706045 1069735087 /nfs/dbraw/zinc/73/50/87/1069735087.db2.gz UBLJILONUDVRMA-QGZVFWFLSA-N -1 1 531.472 5.953 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000409408695 1069808548 /nfs/dbraw/zinc/80/85/48/1069808548.db2.gz KUGWUJZSSPLCLJ-UHFFFAOYSA-N -1 1 611.356 5.814 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408790871 1069919878 /nfs/dbraw/zinc/91/98/78/1069919878.db2.gz UDHIKWIHKHBSQR-DNQIBQKISA-N -1 1 705.343 5.147 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408926094 1070237721 /nfs/dbraw/zinc/23/77/21/1070237721.db2.gz OIDLACVKUZIGHN-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408925079 1070235997 /nfs/dbraw/zinc/23/59/97/1070235997.db2.gz IPINAQBXEMNGIW-UHFFFAOYSA-N -1 1 748.632 8.769 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000408922547 1070240064 /nfs/dbraw/zinc/24/00/64/1070240064.db2.gz FTTLYZSPRBLIHY-UHFFFAOYSA-N -1 1 642.597 6.009 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(F)cc2)cc1 ZINC000408924269 1070242506 /nfs/dbraw/zinc/24/25/06/1070242506.db2.gz FNXVIOSRSKMAAF-UHFFFAOYSA-N -1 1 602.109 5.731 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccc(Br)cc1 ZINC000408990965 1070357415 /nfs/dbraw/zinc/35/74/15/1070357415.db2.gz PFILJLHRZBNVCC-UHFFFAOYSA-N -1 1 511.441 6.683 40 0 KKABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087625 1070521262 /nfs/dbraw/zinc/52/12/62/1070521262.db2.gz CMSMJRPGTADOMG-WXXWBPKISA-N -1 1 778.257 5.041 40 0 KKABMM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000409165926 1070583656 /nfs/dbraw/zinc/58/36/56/1070583656.db2.gz BAEFJJADCCEQLJ-UHFFFAOYSA-N -1 1 550.316 6.973 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2)cc1OC ZINC000409174867 1070589839 /nfs/dbraw/zinc/58/98/39/1070589839.db2.gz WMIJKEGTMVVWAS-UHFFFAOYSA-N -1 1 660.568 5.101 40 0 KKABMM Cc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409409372 1070926996 /nfs/dbraw/zinc/92/69/96/1070926996.db2.gz OGNFILKNHHVBOX-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM CCCCCO[C@H]1C=CC=C[C@@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408737136 1070951169 /nfs/dbraw/zinc/95/11/69/1070951169.db2.gz KUNYLSCIUKBRKB-SVBPBHIXSA-N -1 1 524.665 6.536 40 0 KKABMM CCCCO[C@H]1C=CC=C[C@@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408736886 1070951310 /nfs/dbraw/zinc/95/13/10/1070951310.db2.gz BMUKYULUWDZTLS-UIOOFZCWSA-N -1 1 510.638 6.145 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Br)cc1 ZINC000408914682 1071011264 /nfs/dbraw/zinc/01/12/64/1071011264.db2.gz XCTIYGKSOACCLW-UHFFFAOYSA-N -1 1 569.808 5.723 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000408925158 1071079801 /nfs/dbraw/zinc/07/98/01/1071079801.db2.gz KKBPGDJSPIDNLV-UHFFFAOYSA-N -1 1 588.082 5.422 40 0 KKABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408925576 1071077182 /nfs/dbraw/zinc/07/71/82/1071077182.db2.gz UYGUADAWIYKDBR-UHFFFAOYSA-N -1 1 610.463 5.526 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408925278 1071078952 /nfs/dbraw/zinc/07/89/52/1071078952.db2.gz LWJMIHWJRSENIH-UHFFFAOYSA-N -1 1 636.151 6.137 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000408924195 1071083956 /nfs/dbraw/zinc/08/39/56/1071083956.db2.gz DITGERJCQNAEDB-UHFFFAOYSA-N -1 1 586.091 5.338 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408923243 1071088861 /nfs/dbraw/zinc/08/88/61/1071088861.db2.gz GNODXAZCAGTYGS-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2Br)cc1 ZINC000408921695 1071094149 /nfs/dbraw/zinc/09/41/49/1071094149.db2.gz VDWXRDMLBYAKPB-UHFFFAOYSA-N -1 1 539.904 6.084 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1Cl ZINC000408920396 1071104271 /nfs/dbraw/zinc/10/42/71/1071104271.db2.gz GBJHOXXCBLGNHH-UHFFFAOYSA-N -1 1 558.081 5.007 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000408920236 1071105770 /nfs/dbraw/zinc/10/57/70/1071105770.db2.gz CLODVBOCORDVLZ-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cccc(Cl)c2C)cc1 ZINC000408920218 1071105876 /nfs/dbraw/zinc/10/58/76/1071105876.db2.gz BMROUQNKDLOELJ-UHFFFAOYSA-N -1 1 686.561 7.264 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cc(C)ccc2C)cc1 ZINC000408927356 1071196398 /nfs/dbraw/zinc/19/63/98/1071196398.db2.gz ZXZDMSGKLOUMFV-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2)cc1 ZINC000408927441 1071197154 /nfs/dbraw/zinc/19/71/54/1071197154.db2.gz VBNBJFGTGGKDFG-UHFFFAOYSA-N -1 1 630.542 5.093 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000198318606 1071210369 /nfs/dbraw/zinc/21/03/69/1071210369.db2.gz WSXVTNJYNRPLTK-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000408682585 1071369209 /nfs/dbraw/zinc/36/92/09/1071369209.db2.gz ZNGPJSULRLCAAZ-UHFFFAOYSA-N -1 1 634.966 5.767 40 0 KKABMM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408681153 1071376690 /nfs/dbraw/zinc/37/66/90/1071376690.db2.gz PPWFQZBSMOFQKV-FQEVSTJZSA-N -1 1 507.381 5.185 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000408681177 1071376786 /nfs/dbraw/zinc/37/67/86/1071376786.db2.gz PSECEBUSBQNWHD-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)CC1 ZINC000408695612 1071383821 /nfs/dbraw/zinc/38/38/21/1071383821.db2.gz WTZXKORIQQHYOO-UHFFFAOYSA-N -1 1 577.728 5.130 40 0 KKABMM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408695034 1071385776 /nfs/dbraw/zinc/38/57/76/1071385776.db2.gz OBMOOKINWVYCIS-HXUWFJFHSA-N -1 1 542.963 5.964 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408705940 1071433886 /nfs/dbraw/zinc/43/38/86/1071433886.db2.gz QSAMHRKHOCYQTA-UHFFFAOYSA-N -1 1 611.664 5.188 40 0 KKABMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc(C)c1Cl ZINC000408706018 1071433078 /nfs/dbraw/zinc/43/30/78/1071433078.db2.gz SVOROPNFLPTJEK-KRWDZBQOSA-N -1 1 507.439 6.125 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704949 1071436987 /nfs/dbraw/zinc/43/69/87/1071436987.db2.gz WAYOGNXBESQVCV-LJAQVGFWSA-N -1 1 680.557 7.840 40 0 KKABMM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408704668 1071438215 /nfs/dbraw/zinc/43/82/15/1071438215.db2.gz REQQBPWDBWVYTD-UHFFFAOYSA-N -1 1 556.065 5.222 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)c1 ZINC000408704495 1071438904 /nfs/dbraw/zinc/43/89/04/1071438904.db2.gz OMHYXTXGPCUJGU-UHFFFAOYSA-N -1 1 549.674 5.185 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000408704232 1071441269 /nfs/dbraw/zinc/44/12/69/1071441269.db2.gz LDRKCQZOFPYJQX-PMERELPUSA-N -1 1 626.587 7.129 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000408703512 1071444395 /nfs/dbraw/zinc/44/43/95/1071444395.db2.gz TYPNNFLQWPOWOP-SFHVURJKSA-N -1 1 501.048 6.153 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000408703511 1071444432 /nfs/dbraw/zinc/44/44/32/1071444432.db2.gz TYPNNFLQWPOWOP-GOSISDBHSA-N -1 1 501.048 6.153 40 0 KKABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408702973 1071444974 /nfs/dbraw/zinc/44/49/74/1071444974.db2.gz LGLYXOINUDPSBZ-JOCHJYFZSA-N -1 1 542.963 5.964 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000408701359 1071451336 /nfs/dbraw/zinc/45/13/36/1071451336.db2.gz WQMRTMWNJLMDCU-UHFFFAOYSA-N -1 1 592.139 5.275 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2)cc1 ZINC000408701627 1071451528 /nfs/dbraw/zinc/45/15/28/1071451528.db2.gz BGNBMPXAYQEAQS-UHFFFAOYSA-N -1 1 595.768 5.904 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408701994 1071449944 /nfs/dbraw/zinc/44/99/44/1071449944.db2.gz IWPPSRGWOINNEG-UHFFFAOYSA-N -1 1 592.139 5.131 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715057 1071472590 /nfs/dbraw/zinc/47/25/90/1071472590.db2.gz ZJRBICFXOXVGEO-UHFFFAOYSA-N -1 1 594.180 5.680 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714827 1071473478 /nfs/dbraw/zinc/47/34/78/1071473478.db2.gz PQMSWNICEAGGNR-UHFFFAOYSA-N -1 1 587.789 5.643 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714599 1071476015 /nfs/dbraw/zinc/47/60/15/1071476015.db2.gz JBLANBWXLXTTJG-UHFFFAOYSA-N -1 1 594.180 5.680 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714606 1071476234 /nfs/dbraw/zinc/47/62/34/1071476234.db2.gz JWTKSOMLTNXGSV-UHFFFAOYSA-N -1 1 577.725 5.021 40 0 KKABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1Cl ZINC000408712531 1071481677 /nfs/dbraw/zinc/48/16/77/1071481677.db2.gz GEKNDLYKUNYJSJ-UHFFFAOYSA-N -1 1 602.134 5.488 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000408712571 1071482715 /nfs/dbraw/zinc/48/27/15/1071482715.db2.gz RNNXAENPUMUQDA-UHFFFAOYSA-N -1 1 602.109 5.807 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408712582 1071483333 /nfs/dbraw/zinc/48/33/33/1071483333.db2.gz WOXLYRIVUPORNX-UHFFFAOYSA-N -1 1 622.527 6.152 40 0 KKABMM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000408712375 1071484945 /nfs/dbraw/zinc/48/49/45/1071484945.db2.gz RZWRTYRKJZYZGK-MRXNPFEDSA-N -1 1 600.944 5.005 40 0 KKABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712206 1071487882 /nfs/dbraw/zinc/48/78/82/1071487882.db2.gz RTVFQVYAMWDYOL-UHFFFAOYSA-N -1 1 620.071 5.353 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1SCc1ccccc1 ZINC000408711570 1071491833 /nfs/dbraw/zinc/49/18/33/1071491833.db2.gz ZEPKVGHFFBQVAJ-UHFFFAOYSA-N -1 1 524.667 7.185 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000408712250 1071488830 /nfs/dbraw/zinc/48/88/30/1071488830.db2.gz BXGODXCPRWAKMA-UHFFFAOYSA-N -1 1 588.082 5.498 40 0 KKABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408712135 1071490183 /nfs/dbraw/zinc/49/01/83/1071490183.db2.gz BGAZVDAKEOTDJB-QGZVFWFLSA-N -1 1 604.072 5.570 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)cc2C)cc1 ZINC000408711439 1071492453 /nfs/dbraw/zinc/49/24/53/1071492453.db2.gz XIKXMOLNZMTZSP-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)c(C)c3)cc2)cc1 ZINC000408711463 1071493402 /nfs/dbraw/zinc/49/34/02/1071493402.db2.gz ZHXSWIFNRWHXNY-UHFFFAOYSA-N -1 1 579.700 5.556 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)c(C)c1 ZINC000408711486 1071493987 /nfs/dbraw/zinc/49/39/87/1071493987.db2.gz NLTVXUOKJBNYBC-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000408711544 1071494854 /nfs/dbraw/zinc/49/48/54/1071494854.db2.gz WBIOPOFDIKJGHU-UHFFFAOYSA-N -1 1 618.099 5.862 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711318 1071497310 /nfs/dbraw/zinc/49/73/10/1071497310.db2.gz HMOYTICXQOTPMB-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711343 1071498065 /nfs/dbraw/zinc/49/80/65/1071498065.db2.gz KHGGDFPEOQDNPR-CQSZACIVSA-N -1 1 606.937 5.249 40 0 KKABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000408711405 1071499523 /nfs/dbraw/zinc/49/95/23/1071499523.db2.gz SLXHUTZAPLBZIB-UHFFFAOYSA-N -1 1 584.547 5.596 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000408711156 1071500124 /nfs/dbraw/zinc/50/01/24/1071500124.db2.gz YJXRHAZCZVRLES-UHFFFAOYSA-N -1 1 683.433 6.775 40 0 KKABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711342 1071497921 /nfs/dbraw/zinc/49/79/21/1071497921.db2.gz KHGGDFPEOQDNPR-AWEZNQCLSA-N -1 1 606.937 5.249 40 0 KKABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000408711104 1071505226 /nfs/dbraw/zinc/50/52/26/1071505226.db2.gz CFXROPFOJNISTH-UHFFFAOYSA-N -1 1 586.135 5.787 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000408710432 1071507796 /nfs/dbraw/zinc/50/77/96/1071507796.db2.gz BTXMIQKROUCRID-UHFFFAOYSA-N -1 1 570.901 6.437 40 0 KKABMM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c([O-])c(Br)c4Br)c(=O)n32)c(OC)c1 ZINC000408978519 1071548020 /nfs/dbraw/zinc/54/80/20/1071548020.db2.gz MQMHLORLBNRJLU-GCPBHNERSA-N -1 1 715.420 5.130 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408994907 1071556175 /nfs/dbraw/zinc/55/61/75/1071556175.db2.gz HSZUZTQLPUKYAA-GLSAMTQTSA-N -1 1 733.447 5.730 40 0 KKABMM COc1cc(/C=C2/NC(=S)[N-]C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409000170 1071651547 /nfs/dbraw/zinc/65/15/47/1071651547.db2.gz MSXIGKUBXVLWQB-LFYBBSHMSA-N -1 1 567.086 5.451 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409061164 1072030937 /nfs/dbraw/zinc/03/09/37/1072030937.db2.gz XMJQOWWUWKDZSS-ZKZBLMLZSA-N -1 1 733.422 5.813 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409059800 1072037409 /nfs/dbraw/zinc/03/74/09/1072037409.db2.gz OMPYVTHDDYSTGR-VCDQAHEJSA-N -1 1 751.824 5.670 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409095889 1072237264 /nfs/dbraw/zinc/23/72/64/1072237264.db2.gz IRDVCCQWFDHBCH-MKOZVTOYSA-N -1 1 733.666 6.034 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409090392 1072282164 /nfs/dbraw/zinc/28/21/64/1072282164.db2.gz PGMVJEJQGGSEMA-UJVJZFQOSA-N -1 1 717.667 6.370 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409105941 1072346197 /nfs/dbraw/zinc/34/61/97/1072346197.db2.gz PMUAVWSQYKVGQG-GAWJTQHISA-N -1 1 638.771 5.607 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409104003 1072358375 /nfs/dbraw/zinc/35/83/75/1072358375.db2.gz IBTXCJSUWBTXEI-NKLXDWDJSA-N -1 1 720.671 5.576 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409102607 1072365188 /nfs/dbraw/zinc/36/51/88/1072365188.db2.gz BIKRVDCBQFZJHA-MLJBDGAYSA-N -1 1 695.020 5.838 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000409329668 1072383440 /nfs/dbraw/zinc/38/34/40/1072383440.db2.gz HICBRSDVCFHQMK-UHFFFAOYSA-N -1 1 604.537 6.180 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000409344576 1072431848 /nfs/dbraw/zinc/43/18/48/1072431848.db2.gz HEDUJEJXSKYHGP-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM COC(=O)COc1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409374180 1072639204 /nfs/dbraw/zinc/63/92/04/1072639204.db2.gz YGIKSUOCGQOEBP-UHFFFAOYSA-N -1 1 524.577 5.227 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Cl)c1O ZINC000409372031 1072647814 /nfs/dbraw/zinc/64/78/14/1072647814.db2.gz KXQCNBJCIKPTHG-UHFFFAOYSA-N -1 1 516.985 6.043 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000409370696 1072652904 /nfs/dbraw/zinc/65/29/04/1072652904.db2.gz DHWQCYWORZNIDG-UHFFFAOYSA-N -1 1 621.137 8.306 40 0 KKABMM Cc1ccc(Cn2cc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)c3ccccc32)cc1 ZINC000409369604 1072657436 /nfs/dbraw/zinc/65/74/36/1072657436.db2.gz QWCHDAWOGLSNLC-UHFFFAOYSA-N -1 1 579.704 7.986 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OC ZINC000409369590 1072657517 /nfs/dbraw/zinc/65/75/17/1072657517.db2.gz QEXPCYHIGATSHZ-UHFFFAOYSA-N -1 1 622.463 6.297 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3ccc(I)cc3)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369645 1072658032 /nfs/dbraw/zinc/65/80/32/1072658032.db2.gz UKRFMEIBJKRSBL-UHFFFAOYSA-N -1 1 691.573 8.283 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409369576 1072658525 /nfs/dbraw/zinc/65/85/25/1072658525.db2.gz POKAEMPPSFHSCH-UHFFFAOYSA-N -1 1 665.588 8.415 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl ZINC000409369187 1072659803 /nfs/dbraw/zinc/65/98/03/1072659803.db2.gz HDFNFNGMHWBORD-UHFFFAOYSA-N -1 1 747.033 8.911 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409369011 1072660338 /nfs/dbraw/zinc/66/03/38/1072660338.db2.gz XBMGGQGJXGQPGC-UHFFFAOYSA-N -1 1 641.555 8.569 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000409368440 1072664313 /nfs/dbraw/zinc/66/43/13/1072664313.db2.gz VUPRSIOAGUEVAT-UHFFFAOYSA-N -1 1 607.110 7.916 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409368041 1072666545 /nfs/dbraw/zinc/66/65/45/1072666545.db2.gz QMCGLEVZYGDNPY-UHFFFAOYSA-N -1 1 781.478 9.564 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000409368070 1072667203 /nfs/dbraw/zinc/66/72/03/1072667203.db2.gz MQXBPWOTFDXYBW-UHFFFAOYSA-N -1 1 577.084 7.907 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000409176490 1072711129 /nfs/dbraw/zinc/71/11/29/1072711129.db2.gz PCHJIPHQEMNRFR-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409173346 1072728622 /nfs/dbraw/zinc/72/86/22/1072728622.db2.gz PFLIMUSJWAOLLC-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409172486 1072734469 /nfs/dbraw/zinc/73/44/69/1072734469.db2.gz JDFJTLBCBDJEEE-SSEXGKCCSA-N -1 1 557.697 5.556 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000409168810 1072753815 /nfs/dbraw/zinc/75/38/15/1072753815.db2.gz UDLAAQORZVPAPW-UHFFFAOYSA-N -1 1 530.955 7.079 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409407265 1072754374 /nfs/dbraw/zinc/75/43/74/1072754374.db2.gz DYWXXAPKLAIQPE-UHFFFAOYSA-N -1 1 575.590 5.559 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c1)CCCC2 ZINC000409406837 1072755579 /nfs/dbraw/zinc/75/55/79/1072755579.db2.gz DETYGBSUOTVEKT-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2C)c1 ZINC000409406783 1072757225 /nfs/dbraw/zinc/75/72/25/1072757225.db2.gz COVVGINADNZHDH-UHFFFAOYSA-N -1 1 517.607 5.188 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409184705 1072775830 /nfs/dbraw/zinc/77/58/30/1072775830.db2.gz ZIEVNAADDTYDRA-UHFFFAOYSA-N -1 1 695.988 5.888 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000409182590 1072788959 /nfs/dbraw/zinc/78/89/59/1072788959.db2.gz MXSPIXUQSUHMTH-HKBQPEDESA-N -1 1 571.724 5.865 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1)S(C)(=O)=O ZINC000409182683 1072789720 /nfs/dbraw/zinc/78/97/20/1072789720.db2.gz NFVWJZMNQPJIGT-UHFFFAOYSA-N -1 1 599.734 6.168 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000409411672 1072793428 /nfs/dbraw/zinc/79/34/28/1072793428.db2.gz YYAFMTYYICDHII-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000409411653 1072793440 /nfs/dbraw/zinc/79/34/40/1072793440.db2.gz YPHVTMGVFYHODI-UHFFFAOYSA-N -1 1 570.328 5.884 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409411542 1072794479 /nfs/dbraw/zinc/79/44/79/1072794479.db2.gz IVWKXUQFAZBXMU-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409411629 1072795522 /nfs/dbraw/zinc/79/55/22/1072795522.db2.gz YEDSGAGHDIOBBK-MHZLTWQESA-N -1 1 601.628 6.126 40 0 KKABMM Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000409411423 1072796098 /nfs/dbraw/zinc/79/60/98/1072796098.db2.gz WNPSSUJWPJFUPZ-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)c1 ZINC000409411273 1072797250 /nfs/dbraw/zinc/79/72/50/1072797250.db2.gz VTMJXSIPLJUDLA-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000409181260 1072798456 /nfs/dbraw/zinc/79/84/56/1072798456.db2.gz AKKJKEGTNUDWNV-UHFFFAOYSA-N -1 1 505.459 5.679 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)ccc2C)c1 ZINC000409410908 1072798830 /nfs/dbraw/zinc/79/88/30/1072798830.db2.gz AGIXVYAQWHZKHY-UHFFFAOYSA-N -1 1 513.619 5.287 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)ccc2C)c(C)c1 ZINC000409410819 1072800545 /nfs/dbraw/zinc/80/05/45/1072800545.db2.gz QPSFMFKGULOPHX-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2C)c1 ZINC000409410804 1072800724 /nfs/dbraw/zinc/80/07/24/1072800724.db2.gz QGOZMTAUGAAILW-JOCHJYFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)c1 ZINC000409180868 1072801882 /nfs/dbraw/zinc/80/18/82/1072801882.db2.gz WPCHHFMQTRNPKJ-JGCGQSQUSA-N -1 1 585.751 6.173 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)cc1 ZINC000409410477 1072803268 /nfs/dbraw/zinc/80/32/68/1072803268.db2.gz NERJVDFXYINPMA-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409410196 1072805030 /nfs/dbraw/zinc/80/50/30/1072805030.db2.gz LCKZJVCVYVJPAU-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1I ZINC000409410452 1072805200 /nfs/dbraw/zinc/80/52/00/1072805200.db2.gz MYYDESUKLLUDSE-UHFFFAOYSA-N -1 1 646.834 5.574 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2C)c1 ZINC000409410197 1072805410 /nfs/dbraw/zinc/80/54/10/1072805410.db2.gz LEKXQUOJLGDBQL-HSZRJFAPSA-N -1 1 541.673 6.156 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)ccc2Cl)cc1C ZINC000409410244 1072805877 /nfs/dbraw/zinc/80/58/77/1072805877.db2.gz LRMHMLJTLGYETE-UHFFFAOYSA-N -1 1 577.109 5.267 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000409410044 1072806884 /nfs/dbraw/zinc/80/68/84/1072806884.db2.gz KRAIGPGZURHZNA-UHFFFAOYSA-N -1 1 706.979 7.609 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409179814 1072807311 /nfs/dbraw/zinc/80/73/11/1072807311.db2.gz VJTVLUIKBXHRJN-UHFFFAOYSA-N -1 1 634.563 6.027 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c(C)c1 ZINC000409409969 1072807422 /nfs/dbraw/zinc/80/74/22/1072807422.db2.gz KHZBDSWSAYUFDN-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000409409902 1072807537 /nfs/dbraw/zinc/80/75/37/1072807537.db2.gz JWLHVQQNJAPEJX-UHFFFAOYSA-N -1 1 590.510 5.628 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1)S(C)(=O)=O ZINC000409179686 1072808702 /nfs/dbraw/zinc/80/87/02/1072808702.db2.gz RPQUDVUDVCPKQA-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)ccc2C)c1C ZINC000409409317 1072810634 /nfs/dbraw/zinc/81/06/34/1072810634.db2.gz HJPGPBBMSQIDKL-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409409406 1072811111 /nfs/dbraw/zinc/81/11/11/1072811111.db2.gz OSYWOPFKDIFLKG-AWEZNQCLSA-N -1 1 576.911 5.241 40 0 KKABMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409409433 1072811587 /nfs/dbraw/zinc/81/15/87/1072811587.db2.gz OYGQAYQTMKHAJN-UHFFFAOYSA-N -1 1 565.673 5.166 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409409251 1072812048 /nfs/dbraw/zinc/81/20/48/1072812048.db2.gz GMCTVZAJQVGDRO-UHFFFAOYSA-N -1 1 676.216 7.384 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)cc2)c1 ZINC000409408938 1072813304 /nfs/dbraw/zinc/81/33/04/1072813304.db2.gz FGNMYSRWLQAIGP-UHFFFAOYSA-N -1 1 621.825 5.977 40 0 KKABMM O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000409178736 1072815594 /nfs/dbraw/zinc/81/55/94/1072815594.db2.gz MXANYUQQXHWJDU-UHFFFAOYSA-N -1 1 536.407 5.002 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2ccccc2)cc1 ZINC000409177829 1072820885 /nfs/dbraw/zinc/82/08/85/1072820885.db2.gz JBAUKYXWVQTIEL-OVVQPSECSA-N -1 1 533.049 6.637 40 0 KKABMM Cc1n[nH]c(SC(=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)C(=O)[O-])n1 ZINC000409194157 1072845585 /nfs/dbraw/zinc/84/55/85/1072845585.db2.gz OKTUWFVWWQHYAJ-PXNMLYILSA-N -1 1 653.667 5.773 40 0 KKABMM Cc1nc(SC(=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)C(=O)[O-])n[nH]1 ZINC000409194157 1072845593 /nfs/dbraw/zinc/84/55/93/1072845593.db2.gz OKTUWFVWWQHYAJ-PXNMLYILSA-N -1 1 653.667 5.773 40 0 KKABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409201017 1072919593 /nfs/dbraw/zinc/91/95/93/1072919593.db2.gz NCQDXNPRHJVSDL-GIDUJCDVSA-N -1 1 546.624 5.246 40 0 KKABMM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)c(Br)c1[O-] ZINC000409247204 1073072211 /nfs/dbraw/zinc/07/22/11/1073072211.db2.gz GUUNXMLYLOZUGC-NTUHNPAUSA-N -1 1 576.650 5.254 40 0 KKABMM CC(C)(C)c1ccc(OCCOc2cc(Br)ccc2-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1 ZINC000409256087 1073163494 /nfs/dbraw/zinc/16/34/94/1073163494.db2.gz NVIRLOMVPQHJHY-UHFFFAOYSA-N -1 1 553.522 7.461 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1cccc(Br)c1 ZINC000409262230 1073223459 /nfs/dbraw/zinc/22/34/59/1073223459.db2.gz FWOCYXMHCGUODC-UHFFFAOYSA-N -1 1 511.397 5.933 40 0 KKABMM CCOc1cc(Br)c(Br)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c1O ZINC000409259429 1073239819 /nfs/dbraw/zinc/23/98/19/1073239819.db2.gz ZCBKCNPITFFJPE-UHFFFAOYSA-N -1 1 500.212 5.572 40 0 KKABMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)n1 ZINC000004391526 552458497 /nfs/dbraw/zinc/45/84/97/552458497.db2.gz GKHANFILUFDRDV-UHFFFAOYSA-N -1 1 520.836 5.100 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCc4ccc(C(C)(C)C)cc4)n3C)cc2)cc1 ZINC000006088909 552531074 /nfs/dbraw/zinc/53/10/74/552531074.db2.gz NMGAFZPXWPMXDZ-UHFFFAOYSA-N -1 1 506.697 6.181 40 0 KKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3[O-])nc2c1 ZINC000008833137 553159569 /nfs/dbraw/zinc/15/95/69/553159569.db2.gz QLMNKHRYPBKGPO-UHFFFAOYSA-N -1 1 516.022 7.257 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)ccc2C)cc1 ZINC000010314175 553332711 /nfs/dbraw/zinc/33/27/11/553332711.db2.gz MROADNPICHFPPQ-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)cc2C)cc1 ZINC000010314352 553332803 /nfs/dbraw/zinc/33/28/03/553332803.db2.gz BQOYBVKHPZXQRF-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2C)cc1 ZINC000010315329 553333301 /nfs/dbraw/zinc/33/33/01/553333301.db2.gz PYOLACIAAYORLU-UHFFFAOYSA-N -1 1 519.022 6.241 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3c(Cl)cccc3Cl)cc2C)cc1 ZINC000010358631 553335227 /nfs/dbraw/zinc/33/52/27/553335227.db2.gz SOAHVHJRLRFSAA-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1C(=O)N1CCCC1 ZINC000013632440 553478758 /nfs/dbraw/zinc/47/87/58/553478758.db2.gz QAQSIMIJAXZXSD-UHFFFAOYSA-N -1 1 517.072 5.678 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2C)cc1 ZINC000013680757 553484348 /nfs/dbraw/zinc/48/43/48/553484348.db2.gz IFVHJVHQRRZWKG-UHFFFAOYSA-N -1 1 517.573 5.085 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)ccc2C)c1 ZINC000014153808 553503623 /nfs/dbraw/zinc/50/36/23/553503623.db2.gz NXWBPJUYZXMTEO-UHFFFAOYSA-N -1 1 528.718 7.205 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)ccc2C)cc1C ZINC000014155403 553505122 /nfs/dbraw/zinc/50/51/22/553505122.db2.gz OVZALPTZQCSECL-UHFFFAOYSA-N -1 1 527.646 5.595 40 0 KKABMM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)ccc2C)cc1Br ZINC000014361171 553514316 /nfs/dbraw/zinc/51/43/16/553514316.db2.gz HNJVZRLDHHPPGH-RCCFBDPRSA-N -1 1 521.477 5.722 40 0 KKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000014396504 553514643 /nfs/dbraw/zinc/51/46/43/553514643.db2.gz GCYDYFVOJWJYLP-UHFFFAOYSA-N -1 1 503.418 5.356 40 0 KKABMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc(C)c1Cl ZINC000014397520 553514828 /nfs/dbraw/zinc/51/48/28/553514828.db2.gz XNRWKHFYEHEHIU-LJQANCHMSA-N -1 1 509.027 6.317 40 0 KKABMM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014397324 553514838 /nfs/dbraw/zinc/51/48/38/553514838.db2.gz LVVDXSONSSEFBE-UHFFFAOYSA-N -1 1 513.830 6.245 40 0 KKABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000014396606 553514873 /nfs/dbraw/zinc/51/48/73/553514873.db2.gz ZHFMRXWFLFSPRQ-UHFFFAOYSA-N -1 1 509.411 5.601 40 0 KKABMM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014400700 553515416 /nfs/dbraw/zinc/51/54/16/553515416.db2.gz KHJHWGPMZHXAHX-QFIPXVFZSA-N -1 1 509.411 5.599 40 0 KKABMM Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)c1 ZINC000016291097 553558821 /nfs/dbraw/zinc/55/88/21/553558821.db2.gz FLGHFYUWENOURM-UHFFFAOYSA-N -1 1 510.015 6.178 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)c(C)c2C ZINC000016779605 553581905 /nfs/dbraw/zinc/58/19/05/553581905.db2.gz YKFXNFKLFMCGRS-UHFFFAOYSA-N -1 1 506.624 5.850 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)c(C)c2C ZINC000016807659 553583445 /nfs/dbraw/zinc/58/34/45/553583445.db2.gz VEPHPVCJPGFBTH-UHFFFAOYSA-N -1 1 527.042 6.195 40 0 KKABMM COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000019325757 553613470 /nfs/dbraw/zinc/61/34/70/553613470.db2.gz ILCPYYGKIGPLQV-UHFFFAOYSA-N -1 1 571.743 6.220 40 0 KKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020455358 553652515 /nfs/dbraw/zinc/65/25/15/553652515.db2.gz QDTFTZDQIXYPOU-QHCPKHFHSA-N -1 1 507.439 6.207 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c(Cl)c1 ZINC000020487861 553659443 /nfs/dbraw/zinc/65/94/43/553659443.db2.gz YGFKWIZYXYYMLK-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020489755 553659993 /nfs/dbraw/zinc/65/99/93/553659993.db2.gz VAJICFYWGJEJPO-UHFFFAOYSA-N -1 1 504.633 5.911 40 0 KKABMM CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183234 553666346 /nfs/dbraw/zinc/66/63/46/553666346.db2.gz TVGNSDOGCLLGGR-AXYDJBGISA-N -1 1 694.953 10.888 40 0 KKABMM CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183234 553666348 /nfs/dbraw/zinc/66/63/48/553666348.db2.gz TVGNSDOGCLLGGR-AXYDJBGISA-N -1 1 694.953 10.888 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2)cc1 ZINC000020038844 553668350 /nfs/dbraw/zinc/66/83/50/553668350.db2.gz CLQVTHYKFUWPMD-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000020046717 553669976 /nfs/dbraw/zinc/66/99/76/553669976.db2.gz HACCOKVIDYQAGG-KRWDZBQOSA-N -1 1 507.439 6.125 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)N1CCCC1 ZINC000020047156 553670269 /nfs/dbraw/zinc/67/02/69/553670269.db2.gz ZSDRGEDPBIHDHE-UHFFFAOYSA-N -1 1 520.651 5.261 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000020107751 553690545 /nfs/dbraw/zinc/69/05/45/553690545.db2.gz DHXFSZUDUQZILQ-UHFFFAOYSA-N -1 1 510.593 5.089 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022110682 553726705 /nfs/dbraw/zinc/72/67/05/553726705.db2.gz IZCBZPXDHXBFHW-UHFFFAOYSA-N -1 1 503.027 6.746 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000022111224 553727143 /nfs/dbraw/zinc/72/71/43/553727143.db2.gz SSNQCHCJKORSOQ-UHFFFAOYSA-N -1 1 500.983 5.740 40 0 KKABMM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022508591 553742689 /nfs/dbraw/zinc/74/26/89/553742689.db2.gz XHSPNARUJKJKKL-OAHLLOKOSA-N -1 1 512.937 5.874 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)NC(C)C ZINC000022511043 553743046 /nfs/dbraw/zinc/74/30/46/553743046.db2.gz QYGWJMCFPKIVGF-UHFFFAOYSA-N -1 1 523.655 5.184 40 0 KKABMM CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)c2)cc1 ZINC000022520857 553744333 /nfs/dbraw/zinc/74/43/33/553744333.db2.gz DYHPLRLBZHCOML-UHFFFAOYSA-N -1 1 512.631 6.268 40 0 KKABMM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(C(C)(C)C)cc(Cl)c3[O-])o2)cc1Cl ZINC000022826963 553753272 /nfs/dbraw/zinc/75/32/72/553753272.db2.gz XUGZEXJHQLJRRZ-CSKARUKUSA-N -1 1 503.451 7.091 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951500 553809391 /nfs/dbraw/zinc/80/93/91/553809391.db2.gz KUJHYLHIHDIPKG-BBTUJRGHSA-N -1 1 517.262 5.496 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C(=O)N1CCCCC1 ZINC000026116187 553816607 /nfs/dbraw/zinc/81/66/07/553816607.db2.gz FZRVYMQEZDGPOG-UHFFFAOYSA-N -1 1 526.749 6.436 40 0 KKABMM CN(C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc21)[P@](=O)([O-])O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000027872331 553836803 /nfs/dbraw/zinc/83/68/03/553836803.db2.gz GNOZQRKYZJSIPZ-UUWRZZSWSA-N -1 1 620.642 6.472 40 0 in-vitro KKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1C ZINC000030868060 553860076 /nfs/dbraw/zinc/86/00/76/553860076.db2.gz YGVSIWWIVZWVDF-KRWDZBQOSA-N -1 1 503.418 5.273 40 0 KKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1C ZINC000030868053 553860090 /nfs/dbraw/zinc/86/00/90/553860090.db2.gz YGVSIWWIVZWVDF-QGZVFWFLSA-N -1 1 503.418 5.273 40 0 KKABMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000097983921 554013241 /nfs/dbraw/zinc/01/32/41/554013241.db2.gz GGMDPSCZEQJNJL-GFOJKBSCSA-N -1 1 615.677 7.943 40 0 KKABMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000097984235 554014990 /nfs/dbraw/zinc/01/49/90/554014990.db2.gz FEIUURSBSRXRLE-AMHQYSOESA-N -1 1 670.143 7.035 40 0 KKABMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 ZINC000097984424 554016567 /nfs/dbraw/zinc/01/65/67/554016567.db2.gz BQWHNOAIHYJWSK-LQMYPEKXSA-N -1 1 739.917 9.103 40 0 KKABMM C[C@@]12C[C@@H](CC(C)(C)C1)N(S(=O)(=O)c1cccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)c1)C2 ZINC000098042979 554123575 /nfs/dbraw/zinc/12/35/75/554123575.db2.gz MTZJYYKFTYNNFC-PIIWDFAUSA-N -1 1 538.691 5.976 40 0 KKABMM CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1[C@@H](O)[C@H](O)C(=O)C=C(O)CC(=O)[O-] ZINC000100070420 554200929 /nfs/dbraw/zinc/20/09/29/554200929.db2.gz UVDUPWCOLXAAMP-VTIYRKAUSA-N -1 1 586.616 5.192 40 0 in-vitro KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)c1 ZINC000100091016 554211125 /nfs/dbraw/zinc/21/11/25/554211125.db2.gz DVCPMJDERKPNIP-HXUWFJFHSA-N -1 1 596.558 5.283 40 0 KKABMM O=c1[nH]c2c(cccc2-c2ccccc2)c(O)c1[C@@H](c1ccc(F)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100249979 554262043 /nfs/dbraw/zinc/26/20/43/554262043.db2.gz BFWHDZSPQLUGPV-SSEXGKCCSA-N -1 1 580.615 7.230 40 0 biogenic,in-vitro KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)cc1 ZINC000044901164 554308705 /nfs/dbraw/zinc/30/87/05/554308705.db2.gz BTSHGJZJBXZPSA-UHFFFAOYSA-N -1 1 504.439 5.065 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)Nc4ccc(C(C)C)cc4)sc3c2)cc1 ZINC000059489653 554398412 /nfs/dbraw/zinc/39/84/12/554398412.db2.gz OXFHZZWKWQEVJZ-UHFFFAOYSA-N -1 1 511.694 6.260 40 0 KKABMM C[C@@H](Sc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1)C(=O)Nc1nccs1 ZINC000059489648 554398488 /nfs/dbraw/zinc/39/84/88/554398488.db2.gz OREKIYRVLWIKCQ-LLVKDONJSA-N -1 1 511.075 5.326 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059691238 554425391 /nfs/dbraw/zinc/42/53/91/554425391.db2.gz CRFHZUCVJJIDJM-IHLOFXLRSA-N -1 1 606.704 6.203 40 0 KKABMM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000059691206 554425542 /nfs/dbraw/zinc/42/55/42/554425542.db2.gz AHLVUUYQHIHCOK-NSOVKSMOSA-N -1 1 569.086 6.680 40 0 KKABMM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000059837269 554442618 /nfs/dbraw/zinc/44/26/18/554442618.db2.gz MRMOSFVXXRTVPR-OAHLLOKOSA-N -1 1 525.479 5.772 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059858297 554455579 /nfs/dbraw/zinc/45/55/79/554455579.db2.gz UWOFHKQZRXDINL-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059882122 554457739 /nfs/dbraw/zinc/45/77/39/554457739.db2.gz ZOCKCWPNZSIAIJ-UHFFFAOYSA-N -1 1 628.172 5.990 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(C)c(C)c2)cc1 ZINC000059882689 554458822 /nfs/dbraw/zinc/45/88/22/554458822.db2.gz LOPSMCKIHOMMQP-UHFFFAOYSA-N -1 1 613.761 6.400 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059882761 554458938 /nfs/dbraw/zinc/45/89/38/554458938.db2.gz KPOYQQFZJCHBTA-UHFFFAOYSA-N -1 1 591.755 5.809 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccccc2)cc1 ZINC000059882828 554459058 /nfs/dbraw/zinc/45/90/58/554459058.db2.gz YZSJCFQDUXMFAL-UHFFFAOYSA-N -1 1 585.707 5.783 40 0 KKABMM O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059883259 554459797 /nfs/dbraw/zinc/45/97/97/554459797.db2.gz XSJGRKWLJXQHMA-UHFFFAOYSA-N -1 1 589.617 5.340 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000059883626 554460811 /nfs/dbraw/zinc/46/08/11/554460811.db2.gz IRLPCHRUAYQNKV-UHFFFAOYSA-N -1 1 604.537 6.013 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000059884004 554461484 /nfs/dbraw/zinc/46/14/84/554461484.db2.gz XMSASKSMJVGCAU-UHFFFAOYSA-N -1 1 590.045 5.181 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059884455 554462466 /nfs/dbraw/zinc/46/24/66/554462466.db2.gz BQKGALNJUBAPIF-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059884436 554462478 /nfs/dbraw/zinc/46/24/78/554462478.db2.gz HIXQSFJZVZXCEC-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000059885213 554464142 /nfs/dbraw/zinc/46/41/42/554464142.db2.gz OGZGRUACJFECHF-UHFFFAOYSA-N -1 1 623.753 5.264 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(F)cc2)cc1 ZINC000059886082 554466074 /nfs/dbraw/zinc/46/60/74/554466074.db2.gz BUTXDMKPIYDHGM-UHFFFAOYSA-N -1 1 603.697 5.922 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000059886292 554466399 /nfs/dbraw/zinc/46/63/99/554466399.db2.gz RNNVKZQORGROLE-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059886883 554467659 /nfs/dbraw/zinc/46/76/59/554467659.db2.gz AEKRLWYNEDUMRQ-UHFFFAOYSA-N -1 1 603.697 5.922 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(C)cc2C)cc1 ZINC000059887074 554467946 /nfs/dbraw/zinc/46/79/46/554467946.db2.gz NWKFDMAQQPJRRB-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887472 554468964 /nfs/dbraw/zinc/46/89/64/554468964.db2.gz UDTMGZSTIOYQIX-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059887706 554469232 /nfs/dbraw/zinc/46/92/32/554469232.db2.gz KTXYQSQZFMNBDN-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059888080 554470420 /nfs/dbraw/zinc/47/04/20/554470420.db2.gz JBPWZBQUZWMFMN-XIFFEERXSA-N -1 1 593.730 6.667 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000059888078 554470431 /nfs/dbraw/zinc/47/04/31/554470431.db2.gz DNBGYEFSVYJIGL-UHFFFAOYSA-N -1 1 571.680 5.475 40 0 KKABMM Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000059888199 554470644 /nfs/dbraw/zinc/47/06/44/554470644.db2.gz SECRTUMBWPQEDO-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059888408 554471035 /nfs/dbraw/zinc/47/10/35/554471035.db2.gz PCPOZMJIDASMLD-UHFFFAOYSA-N -1 1 588.082 5.422 40 0 KKABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059888329 554471076 /nfs/dbraw/zinc/47/10/76/554471076.db2.gz AWIUDECOCSTYIO-UHFFFAOYSA-N -1 1 569.627 5.034 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059888413 554471097 /nfs/dbraw/zinc/47/10/97/554471097.db2.gz MWLKEHKPPFQNKQ-UHFFFAOYSA-N -1 1 599.734 6.091 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000059888560 554471610 /nfs/dbraw/zinc/47/16/10/554471610.db2.gz XSWDNECFRGETAD-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059888790 554471781 /nfs/dbraw/zinc/47/17/81/554471781.db2.gz LUJRCBOGHVIPGY-UHFFFAOYSA-N -1 1 612.173 6.154 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c1 ZINC000059923751 554474157 /nfs/dbraw/zinc/47/41/57/554474157.db2.gz ZQZXCZJIZZRBAV-UHFFFAOYSA-N -1 1 540.685 6.885 40 0 KKABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000060018468 554489643 /nfs/dbraw/zinc/48/96/43/554489643.db2.gz JVTCWYJZQQWJBF-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OCCSc4ccccc4)cc3)cc2)c1 ZINC000060028666 554494667 /nfs/dbraw/zinc/49/46/67/554494667.db2.gz IJSPPBIFAFGLNG-UHFFFAOYSA-N -1 1 532.687 6.528 40 0 KKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060028756 554495290 /nfs/dbraw/zinc/49/52/90/554495290.db2.gz PFSQBRGKMYGREJ-HSZRJFAPSA-N -1 1 540.991 6.573 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)cc1C ZINC000060060019 554498194 /nfs/dbraw/zinc/49/81/94/554498194.db2.gz SZTFPIYNHVINGQ-UHFFFAOYSA-N -1 1 554.712 7.193 40 0 KKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000060060746 554500489 /nfs/dbraw/zinc/50/04/89/554500489.db2.gz FCKNZQRJCPKVJM-NRFANRHFSA-N -1 1 529.898 6.957 40 0 KKABMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccc(Cl)cc1Cl ZINC000100931085 554527606 /nfs/dbraw/zinc/52/76/06/554527606.db2.gz TYRAZIYVFCEZQR-VSGBNLITSA-N -1 1 561.513 7.388 40 0 KKABMM CC(C)(C)c1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000101076321 554577802 /nfs/dbraw/zinc/57/78/02/554577802.db2.gz UTCYUDYBHIVTMJ-KLJDGLGGSA-N -1 1 577.519 6.801 40 0 KKABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101189406 554670241 /nfs/dbraw/zinc/67/02/41/554670241.db2.gz KWKZEBNITZMECM-AYQJTBPPSA-N -1 1 534.612 6.024 40 0 KKABMM O=C([N-]c1nonc1NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000101661978 554822111 /nfs/dbraw/zinc/82/21/11/554822111.db2.gz XTNZSCUAZNKJMI-UHFFFAOYSA-N -1 1 558.255 7.617 40 0 KKABMM O=C(Oc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102564051 554969406 /nfs/dbraw/zinc/96/94/06/554969406.db2.gz NJMUSOJLJZIDAC-PVHODMMVSA-N -1 1 559.405 6.264 40 0 KKABMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)c(C)cc1C)cc2Sc1nc2ccccc2s1 ZINC000102621202 554987161 /nfs/dbraw/zinc/98/71/61/554987161.db2.gz KNTLZIOCKNUJJL-UHFFFAOYSA-N -1 1 536.700 7.431 40 0 KKABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102758713 555050621 /nfs/dbraw/zinc/05/06/21/555050621.db2.gz DMHNEUYLYCQTPN-MJSOWUPRSA-N -1 1 534.612 6.024 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(OCc2ccccc2)ccc2ccccc21 ZINC000103721236 555465009 /nfs/dbraw/zinc/46/50/09/555465009.db2.gz UZQYUNISBHTAIE-UHFFFAOYSA-N -1 1 592.699 7.998 40 0 KKABMM COc1ccc(Br)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000103721208 555465121 /nfs/dbraw/zinc/46/51/21/555465121.db2.gz QTSVVYVPAOMBDW-UHFFFAOYSA-N -1 1 545.437 6.037 40 0 KKABMM CC(C)c1ccc(NC(=O)CSc2nc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3s2)cc1 ZINC000103765371 555472731 /nfs/dbraw/zinc/47/27/31/555472731.db2.gz CTSWNLRIGXRVIC-UHFFFAOYSA-N -1 1 532.112 6.605 40 0 KKABMM O=c1[nH]c2c(cccc2-c2ccccc2)c(O)c1[C@@H](c1cccc(Br)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000150343506 565201040 /nfs/dbraw/zinc/20/10/40/565201040.db2.gz DFWXIEXTXIJSGM-SSEXGKCCSA-N -1 1 641.521 7.853 40 0 biogenic,in-vitro KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cc(Br)ccc1Cl ZINC000104018100 571371347 /nfs/dbraw/zinc/37/13/47/571371347.db2.gz RUVZGGSIVUEJOO-UHFFFAOYSA-N -1 1 534.646 6.462 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(Br)cc1 ZINC000105005385 571389128 /nfs/dbraw/zinc/38/91/28/571389128.db2.gz GWNNRDOZOCOOHH-UHFFFAOYSA-N -1 1 536.256 5.358 40 0 KKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])nc2c1 ZINC000105307276 571394499 /nfs/dbraw/zinc/39/44/99/571394499.db2.gz BGHPANVZULMDCO-IZZDOVSWSA-N -1 1 564.450 7.602 40 0 KKABMM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000105307271 571394538 /nfs/dbraw/zinc/39/45/38/571394538.db2.gz OELKONWEPSQLSL-XYOKQWHBSA-N -1 1 550.423 7.294 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc(I)ccc4Cl)cc3[O-])oc2c1 ZINC000105310340 571395992 /nfs/dbraw/zinc/39/59/92/571395992.db2.gz FKZNCWWUDKOHTJ-UHFFFAOYSA-N -1 1 563.804 5.894 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4I)cc3[O-])oc2c(C)c1 ZINC000105310423 571395999 /nfs/dbraw/zinc/39/59/99/571395999.db2.gz OIZZXBGQVKQKED-UHFFFAOYSA-N -1 1 543.386 5.549 40 0 KKABMM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000105310443 571396040 /nfs/dbraw/zinc/39/60/40/571396040.db2.gz YFIJUJPUDWGJTK-UHFFFAOYSA-N -1 1 526.412 5.715 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Br)ccc4Cl)cc3[O-])nc2c1 ZINC000105310522 571396185 /nfs/dbraw/zinc/39/61/85/571396185.db2.gz CIDLEUHAMBMQTQ-UHFFFAOYSA-N -1 1 530.831 6.306 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3[O-])nc2c1 ZINC000105310586 571396203 /nfs/dbraw/zinc/39/62/03/571396203.db2.gz NZHFBJLSCPUVMJ-UHFFFAOYSA-N -1 1 532.021 7.111 40 0 KKABMM Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)cc(I)c3[O-])C2=O)cc1 ZINC000106783338 571418314 /nfs/dbraw/zinc/41/83/14/571418314.db2.gz IFYYQKAFXUKWBR-SXGWCWSVSA-N -1 1 560.207 5.183 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1 ZINC000108058191 571422129 /nfs/dbraw/zinc/42/21/29/571422129.db2.gz RGLDBJPBAZMGFM-UHFFFAOYSA-N -1 1 593.727 5.864 40 0 KKABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1C ZINC000108096368 571422312 /nfs/dbraw/zinc/42/23/12/571422312.db2.gz GXLLKQFQKWWMLT-QGZVFWFLSA-N -1 1 570.520 5.204 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)ccc2C)c1C ZINC000108324753 571423339 /nfs/dbraw/zinc/42/33/39/571423339.db2.gz JKPZCAJCZUHAKT-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000109139675 571428569 /nfs/dbraw/zinc/42/85/69/571428569.db2.gz ZLLMSKWIRLUADM-UHFFFAOYSA-N -1 1 589.670 5.614 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2)cc1 ZINC000109731383 571430001 /nfs/dbraw/zinc/43/00/01/571430001.db2.gz MHUFIKIDZCAAGW-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)cc2)cc1 ZINC000110240853 571430854 /nfs/dbraw/zinc/43/08/54/571430854.db2.gz HTZABAIROPPVTR-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(-c4nc5ccccc5o4)c([O-])c3)o2)cc1Cl ZINC000112232859 571434398 /nfs/dbraw/zinc/43/43/98/571434398.db2.gz FNRMKZMJTRHELV-JLHYYAGUSA-N -1 1 530.005 6.949 40 0 KKABMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc(C)c1Cl ZINC000112236857 571434642 /nfs/dbraw/zinc/43/46/42/571434642.db2.gz OXZFTPNVKZFXFI-OAHLLOKOSA-N -1 1 561.409 6.836 40 0 KKABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000112236603 571434681 /nfs/dbraw/zinc/43/46/81/571434681.db2.gz IKEKNTOLOZIIAK-UHFFFAOYSA-N -1 1 618.099 5.961 40 0 KKABMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc(C)c1Cl ZINC000112256333 571437614 /nfs/dbraw/zinc/43/76/14/571437614.db2.gz LSGYSMBBXGHAKT-MRXNPFEDSA-N -1 1 526.964 6.182 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)cc2C)cc1 ZINC000113619359 571440875 /nfs/dbraw/zinc/44/08/75/571440875.db2.gz PKNFFTULMLLGPA-UHFFFAOYSA-N -1 1 614.543 5.920 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)c(C)c1 ZINC000113620527 571440996 /nfs/dbraw/zinc/44/09/96/571440996.db2.gz BWFOVRMHJLYKQL-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000139685452 571453410 /nfs/dbraw/zinc/45/34/10/571453410.db2.gz VVLWISGNAUNUDL-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM Cc1cc(I)ccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000139698140 571453577 /nfs/dbraw/zinc/45/35/77/571453577.db2.gz JNDCISZXHCHCPO-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)cc1 ZINC000140365937 571455633 /nfs/dbraw/zinc/45/56/33/571455633.db2.gz AQBKNWMIAYPOQZ-UHFFFAOYSA-N -1 1 540.685 6.885 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000140355484 571455682 /nfs/dbraw/zinc/45/56/82/571455682.db2.gz CATGNYLEBDTSBI-UHFFFAOYSA-N -1 1 553.105 6.873 40 0 KKABMM COc1cc(C)c([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1C(C)C ZINC000223341054 571462942 /nfs/dbraw/zinc/46/29/42/571462942.db2.gz NHJLZJDTWJSPPH-GOSISDBHSA-N -1 1 501.048 6.072 40 0 KKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1C(C)C ZINC000223341475 571463018 /nfs/dbraw/zinc/46/30/18/571463018.db2.gz YCZXLXRJHHQMIA-LJQANCHMSA-N -1 1 515.075 6.381 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000150421489 571487741 /nfs/dbraw/zinc/48/77/41/571487741.db2.gz JDYUDIHYWOLXLJ-UHFFFAOYSA-N -1 1 632.591 6.128 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000150422159 571488028 /nfs/dbraw/zinc/48/80/28/571488028.db2.gz GUFVAGJPOCVMEB-UHFFFAOYSA-N -1 1 635.389 5.742 40 0 KKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)c2)cc1 ZINC000224159311 571488177 /nfs/dbraw/zinc/48/81/77/571488177.db2.gz BVZMSMJXMNHZQE-UHFFFAOYSA-N -1 1 502.636 5.315 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000150422227 571488216 /nfs/dbraw/zinc/48/82/16/571488216.db2.gz XNHZTWHLLUJMFC-SANMLTNESA-N -1 1 652.072 5.755 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000150429021 571492450 /nfs/dbraw/zinc/49/24/50/571492450.db2.gz FCLPXYAAXMPWNP-KRWDZBQOSA-N -1 1 650.528 5.994 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000150429963 571492936 /nfs/dbraw/zinc/49/29/36/571492936.db2.gz UKBIVVBGFFYMQH-INIZCTEOSA-N -1 1 684.973 6.647 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000150429776 571493045 /nfs/dbraw/zinc/49/30/45/571493045.db2.gz NMZUWDWCVVBZPG-UHFFFAOYSA-N -1 1 684.973 6.647 40 0 KKABMM 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CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)c2)cc1 ZINC000225803652 572071670 /nfs/dbraw/zinc/07/16/70/572071670.db2.gz IYXFQOQLOWSKJD-UHFFFAOYSA-N -1 1 606.169 7.115 40 0 KKABMM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)c2)cs1 ZINC000226080942 572130618 /nfs/dbraw/zinc/13/06/18/572130618.db2.gz ZKVVPIXMOVRXCF-UHFFFAOYSA-N -1 1 593.514 5.986 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cc(Cl)ccc1Cl ZINC000408535331 572188330 /nfs/dbraw/zinc/18/83/30/572188330.db2.gz VYITWYXCXCUJRH-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000238950189 572189422 /nfs/dbraw/zinc/18/94/22/572189422.db2.gz WXIZXILJEQMMHV-GYEZETPSSA-N -1 1 680.926 10.498 40 0 KKABMM CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000238950189 572189427 /nfs/dbraw/zinc/18/94/27/572189427.db2.gz WXIZXILJEQMMHV-GYEZETPSSA-N -1 1 680.926 10.498 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)c(OC)c1 ZINC000408542766 572211205 /nfs/dbraw/zinc/21/12/05/572211205.db2.gz AIVVXSSLHUOTSC-UHFFFAOYSA-N -1 1 616.117 5.520 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1I ZINC000408543356 572212670 /nfs/dbraw/zinc/21/26/70/572212670.db2.gz CYRILADRYMUCEJ-UHFFFAOYSA-N -1 1 594.452 5.055 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000408544675 572216168 /nfs/dbraw/zinc/21/61/68/572216168.db2.gz ILFPCRWOWYXKBS-UHFFFAOYSA-N -1 1 654.597 7.090 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000408544705 572216307 /nfs/dbraw/zinc/21/63/07/572216307.db2.gz IWHTZQKLZYOJNL-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408546078 572221595 /nfs/dbraw/zinc/22/15/95/572221595.db2.gz QIIVVPHNHWTIPU-MHZLTWQESA-N -1 1 568.076 5.760 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)ccc2C)c(C)c1 ZINC000408546595 572223722 /nfs/dbraw/zinc/22/37/22/572223722.db2.gz FNJIYBDPNDJQCT-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408546958 572224536 /nfs/dbraw/zinc/22/45/36/572224536.db2.gz HXBRASPBONOJLT-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)cc2)cc1 ZINC000408546904 572224662 /nfs/dbraw/zinc/22/46/62/572224662.db2.gz WUESLFWSHPLQGD-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408547527 572225585 /nfs/dbraw/zinc/22/55/85/572225585.db2.gz ZGYAIVAEWNAIMW-UHFFFAOYSA-N -1 1 661.768 6.379 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)ccc2C)c1 ZINC000408547541 572226358 /nfs/dbraw/zinc/22/63/58/572226358.db2.gz ZNCPJLBEXLUBEG-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2)cc1 ZINC000408547638 572226368 /nfs/dbraw/zinc/22/63/68/572226368.db2.gz KMMOJGCAUJUKSA-UHFFFAOYSA-N -1 1 600.118 5.535 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000408547534 572226393 /nfs/dbraw/zinc/22/63/93/572226393.db2.gz ZJKUIBSDIZUPOZ-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408547689 572226746 /nfs/dbraw/zinc/22/67/46/572226746.db2.gz LJKMLMBCRLXWDC-UHFFFAOYSA-N -1 1 682.607 7.421 40 0 KKABMM O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408549038 572230834 /nfs/dbraw/zinc/23/08/34/572230834.db2.gz VYOWTKGDOKBZLB-UHFFFAOYSA-N -1 1 659.400 6.935 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)c(OC)c1 ZINC000408549049 572231048 /nfs/dbraw/zinc/23/10/48/572231048.db2.gz WDLOFQZHEMQNPM-UHFFFAOYSA-N -1 1 630.144 5.828 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408549531 572232169 /nfs/dbraw/zinc/23/21/69/572232169.db2.gz ZNDIXXDVGNCUQN-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408550166 572233379 /nfs/dbraw/zinc/23/33/79/572233379.db2.gz AQTHWCOLZXETNV-UHFFFAOYSA-N -1 1 507.439 6.244 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557992 572245387 /nfs/dbraw/zinc/24/53/87/572245387.db2.gz POJMCGZXXKFUGG-UHFFFAOYSA-N -1 1 577.227 5.660 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000408560273 572247474 /nfs/dbraw/zinc/24/74/74/572247474.db2.gz OEKQSOJBHYCBHH-UHFFFAOYSA-N -1 1 543.428 6.604 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1Br ZINC000408590033 572267605 /nfs/dbraw/zinc/26/76/05/572267605.db2.gz ISBFKGWYGMUOGW-UHFFFAOYSA-N -1 1 563.779 5.940 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc21 ZINC000408590945 572267981 /nfs/dbraw/zinc/26/79/81/572267981.db2.gz ICIHGDFGRTWDNB-UHFFFAOYSA-N -1 1 568.482 6.940 40 0 KKABMM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408591943 572268384 /nfs/dbraw/zinc/26/83/84/572268384.db2.gz MJRJYWFDMITRGY-UHFFFAOYSA-N -1 1 526.964 6.301 40 0 KKABMM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(Cl)c4)cc3)CC2)c1C ZINC000408591709 572268398 /nfs/dbraw/zinc/26/83/98/572268398.db2.gz JZOWYRCSBULIQH-UHFFFAOYSA-N -1 1 548.492 5.139 40 0 KKABMM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408593187 572269085 /nfs/dbraw/zinc/26/90/85/572269085.db2.gz PLGCJXLQIGSRCT-UHFFFAOYSA-N -1 1 512.937 5.740 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000408593392 572269191 /nfs/dbraw/zinc/26/91/91/572269191.db2.gz QDIRRRMTBOZPEB-UHFFFAOYSA-N -1 1 507.011 5.425 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 ZINC000408593766 572269338 /nfs/dbraw/zinc/26/93/38/572269338.db2.gz NKEIKKZFULEEKQ-UHFFFAOYSA-N -1 1 531.600 5.096 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccc(Cl)cc4)c3)ccc21 ZINC000408597973 572271770 /nfs/dbraw/zinc/27/17/70/572271770.db2.gz XBPXTAUENBLKQO-UHFFFAOYSA-N -1 1 534.037 6.530 40 0 KKABMM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408600837 572272699 /nfs/dbraw/zinc/27/26/99/572272699.db2.gz CTBQKVOAIHRTQT-UHFFFAOYSA-N -1 1 530.977 5.899 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000408601758 572273051 /nfs/dbraw/zinc/27/30/51/572273051.db2.gz HDEVRESMMAKXTD-UHFFFAOYSA-N -1 1 576.980 6.969 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408603403 572273649 /nfs/dbraw/zinc/27/36/49/572273649.db2.gz JPTCCBBFYSTSHX-UHFFFAOYSA-N -1 1 587.325 6.849 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408607780 572275274 /nfs/dbraw/zinc/27/52/74/572275274.db2.gz QJARALAZFQCBRG-UHFFFAOYSA-N -1 1 611.425 7.623 40 0 KKABMM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c(OC)cc1Cl ZINC000408607833 572275281 /nfs/dbraw/zinc/27/52/81/572275281.db2.gz QOAAJCVZGCWRMH-UHFFFAOYSA-N -1 1 579.380 5.848 40 0 KKABMM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408607923 572275310 /nfs/dbraw/zinc/27/53/10/572275310.db2.gz RANBEUTXUCHIAC-UHFFFAOYSA-N -1 1 514.909 5.186 40 0 KKABMM Cc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408608861 572275589 /nfs/dbraw/zinc/27/55/89/572275589.db2.gz QBBXSILDIBFOOS-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(F)cc1 ZINC000408610056 572275991 /nfs/dbraw/zinc/27/59/91/572275991.db2.gz UTEBTHJLWQASST-UHFFFAOYSA-N -1 1 502.873 5.316 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2C)c(C)c1 ZINC000408619939 572280805 /nfs/dbraw/zinc/28/08/05/572280805.db2.gz OUCSAFAACXXIFJ-UHFFFAOYSA-N -1 1 533.049 6.549 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)ccc21 ZINC000408626318 572283798 /nfs/dbraw/zinc/28/37/98/572283798.db2.gz WLFRQRVKHCDPKV-UHFFFAOYSA-N -1 1 511.647 6.793 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4cccc(Cl)c4)cc3)C(=O)[O-])n2)c1 ZINC000408630748 572286542 /nfs/dbraw/zinc/28/65/42/572286542.db2.gz ATSIXVONBNBRIF-KSEXSDGBSA-N -1 1 523.998 5.939 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408631250 572287285 /nfs/dbraw/zinc/28/72/85/572287285.db2.gz HBNKBLGFCVYLHX-CFRMEGHHSA-N -1 1 572.470 6.983 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])n1 ZINC000408631585 572287731 /nfs/dbraw/zinc/28/77/31/572287731.db2.gz KMJXOXAZHHHOAA-QFEZKATASA-N -1 1 565.482 7.316 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)[O-])n1 ZINC000408631672 572287856 /nfs/dbraw/zinc/28/78/56/572287856.db2.gz LDMLPZXQTFZWSJ-WQRHYEAKSA-N -1 1 525.999 5.972 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])n1 ZINC000408631816 572287998 /nfs/dbraw/zinc/28/79/98/572287998.db2.gz LWSYYZSZXJOUSM-UUYOSTAYSA-N -1 1 649.894 6.544 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(OC)c(OCc3ccccc3)cc2Br)C(=O)[O-])n1 ZINC000408632535 572288987 /nfs/dbraw/zinc/28/89/87/572288987.db2.gz JMTPUBAFEQDLER-KSEXSDGBSA-N -1 1 602.894 6.702 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C(=O)[O-])n2)c1 ZINC000408632713 572289096 /nfs/dbraw/zinc/28/90/96/572289096.db2.gz JTMYVRADBLNQMN-KSEXSDGBSA-N -1 1 568.449 6.048 40 0 KKABMM COc1c(Br)cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1Br ZINC000408632952 572289537 /nfs/dbraw/zinc/28/95/37/572289537.db2.gz HZEPIHOJFZZKAW-ZSOIEALJSA-N -1 1 545.640 5.877 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408632955 572289544 /nfs/dbraw/zinc/28/95/44/572289544.db2.gz HZXHUUKCHUEOIM-MYYYXRDXSA-N -1 1 622.928 7.846 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408633096 572289720 /nfs/dbraw/zinc/28/97/20/572289720.db2.gz LMEBSBUZWPQFNL-MXAYSNPKSA-N -1 1 547.036 6.363 40 0 KKABMM CCOc1c(Br)cc(Br)cc1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000408633327 572289938 /nfs/dbraw/zinc/28/99/38/572289938.db2.gz JXSXFLQYTYIKNV-NVNXTCNLSA-N -1 1 559.667 6.267 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(OC)c(OC)c2)C(=O)[O-])n1 ZINC000408633323 572289920 /nfs/dbraw/zinc/28/99/20/572289920.db2.gz XRUOLLLVIMKMLG-PXNMLYILSA-N -1 1 526.796 5.131 40 0 KKABMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccccc1F ZINC000408633254 572289923 /nfs/dbraw/zinc/28/99/23/572289923.db2.gz JKYZRTXTYGGDEE-OYKKKHCWSA-N -1 1 519.001 6.793 40 0 KKABMM O=C([O-])C(=Cc1cccn1-c1ccc(Br)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633300 572289958 /nfs/dbraw/zinc/28/99/58/572289958.db2.gz JUUBZIMLVNYBEW-PDGQHHTCSA-N -1 1 501.793 5.896 40 0 KKABMM Cc1ccc(COc2ccc(Br)cc2C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1 ZINC000408633580 572290304 /nfs/dbraw/zinc/29/03/04/572290304.db2.gz KQSJSMVWVZUTSC-XKZIYDEJSA-N -1 1 556.869 6.993 40 0 KKABMM O=C([O-])C(=Cc1cc(Br)c(I)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633942 572290873 /nfs/dbraw/zinc/29/08/73/572290873.db2.gz OAKQQJFJHGSDTH-WDZFZDKYSA-N -1 1 552.575 5.303 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)ccc3OCc3ccccc3Cl)C(=O)[O-])n2)c1 ZINC000408633807 572290624 /nfs/dbraw/zinc/29/06/24/572290624.db2.gz PQVWPTMKQYZVHD-FMCGGJTJSA-N -1 1 558.443 6.593 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C ZINC000408633747 572290644 /nfs/dbraw/zinc/29/06/44/572290644.db2.gz LYWXFRYBFKVURV-YSMPRRRNSA-N -1 1 550.080 7.246 40 0 KKABMM O=C([O-])C(=Cc1cccc(OCc2cccc3ccccc32)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633865 572290700 /nfs/dbraw/zinc/29/07/00/572290700.db2.gz MPLHMAXJTLXSBD-XYGWBWBKSA-N -1 1 514.006 7.075 40 0 KKABMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccccc1Cl ZINC000408633904 572290702 /nfs/dbraw/zinc/29/07/02/572290702.db2.gz NCNOZPJAQIZVMD-OYKKKHCWSA-N -1 1 535.456 7.308 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c4cccc(OC)c4[nH]c3-c3ccccc3)C(=O)[O-])n2)c1 ZINC000408634191 572291056 /nfs/dbraw/zinc/29/10/56/572291056.db2.gz RWQJMGJQAYQVMZ-HAHDFKILSA-N -1 1 528.590 5.864 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccn3-c3ccc(Br)cc3)C(=O)[O-])n2)c1 ZINC000408634290 572291202 /nfs/dbraw/zinc/29/12/02/572291202.db2.gz TXTAUWKWLBQCAE-NDENLUEZSA-N -1 1 527.400 5.260 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccccc4)c(Br)c3)C(=O)[O-])n2)c1 ZINC000408634278 572291242 /nfs/dbraw/zinc/29/12/42/572291242.db2.gz TUDSRLDZBWMTHV-KSEXSDGBSA-N -1 1 568.449 6.048 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(I)c1OCc1ccccc1 ZINC000408634604 572291602 /nfs/dbraw/zinc/29/16/02/572291602.db2.gz SGGMFDGKFLGOBE-BKUYFWCQSA-N -1 1 619.868 6.535 40 0 KKABMM O=C([O-])C(=Cc1cc(I)c(O)c(I)c1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000408634780 572291819 /nfs/dbraw/zinc/29/18/19/572291819.db2.gz ULHGLNKOULHYLE-QPEQYQDCSA-N -1 1 625.613 5.258 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000408635200 572292326 /nfs/dbraw/zinc/29/23/26/572292326.db2.gz YAPYGLVPZPLYMK-MTJSOVHGSA-N -1 1 607.313 7.346 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=O)[O-])n2)c1 ZINC000408635282 572292433 /nfs/dbraw/zinc/29/24/33/572292433.db2.gz ZVBJLCOWQSDTBS-VROXFSQNSA-N -1 1 533.562 5.014 40 0 KKABMM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000408636056 572292920 /nfs/dbraw/zinc/29/29/20/572292920.db2.gz KUHXRMIIKALNSY-UHFFFAOYSA-N -1 1 507.439 6.154 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1c(Cl)cccc1Cl ZINC000408635954 572292930 /nfs/dbraw/zinc/29/29/30/572292930.db2.gz KIYFXTWFKRVKOY-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc21 ZINC000408636643 572293551 /nfs/dbraw/zinc/29/35/51/572293551.db2.gz SAQHAAKFHIMERI-UHFFFAOYSA-N -1 1 551.590 7.195 40 0 KKABMM O=C([N-]N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccccc1Cl ZINC000408647580 572300587 /nfs/dbraw/zinc/30/05/87/572300587.db2.gz JMKYBQZDUWTBBD-UHFFFAOYSA-N -1 1 616.285 5.331 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000408677154 572318926 /nfs/dbraw/zinc/31/89/26/572318926.db2.gz AMYTYRWPQUEQJG-UHFFFAOYSA-N -1 1 608.085 5.261 40 0 KKABMM CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408677324 572319040 /nfs/dbraw/zinc/31/90/40/572319040.db2.gz BRPUDTJLVHXUCC-UHFFFAOYSA-N -1 1 505.459 6.003 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000408677297 572319076 /nfs/dbraw/zinc/31/90/76/572319076.db2.gz BHBHLWOETHAYJD-UHFFFAOYSA-N -1 1 598.146 5.475 40 0 KKABMM CCCOC(=O)c1cc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)ccc1Cl ZINC000108423099 1069717644 /nfs/dbraw/zinc/71/76/44/1069717644.db2.gz ZDBAGOQLULYKFJ-UHFFFAOYSA-N -1 1 623.109 7.746 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(I)c1 ZINC000108423158 1069718324 /nfs/dbraw/zinc/71/83/24/1069718324.db2.gz IPIRVIQUQYNYMY-UHFFFAOYSA-N -1 1 562.411 5.871 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(O)ccc2ccccc21 ZINC000108423149 1069718659 /nfs/dbraw/zinc/71/86/59/1069718659.db2.gz GNXRLYLAGCAXII-UHFFFAOYSA-N -1 1 502.574 6.125 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCC(C)C ZINC000108423273 1069719059 /nfs/dbraw/zinc/71/90/59/1069719059.db2.gz ZDWSSMGMJVMXJT-UHFFFAOYSA-N -1 1 552.675 6.700 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1cccs1 ZINC000108423291 1069720356 /nfs/dbraw/zinc/72/03/56/1069720356.db2.gz TZTABBMEIZBJKQ-UHFFFAOYSA-N -1 1 606.704 6.946 40 0 KKABMM COc1ccc(Cl)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423339 1069720370 /nfs/dbraw/zinc/72/03/70/1069720370.db2.gz VRRVXMULTYRYEI-UHFFFAOYSA-N -1 1 500.986 5.928 40 0 KKABMM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)c2)CC1 ZINC000408700492 1069734330 /nfs/dbraw/zinc/73/43/30/1069734330.db2.gz GWCKHUQWNWBGPL-UHFFFAOYSA-N -1 1 626.982 5.576 40 0 KKABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000408706239 1069734760 /nfs/dbraw/zinc/73/47/60/1069734760.db2.gz YJTUUWOTVFHLHX-UHFFFAOYSA-N -1 1 594.553 5.052 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408705140 1069734832 /nfs/dbraw/zinc/73/48/32/1069734832.db2.gz YSELCQAOXOWJPA-LJAQVGFWSA-N -1 1 646.112 7.186 40 0 KKABMM Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2cc(Br)cc(I)c2[O-])S1 ZINC000408798532 1069932932 /nfs/dbraw/zinc/93/29/32/1069932932.db2.gz FXCORVTZSWUJLN-UHFFFAOYSA-N -1 1 550.623 5.484 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000408921107 1070228363 /nfs/dbraw/zinc/22/83/63/1070228363.db2.gz SLWHXVGAELBLGJ-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408922282 1070229542 /nfs/dbraw/zinc/22/95/42/1070229542.db2.gz YYVWVHANHTUZPZ-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408922331 1070236036 /nfs/dbraw/zinc/23/60/36/1070236036.db2.gz ZILDPFCBZQWHIW-UHFFFAOYSA-N -1 1 669.406 6.391 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408926105 1070237957 /nfs/dbraw/zinc/23/79/57/1070237957.db2.gz OQWGECPZXMTSKC-UHFFFAOYSA-N -1 1 663.696 5.666 40 0 KKABMM O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408922487 1070240181 /nfs/dbraw/zinc/24/01/81/1070240181.db2.gz BGZFMXQZWOIYLU-UHFFFAOYSA-N -1 1 679.412 5.846 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(C)cc2)cc1 ZINC000408923461 1070240520 /nfs/dbraw/zinc/24/05/20/1070240520.db2.gz CTROXTGQKZCEPX-UHFFFAOYSA-N -1 1 629.760 6.182 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408924305 1070242256 /nfs/dbraw/zinc/24/22/56/1070242256.db2.gz GOQXDIBVVMSJIT-GDLZYMKVSA-N -1 1 611.667 6.533 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408927615 1070247497 /nfs/dbraw/zinc/24/74/97/1070247497.db2.gz YIXUSCQOXZBGSS-UHFFFAOYSA-N -1 1 628.570 5.701 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCC(=O)Nc1ccccc1Cl ZINC000408998545 1070373101 /nfs/dbraw/zinc/37/31/01/1070373101.db2.gz BHSJUROQDLFVGC-UHFFFAOYSA-N -1 1 524.042 6.402 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409373207 1070895979 /nfs/dbraw/zinc/89/59/79/1070895979.db2.gz SGBREFOZECPWOV-UHFFFAOYSA-N -1 1 611.529 8.561 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c(OC)c1OC ZINC000409411068 1070921559 /nfs/dbraw/zinc/92/15/59/1070921559.db2.gz TWWIFXILDPJSSR-LDADJPATSA-N -1 1 518.591 5.318 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408926405 1071073143 /nfs/dbraw/zinc/07/31/43/1071073143.db2.gz STMREHGZSLGTSP-UHFFFAOYSA-N -1 1 577.049 7.704 40 0 KKABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408925212 1071078808 /nfs/dbraw/zinc/07/88/08/1071078808.db2.gz LCVQXZLHEKULLJ-UHFFFAOYSA-N -1 1 590.045 5.181 40 0 KKABMM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408925211 1071078971 /nfs/dbraw/zinc/07/89/71/1071078971.db2.gz NPPDQFPKFKUPOZ-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000408924287 1071084354 /nfs/dbraw/zinc/08/43/54/1071084354.db2.gz FXKCEWVBYLJOGI-UHFFFAOYSA-N -1 1 686.561 7.264 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000408923441 1071086909 /nfs/dbraw/zinc/08/69/09/1071086909.db2.gz CQNJTVGYZXZPAL-UHFFFAOYSA-N -1 1 700.160 7.807 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc(Br)c1 ZINC000408923318 1071087680 /nfs/dbraw/zinc/08/76/80/1071087680.db2.gz BOPDRYGCNFBIDM-UHFFFAOYSA-N -1 1 640.887 5.327 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cccc(C)c2)cc1 ZINC000408923251 1071089103 /nfs/dbraw/zinc/08/91/03/1071089103.db2.gz GPPFKDFBAVMYPV-UHFFFAOYSA-N -1 1 599.734 6.091 40 0 KKABMM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000408922342 1071091883 /nfs/dbraw/zinc/09/18/83/1071091883.db2.gz ZLWJLKJWJJAEGC-INIZCTEOSA-N -1 1 620.071 5.352 40 0 KKABMM Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000408921698 1071094179 /nfs/dbraw/zinc/09/41/79/1071094179.db2.gz VEOZOKZNQMUONW-UHFFFAOYSA-N -1 1 666.143 6.995 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000408681879 1071373182 /nfs/dbraw/zinc/37/31/82/1071373182.db2.gz UYPMXMVYPCNNAZ-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c(C)c1 ZINC000408695513 1071382923 /nfs/dbraw/zinc/38/29/23/1071382923.db2.gz VRXXRFAWWHONTF-QGZVFWFLSA-N -1 1 503.418 5.273 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OCC ZINC000408695573 1071383604 /nfs/dbraw/zinc/38/36/04/1071383604.db2.gz WKNTYASRQVFFGL-UHFFFAOYSA-N -1 1 525.048 5.047 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000408695229 1071384283 /nfs/dbraw/zinc/38/42/83/1071384283.db2.gz OLJIOPYXQOSNPL-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408695222 1071384602 /nfs/dbraw/zinc/38/46/02/1071384602.db2.gz OGLRMULNDNOBBK-OAQYLSRUSA-N -1 1 512.937 5.956 40 0 KKABMM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408695221 1071384646 /nfs/dbraw/zinc/38/46/46/1071384646.db2.gz OGLRMULNDNOBBK-NRFANRHFSA-N -1 1 512.937 5.956 40 0 KKABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000408695183 1071385167 /nfs/dbraw/zinc/38/51/67/1071385167.db2.gz MJXWVZBYBNECNA-UHFFFAOYSA-N -1 1 614.598 5.556 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000408694532 1071387182 /nfs/dbraw/zinc/38/71/82/1071387182.db2.gz JDAFXVHQYKQIDR-UHFFFAOYSA-N -1 1 624.490 5.998 40 0 KKABMM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)CC2)c1 ZINC000408694373 1071387991 /nfs/dbraw/zinc/38/79/91/1071387991.db2.gz DREZBUPFIRVWTJ-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408693460 1071391588 /nfs/dbraw/zinc/39/15/88/1071391588.db2.gz VOIMIHJACTVOQC-UHFFFAOYSA-N -1 1 598.530 5.230 40 0 KKABMM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000408693866 1071390327 /nfs/dbraw/zinc/39/03/27/1071390327.db2.gz ABWQCVSXKIXMOO-UHFFFAOYSA-N -1 1 630.110 5.649 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693503 1071390939 /nfs/dbraw/zinc/39/09/39/1071390939.db2.gz XQCWCEBMEHQWPO-UHFFFAOYSA-N -1 1 593.727 5.466 40 0 KKABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000408706140 1071432966 /nfs/dbraw/zinc/43/29/66/1071432966.db2.gz VYCQNACENKAFMH-UHFFFAOYSA-N -1 1 584.547 5.596 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000408704946 1071437140 /nfs/dbraw/zinc/43/71/40/1071437140.db2.gz WAYCBLIGUIQSHY-PMERELPUSA-N -1 1 626.587 7.129 40 0 KKABMM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408704800 1071437670 /nfs/dbraw/zinc/43/76/70/1071437670.db2.gz TULUVTSXGMEVIU-UHFFFAOYSA-N -1 1 589.617 5.587 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704791 1071437717 /nfs/dbraw/zinc/43/77/17/1071437717.db2.gz SXYNWMQPXGWJRW-GDLZYMKVSA-N -1 1 578.115 6.167 40 0 KKABMM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408704013 1071441228 /nfs/dbraw/zinc/44/12/28/1071441228.db2.gz IJPUKGBIYAVYNB-UHFFFAOYSA-N -1 1 556.065 5.222 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2)cc1 ZINC000408703875 1071442096 /nfs/dbraw/zinc/44/20/96/1071442096.db2.gz UXCZCZNKVQRCNX-UHFFFAOYSA-N -1 1 636.604 6.594 40 0 KKABMM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)c2)CC1 ZINC000408704165 1071440424 /nfs/dbraw/zinc/44/04/24/1071440424.db2.gz YCZBOBRTQJMIMV-UHFFFAOYSA-N -1 1 582.531 5.467 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1 ZINC000408701609 1071451461 /nfs/dbraw/zinc/45/14/61/1071451461.db2.gz BAJNPBDBNDVXTK-UHFFFAOYSA-N -1 1 562.113 5.122 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408701831 1071450047 /nfs/dbraw/zinc/45/00/47/1071450047.db2.gz GTABEDOFFYMIOL-UHFFFAOYSA-N -1 1 582.531 5.530 40 0 KKABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408701316 1071452915 /nfs/dbraw/zinc/45/29/15/1071452915.db2.gz WDKKGEQMNHATFH-UHFFFAOYSA-N -1 1 630.213 6.639 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408700973 1071453839 /nfs/dbraw/zinc/45/38/39/1071453839.db2.gz PKQZGGKVDUJDSM-UHFFFAOYSA-N -1 1 568.504 5.139 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408701029 1071453913 /nfs/dbraw/zinc/45/39/13/1071453913.db2.gz QHNANULPCWOZRV-UHFFFAOYSA-N -1 1 579.700 5.076 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408700940 1071453968 /nfs/dbraw/zinc/45/39/68/1071453968.db2.gz ORSHDHDNEOPURS-UHFFFAOYSA-N -1 1 562.113 5.122 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000408700057 1071456032 /nfs/dbraw/zinc/45/60/32/1071456032.db2.gz ALJZWFREORSLOM-UHFFFAOYSA-N -1 1 576.140 5.575 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714992 1071470929 /nfs/dbraw/zinc/47/09/29/1071470929.db2.gz UGKJRYYYALSAOZ-UHFFFAOYSA-N -1 1 594.180 5.598 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715060 1071472659 /nfs/dbraw/zinc/47/26/59/1071472659.db2.gz ZOFSWPWDCZNTEB-UHFFFAOYSA-N -1 1 608.207 5.844 40 0 KKABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000408712540 1071481841 /nfs/dbraw/zinc/48/18/41/1071481841.db2.gz HYSBWKSAZONFJW-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1SCc1ccccc1 ZINC000408712300 1071483365 /nfs/dbraw/zinc/48/33/65/1071483365.db2.gz JEUZOJVAWOWVLU-UHFFFAOYSA-N -1 1 542.604 7.051 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1)c1cccc(Cl)c1Cl ZINC000408712307 1071483385 /nfs/dbraw/zinc/48/33/85/1071483385.db2.gz KLYHAVLCIDJPBG-UHFFFAOYSA-N -1 1 654.597 7.166 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000408712165 1071487256 /nfs/dbraw/zinc/48/72/56/1071487256.db2.gz KKZKZXOWOHDHBU-UHFFFAOYSA-N -1 1 706.979 7.685 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)cc2)cc1Cl ZINC000408712276 1071489342 /nfs/dbraw/zinc/48/93/42/1071489342.db2.gz GNJXNOFFXLUWIR-UHFFFAOYSA-N -1 1 602.109 5.807 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)c2)cc1 ZINC000408712129 1071490358 /nfs/dbraw/zinc/49/03/58/1071490358.db2.gz AFGWKDBISLIIBZ-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1C ZINC000408711329 1071497367 /nfs/dbraw/zinc/49/73/67/1071497367.db2.gz IUFRQWTXTCWSIK-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000408711454 1071493161 /nfs/dbraw/zinc/49/31/61/1071493161.db2.gz YNNUPCSLUWESPG-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)cc1 ZINC000408711461 1071493194 /nfs/dbraw/zinc/49/31/94/1071493194.db2.gz YYJFMNZDJLNSPS-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)cc1Cl ZINC000408711476 1071493246 /nfs/dbraw/zinc/49/32/46/1071493246.db2.gz MGNZUHURWNWGSF-UHFFFAOYSA-N -1 1 564.129 5.151 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408711460 1071493344 /nfs/dbraw/zinc/49/33/44/1071493344.db2.gz YVOLRIIMSXBJCS-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4c(Cl)cccc4Cl)S(C)(=O)=O)cc3)cc2)cc1Cl ZINC000408711518 1071493978 /nfs/dbraw/zinc/49/39/78/1071493978.db2.gz ROIKMVJSBZNKOY-UHFFFAOYSA-N -1 1 653.009 6.975 40 0 KKABMM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000408711293 1071496377 /nfs/dbraw/zinc/49/63/77/1071496377.db2.gz FDRMNBJBBRMCPH-LJQANCHMSA-N -1 1 572.108 5.396 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000408711313 1071496419 /nfs/dbraw/zinc/49/64/19/1071496419.db2.gz HBQMDFULGLALPC-UHFFFAOYSA-N -1 1 564.129 5.151 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000408711390 1071498799 /nfs/dbraw/zinc/49/87/99/1071498799.db2.gz RBUCCENJBQZTAI-UHFFFAOYSA-N -1 1 588.082 5.498 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000408711387 1071498878 /nfs/dbraw/zinc/49/88/78/1071498878.db2.gz QSLOXZQUBXJQHX-UHFFFAOYSA-N -1 1 604.537 6.013 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)c2)cc1 ZINC000408711385 1071498907 /nfs/dbraw/zinc/49/89/07/1071498907.db2.gz QIUQMHOONJBCCN-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)c2C)cc1 ZINC000408711149 1071499683 /nfs/dbraw/zinc/49/96/83/1071499683.db2.gz UTPBIMHTGRIQJB-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000408711226 1071501659 /nfs/dbraw/zinc/50/16/59/1071501659.db2.gz JMNDZXTZLAGRFS-UHFFFAOYSA-N -1 1 673.427 7.320 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408711218 1071501833 /nfs/dbraw/zinc/50/18/33/1071501833.db2.gz IYIKWLRGETUEFN-UHFFFAOYSA-N -1 1 610.035 6.213 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1)c1cccc(Cl)c1 ZINC000408711107 1071505275 /nfs/dbraw/zinc/50/52/75/1071505275.db2.gz FNTAQPDPZCRUQO-UHFFFAOYSA-N -1 1 604.537 6.013 40 0 KKABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408726283 1071513429 /nfs/dbraw/zinc/51/34/29/1071513429.db2.gz MVYKGRHIJKUZSI-FAUWUSJQSA-N -1 1 705.368 5.033 40 0 KKABMM CCCCCCO[C@@H]1C=CC=C[C@@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408736949 1071554600 /nfs/dbraw/zinc/55/46/00/1071554600.db2.gz FCAHGESHPRPTJC-WUFINQPMSA-N -1 1 538.692 6.926 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408992333 1071572222 /nfs/dbraw/zinc/57/22/22/1071572222.db2.gz ADKCHRRHPWRYMY-GLSAMTQTSA-N -1 1 717.379 5.017 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409001460 1071645554 /nfs/dbraw/zinc/64/55/54/1071645554.db2.gz WAPALBSCFXTTHT-LKWZWFHSSA-N -1 1 776.434 5.974 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409000543 1071649348 /nfs/dbraw/zinc/64/93/48/1071649348.db2.gz TWUBWTKQAKIXOM-VFHYMGCCSA-N -1 1 607.551 5.126 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408753367 1071657902 /nfs/dbraw/zinc/65/79/02/1071657902.db2.gz MGVWOIRBMSMBSO-ARLGEPFESA-N -1 1 747.405 5.026 40 0 KKABMM O=C1S/C(=C/c2cc(Br)cc(I)c2[O-])C(=O)N1c1ccccc1 ZINC000408806862 1071902607 /nfs/dbraw/zinc/90/26/07/1071902607.db2.gz CAJGRTBWEQIPPH-NTUHNPAUSA-N -1 1 502.127 5.000 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409051466 1071950899 /nfs/dbraw/zinc/95/08/99/1071950899.db2.gz AJZMWHRGIZLKOF-NWKGEQBZSA-N -1 1 690.332 5.086 40 0 KKABMM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OCC)c([O-])c(Br)c3Br)C2=O)cc1 ZINC000409096331 1072234355 /nfs/dbraw/zinc/23/43/55/1072234355.db2.gz JRGBAPRJDQSUFM-MHWRWJLKSA-N -1 1 600.285 5.390 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409091963 1072266623 /nfs/dbraw/zinc/26/66/23/1072266623.db2.gz WKYFPXFVZJUIFJ-BXDIUNCMSA-N -1 1 675.030 5.068 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409102103 1072311149 /nfs/dbraw/zinc/31/11/49/1072311149.db2.gz ZVYFIHVWAKQVMC-RPTCSZHISA-N -1 1 740.057 5.908 40 0 KKABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000409334843 1072342048 /nfs/dbraw/zinc/34/20/48/1072342048.db2.gz WOFARYODSLUFFQ-UHFFFAOYSA-N -1 1 571.680 5.718 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409105824 1072347141 /nfs/dbraw/zinc/34/71/41/1072347141.db2.gz KYCHFRMAHPRDQL-STEKTNRRSA-N -1 1 702.656 6.308 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409337227 1072403558 /nfs/dbraw/zinc/40/35/58/1072403558.db2.gz RRRVPNYIVDSUGA-UHFFFAOYSA-N -1 1 515.462 7.617 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409345742 1072422281 /nfs/dbraw/zinc/42/22/81/1072422281.db2.gz JKBKEUAHQJZNMU-UHFFFAOYSA-N -1 1 638.526 5.776 40 0 KKABMM CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409124898 1072462935 /nfs/dbraw/zinc/46/29/35/1072462935.db2.gz BULIPYFAYNMXET-FOWTUZBSSA-N -1 1 541.261 5.985 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409339318 1072477637 /nfs/dbraw/zinc/47/76/37/1072477637.db2.gz HFNNQNYMKADCPM-UHFFFAOYSA-N -1 1 618.108 5.431 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)cc1 ZINC000409367131 1072570748 /nfs/dbraw/zinc/57/07/48/1072570748.db2.gz GPECFOKEHMZANM-UHFFFAOYSA-N -1 1 521.038 6.813 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(OCc3ccccc3)c2)cc1 ZINC000409373305 1072641901 /nfs/dbraw/zinc/64/19/01/1072641901.db2.gz UANPSXCUJAONPJ-UHFFFAOYSA-N -1 1 542.639 7.254 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(Br)c2)cc1 ZINC000409372871 1072643985 /nfs/dbraw/zinc/64/39/85/1072643985.db2.gz PHDDKUWTVDBJLV-UHFFFAOYSA-N -1 1 515.411 6.438 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCC ZINC000409370883 1072652471 /nfs/dbraw/zinc/65/24/71/1072652471.db2.gz CUVMKRDUDYEPNX-UHFFFAOYSA-N -1 1 650.517 7.077 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000409368927 1072661401 /nfs/dbraw/zinc/66/14/01/1072661401.db2.gz SPGWBNLBHDSMKV-UHFFFAOYSA-N -1 1 577.084 7.907 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000409368328 1072665554 /nfs/dbraw/zinc/66/55/54/1072665554.db2.gz YIRQOQOFXOSFRX-UHFFFAOYSA-N -1 1 621.535 8.017 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000409368165 1072666103 /nfs/dbraw/zinc/66/61/03/1072666103.db2.gz NZXXQUZRDKYZBS-UHFFFAOYSA-N -1 1 627.144 9.061 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 ZINC000409368029 1072666662 /nfs/dbraw/zinc/66/66/62/1072666662.db2.gz QDLZUJHANWODBH-UHFFFAOYSA-N -1 1 611.529 8.561 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409167071 1072701511 /nfs/dbraw/zinc/70/15/11/1072701511.db2.gz ISCYPVXQYZACFM-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409174360 1072723001 /nfs/dbraw/zinc/72/30/01/1072723001.db2.gz TUMDDBRAZCMRBN-UHFFFAOYSA-N -1 1 668.115 6.392 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)cc1Cl ZINC000409174144 1072723428 /nfs/dbraw/zinc/72/34/28/1072723428.db2.gz SJDMLKWTGXUZPB-UHFFFAOYSA-N -1 1 505.983 5.201 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409172695 1072732016 /nfs/dbraw/zinc/73/20/16/1072732016.db2.gz GFSLZCFKFWZLCN-SSEXGKCCSA-N -1 1 636.593 6.319 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2ccccc2)cc1OC ZINC000409172683 1072732109 /nfs/dbraw/zinc/73/21/09/1072732109.db2.gz FYOUYNSUWXSOCF-UHFFFAOYSA-N -1 1 650.562 5.645 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1Cl ZINC000409171831 1072737544 /nfs/dbraw/zinc/73/75/44/1072737544.db2.gz BLPRSRCVOZSNPG-UHFFFAOYSA-N -1 1 646.118 5.194 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409169294 1072750357 /nfs/dbraw/zinc/75/03/57/1072750357.db2.gz WVUYQVUPANZQHC-UHFFFAOYSA-N -1 1 710.614 5.663 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409184494 1072776265 /nfs/dbraw/zinc/77/62/65/1072776265.db2.gz YONMRDZORZIQOR-UHFFFAOYSA-N -1 1 600.118 5.374 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)cc2)cc1Cl ZINC000409183465 1072783051 /nfs/dbraw/zinc/78/30/51/1072783051.db2.gz SMALMRCKHMPDJB-NLRVBDNBSA-N -1 1 503.023 6.629 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccccc2)cc1OC ZINC000409183047 1072786205 /nfs/dbraw/zinc/78/62/05/1072786205.db2.gz QNFZKERZMLCSAZ-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)c1 ZINC000409411855 1072792147 /nfs/dbraw/zinc/79/21/47/1072792147.db2.gz MHFPSVQQNRDCIN-UHFFFAOYSA-N -1 1 507.837 6.081 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000409411642 1072793181 /nfs/dbraw/zinc/79/31/81/1072793181.db2.gz YKBXTLHKELKVCS-UHFFFAOYSA-N -1 1 680.657 6.749 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2C)c(C)c1 ZINC000409411721 1072793771 /nfs/dbraw/zinc/79/37/71/1072793771.db2.gz KMBXBPQLPILFTE-UHFFFAOYSA-N -1 1 598.146 6.428 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000409411590 1072794964 /nfs/dbraw/zinc/79/49/64/1072794964.db2.gz JXFPIFUPZPZFHQ-UHFFFAOYSA-N -1 1 654.088 6.246 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000409411600 1072794983 /nfs/dbraw/zinc/79/49/83/1072794983.db2.gz XTKLVUZSDMIECY-UHFFFAOYSA-N -1 1 539.904 6.084 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409411111 1072798177 /nfs/dbraw/zinc/79/81/77/1072798177.db2.gz CHCSCBHJIDODSJ-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)ccc2C)cc1 ZINC000409410965 1072799441 /nfs/dbraw/zinc/79/94/41/1072799441.db2.gz BMLZIDLWLBCSSF-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)cc1C ZINC000409410946 1072799484 /nfs/dbraw/zinc/79/94/84/1072799484.db2.gz BAEHWFSREZJCIP-UHFFFAOYSA-N -1 1 534.419 5.578 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c1)CCCC2 ZINC000409410979 1072799562 /nfs/dbraw/zinc/79/95/62/1072799562.db2.gz BQTBIDBPUSLTHN-UHFFFAOYSA-N -1 1 526.680 5.782 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409411014 1072800005 /nfs/dbraw/zinc/80/00/05/1072800005.db2.gz SHIMVBPLMVXBCK-HHHXNRCGSA-N -1 1 568.076 5.760 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409411015 1072800149 /nfs/dbraw/zinc/80/01/49/1072800149.db2.gz SHIMVBPLMVXBCK-MHZLTWQESA-N -1 1 568.076 5.760 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2C)c1C ZINC000409410622 1072802078 /nfs/dbraw/zinc/80/20/78/1072802078.db2.gz YSGQVGUFTAGMCC-UHFFFAOYSA-N -1 1 555.722 5.230 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)cc1Cl ZINC000409410636 1072802117 /nfs/dbraw/zinc/80/21/17/1072802117.db2.gz ZACMVPCKKLJVPS-UHFFFAOYSA-N -1 1 576.911 5.161 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1I ZINC000409410752 1072802964 /nfs/dbraw/zinc/80/29/64/1072802964.db2.gz PIXXTVRILIKCCC-UHFFFAOYSA-N -1 1 547.201 5.651 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409180239 1072804557 /nfs/dbraw/zinc/80/45/57/1072804557.db2.gz XGQGZZOYNURCSN-UHFFFAOYSA-N -1 1 628.172 5.990 40 0 KKABMM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409180339 1072805488 /nfs/dbraw/zinc/80/54/88/1072805488.db2.gz WMHYYXXNGBHDIJ-UHFFFAOYSA-N -1 1 583.868 7.338 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2C)c1 ZINC000409410198 1072805669 /nfs/dbraw/zinc/80/56/69/1072805669.db2.gz LEKXQUOJLGDBQL-QHCPKHFHSA-N -1 1 541.673 6.156 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)cc1 ZINC000409410209 1072805997 /nfs/dbraw/zinc/80/59/97/1072805997.db2.gz LJSNGZNBGDRRNW-UHFFFAOYSA-N -1 1 601.706 5.727 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)cc1Cl ZINC000409409205 1072811346 /nfs/dbraw/zinc/81/13/46/1072811346.db2.gz FYXSWYQXRUTRHF-NDEPHWFRSA-N -1 1 582.103 6.069 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(F)cc2)cc1OC ZINC000409178926 1072812817 /nfs/dbraw/zinc/81/28/17/1072812817.db2.gz KNSHPZQZFRLZDH-UHFFFAOYSA-N -1 1 649.722 5.631 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1 ZINC000409408348 1072816137 /nfs/dbraw/zinc/81/61/37/1072816137.db2.gz BZOZEMFIFQDNMV-UHFFFAOYSA-N -1 1 504.317 6.457 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409408345 1072816182 /nfs/dbraw/zinc/81/61/82/1072816182.db2.gz BYIIXBOAGDXRPA-UHFFFAOYSA-N -1 1 612.173 6.154 40 0 KKABMM 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O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000012112461 553351412 /nfs/dbraw/zinc/35/14/12/553351412.db2.gz MUCBPYWBCCUQTF-UHFFFAOYSA-N -1 1 517.554 5.659 40 0 KKABMM CCOC(=O)c1c2ccccc2sc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012275427 553356173 /nfs/dbraw/zinc/35/61/73/553356173.db2.gz AJKOIYRGXYRVET-UHFFFAOYSA-N -1 1 515.012 5.785 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2C)cc1 ZINC000013681550 553484554 /nfs/dbraw/zinc/48/45/54/553484554.db2.gz KCOTWCRATZZNDI-UHFFFAOYSA-N -1 1 505.640 5.373 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c1)CCCC2 ZINC000014153386 553503234 /nfs/dbraw/zinc/50/32/34/553503234.db2.gz XVJYWNMAISWTDK-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(F)cccc3Cl)ccc2C)c(C)c1 ZINC000014153475 553503426 /nfs/dbraw/zinc/50/34/26/553503426.db2.gz LITXREFHQYUQQK-UHFFFAOYSA-N -1 1 521.079 5.868 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)ccc2C)c1 ZINC000014154120 553504011 /nfs/dbraw/zinc/50/40/11/553504011.db2.gz UBXNXRPWNYLXQW-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2C)c1C ZINC000014154473 553504357 /nfs/dbraw/zinc/50/43/57/553504357.db2.gz UZQVXABATGMOBP-UHFFFAOYSA-N -1 1 502.661 6.816 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)ccc1C ZINC000014155668 553505336 /nfs/dbraw/zinc/50/53/36/553505336.db2.gz CXZCFHZPWDJNEM-UHFFFAOYSA-N -1 1 514.691 6.896 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3[O-])oc2c1 ZINC000014275028 553507963 /nfs/dbraw/zinc/50/79/63/553507963.db2.gz XGQVPTOODHCHKS-UHFFFAOYSA-N -1 1 503.967 6.549 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)cc3[O-])oc2cc1C ZINC000016284203 553558660 /nfs/dbraw/zinc/55/86/60/553558660.db2.gz DACBVAXZWIJHEI-XBXARRHUSA-N -1 1 512.418 6.650 40 0 KKABMM 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COC(=O)c1cc2cc(NC(=O)CCc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)ccc2s1 ZINC000020024314 553663091 /nfs/dbraw/zinc/66/30/91/553663091.db2.gz YKAVGLIWNVWTIK-UHFFFAOYSA-N -1 1 508.621 5.368 40 0 KKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020038985 553668281 /nfs/dbraw/zinc/66/82/81/553668281.db2.gz YUBLECOJSGTZHV-QFIPXVFZSA-N -1 1 509.480 6.612 40 0 KKABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020041910 553669174 /nfs/dbraw/zinc/66/91/74/553669174.db2.gz MMQGQDLYVSNOJY-QGZVFWFLSA-N -1 1 500.020 5.230 40 0 KKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020046863 553670280 /nfs/dbraw/zinc/67/02/80/553670280.db2.gz NWDAAPUFQBESEG-UHFFFAOYSA-N -1 1 501.391 6.208 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Br)cc1 ZINC000020061099 553674235 /nfs/dbraw/zinc/67/42/35/553674235.db2.gz QRHPWZJYQDVZDZ-UHFFFAOYSA-N -1 1 510.207 5.265 40 0 KKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)ccc1Cl ZINC000020104440 553688466 /nfs/dbraw/zinc/68/84/66/553688466.db2.gz KZXXGYPMYHIXSK-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000020767179 553697563 /nfs/dbraw/zinc/69/75/63/553697563.db2.gz USKBOMHHDXVLDU-UHFFFAOYSA-N -1 1 505.821 5.496 40 0 KKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306225 553709439 /nfs/dbraw/zinc/70/94/39/553709439.db2.gz VBNCRLZYJNVNMO-NRFANRHFSA-N -1 1 513.830 6.244 40 0 KKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022109814 553726556 /nfs/dbraw/zinc/72/65/56/553726556.db2.gz LMYLQZGRTVSITR-UHFFFAOYSA-N -1 1 502.265 6.285 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022110614 553726767 /nfs/dbraw/zinc/72/67/67/553726767.db2.gz DAUQAQYQVHIQSR-UHFFFAOYSA-N -1 1 517.438 6.254 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Br)c1OCc1ccccc1 ZINC000022110795 553726772 /nfs/dbraw/zinc/72/67/72/553726772.db2.gz LOFHOBWKQPQUHR-UHFFFAOYSA-N -1 1 512.433 5.487 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022110162 553726847 /nfs/dbraw/zinc/72/68/47/553726847.db2.gz URYSLDZOKLPANX-UHFFFAOYSA-N -1 1 501.439 6.636 40 0 KKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022110699 553726854 /nfs/dbraw/zinc/72/68/54/553726854.db2.gz AIBYOVNSLNQDLA-UHFFFAOYSA-N -1 1 508.434 6.785 40 0 KKABMM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022508597 553742717 /nfs/dbraw/zinc/74/27/17/553742717.db2.gz XHSPNARUJKJKKL-HNNXBMFYSA-N -1 1 512.937 5.874 40 0 KKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000022519842 553743911 /nfs/dbraw/zinc/74/39/11/553743911.db2.gz AGVUYFTXMUZKCQ-QFIPXVFZSA-N -1 1 509.480 6.612 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000026120160 553817517 /nfs/dbraw/zinc/81/75/17/553817517.db2.gz OPEHETIFZWUYKR-UHFFFAOYSA-N -1 1 526.749 6.518 40 0 KKABMM CN(C(=O)c1cc2ccccc2cc1C(=O)[C@H](c1cccc2ccccc21)[P@](=O)([O-])O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000027872338 553836755 /nfs/dbraw/zinc/83/67/55/553836755.db2.gz GNOZQRKYZJSIPZ-UMSFTDKQSA-N -1 1 620.642 6.472 40 0 in-vitro KKABMM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000030754908 553856618 /nfs/dbraw/zinc/85/66/18/553856618.db2.gz LSKGDAMRLQRACK-GOSISDBHSA-N -1 1 506.546 5.837 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)c1 ZINC000030863459 553859554 /nfs/dbraw/zinc/85/95/54/553859554.db2.gz JVMFNJUNZALRDX-UHFFFAOYSA-N -1 1 511.647 6.001 40 0 KKABMM Cc1ccc([C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c2ccccc2)cc1 ZINC000030865908 553859881 /nfs/dbraw/zinc/85/98/81/553859881.db2.gz VRCOTJKFKSHFRM-MHZLTWQESA-N -1 1 505.039 6.277 40 0 KKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000030870722 553860167 /nfs/dbraw/zinc/86/01/67/553860167.db2.gz NRXWATDZRBBCFB-SANMLTNESA-N -1 1 509.027 6.399 40 0 KKABMM CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1[C@H](O)[C@@H](O)C(=O)C=C(O)CC(=O)[O-] ZINC000100070418 554200938 /nfs/dbraw/zinc/20/09/38/554200938.db2.gz UVDUPWCOLXAAMP-CQTOTRCISA-N -1 1 586.616 5.192 40 0 in-vitro KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000100092471 554213157 /nfs/dbraw/zinc/21/31/57/554213157.db2.gz LTYKZTOBZXZQJG-UHFFFAOYSA-N -1 1 562.094 5.280 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)c1 ZINC000100092955 554213506 /nfs/dbraw/zinc/21/35/06/554213506.db2.gz RWNLRYWRVWIKOX-HHHXNRCGSA-N -1 1 598.102 5.044 40 0 KKABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000100096270 554217367 /nfs/dbraw/zinc/21/73/67/554217367.db2.gz DTDUSVNTYFWFPO-UHFFFAOYSA-N -1 1 573.829 6.408 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000100096409 554217438 /nfs/dbraw/zinc/21/74/38/554217438.db2.gz OJIMRSAUMARODX-UHFFFAOYSA-N -1 1 590.167 5.062 40 0 KKABMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)c4ccc5c(c4)CCCC5)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000036633763 554229838 /nfs/dbraw/zinc/22/98/38/554229838.db2.gz GXDPRJZOTARLLV-PXJZQJOASA-N -1 1 523.658 5.996 40 0 KKABMM Cc1ccc(C)c(C(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000036633837 554230090 /nfs/dbraw/zinc/23/00/90/554230090.db2.gz VJPYDPKQMAASON-AZGAKELHSA-N -1 1 502.039 6.379 40 0 KKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1OC ZINC000038771739 554277143 /nfs/dbraw/zinc/27/71/43/554277143.db2.gz SRTNVEZDNUHOGN-UHFFFAOYSA-N -1 1 507.033 5.197 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c(Cl)c2)cc1 ZINC000044839347 554303781 /nfs/dbraw/zinc/30/37/81/554303781.db2.gz UEKMUSYELHGLRF-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1OC ZINC000044839942 554303856 /nfs/dbraw/zinc/30/38/56/554303856.db2.gz GHHLPMPYSPFBTN-SFHVURJKSA-N -1 1 500.642 5.241 40 0 KKABMM O=C(NCCSCc1c(F)cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044849663 554305225 /nfs/dbraw/zinc/30/52/25/554305225.db2.gz FMCOWWQERACWQD-UHFFFAOYSA-N -1 1 513.443 5.597 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000044884070 554307640 /nfs/dbraw/zinc/30/76/40/554307640.db2.gz YXAPNTLNIYGMBO-UHFFFAOYSA-N -1 1 515.012 5.734 40 0 KKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000044901592 554309103 /nfs/dbraw/zinc/30/91/03/554309103.db2.gz CTAVIPQMSIDMOT-VWLOTQADSA-N -1 1 501.048 5.975 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)cc3[O-])nc2c1 ZINC000059331536 554389246 /nfs/dbraw/zinc/38/92/46/554389246.db2.gz CFCQVXPUHMAYLL-UHFFFAOYSA-N -1 1 523.614 6.469 40 0 KKABMM CCOC(=O)C1=C([O-])c2c(-c3ccc(N(C)C)cc3)nc3c(c(C)nn3-c3ccccc3)c2[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000059662850 554421058 /nfs/dbraw/zinc/42/10/58/554421058.db2.gz GPQOPBRGLSEODY-DQQHMPIDSA-N -1 1 616.718 6.268 40 0 KKABMM CCOC(=O)C1=C([O-])c2c(-c3ccc(N(C)C)cc3)nc3c(c(C)nn3-c3ccccc3)c2[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000059662865 554421099 /nfs/dbraw/zinc/42/10/99/554421099.db2.gz GPQOPBRGLSEODY-YUJJRVTMSA-N -1 1 616.718 6.268 40 0 KKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1cccc(Br)c1 ZINC000059837264 554442506 /nfs/dbraw/zinc/44/25/06/554442506.db2.gz BSLTXDXDJBERLA-CQSZACIVSA-N -1 1 558.281 5.813 40 0 KKABMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000059853043 554453559 /nfs/dbraw/zinc/45/35/59/554453559.db2.gz YHUMAPLOMCYCTH-UHFFFAOYSA-N -1 1 523.964 5.122 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059857881 554455085 /nfs/dbraw/zinc/45/50/85/554455085.db2.gz VPMAZBPAPZHTFL-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059858759 554456184 /nfs/dbraw/zinc/45/61/84/554456184.db2.gz IYZFHQJUKBKORQ-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059858768 554456367 /nfs/dbraw/zinc/45/63/67/554456367.db2.gz XFLHIGNNFDFEQB-UHFFFAOYSA-N -1 1 613.761 6.598 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059881803 554457126 /nfs/dbraw/zinc/45/71/26/554457126.db2.gz FBRRHYPJHRHLIS-UHFFFAOYSA-N -1 1 593.727 5.337 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccccc2Cl)cc1 ZINC000059882574 554458510 /nfs/dbraw/zinc/45/85/10/554458510.db2.gz MRNDMWDDSJQBJA-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059883110 554459512 /nfs/dbraw/zinc/45/95/12/554459512.db2.gz IXHSRWXPIUQIRR-LJAQVGFWSA-N -1 1 543.670 5.514 40 0 KKABMM O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059883148 554459960 /nfs/dbraw/zinc/45/99/60/554459960.db2.gz WRRBDKYMVRHBEX-UHFFFAOYSA-N -1 1 535.396 6.544 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059883522 554460562 /nfs/dbraw/zinc/46/05/62/554460562.db2.gz KUVCROKKOMBZNO-UHFFFAOYSA-N -1 1 615.733 5.792 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059883699 554460731 /nfs/dbraw/zinc/46/07/31/554460731.db2.gz DGTMIQRRIFQEFG-UHFFFAOYSA-N -1 1 620.536 5.637 40 0 KKABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000059883632 554460923 /nfs/dbraw/zinc/46/09/23/554460923.db2.gz UDTVPOUYJDKIHS-UHFFFAOYSA-N -1 1 590.045 5.181 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C)cc2C)cc1 ZINC000059884081 554461726 /nfs/dbraw/zinc/46/17/26/554461726.db2.gz LPZXGWIXQBJKGR-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cccc(Cl)c2)cc1 ZINC000059884026 554461730 /nfs/dbraw/zinc/46/17/30/554461730.db2.gz JOCGSXYMPDBJDM-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000059884248 554462075 /nfs/dbraw/zinc/46/20/75/554462075.db2.gz BXVDTYXKOFQPHB-UHFFFAOYSA-N -1 1 610.463 5.526 40 0 KKABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000059885002 554463589 /nfs/dbraw/zinc/46/35/89/554463589.db2.gz UVIIOOJLIBMHGI-UHFFFAOYSA-N -1 1 618.506 5.223 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059885621 554464731 /nfs/dbraw/zinc/46/47/31/554464731.db2.gz WCOKSVAUNSUFDX-UHFFFAOYSA-N -1 1 593.727 5.255 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059885978 554465708 /nfs/dbraw/zinc/46/57/08/554465708.db2.gz BHAMSDQWUBUTMJ-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059886260 554466355 /nfs/dbraw/zinc/46/63/55/554466355.db2.gz PTHGOPSDNQZZGJ-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059886438 554466754 /nfs/dbraw/zinc/46/67/54/554466754.db2.gz ZVEFDPZWVFEDBM-UHFFFAOYSA-N -1 1 629.760 6.182 40 0 KKABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059887177 554468352 /nfs/dbraw/zinc/46/83/52/554468352.db2.gz XAYCRIGYCDWXTO-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059887940 554469955 /nfs/dbraw/zinc/46/99/55/554469955.db2.gz PNIOKYTUDCYUDA-UHFFFAOYSA-N -1 1 612.173 6.407 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000059888023 554469979 /nfs/dbraw/zinc/46/99/79/554469979.db2.gz BPJNHXQEUQXATF-UHFFFAOYSA-N -1 1 611.767 5.442 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000059888168 554470462 /nfs/dbraw/zinc/47/04/62/554470462.db2.gz HQFCMPZLANCODZ-HKOYGPOVSA-N -1 1 537.468 7.282 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059888181 554470489 /nfs/dbraw/zinc/47/04/89/554470489.db2.gz URXZMTJRKPQQDG-UHFFFAOYSA-N -1 1 614.543 5.392 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000059888404 554471025 /nfs/dbraw/zinc/47/10/25/554471025.db2.gz KCVLBLMBPIODOP-UHFFFAOYSA-N -1 1 610.463 5.526 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)c1 ZINC000060028746 554494991 /nfs/dbraw/zinc/49/49/91/554494991.db2.gz MRHWNUYCWGWXGR-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2Cl)c1C ZINC000060061082 554501935 /nfs/dbraw/zinc/50/19/35/554501935.db2.gz VWXYMXJDHPYZCJ-UHFFFAOYSA-N -1 1 571.080 5.206 40 0 KKABMM [O-]c1c(I)cc(I)cc1/C=C/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000100927639 554524991 /nfs/dbraw/zinc/52/49/91/554524991.db2.gz LHKKTNXSQDHXOV-HNQUOIGGSA-N -1 1 599.593 7.233 40 0 KKABMM Cc1[nH]c2ccccc2c1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101075926 554577393 /nfs/dbraw/zinc/57/73/93/554577393.db2.gz ZNEGYHPAXNBYEZ-SGNDLWITSA-N -1 1 502.368 5.290 40 0 KKABMM CC(C)(C)c1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000101076317 554577773 /nfs/dbraw/zinc/57/77/73/554577773.db2.gz UTCYUDYBHIVTMJ-OBDYRVMHSA-N -1 1 577.519 6.801 40 0 KKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101252520 554694216 /nfs/dbraw/zinc/69/42/16/554694216.db2.gz QQLFJLVMQCIPOZ-PKTNWEFCSA-N -1 1 500.595 5.542 40 0 KKABMM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=C(O)C(=O)Nc1ccc(O)cc1 ZINC000102948367 555172182 /nfs/dbraw/zinc/17/21/82/555172182.db2.gz QFAYFBIFOWQRFE-UHFFFAOYSA-N -1 1 522.586 5.457 40 0 KKABMM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=C([O-])C(=O)Nc1ccc(O)cc1 ZINC000102948367 555172184 /nfs/dbraw/zinc/17/21/84/555172184.db2.gz QFAYFBIFOWQRFE-UHFFFAOYSA-N -1 1 522.586 5.457 40 0 KKABMM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000102967540 555180446 /nfs/dbraw/zinc/18/04/46/555180446.db2.gz BJEIQZSENBNLIJ-UHFFFAOYSA-N -1 1 575.477 7.059 40 0 KKABMM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000104018000 571371366 /nfs/dbraw/zinc/37/13/66/571371366.db2.gz SSFOODOAUBZNJS-KRXBUXKQSA-N -1 1 516.233 6.753 40 0 KKABMM O=c1/c(=C/c2ccc([O-])c(Br)c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656375 571384006 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CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[n-]3)c2)c(C(C)(C)CC)c1 ZINC000161766711 571530888 /nfs/dbraw/zinc/53/08/88/571530888.db2.gz NFQCZOCWVMXBJE-UHFFFAOYSA-N -1 1 672.053 8.771 40 0 KKABMM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(Br)cc(I)c4[O-])c(=O)n31)c1ccccc1CC2 ZINC000163190334 571532517 /nfs/dbraw/zinc/53/25/17/571532517.db2.gz MLHWACYMIQYXOP-VVNKCDPRSA-N -1 1 671.354 5.400 40 0 KKABMM O=c1/c(=C\c2cc(I)cc(I)c2[O-])sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000163295060 571534941 /nfs/dbraw/zinc/53/49/41/571534941.db2.gz PXRZERQVFUPUIU-JGTYQCAFSA-N -1 1 688.328 5.234 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164530303 571549475 /nfs/dbraw/zinc/54/94/75/571549475.db2.gz XOPBRFOWMAFFCA-GLSAMTQTSA-N -1 1 717.379 5.017 40 0 KKABMM O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000197821380 571564566 /nfs/dbraw/zinc/56/45/66/571564566.db2.gz ILLLRWFSAVWLDZ-UHFFFAOYSA-N -1 1 674.122 7.147 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(C)cc2)cc1Br ZINC000197821418 571564572 /nfs/dbraw/zinc/56/45/72/571564572.db2.gz UHEPRBWXMOEKKY-UHFFFAOYSA-N -1 1 693.041 6.363 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cc(C)ccc2C)cc1 ZINC000197821070 571564576 /nfs/dbraw/zinc/56/45/76/571564576.db2.gz XERWECDSYLUUIY-UHFFFAOYSA-N -1 1 642.597 6.009 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000197821733 571564694 /nfs/dbraw/zinc/56/46/94/571564694.db2.gz CRRAACDTCNYBTO-UHFFFAOYSA-N -1 1 640.570 6.781 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000197826492 571565201 /nfs/dbraw/zinc/56/52/01/571565201.db2.gz XZOZKBIZQQHENC-UHFFFAOYSA-N -1 1 668.115 6.311 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000197830303 571565661 /nfs/dbraw/zinc/56/56/61/571565661.db2.gz NFCPSQPGWYYMEX-LJAQVGFWSA-N -1 1 646.112 7.186 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000197831657 571565885 /nfs/dbraw/zinc/56/58/85/571565885.db2.gz VCYQRXLVSKNJCT-UHFFFAOYSA-N -1 1 679.014 6.054 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000198309703 571566790 /nfs/dbraw/zinc/56/67/90/571566790.db2.gz FWDZVXDUCFSTFW-UHFFFAOYSA-N -1 1 668.115 6.311 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cccc(C)c2)cc1 ZINC000198309801 571566975 /nfs/dbraw/zinc/56/69/75/571566975.db2.gz FBWBGRQHRPYPGO-UHFFFAOYSA-N -1 1 628.570 5.701 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198311227 571566983 /nfs/dbraw/zinc/56/69/83/571566983.db2.gz JGMKCNIMHVFQOQ-UHFFFAOYSA-N -1 1 650.178 6.445 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000198313830 571567156 /nfs/dbraw/zinc/56/71/56/571567156.db2.gz OMTMMZGFKOVOMH-UHFFFAOYSA-N -1 1 674.244 7.714 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000198312521 571567288 /nfs/dbraw/zinc/56/72/88/571567288.db2.gz ZWYIUHZATRRMIO-UHFFFAOYSA-N -1 1 676.614 6.898 40 0 KKABMM Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000198314426 571567346 /nfs/dbraw/zinc/56/73/46/571567346.db2.gz CYFJOOIZYZAGEI-UHFFFAOYSA-N -1 1 680.635 7.750 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000198316124 571567441 /nfs/dbraw/zinc/56/74/41/571567441.db2.gz AGTSRBDPHSCKPQ-UHFFFAOYSA-N -1 1 654.088 6.357 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000198315154 571567451 /nfs/dbraw/zinc/56/74/51/571567451.db2.gz OWWCOQCWASFRBA-UHFFFAOYSA-N -1 1 646.212 6.095 40 0 KKABMM O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000198317799 571567617 /nfs/dbraw/zinc/56/76/17/571567617.db2.gz UXMPJJXGTKSITP-UHFFFAOYSA-N -1 1 634.961 5.737 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198316880 571567640 /nfs/dbraw/zinc/56/76/40/571567640.db2.gz KJCZNVILVGZVJM-UHFFFAOYSA-N -1 1 647.697 6.047 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(Cl)cc2)cc1 ZINC000198318873 571567763 /nfs/dbraw/zinc/56/77/63/571567763.db2.gz IFGFYOIJMJZBMV-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198319951 571567769 /nfs/dbraw/zinc/56/77/69/571567769.db2.gz WOKNTHRKOJAGFW-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000198320613 571567846 /nfs/dbraw/zinc/56/78/46/571567846.db2.gz JSABLLVECBEKOS-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)N1CCCCCC1 ZINC000215905088 571587163 /nfs/dbraw/zinc/58/71/63/571587163.db2.gz AQCGVJIQDWWRHT-UHFFFAOYSA-N -1 1 548.705 6.041 40 0 KKABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c(Cl)c1 ZINC000215912143 571587331 /nfs/dbraw/zinc/58/73/31/571587331.db2.gz RJTZCSMPEXITOC-UHFFFAOYSA-N -1 1 582.409 5.437 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000215917529 571587544 /nfs/dbraw/zinc/58/75/44/571587544.db2.gz RHQXBYIKNZDKNY-UHFFFAOYSA-N -1 1 524.620 5.479 40 0 KKABMM O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215978657 571590377 /nfs/dbraw/zinc/59/03/77/571590377.db2.gz KSECPGQLACFATJ-UHFFFAOYSA-N -1 1 529.898 6.111 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(I)cc3C)c(Cl)c2)cc1 ZINC000215982042 571590611 /nfs/dbraw/zinc/59/06/11/571590611.db2.gz XKLJJAUCFKINJY-UHFFFAOYSA-N -1 1 540.810 5.615 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215999282 571591231 /nfs/dbraw/zinc/59/12/31/571591231.db2.gz BGXLSTUECLWGAW-UHFFFAOYSA-N -1 1 560.028 5.333 40 0 KKABMM CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)c2)cc1 ZINC000216276895 571594068 /nfs/dbraw/zinc/59/40/68/571594068.db2.gz DCLIMHZAVQDCAJ-UHFFFAOYSA-N -1 1 547.076 6.922 40 0 KKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000216396808 571595662 /nfs/dbraw/zinc/59/56/62/571595662.db2.gz VGPLPBZOEYDZSS-RUZDIDTESA-N -1 1 501.048 5.975 40 0 KKABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OC ZINC000216421264 571596031 /nfs/dbraw/zinc/59/60/31/571596031.db2.gz MMHWKQSHLPRMMG-UHFFFAOYSA-N -1 1 542.963 5.748 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2n1Cc1ccccc1Cl ZINC000224897633 571627887 /nfs/dbraw/zinc/62/78/87/571627887.db2.gz MWYSCZWRFGNLNU-UHFFFAOYSA-N -1 1 514.934 5.464 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(I)c1 ZINC000224962172 571634258 /nfs/dbraw/zinc/63/42/58/571634258.db2.gz VIANOSPPTLPVCY-UHFFFAOYSA-N -1 1 528.371 5.498 40 0 KKABMM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000224973127 571635355 /nfs/dbraw/zinc/63/53/55/571635355.db2.gz LLESRKQMVOPTFE-UHFFFAOYSA-N -1 1 521.436 6.098 40 0 KKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OCC ZINC000225061349 571643190 /nfs/dbraw/zinc/64/31/90/571643190.db2.gz HMRVYEMQBCKHGI-UHFFFAOYSA-N -1 1 542.963 6.209 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(Br)ccc1Cl ZINC000225070303 571644011 /nfs/dbraw/zinc/64/40/11/571644011.db2.gz XSQVXNWOAOCFHN-UHFFFAOYSA-N -1 1 500.201 5.809 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000225475115 571845423 /nfs/dbraw/zinc/84/54/23/571845423.db2.gz VMRGIWODRIFWFY-RPBOFIJWSA-N -1 1 572.087 5.222 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000225475478 571845801 /nfs/dbraw/zinc/84/58/01/571845801.db2.gz KLJCTOAQBMQHAB-LOSJGSFVSA-N -1 1 554.097 5.083 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478822 571849111 /nfs/dbraw/zinc/84/91/11/571849111.db2.gz XVFWVMVOSLANQL-VSGBNLITSA-N -1 1 561.733 5.105 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Br)cc2)cc1[N-]S(C)(=O)=O ZINC000225487013 571857907 /nfs/dbraw/zinc/85/79/07/571857907.db2.gz IEAPWTSZZDZYDJ-LOSJGSFVSA-N -1 1 598.548 5.192 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000225488399 571858872 /nfs/dbraw/zinc/85/88/72/571858872.db2.gz UTZOTSHOVXMAPE-KAYWLYCHSA-N -1 1 547.706 5.046 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225490165 571860387 /nfs/dbraw/zinc/86/03/87/571860387.db2.gz XEIGRWGUJYYDRN-JWQCQUIFSA-N -1 1 538.626 5.038 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Br)cc3F)o2)cc1[N-]S(C)(=O)=O ZINC000225492049 571861827 /nfs/dbraw/zinc/86/18/27/571861827.db2.gz KRSIVQHONMIFNC-RPBOFIJWSA-N -1 1 617.522 5.800 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C)cc3Br)o2)cc1[N-]S(C)(=O)=O ZINC000225492243 571862313 /nfs/dbraw/zinc/86/23/13/571862313.db2.gz UKUCETPCFQKXFG-IZZNHLLZSA-N -1 1 613.559 5.970 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N-]S(C)(=O)=O ZINC000225492899 571863034 /nfs/dbraw/zinc/86/30/34/571863034.db2.gz SJMLQYHXBRYAQM-UIOOFZCWSA-N -1 1 569.108 5.861 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc2n1Cc1ccccc1 ZINC000225741398 572057140 /nfs/dbraw/zinc/05/71/40/572057140.db2.gz UXCWIRITKOKWGY-UHFFFAOYSA-N -1 1 502.617 5.491 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(CSc4ccccc4)cc3)ccc2n1Cc1ccccc1 ZINC000225741673 572057418 /nfs/dbraw/zinc/05/74/18/572057418.db2.gz MLXJFQYKGGEVED-UHFFFAOYSA-N -1 1 518.685 6.204 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1N1CCCC1=O ZINC000225792818 572069466 /nfs/dbraw/zinc/06/94/66/572069466.db2.gz HEURGLATPYJITO-UHFFFAOYSA-N -1 1 528.055 5.001 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225797264 572070660 /nfs/dbraw/zinc/07/06/60/572070660.db2.gz MHYUVOGWDZZNGS-UHFFFAOYSA-N -1 1 523.035 6.358 40 0 KKABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)ccc1Cl ZINC000225801428 572071027 /nfs/dbraw/zinc/07/10/27/572071027.db2.gz ZURCPBQYTIIYJV-UHFFFAOYSA-N -1 1 523.419 5.006 40 0 KKABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c(C)c1 ZINC000225802388 572071434 /nfs/dbraw/zinc/07/14/34/572071434.db2.gz ZZCJBKZALCMVOC-UHFFFAOYSA-N -1 1 517.028 5.051 40 0 KKABMM CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@@H]2c1cc(OC)c([O-])c(Br)c1Br ZINC000261364685 572106914 /nfs/dbraw/zinc/10/69/14/572106914.db2.gz MYBKAVAXSREOLU-KRWDZBQOSA-O -1 1 620.141 5.223 40 0 KKABMM CCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000226085068 572132800 /nfs/dbraw/zinc/13/28/00/572132800.db2.gz YIFVBKDLIAKILA-UHFFFAOYSA-N -1 1 547.471 5.401 40 0 KKABMM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408526489 572157920 /nfs/dbraw/zinc/15/79/20/572157920.db2.gz BOONRRRGYWXZEO-UHFFFAOYSA-N -1 1 507.439 5.937 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2C)cc1C ZINC000408543012 572211762 /nfs/dbraw/zinc/21/17/62/572211762.db2.gz BVQFOPHZFGILNC-HSZRJFAPSA-N -1 1 541.673 6.156 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000408545761 572220777 /nfs/dbraw/zinc/22/07/77/572220777.db2.gz NYPIRUXFQRAYMM-MUUNZHRXSA-N -1 1 547.658 5.415 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)ccc2C)c(C)c1 ZINC000408546491 572223163 /nfs/dbraw/zinc/22/31/63/572223163.db2.gz SXJLQSJOMNYXDX-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)cc1 ZINC000408546894 572224740 /nfs/dbraw/zinc/22/47/40/572224740.db2.gz HBZZGPZQRCLNCD-UHFFFAOYSA-N -1 1 579.700 5.474 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000408547295 572225205 /nfs/dbraw/zinc/22/52/05/572225205.db2.gz YLUYABWNVMUJNT-UHFFFAOYSA-N -1 1 597.329 5.506 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408547640 572226331 /nfs/dbraw/zinc/22/63/31/572226331.db2.gz KNPOLUAKDOQAAZ-UHFFFAOYSA-N -1 1 503.454 5.317 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1Cl ZINC000408547762 572226812 /nfs/dbraw/zinc/22/68/12/572226812.db2.gz MKVGCOKRZLZLBU-UHFFFAOYSA-N -1 1 555.383 5.622 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)c1 ZINC000408547715 572226722 /nfs/dbraw/zinc/22/67/22/572226722.db2.gz LUJXKLDCXRYWTA-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)c1 ZINC000408548187 572228294 /nfs/dbraw/zinc/22/82/94/572228294.db2.gz QHKWOWXWLVYZPH-UHFFFAOYSA-N -1 1 599.734 6.619 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000408548808 572229982 /nfs/dbraw/zinc/22/99/82/572229982.db2.gz VONURNTZESXFST-UHFFFAOYSA-N -1 1 624.062 6.521 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3)ccc2C)c1 ZINC000408548767 572230019 /nfs/dbraw/zinc/23/00/19/572230019.db2.gz UVNCSPXCVQUOBQ-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408549047 572230946 /nfs/dbraw/zinc/23/09/46/572230946.db2.gz WCYPDYFUJDGAAU-UHFFFAOYSA-N -1 1 676.216 7.384 40 0 KKABMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408549535 572232153 /nfs/dbraw/zinc/23/21/53/572232153.db2.gz ZQIQLOTXPIXEHC-UHFFFAOYSA-N -1 1 525.877 5.775 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1c(Cl)cccc1Cl ZINC000408551483 572236193 /nfs/dbraw/zinc/23/61/93/572236193.db2.gz ICYRHPFXICZFQS-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408555492 572243065 /nfs/dbraw/zinc/24/30/65/572243065.db2.gz AYXIHVRUTAXFPD-UHFFFAOYSA-N -1 1 533.355 6.464 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3[O-])oc2c(C)c1 ZINC000408573850 572259204 /nfs/dbraw/zinc/25/92/04/572259204.db2.gz OUJFXVYNDCOQHG-JLHYYAGUSA-N -1 1 509.587 6.604 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000408587191 572266494 /nfs/dbraw/zinc/26/64/94/572266494.db2.gz SBYPHLWIQVESTC-UHFFFAOYSA-N -1 1 517.003 5.359 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000408587214 572266543 /nfs/dbraw/zinc/26/65/43/572266543.db2.gz SJGUKSISPLZTGU-UHFFFAOYSA-N -1 1 551.448 6.012 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc(Cl)c1 ZINC000408588287 572266902 /nfs/dbraw/zinc/26/69/02/572266902.db2.gz FKYGBEPORBAMGX-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408589829 572267438 /nfs/dbraw/zinc/26/74/38/572267438.db2.gz GBLQIOSOOHLMJY-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc(Cl)c1Cl ZINC000408592025 572268514 /nfs/dbraw/zinc/26/85/14/572268514.db2.gz NGSHPVPQEPFMFT-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NC1CCCCCC1 ZINC000408593235 572269056 /nfs/dbraw/zinc/26/90/56/572269056.db2.gz PTFPPHVKAHDJFR-UHFFFAOYSA-N -1 1 504.958 5.377 40 0 KKABMM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408595072 572270079 /nfs/dbraw/zinc/27/00/79/572270079.db2.gz SZSWGQTWRDPKCJ-UHFFFAOYSA-N -1 1 533.355 6.139 40 0 KKABMM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408596459 572270953 /nfs/dbraw/zinc/27/09/53/572270953.db2.gz WELAFXOFGFFBKP-UHFFFAOYSA-N -1 1 540.991 6.520 40 0 KKABMM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408596663 572271096 /nfs/dbraw/zinc/27/10/96/572271096.db2.gz XKLOHUHAZOOKNQ-KRWDZBQOSA-N -1 1 540.991 5.676 40 0 KKABMM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408602109 572273101 /nfs/dbraw/zinc/27/31/01/572273101.db2.gz HTBIGPTUGLJULZ-UHFFFAOYSA-N -1 1 528.936 5.494 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408610710 572276375 /nfs/dbraw/zinc/27/63/75/572276375.db2.gz VJSBSJLDZIWCPN-VMPITWQZSA-N -1 1 594.055 5.396 40 0 KKABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000408611507 572276592 /nfs/dbraw/zinc/27/65/92/572276592.db2.gz XFEHPQMWQMRNPV-HXUWFJFHSA-N -1 1 510.681 5.855 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1OC ZINC000408616790 572278919 /nfs/dbraw/zinc/27/89/19/572278919.db2.gz CBQICPBPBYAQBC-UHFFFAOYSA-N -1 1 601.725 5.655 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc2C)cc1C ZINC000408622833 572282401 /nfs/dbraw/zinc/28/24/01/572282401.db2.gz WBOYLZDGGKYAAB-UHFFFAOYSA-N -1 1 505.640 5.291 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)cc(I)c2OC)C(=O)[O-])n1 ZINC000408631246 572287256 /nfs/dbraw/zinc/28/72/56/572287256.db2.gz GXVNABPOCJYLMX-UUASQNMZSA-N -1 1 669.666 5.569 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000408630508 572286161 /nfs/dbraw/zinc/28/61/61/572286161.db2.gz AUOIKUWCZSRTCH-MSXFZWOLSA-N -1 1 551.455 7.008 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(OCc4cccc5ccccc54)c3)C(=O)[O-])n2)c1 ZINC000408631023 572286826 /nfs/dbraw/zinc/28/68/26/572286826.db2.gz BQJPIOXNJZWSIR-VYYCAZPPSA-N -1 1 539.613 6.439 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)[O-])n1 ZINC000408631247 572287269 /nfs/dbraw/zinc/28/72/69/572287269.db2.gz GXVZZRJAMIHSCP-UUYOSTAYSA-N -1 1 572.868 6.693 40 0 KKABMM O=C([O-])C(=Cc1cc(Br)c(N2CCCCC2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631743 572287895 /nfs/dbraw/zinc/28/78/95/572287895.db2.gz BLVYFQUPTCVCKH-WJDWOHSUSA-N -1 1 509.813 5.689 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631699 572287944 /nfs/dbraw/zinc/28/79/44/572287944.db2.gz APCAYOJSEPSQKO-FBHDLOMBSA-N -1 1 611.732 7.991 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(OCc4ccc(Cl)cc4)c3)C(=O)[O-])n2)c1 ZINC000408631812 572287989 /nfs/dbraw/zinc/28/79/89/572287989.db2.gz GNVLUBZNFZSQJL-KSEXSDGBSA-N -1 1 523.998 5.939 40 0 KKABMM CCn1c(S/C(=C\c2cc(Br)c(O)c(I)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631830 572288028 /nfs/dbraw/zinc/28/80/28/572288028.db2.gz GQZMCDNENGRENJ-IDUWFGFVSA-N -1 1 632.274 5.273 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C ZINC000408631770 572288062 /nfs/dbraw/zinc/28/80/62/572288062.db2.gz GGXBNCOZFCTTKR-QDTIIGTASA-N -1 1 575.687 6.610 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[O-])n1 ZINC000408631894 572288138 /nfs/dbraw/zinc/28/81/38/572288138.db2.gz MXJUOXBXDFGTBS-YSMPRRRNSA-N -1 1 578.477 7.737 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)[O-])n1 ZINC000408631883 572288156 /nfs/dbraw/zinc/28/81/56/572288156.db2.gz MUZUNQXGXCQKBT-UUYOSTAYSA-N -1 1 528.417 6.584 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408632285 572288621 /nfs/dbraw/zinc/28/86/21/572288621.db2.gz IKLPLTPXVHGFBY-MYKKPKGFSA-N -1 1 554.024 5.948 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)[O-])n2)c1 ZINC000408632509 572288852 /nfs/dbraw/zinc/28/88/52/572288852.db2.gz JIKGPSDXUOBYFD-ODLFYWEKSA-N -1 1 518.378 6.274 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n1 ZINC000408632811 572289233 /nfs/dbraw/zinc/28/92/33/572289233.db2.gz SYKBALGEVPPQCX-YVNNLAQVSA-N -1 1 562.862 7.237 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)[O-])n1 ZINC000408633094 572289716 /nfs/dbraw/zinc/28/97/16/572289716.db2.gz VWKBGQAXHNUGDK-MYKKPKGFSA-N -1 1 568.007 5.668 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)C(=O)[O-])n1 ZINC000408633071 572289737 /nfs/dbraw/zinc/28/97/37/572289737.db2.gz VRLYWRIHDSVAQS-FMCGGJTJSA-N -1 1 602.894 6.702 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])n1 ZINC000408633397 572290023 /nfs/dbraw/zinc/29/00/23/572290023.db2.gz YBZDUAXGOSFNLY-VROXFSQNSA-N -1 1 585.900 7.661 40 0 KKABMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccccc1 ZINC000408633392 572290099 /nfs/dbraw/zinc/29/00/99/572290099.db2.gz KGUXZFMTMWUEQC-IWIPYMOSSA-N -1 1 501.011 6.654 40 0 KKABMM O=C([O-])C(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633880 572290741 /nfs/dbraw/zinc/29/07/41/572290741.db2.gz MRVZZHHNJDXCLO-FMCGGJTJSA-N -1 1 555.874 7.653 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)[O-])n2)c1 ZINC000408634201 572291096 /nfs/dbraw/zinc/29/10/96/572291096.db2.gz RZPFZISIHBYDRP-RMORIDSASA-N -1 1 586.439 6.187 40 0 KKABMM COc1ccc2[nH]c(-c3ccccc3)c(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])c2c1 ZINC000408634610 572291713 /nfs/dbraw/zinc/29/17/13/572291713.db2.gz SIRQRUFWMAZGLQ-HMAPJEAMSA-N -1 1 502.983 6.500 40 0 KKABMM CCn1c(S/C(=C\c2cc(I)c(O)c(I)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634641 572291732 /nfs/dbraw/zinc/29/17/32/572291732.db2.gz SZCOLBZHGJPXDL-DHDCSXOGSA-N -1 1 653.667 5.751 40 0 KKABMM O=C([O-])C(=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc21)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634982 572292049 /nfs/dbraw/zinc/29/20/49/572292049.db2.gz WBTNBSRPNHBACE-MYYYXRDXSA-N -1 1 592.902 7.838 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635207 572292314 /nfs/dbraw/zinc/29/23/14/572292314.db2.gz YDIJUASHDVXNER-UUYOSTAYSA-N -1 1 507.955 5.651 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cccc2ccccc21 ZINC000408636489 572293453 /nfs/dbraw/zinc/29/34/53/572293453.db2.gz RBYWXBIGVDGJGN-UHFFFAOYSA-N -1 1 501.391 5.965 40 0 KKABMM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)CC2)c1C ZINC000408636849 572293854 /nfs/dbraw/zinc/29/38/54/572293854.db2.gz UWTFLFNAQWUVCE-UHFFFAOYSA-N -1 1 548.492 5.139 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408637114 572294160 /nfs/dbraw/zinc/29/41/60/572294160.db2.gz XVCWGZAAUDKLED-UHFFFAOYSA-N -1 1 554.666 6.772 40 0 KKABMM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)CC2)cc1 ZINC000408678907 572320065 /nfs/dbraw/zinc/32/00/65/572320065.db2.gz JZWQRSDJTHNPSI-UHFFFAOYSA-N -1 1 577.728 5.130 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCCc1ccccc1 ZINC000108423260 1069719004 /nfs/dbraw/zinc/71/90/04/1069719004.db2.gz UDHDPEFOMIPPOK-UHFFFAOYSA-N -1 1 600.719 7.286 40 0 KKABMM CCCC(=O)Oc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423300 1069720273 /nfs/dbraw/zinc/72/02/73/1069720273.db2.gz CPRYMLBVKYEBPC-UHFFFAOYSA-N -1 1 552.631 5.980 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)n1 ZINC000409091509 1069775701 /nfs/dbraw/zinc/77/57/01/1069775701.db2.gz UWAFCCGLOOYWTI-MEVAHUFZSA-N -1 1 616.124 5.076 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000408921637 1070229766 /nfs/dbraw/zinc/22/97/66/1070229766.db2.gz BMFVTEMOQRQTBC-UHFFFAOYSA-N -1 1 706.086 7.321 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccccc2)cc1 ZINC000408922312 1070232222 /nfs/dbraw/zinc/23/22/22/1070232222.db2.gz ZGYXVDPCDPLZTB-UHFFFAOYSA-N -1 1 600.118 5.374 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000408922390 1070240033 /nfs/dbraw/zinc/24/00/33/1070240033.db2.gz AFWXJIVRTDJQAI-UHFFFAOYSA-N -1 1 556.631 7.192 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000408923352 1070240547 /nfs/dbraw/zinc/24/05/47/1070240547.db2.gz CCSHIRHZMRBFAL-UHFFFAOYSA-N -1 1 640.887 5.327 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccc(Br)cc1 ZINC000408988336 1070347883 /nfs/dbraw/zinc/34/78/83/1070347883.db2.gz HQPXVYBABGNXSA-UHFFFAOYSA-N -1 1 525.468 7.073 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2cccc(Cl)c2)cc1 ZINC000409173160 1070588919 /nfs/dbraw/zinc/58/89/19/1070588919.db2.gz LJQDHYCRSYEDTF-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccccc2)cc1 ZINC000409172088 1070588025 /nfs/dbraw/zinc/58/80/25/1070588025.db2.gz HBJYTFFERTVZIZ-OVVQPSECSA-N -1 1 533.049 6.637 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1 ZINC000409369052 1070892201 /nfs/dbraw/zinc/89/22/01/1070892201.db2.gz ZJUNGQDAVCSZKF-UHFFFAOYSA-N -1 1 777.457 8.630 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000408906519 1070894848 /nfs/dbraw/zinc/89/48/48/1070894848.db2.gz GLLVWQVQKNXZHE-UHFFFAOYSA-N -1 1 591.076 7.845 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2C)c1 ZINC000409410268 1070919474 /nfs/dbraw/zinc/91/94/74/1070919474.db2.gz LYUKERHEYKMDEU-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409410289 1070919833 /nfs/dbraw/zinc/91/98/33/1070919833.db2.gz UWNROCNLRJHNEH-UHFFFAOYSA-N -1 1 641.771 6.731 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(I)cc1 ZINC000409409600 1070926971 /nfs/dbraw/zinc/92/69/71/1070926971.db2.gz IPSBEFWVVAXERK-UHFFFAOYSA-N -1 1 547.201 5.651 40 0 KKABMM O=C1[N-]C(=O)/C(=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)N1 ZINC000408917184 1070993052 /nfs/dbraw/zinc/99/30/52/1070993052.db2.gz OJVLHEHJTCHDKA-VCHYOVAHSA-N -1 1 502.162 5.124 40 0 KKABMM O=C1S/C(=C/c2cc(Cl)cc(I)c2[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000409230281 1071074687 /nfs/dbraw/zinc/07/46/87/1071074687.db2.gz XZMULXIAKXMCPD-MKMNVTDBSA-N -1 1 506.148 5.540 40 0 KKABMM O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408925117 1071079829 /nfs/dbraw/zinc/07/98/29/1071079829.db2.gz MLXYRZMVRMNBRO-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408925987 1071075733 /nfs/dbraw/zinc/07/57/33/1071075733.db2.gz WAWNUIOOYFAHND-GDLZYMKVSA-N -1 1 578.115 6.167 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000408925057 1071078871 /nfs/dbraw/zinc/07/88/71/1071078871.db2.gz SOSZTFLIPBJWIH-UHFFFAOYSA-N -1 1 725.039 5.763 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408925036 1071079064 /nfs/dbraw/zinc/07/90/64/1071079064.db2.gz SAJXBYYCDOQYDY-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cc(Cl)ccc2C)cc1 ZINC000408924724 1071081494 /nfs/dbraw/zinc/08/14/94/1071081494.db2.gz QHKZDXMDKXFLOH-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(Cl)cc2)cc1 ZINC000408923256 1071089072 /nfs/dbraw/zinc/08/90/72/1071089072.db2.gz AXRUZOCQMFZTQB-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000408921122 1071096623 /nfs/dbraw/zinc/09/66/23/1071096623.db2.gz SQKYTYUHABGTLC-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)cc2)c1 ZINC000408920823 1071098814 /nfs/dbraw/zinc/09/88/14/1071098814.db2.gz OIWKPYUFEZNJRK-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000408920856 1071098983 /nfs/dbraw/zinc/09/89/83/1071098983.db2.gz PUEJGHHGSXFEOQ-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C)cc2C)cc1 ZINC000408920268 1071106731 /nfs/dbraw/zinc/10/67/31/1071106731.db2.gz FAYBMELAVASTHY-UHFFFAOYSA-N -1 1 631.698 6.265 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408927685 1071192969 /nfs/dbraw/zinc/19/29/69/1071192969.db2.gz ZMJSOFNXOJZPEK-UHFFFAOYSA-N -1 1 654.088 6.002 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198318390 1071210389 /nfs/dbraw/zinc/21/03/89/1071210389.db2.gz VCEIHDDHMCBADE-UHFFFAOYSA-N -1 1 686.561 7.264 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C(C)C ZINC000408681878 1071372995 /nfs/dbraw/zinc/37/29/95/1071372995.db2.gz ZYYJMFKJRGZFKJ-UHFFFAOYSA-N -1 1 539.473 5.183 40 0 KKABMM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408681268 1071375615 /nfs/dbraw/zinc/37/56/15/1071375615.db2.gz RFVSLQJBMHRXBG-HXUWFJFHSA-N -1 1 508.518 5.311 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1OCC ZINC000408696047 1071381502 /nfs/dbraw/zinc/38/15/02/1071381502.db2.gz ZFGZKFGKNMXBBB-UHFFFAOYSA-N -1 1 526.636 5.239 40 0 KKABMM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408695546 1071382825 /nfs/dbraw/zinc/38/28/25/1071382825.db2.gz RCBUVSWEQWMZQE-UHFFFAOYSA-N -1 1 507.439 6.109 40 0 KKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c(C)c1 ZINC000408695511 1071382951 /nfs/dbraw/zinc/38/29/51/1071382951.db2.gz VRXXRFAWWHONTF-KRWDZBQOSA-N -1 1 503.418 5.273 40 0 KKABMM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408695031 1071385796 /nfs/dbraw/zinc/38/57/96/1071385796.db2.gz OBMOOKINWVYCIS-FQEVSTJZSA-N -1 1 542.963 5.964 40 0 KKABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000408693244 1071391722 /nfs/dbraw/zinc/39/17/22/1071391722.db2.gz YQIZXBKUZRAWLV-UHFFFAOYSA-N -1 1 613.705 5.268 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408692998 1071393062 /nfs/dbraw/zinc/39/30/62/1071393062.db2.gz AQLSKEPYHYSKQO-UHFFFAOYSA-N -1 1 646.109 5.985 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693470 1071390772 /nfs/dbraw/zinc/39/07/72/1071390772.db2.gz VWJCIBDTLUOQSU-UHFFFAOYSA-N -1 1 612.557 5.620 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1Cl ZINC000408704547 1071439061 /nfs/dbraw/zinc/43/90/61/1071439061.db2.gz PILGMMSUJOGJNK-UHFFFAOYSA-N -1 1 570.092 5.530 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704361 1071439815 /nfs/dbraw/zinc/43/98/15/1071439815.db2.gz MMZOJMKWVGWYFK-LJAQVGFWSA-N -1 1 657.011 6.930 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408705139 1071436286 /nfs/dbraw/zinc/43/62/86/1071436286.db2.gz YSELCQAOXOWJPA-GDLZYMKVSA-N -1 1 646.112 7.186 40 0 KKABMM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408703389 1071444992 /nfs/dbraw/zinc/44/49/92/1071444992.db2.gz QPXCDCHQMOETIE-UHFFFAOYSA-N -1 1 512.937 5.957 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000408714985 1071470969 /nfs/dbraw/zinc/47/09/69/1071470969.db2.gz SYSRLYFZFRQQKP-UHFFFAOYSA-N -1 1 614.598 5.943 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)N1CCCC1 ZINC000408715036 1071471989 /nfs/dbraw/zinc/47/19/89/1071471989.db2.gz YENAGLOXKXHREN-UHFFFAOYSA-N -1 1 600.571 5.553 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714837 1071473631 /nfs/dbraw/zinc/47/36/31/1071473631.db2.gz PVIGCFUWNPVTGP-UHFFFAOYSA-N -1 1 614.598 5.943 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)cc2)cc1 ZINC000408714588 1071476285 /nfs/dbraw/zinc/47/62/85/1071476285.db2.gz HRWCLYOIGRDETB-UHFFFAOYSA-N -1 1 603.788 5.425 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)c(C)c3)cc2)cc1 ZINC000408712157 1071486494 /nfs/dbraw/zinc/48/64/94/1071486494.db2.gz IVSCRFAUEDWENP-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000408712306 1071483424 /nfs/dbraw/zinc/48/34/24/1071483424.db2.gz KJARCBMVPQBCPF-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1Cl ZINC000408712408 1071485528 /nfs/dbraw/zinc/48/55/28/1071485528.db2.gz YYCMHGSYMKYLRZ-GOSISDBHSA-N -1 1 588.107 5.096 40 0 KKABMM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408712246 1071488624 /nfs/dbraw/zinc/48/86/24/1071488624.db2.gz BONBMXDMLDQYGM-UHFFFAOYSA-N -1 1 673.427 7.320 40 0 KKABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408712265 1071488848 /nfs/dbraw/zinc/48/88/48/1071488848.db2.gz FVTCUUROFWAZCR-HNNXBMFYSA-N -1 1 624.490 5.915 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)cc2C)cc1 ZINC000408712257 1071488859 /nfs/dbraw/zinc/48/88/59/1071488859.db2.gz CNYKCTQOWAOMER-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3C)cc2)c(C)c1 ZINC000408712145 1071490250 /nfs/dbraw/zinc/49/02/50/1071490250.db2.gz GHWXNWKZFHZLSL-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2)S(C)(=O)=O)c1 ZINC000408711437 1071492469 /nfs/dbraw/zinc/49/24/69/1071492469.db2.gz WYURIDFKFIHVOH-UHFFFAOYSA-N -1 1 617.671 6.033 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000408711442 1071492544 /nfs/dbraw/zinc/49/25/44/1071492544.db2.gz XQFVJCQOMCCVQE-UHFFFAOYSA-N -1 1 581.691 5.462 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)S(C)(=O)=O)c1 ZINC000408711532 1071494644 /nfs/dbraw/zinc/49/46/44/1071494644.db2.gz UOQWKDUVTROFCZ-UHFFFAOYSA-N -1 1 628.570 5.777 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)c2)cc1 ZINC000408711298 1071496296 /nfs/dbraw/zinc/49/62/96/1071496296.db2.gz FKKZABKFXHNBIC-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000408711299 1071496391 /nfs/dbraw/zinc/49/63/91/1071496391.db2.gz FPDDXAGNFOJQSL-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3)cc2C)cc1 ZINC000408711336 1071497219 /nfs/dbraw/zinc/49/72/19/1071497219.db2.gz JTNCSRVFJSNTJC-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3C)cc2)cc1C ZINC000408711109 1071505180 /nfs/dbraw/zinc/50/51/80/1071505180.db2.gz GHMGXXQQLLPUFQ-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM CCCCCO[C@@H]1C=CC=C[C@@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408737135 1071552630 /nfs/dbraw/zinc/55/26/30/1071552630.db2.gz KUNYLSCIUKBRKB-RRPNLBNLSA-N -1 1 524.665 6.536 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408992913 1071568378 /nfs/dbraw/zinc/56/83/78/1071568378.db2.gz UZCSPVOXHAKAOV-UHFFFAOYSA-N -1 1 501.435 7.227 40 0 KKABMM Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)o3)[n-]c(=O)c2c1C ZINC000408988022 1071608738 /nfs/dbraw/zinc/60/87/38/1071608738.db2.gz CHLNSIWJYYVNPY-UHFFFAOYSA-N -1 1 556.650 6.835 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409000540 1071649316 /nfs/dbraw/zinc/64/93/16/1071649316.db2.gz TWUBWTKQAKIXOM-HZHYMEEXSA-N -1 1 607.551 5.126 40 0 KKABMM O=c1/c(=C/c2cc(Br)cc(I)c2[O-])sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757455 1071712016 /nfs/dbraw/zinc/71/20/16/1071712016.db2.gz NMEDRQVSMVDRIS-MFUBYVTQSA-N -1 1 641.328 5.391 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409054151 1071935272 /nfs/dbraw/zinc/93/52/72/1071935272.db2.gz NCYSOOKMUIDTBP-ZNQKWNQWSA-N -1 1 678.371 5.008 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409061252 1072030054 /nfs/dbraw/zinc/03/00/54/1072030054.db2.gz YNOAIUMCOFAWEW-JAYSWQADSA-N -1 1 714.423 6.070 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409060626 1072033752 /nfs/dbraw/zinc/03/37/52/1072033752.db2.gz VOSPYYSIXSBVGR-OFCKJYIJSA-N -1 1 731.406 5.407 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409059972 1072036471 /nfs/dbraw/zinc/03/64/71/1072036471.db2.gz SZJRWNRYFCCXQZ-YOKWNPFVSA-N -1 1 706.787 5.600 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409095639 1072239552 /nfs/dbraw/zinc/23/95/52/1072239552.db2.gz BORKENCONOIFSQ-TUPCFRFDSA-N -1 1 719.639 5.645 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409095047 1072242533 /nfs/dbraw/zinc/24/25/33/1072242533.db2.gz HAFLJOYSCNUZGG-NIQJEMAJSA-N -1 1 706.040 5.551 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409089158 1072291215 /nfs/dbraw/zinc/29/12/15/1072291215.db2.gz NHBRAKSJYQKJGS-ZKZBLMLZSA-N -1 1 732.438 5.338 40 0 KKABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409100239 1072320662 /nfs/dbraw/zinc/32/06/62/1072320662.db2.gz VPVAYAIKXJUYSD-CKUFSQJBSA-N -1 1 766.490 5.279 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000409105376 1072349854 /nfs/dbraw/zinc/34/98/54/1072349854.db2.gz NCNMDCMMXORYRU-INRNSKLFSA-N -1 1 675.586 5.246 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409103882 1072357787 /nfs/dbraw/zinc/35/77/87/1072357787.db2.gz XGQSSHGQXILCHE-UJLHVFMHSA-N -1 1 631.135 5.137 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409104001 1072358319 /nfs/dbraw/zinc/35/83/19/1072358319.db2.gz IBTXCJSUWBTXEI-FQCPBGGASA-N -1 1 720.671 5.576 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409103877 1072357377 /nfs/dbraw/zinc/35/73/77/1072357377.db2.gz XGQSSHGQXILCHE-POVALPJUSA-N -1 1 631.135 5.137 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409102268 1072366548 /nfs/dbraw/zinc/36/65/48/1072366548.db2.gz YJRWXOZYWUQCFF-MTIYOZEWSA-N -1 1 710.031 5.900 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409107736 1072412409 /nfs/dbraw/zinc/41/24/09/1072412409.db2.gz QGTCUTRYDXAJON-HCSHXEOKSA-N -1 1 735.638 5.264 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409349491 1072549275 /nfs/dbraw/zinc/54/92/75/1072549275.db2.gz QLCOFDYLXUXCSI-UHFFFAOYSA-N -1 1 672.078 6.141 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000409367024 1072572076 /nfs/dbraw/zinc/57/20/76/1072572076.db2.gz ARHPDOAZOZJEKM-UHFFFAOYSA-N -1 1 500.620 5.946 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OC ZINC000409373564 1072624219 /nfs/dbraw/zinc/62/42/19/1072624219.db2.gz VRMFVMKTSOJSQS-UHFFFAOYSA-N -1 1 636.490 6.687 40 0 KKABMM CCN(CC)c1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409373583 1072624278 /nfs/dbraw/zinc/62/42/78/1072624278.db2.gz WCXHMSYBSCYEPN-UHFFFAOYSA-N -1 1 507.638 6.521 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(I)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409373321 1072642269 /nfs/dbraw/zinc/64/22/69/1072642269.db2.gz UHPORWNOFGJFLM-UHFFFAOYSA-N -1 1 552.372 5.873 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc3c(cc2Cl)OCO3)cc1 ZINC000409373130 1072643012 /nfs/dbraw/zinc/64/30/12/1072643012.db2.gz QOEJSEKRJAQSSS-UHFFFAOYSA-N -1 1 514.969 6.057 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1O ZINC000409372323 1072646615 /nfs/dbraw/zinc/64/66/15/1072646615.db2.gz KQOFUIOMRBMEBK-UHFFFAOYSA-N -1 1 575.463 6.542 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000409371251 1072650288 /nfs/dbraw/zinc/65/02/88/1072650288.db2.gz HGIVFZDZQHWICP-UHFFFAOYSA-N -1 1 607.110 7.916 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(C)c(Cl)c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409370846 1072652417 /nfs/dbraw/zinc/65/24/17/1072652417.db2.gz DUXYSUTYCOJVFY-UHFFFAOYSA-N -1 1 551.046 7.897 40 0 KKABMM CCOc1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1OCC ZINC000409368745 1072662570 /nfs/dbraw/zinc/66/25/70/1072662570.db2.gz KNVABJSAXMVAIJ-UHFFFAOYSA-N -1 1 524.621 6.472 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCC ZINC000409368552 1072664986 /nfs/dbraw/zinc/66/49/86/1072664986.db2.gz BNXWAOCAUQFWIX-UHFFFAOYSA-N -1 1 603.517 7.235 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(C)c(Br)c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409367994 1072666707 /nfs/dbraw/zinc/66/67/07/1072666707.db2.gz LCIYYCBQGHQSFI-UHFFFAOYSA-N -1 1 595.497 8.006 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409367733 1072668310 /nfs/dbraw/zinc/66/83/10/1072668310.db2.gz JUUXYWHJDLOZQW-UHFFFAOYSA-N -1 1 600.122 8.331 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409177046 1072708610 /nfs/dbraw/zinc/70/86/10/1072708610.db2.gz BOZFORNVXYIXFE-UHFFFAOYSA-N -1 1 669.008 6.680 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409176110 1072713404 /nfs/dbraw/zinc/71/34/04/1072713404.db2.gz HPBNPKNIXKNZQR-UHFFFAOYSA-N -1 1 650.178 6.527 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409173570 1072726670 /nfs/dbraw/zinc/72/66/70/1072726670.db2.gz LYXVUMGRWNEKFS-UHFFFAOYSA-N -1 1 720.620 5.118 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409172694 1072732207 /nfs/dbraw/zinc/73/22/07/1072732207.db2.gz GFSLZCFKFWZLCN-PMERELPUSA-N -1 1 636.593 6.319 40 0 KKABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409167863 1072758176 /nfs/dbraw/zinc/75/81/76/1072758176.db2.gz OQPBRZLZKBAPBT-UHFFFAOYSA-N -1 1 700.088 5.904 40 0 KKABMM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000409183210 1072784856 /nfs/dbraw/zinc/78/48/56/1072784856.db2.gz SOXAMFYTHAUIHT-UHFFFAOYSA-N -1 1 514.909 5.429 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409412668 1072785907 /nfs/dbraw/zinc/78/59/07/1072785907.db2.gz ZFRBBXIYPJDEKU-UHFFFAOYSA-N -1 1 632.591 6.499 40 0 KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409412730 1072786316 /nfs/dbraw/zinc/78/63/16/1072786316.db2.gz ZSHJDHRDGTUHEW-UHFFFAOYSA-N -1 1 556.065 5.218 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2C)cc1 ZINC000409412126 1072789777 /nfs/dbraw/zinc/78/97/77/1072789777.db2.gz RTQALLJULRBMBH-UHFFFAOYSA-N -1 1 507.011 6.802 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)ccc2C)c(C)c1 ZINC000409412095 1072789899 /nfs/dbraw/zinc/78/98/99/1072789899.db2.gz RASVOMLTXQORFH-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)ccc2C)c1 ZINC000409411881 1072792564 /nfs/dbraw/zinc/79/25/64/1072792564.db2.gz MUAOEGZREMUNKX-UHFFFAOYSA-N -1 1 598.146 6.428 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409411441 1072796311 /nfs/dbraw/zinc/79/63/11/1072796311.db2.gz WVWKTXTWKXRQDQ-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c1)CCCC2 ZINC000409411264 1072797326 /nfs/dbraw/zinc/79/73/26/1072797326.db2.gz VMXHIXURKRMWIR-UHFFFAOYSA-N -1 1 512.653 5.474 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)c1 ZINC000409411338 1072797887 /nfs/dbraw/zinc/79/78/87/1072797887.db2.gz GKCRLTNFCXFPOV-UHFFFAOYSA-N -1 1 534.419 5.578 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000409410785 1072800577 /nfs/dbraw/zinc/80/05/77/1072800577.db2.gz PWRGOYCOHUKSAP-UHFFFAOYSA-N -1 1 539.904 6.084 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)c1 ZINC000409410816 1072800883 /nfs/dbraw/zinc/80/08/83/1072800883.db2.gz QLGQOQSECPHRFD-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)c1 ZINC000409180871 1072801933 /nfs/dbraw/zinc/80/19/33/1072801933.db2.gz WPCHHFMQTRNPKJ-YTTGMZPUSA-N -1 1 585.751 6.173 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000409410332 1072804207 /nfs/dbraw/zinc/80/42/07/1072804207.db2.gz MLLOOZXENMPWBN-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2)cc1 ZINC000409409950 1072807723 /nfs/dbraw/zinc/80/77/23/1072807723.db2.gz SCENZJVMIGAMTJ-UHFFFAOYSA-N -1 1 600.118 5.535 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)c(C)c1 ZINC000409409316 1072810443 /nfs/dbraw/zinc/81/04/43/1072810443.db2.gz HIVWSVUBLICRAD-UHFFFAOYSA-N -1 1 599.734 6.619 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409409247 1072812146 /nfs/dbraw/zinc/81/21/46/1072812146.db2.gz GJNZDBCBERWJAL-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000409177735 1072821349 /nfs/dbraw/zinc/82/13/49/1072821349.db2.gz GSGFSZCZLFESEI-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409407514 1072821337 /nfs/dbraw/zinc/82/13/37/1072821337.db2.gz GMODISPPRWLSIP-UHFFFAOYSA-N -1 1 662.189 7.076 40 0 KKABMM O=C1S/C(=C/c2cc(I)cc(I)c2[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000409189991 1072873414 /nfs/dbraw/zinc/87/34/14/1072873414.db2.gz PHWDQFGNZCXGIZ-AWNIVKPZSA-N -1 1 583.572 5.496 40 0 KKABMM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000409189592 1072875155 /nfs/dbraw/zinc/87/51/55/1072875155.db2.gz RBRXXSPQHRWGTL-MFOYZWKCSA-N -1 1 510.797 5.334 40 0 KKABMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000409189592 1072875172 /nfs/dbraw/zinc/87/51/72/1072875172.db2.gz RBRXXSPQHRWGTL-MFOYZWKCSA-N -1 1 510.797 5.334 40 0 KKABMM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)c(Br)c1[O-] ZINC000409230265 1073071326 /nfs/dbraw/zinc/07/13/26/1073071326.db2.gz CWBJGAMDJJKDOV-RIYZIHGNSA-N -1 1 590.677 5.644 40 0 KKABMM COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000882900 551556101 /nfs/dbraw/zinc/55/61/01/551556101.db2.gz HOYASISTEFQYNS-UHFFFAOYSA-N -1 1 585.711 5.783 40 0 aggregator KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000000980310 551591797 /nfs/dbraw/zinc/59/17/97/551591797.db2.gz GMGXYDRGWUKGGO-UHFFFAOYSA-N -1 1 558.081 5.007 40 0 KKABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2)c1 ZINC000006141681 552542980 /nfs/dbraw/zinc/54/29/80/552542980.db2.gz QWKQSNVZNSAUIA-QFWMQHCXSA-N -1 1 501.645 5.265 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810551 553148560 /nfs/dbraw/zinc/14/85/60/553148560.db2.gz COBWRINOVSGUKL-UHFFFAOYSA-N -1 1 507.292 6.204 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)c2C)cc1 ZINC000010314267 553332724 /nfs/dbraw/zinc/33/27/24/553332724.db2.gz LDVALEHGVIEEMP-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2C)cc1 ZINC000010314173 553332754 /nfs/dbraw/zinc/33/27/54/553332754.db2.gz HLEIFFHSCLFGOY-UHFFFAOYSA-N -1 1 505.640 5.419 40 0 KKABMM Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314737 553333011 /nfs/dbraw/zinc/33/30/11/553333011.db2.gz SRTHCZFVPQSBMW-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)c2C)cc1 ZINC000010358062 553335129 /nfs/dbraw/zinc/33/51/29/553335129.db2.gz VLUKZVNSPHSFAE-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c2C)cc1 ZINC000010362293 553335501 /nfs/dbraw/zinc/33/55/01/553335501.db2.gz CZSQEXONKKRTEX-UHFFFAOYSA-N -1 1 507.011 6.802 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2C)cc1 ZINC000010360944 553335504 /nfs/dbraw/zinc/33/55/04/553335504.db2.gz WUIBYVPOGSKFHY-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3c(F)cccc3Cl)c2C)cc1 ZINC000010367789 553335876 /nfs/dbraw/zinc/33/58/76/553335876.db2.gz NEDAEKMZZBQVLB-UHFFFAOYSA-N -1 1 507.052 5.560 40 0 KKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000014397137 553514899 /nfs/dbraw/zinc/51/48/99/553514899.db2.gz FJGGSQKNPHTIPC-HNNXBMFYSA-N -1 1 512.937 5.874 40 0 KKABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000014400521 553515378 /nfs/dbraw/zinc/51/53/78/553515378.db2.gz FAEFRYGFTGCKLR-UHFFFAOYSA-N -1 1 508.518 5.313 40 0 KKABMM Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000020456061 553653321 /nfs/dbraw/zinc/65/33/21/553653321.db2.gz ZIJLPKCPAWIHPI-UHFFFAOYSA-N -1 1 504.439 5.065 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)c2)cc1 ZINC000020457816 553654083 /nfs/dbraw/zinc/65/40/83/553654083.db2.gz OQMVSLIXERUHOT-UHFFFAOYSA-N -1 1 526.058 5.718 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)ccc21 ZINC000020458541 553654303 /nfs/dbraw/zinc/65/43/03/553654303.db2.gz PPKNKICUSDSTOI-UHFFFAOYSA-N -1 1 504.011 6.521 40 0 KKABMM O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020459904 553654896 /nfs/dbraw/zinc/65/48/96/553654896.db2.gz XPZAXXMRPCSADX-UHFFFAOYSA-N -1 1 521.082 6.861 40 0 KKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020460341 553655191 /nfs/dbraw/zinc/65/51/91/553655191.db2.gz TYLPWZOISAZJHS-OAQYLSRUSA-N -1 1 507.381 5.185 40 0 KKABMM COc1cc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)ccc1OC(C)C ZINC000020481870 553657990 /nfs/dbraw/zinc/65/79/90/553657990.db2.gz NWMIAHHYCBOYCF-UHFFFAOYSA-N -1 1 503.020 5.175 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3ccc(Cl)cc3)c2)cc1 ZINC000020041130 553668914 /nfs/dbraw/zinc/66/89/14/553668914.db2.gz KJCRMCGHNPCOTI-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000020060859 553673019 /nfs/dbraw/zinc/67/30/19/553673019.db2.gz RXFQHKLKISUHKE-UHFFFAOYSA-N -1 1 500.201 5.809 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)cc1 ZINC000020571301 553674344 /nfs/dbraw/zinc/67/43/44/553674344.db2.gz JDLGBSJQOPIRBC-UHFFFAOYSA-N -1 1 504.995 5.933 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccccc2)cc1 ZINC000020061213 553674676 /nfs/dbraw/zinc/67/46/76/553674676.db2.gz UUDLFGCYYWBRNU-VFCFBJKWSA-N -1 1 512.631 6.292 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(Cl)c2)cc1 ZINC000020106826 553690151 /nfs/dbraw/zinc/69/01/51/553690151.db2.gz AOKGHMSEDGWFFR-UHFFFAOYSA-N -1 1 518.466 5.373 40 0 KKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000022109804 553726585 /nfs/dbraw/zinc/72/65/85/553726585.db2.gz SGQFJYJHFUGWFY-UHFFFAOYSA-N -1 1 511.873 6.030 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccccc1F ZINC000022110890 553726685 /nfs/dbraw/zinc/72/66/85/553726685.db2.gz FNAUCLAFBVTAGB-UHFFFAOYSA-N -1 1 515.408 5.841 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022110690 553726727 /nfs/dbraw/zinc/72/67/27/553726727.db2.gz NWWGTURLSDTZBY-UHFFFAOYSA-N -1 1 503.027 6.746 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022110957 553726799 /nfs/dbraw/zinc/72/67/99/553726799.db2.gz XYECHGHMSMDWJR-UHFFFAOYSA-N -1 1 502.427 6.031 40 0 KKABMM COc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022112318 553727087 /nfs/dbraw/zinc/72/70/87/553727087.db2.gz AQWNLGSAWWEAAS-UHFFFAOYSA-N -1 1 504.237 5.650 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000022111237 553727100 /nfs/dbraw/zinc/72/71/00/553727100.db2.gz DVUBISDUQPMNCZ-UHFFFAOYSA-N -1 1 517.438 6.254 40 0 KKABMM CCOc1c(Br)cc(Br)cc1CNn1c(=S)[n-]nc1-c1ccccc1OC ZINC000022111277 553727133 /nfs/dbraw/zinc/72/71/33/553727133.db2.gz XYFQCSDBNHXRLP-UHFFFAOYSA-N -1 1 514.243 5.284 40 0 KKABMM O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022521525 553744308 /nfs/dbraw/zinc/74/43/08/553744308.db2.gz FZSJGBDQYUUHIE-UHFFFAOYSA-N -1 1 513.402 6.839 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000026116176 553816507 /nfs/dbraw/zinc/81/65/07/553816507.db2.gz ZFOFOTFGWHRNAX-UHFFFAOYSA-N -1 1 512.722 6.128 40 0 KKABMM O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030754990 553856477 /nfs/dbraw/zinc/85/64/77/553856477.db2.gz YPJCPIJEIZPFCU-UHFFFAOYSA-N -1 1 512.031 5.409 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000030870105 553860186 /nfs/dbraw/zinc/86/01/86/553860186.db2.gz BAJCFEPSZZBZDO-AWEZNQCLSA-N -1 1 511.452 5.922 40 0 KKABMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000097964277 553896931 /nfs/dbraw/zinc/89/69/31/553896931.db2.gz AFUIPWLKHFEXEG-PDGQHHTCSA-N -1 1 545.733 5.383 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000033355491 553934967 /nfs/dbraw/zinc/93/49/67/553934967.db2.gz CZKTYPOIXMVYQB-LQWHRVPQSA-N -1 1 543.723 5.466 40 0 KKABMM Cc1cc(NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2C)cc([N-]S(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2C)c1C ZINC000097996159 554038379 /nfs/dbraw/zinc/03/83/79/554038379.db2.gz KATVVJBBZYOOEK-UHFFFAOYSA-N -1 1 662.746 6.212 40 0 KKABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000100091451 554211706 /nfs/dbraw/zinc/21/17/06/554211706.db2.gz JXXFCWWOHMJZQH-UHFFFAOYSA-N -1 1 519.859 5.698 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000100092493 554213116 /nfs/dbraw/zinc/21/31/16/554213116.db2.gz RWJGMUGDFRCCPY-HKBQPEDESA-N -1 1 613.717 5.377 40 0 KKABMM O=c1[nH]c2c(cccc2-c2ccccc2)c(O)c1[C@H](c1ccc(F)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100249983 554261957 /nfs/dbraw/zinc/26/19/57/554261957.db2.gz BFWHDZSPQLUGPV-PMERELPUSA-N -1 1 580.615 7.230 40 0 biogenic,in-vitro KKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000038772789 554277643 /nfs/dbraw/zinc/27/76/43/554277643.db2.gz PEUGDEJKOIWNGW-HSZRJFAPSA-N -1 1 506.546 5.919 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1C ZINC000044949729 554310735 /nfs/dbraw/zinc/31/07/35/554310735.db2.gz NLFPSYCRBPBAAP-UHFFFAOYSA-N -1 1 508.621 5.697 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)cc3[O-])oc2c(C)c1 ZINC000059331529 554389097 /nfs/dbraw/zinc/38/90/97/554389097.db2.gz DWKFWVIWIWGOAI-UHFFFAOYSA-N -1 1 523.614 6.523 40 0 KKABMM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)ccc2s1 ZINC000059837271 554442487 /nfs/dbraw/zinc/44/24/87/554442487.db2.gz GKQDEGGWDQEJNT-UHFFFAOYSA-N -1 1 565.456 5.813 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000059852644 554452206 /nfs/dbraw/zinc/45/22/06/554452206.db2.gz XCENOHFWZPRSEZ-UHFFFAOYSA-N -1 1 566.510 6.999 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000059858396 554455631 /nfs/dbraw/zinc/45/56/31/554455631.db2.gz MHOUFLCNTBTWGG-UHFFFAOYSA-N -1 1 549.674 5.014 40 0 KKABMM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C)cc2)cc1 ZINC000059881491 554456785 /nfs/dbraw/zinc/45/67/85/554456785.db2.gz YSFIWXNAQJATFC-UHFFFAOYSA-N -1 1 581.741 5.352 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1Cl ZINC000059881911 554457439 /nfs/dbraw/zinc/45/74/39/554457439.db2.gz UHZYZDUSUQRYCE-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(C)cc2)cc1 ZINC000059882753 554458953 /nfs/dbraw/zinc/45/89/53/554458953.db2.gz HAZONPPKHRNZKT-UHFFFAOYSA-N -1 1 607.754 5.645 40 0 KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059882802 554458971 /nfs/dbraw/zinc/45/89/71/554458971.db2.gz UUGLDWSQIJXZNA-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000059883695 554460803 /nfs/dbraw/zinc/46/08/03/554460803.db2.gz YIQCWNKBMKMBKF-SGWCAAJKSA-N -1 1 539.056 7.473 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884400 554462506 /nfs/dbraw/zinc/46/25/06/554462506.db2.gz LOLGUVSJJIHZBZ-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000059884378 554462522 /nfs/dbraw/zinc/46/25/22/554462522.db2.gz IJVZSTYCTIUUGO-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000059884589 554462676 /nfs/dbraw/zinc/46/26/76/554462676.db2.gz GNKAMBQBTHLBIM-UHFFFAOYSA-N -1 1 614.543 5.468 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059884771 554463267 /nfs/dbraw/zinc/46/32/67/554463267.db2.gz VVZBYTBEIHLLRR-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059884743 554463280 /nfs/dbraw/zinc/46/32/80/554463280.db2.gz WCLBAYWPLOWNTE-UHFFFAOYSA-N -1 1 578.499 5.352 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000059885482 554464371 /nfs/dbraw/zinc/46/43/71/554464371.db2.gz GKJMKDJZHHAQQF-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059885884 554465330 /nfs/dbraw/zinc/46/53/30/554465330.db2.gz ZFTZMOYAUOGZIA-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000059886053 554466138 /nfs/dbraw/zinc/46/61/38/554466138.db2.gz UPMNVUIDYBGKRY-UHFFFAOYSA-N -1 1 585.707 5.783 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886237 554466432 /nfs/dbraw/zinc/46/64/32/554466432.db2.gz JGTTTYBOMHCALN-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886448 554466678 /nfs/dbraw/zinc/46/66/78/554466678.db2.gz CGQVWZVKYJACNZ-UHFFFAOYSA-N -1 1 614.543 5.392 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccccc2Cl)cc1 ZINC000059886567 554467003 /nfs/dbraw/zinc/46/70/03/554467003.db2.gz YTCGKZLPVDAVNZ-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059886825 554467583 /nfs/dbraw/zinc/46/75/83/554467583.db2.gz MRMAYRDQZBPFPY-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000059887349 554468609 /nfs/dbraw/zinc/46/86/09/554468609.db2.gz AEZUCVHAPRQJCB-UHFFFAOYSA-N -1 1 597.718 6.135 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000059887877 554469657 /nfs/dbraw/zinc/46/96/57/554469657.db2.gz IXNPIGYUASJWMQ-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000059888485 554471327 /nfs/dbraw/zinc/47/13/27/554471327.db2.gz PNUQERZADMOUGK-UHFFFAOYSA-N -1 1 627.744 6.144 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888585 554471670 /nfs/dbraw/zinc/47/16/70/554471670.db2.gz NDXBQARMCOWZDK-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2)cc1 ZINC000059888785 554471821 /nfs/dbraw/zinc/47/18/21/554471821.db2.gz XVSPHEWOUBDEGB-UHFFFAOYSA-N -1 1 603.644 5.649 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059888769 554471829 /nfs/dbraw/zinc/47/18/29/554471829.db2.gz XEESRDQQUYUYRA-UHFFFAOYSA-N -1 1 579.700 5.029 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000059888959 554472118 /nfs/dbraw/zinc/47/21/18/554472118.db2.gz VEXBDIOAXFKSJC-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000059923231 554473177 /nfs/dbraw/zinc/47/31/77/554473177.db2.gz SSZCMCNYSLTKIB-QHCPKHFHSA-N -1 1 590.167 5.062 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)cc2)cc1 ZINC000059923821 554473986 /nfs/dbraw/zinc/47/39/86/554473986.db2.gz RUKYMXMAHHDKDY-UHFFFAOYSA-N -1 1 600.118 5.901 40 0 KKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000060017966 554488821 /nfs/dbraw/zinc/48/88/21/554488821.db2.gz BNDKGQDPURCQRN-NRFANRHFSA-N -1 1 529.005 6.669 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000060028239 554491427 /nfs/dbraw/zinc/49/14/27/554491427.db2.gz OJTNGUDTAWDVHN-UHFFFAOYSA-N -1 1 530.627 6.234 40 0 KKABMM Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000060028310 554491995 /nfs/dbraw/zinc/49/19/95/554491995.db2.gz KZKIQRVGQKSBHR-UHFFFAOYSA-N -1 1 541.673 6.598 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OCC ZINC000060028587 554493763 /nfs/dbraw/zinc/49/37/63/554493763.db2.gz LPMADBIPMZTSIA-UHFFFAOYSA-N -1 1 571.017 6.528 40 0 KKABMM O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000060028680 554494597 /nfs/dbraw/zinc/49/45/97/554494597.db2.gz JWGFBDUFXRERNI-UHFFFAOYSA-N -1 1 529.898 6.111 40 0 KKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)c2)cc1 ZINC000060028715 554494819 /nfs/dbraw/zinc/49/48/19/554494819.db2.gz SODHSRULZYSPBP-UHFFFAOYSA-N -1 1 562.091 6.943 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)cc1C ZINC000060028728 554494983 /nfs/dbraw/zinc/49/49/83/554494983.db2.gz JPJDCEKFSGPFMX-UHFFFAOYSA-N -1 1 569.727 7.215 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060043144 554497575 /nfs/dbraw/zinc/49/75/75/554497575.db2.gz UDJSYVYHEWRIQP-OAQYLSRUSA-N -1 1 610.585 5.407 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)c1 ZINC000060060765 554500859 /nfs/dbraw/zinc/50/08/59/554500859.db2.gz MOGMPGKRMLGTCL-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccc(Cl)cc1Cl ZINC000100931083 554527523 /nfs/dbraw/zinc/52/75/23/554527523.db2.gz TYRAZIYVFCEZQR-ULJKERAFSA-N -1 1 561.513 7.388 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000100959911 554542127 /nfs/dbraw/zinc/54/21/27/554542127.db2.gz JZBNMBMKICWKMU-UHFFFAOYSA-N -1 1 540.277 6.210 40 0 KKABMM O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356299 554915112 /nfs/dbraw/zinc/91/51/12/554915112.db2.gz VBFRIVKSHWYMBD-LBPRGKRZSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356417 554915482 /nfs/dbraw/zinc/91/54/82/554915482.db2.gz WGODOGPACJQMFT-SNVBAGLBSA-N -1 1 513.168 5.192 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102757703 555050293 /nfs/dbraw/zinc/05/02/93/555050293.db2.gz KXJMVBKSEQZRNO-OZNIXHKMSA-N -1 1 500.595 5.624 40 0 KKABMM O=C(c1ccc(Cl)cc1Cl)C1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000102811964 555075095 /nfs/dbraw/zinc/07/50/95/555075095.db2.gz LKLZRYIWPSGWBV-SSVAKIOMSA-N -1 1 518.400 5.008 40 0 KKABMM CC[C@]1(c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)cc2)CCC(=O)NC1=O ZINC000102912301 555142994 /nfs/dbraw/zinc/14/29/94/555142994.db2.gz ZGZYODWBFIQVSX-AREMUKBSSA-N -1 1 575.474 5.523 40 0 KKABMM COc1ccc(C(=O)[C@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000103559939 555448352 /nfs/dbraw/zinc/44/83/52/555448352.db2.gz BVPTWCNALFELOH-FFAHVWSXSA-N -1 1 595.449 5.907 40 0 KKABMM O=c1/c(=C\c2ccc([O-])c(Br)c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000103791036 555480569 /nfs/dbraw/zinc/48/05/69/555480569.db2.gz KXFZSZHQIKXLTI-ZDGAQAAHSA-N -1 1 549.877 5.440 40 0 KKABMM CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)[O-])c(F)c1 ZINC000163914635 562849499 /nfs/dbraw/zinc/84/94/99/562849499.db2.gz SOYCFODXNRVBTI-UHFFFAOYSA-N -1 1 669.804 6.330 40 0 in-vitro KKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc21 ZINC000104407019 571380916 /nfs/dbraw/zinc/38/09/16/571380916.db2.gz JCMJEWHIZRUSCM-UHFFFAOYSA-N -1 1 552.821 5.338 40 0 KKABMM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c([O-])c1 ZINC000105305392 571393640 /nfs/dbraw/zinc/39/36/40/571393640.db2.gz LINMWDDYAVTNQT-UHFFFAOYSA-N -1 1 619.335 6.984 40 0 KKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000105307280 571394551 /nfs/dbraw/zinc/39/45/51/571394551.db2.gz PKTAGBAAKRTJOG-RMKNXTFCSA-N -1 1 523.869 7.436 40 0 KKABMM COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)c([O-])c2)c(F)c1F ZINC000105309419 571395580 /nfs/dbraw/zinc/39/55/80/571395580.db2.gz FEHLCRCDRVQRIL-UHFFFAOYSA-N -1 1 533.503 6.016 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc2sncc2c1 ZINC000222838154 571404098 /nfs/dbraw/zinc/40/40/98/571404098.db2.gz CMNAZCGAHUYQMB-UHFFFAOYSA-N -1 1 508.408 5.421 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000105525064 571407324 /nfs/dbraw/zinc/40/73/24/571407324.db2.gz YTPUCHTWXOIQCU-UHFFFAOYSA-N -1 1 591.076 8.013 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)c(C)c1 ZINC000105681406 571408244 /nfs/dbraw/zinc/40/82/44/571408244.db2.gz GIFYTQUNQOQRRL-UHFFFAOYSA-N -1 1 534.419 5.578 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000108213599 571422700 /nfs/dbraw/zinc/42/27/00/571422700.db2.gz ALWYNOVPGLYQQL-UHFFFAOYSA-N -1 1 563.701 5.192 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000108524521 571426196 /nfs/dbraw/zinc/42/61/96/571426196.db2.gz SVDUGPPDCALLSJ-UHFFFAOYSA-N -1 1 552.071 6.284 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000109406681 571429174 /nfs/dbraw/zinc/42/91/74/571429174.db2.gz GPYMNDTYFRSKLX-HHHXNRCGSA-N -1 1 612.527 5.869 40 0 KKABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000110246898 571431015 /nfs/dbraw/zinc/43/10/15/571431015.db2.gz LEOAVCKYFIHWEN-GOSISDBHSA-N -1 1 558.081 5.087 40 0 KKABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000110354979 571431132 /nfs/dbraw/zinc/43/11/32/571431132.db2.gz VLACZQZHHNPYQN-CQSZACIVSA-N -1 1 610.463 5.606 40 0 KKABMM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(-c4nc5cc(Cl)ccc5o4)c([O-])c3)o2)cc1Cl ZINC000112237615 571434834 /nfs/dbraw/zinc/43/48/34/571434834.db2.gz ZPPMGJZKMCADLV-YRNVUSSQSA-N -1 1 564.450 7.602 40 0 KKABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000112256208 571437465 /nfs/dbraw/zinc/43/74/65/571437465.db2.gz DRLSGZPPWNTSAK-UHFFFAOYSA-N -1 1 565.717 5.442 40 0 KKABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000112257139 571437710 /nfs/dbraw/zinc/43/77/10/571437710.db2.gz HKGMOQALTSSGPU-UHFFFAOYSA-N -1 1 564.129 5.251 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1F)c1ccc(Cl)cc1Cl ZINC000113510909 571439342 /nfs/dbraw/zinc/43/93/42/571439342.db2.gz HYEKRYHYTWUTRY-UHFFFAOYSA-N -1 1 545.419 6.765 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)ccc2C)cc1 ZINC000113620360 571440928 /nfs/dbraw/zinc/44/09/28/571440928.db2.gz CATWHRGNIDCBGZ-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3)cc2C)cc1 ZINC000113620534 571440974 /nfs/dbraw/zinc/44/09/74/571440974.db2.gz KJFJKMZBOUJOJG-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)c(C)c1 ZINC000113620342 571441026 /nfs/dbraw/zinc/44/10/26/571441026.db2.gz OWYGCLGHJLOQCO-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000113620967 571441113 /nfs/dbraw/zinc/44/11/13/571441113.db2.gz QBMQACGBMYTIJQ-KRWDZBQOSA-N -1 1 570.520 5.204 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000113635148 571442081 /nfs/dbraw/zinc/44/20/81/571442081.db2.gz PFPISNSXEZHFIU-UHFFFAOYSA-N -1 1 621.634 5.864 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)CC3)cc2)c1 ZINC000113640649 571442311 /nfs/dbraw/zinc/44/23/11/571442311.db2.gz HWWSQKZXUTVIIH-UHFFFAOYSA-N -1 1 610.585 5.592 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OC ZINC000139724121 571453709 /nfs/dbraw/zinc/45/37/09/571453709.db2.gz GNYLIUQSSLCUGL-OAHLLOKOSA-N -1 1 551.484 5.386 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1Cl ZINC000140021486 571454433 /nfs/dbraw/zinc/45/44/33/571454433.db2.gz SODCOAALKDRUCO-UHFFFAOYSA-N -1 1 529.039 6.042 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000140118550 571455140 /nfs/dbraw/zinc/45/51/40/571455140.db2.gz NCMUVLSHGJLHMC-UHFFFAOYSA-N -1 1 553.105 6.873 40 0 KKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1C(C)C ZINC000223302272 571457669 /nfs/dbraw/zinc/45/76/69/571457669.db2.gz VPKOGWVHONCMBE-JOCHJYFZSA-N -1 1 508.684 6.344 40 0 KKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1C(C)C ZINC000223301658 571457675 /nfs/dbraw/zinc/45/76/75/571457675.db2.gz ICEYOISAFWNHBD-QFIPXVFZSA-N -1 1 508.684 6.344 40 0 KKABMM O=C(OC[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1nn[n-]n1)c1ccccc1 ZINC000150401147 571478219 /nfs/dbraw/zinc/47/82/19/571478219.db2.gz PPIWLJYBMXPJOB-KWRMZWAXSA-N -1 1 740.725 5.632 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000150421700 571487707 /nfs/dbraw/zinc/48/77/07/571487707.db2.gz JHGHZJUDEVPZDE-UHFFFAOYSA-N -1 1 631.003 5.937 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000150431079 571493299 /nfs/dbraw/zinc/49/32/99/571493299.db2.gz LIZCQHGJSCZASL-SANMLTNESA-N -1 1 662.971 5.498 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000150434037 571494692 /nfs/dbraw/zinc/49/46/92/571494692.db2.gz RJBIZQKVNNDDED-UHFFFAOYSA-N -1 1 683.433 6.699 40 0 KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000150435299 571495245 /nfs/dbraw/zinc/49/52/45/571495245.db2.gz INCGMURTSQDUIF-UHFFFAOYSA-N -1 1 658.507 6.890 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(F)cc2)cc1 ZINC000150436651 571496505 /nfs/dbraw/zinc/49/65/05/571496505.db2.gz TVOMXAWEGCJMAC-UHFFFAOYSA-N -1 1 632.135 5.821 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)cc1Cl ZINC000150455044 571504314 /nfs/dbraw/zinc/50/43/14/571504314.db2.gz SHINGLDMRHOZFL-UHFFFAOYSA-N -1 1 631.151 5.654 40 0 KKABMM O=c1/c(=C\c2cc(I)cc(I)c2[O-])sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163215202 571533067 /nfs/dbraw/zinc/53/30/67/571533067.db2.gz CERHOZDGPZGCFV-SEXPAEGTSA-N -1 1 767.224 5.996 40 0 KKABMM COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000163246995 571534016 /nfs/dbraw/zinc/53/40/16/571534016.db2.gz UZPHCQNKCQMUPH-YXDQGSNCSA-N -1 1 718.354 5.242 40 0 KKABMM O=c1/c(=C\c2cc(I)cc(I)c2[O-])sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000163294937 571534962 /nfs/dbraw/zinc/53/49/62/571534962.db2.gz PXRZERQVFUPUIU-LYRGBEMXSA-N -1 1 688.328 5.234 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2Cl)cc1 ZINC000197821017 571564613 /nfs/dbraw/zinc/56/46/13/571564613.db2.gz DDVNLAIPFLRKES-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(C)cc2)cc1Br ZINC000197822329 571564836 /nfs/dbraw/zinc/56/48/36/571564836.db2.gz UWYKRULEZWOWDE-UHFFFAOYSA-N -1 1 723.465 6.163 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccccc2C)cc1 ZINC000197824557 571565001 /nfs/dbraw/zinc/56/50/01/571565001.db2.gz RKXHVKBURLFOHR-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000197827696 571565148 /nfs/dbraw/zinc/56/51/48/571565148.db2.gz PREIFVXZDKKBMU-UHFFFAOYSA-N -1 1 696.203 6.154 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000197826365 571565229 /nfs/dbraw/zinc/56/52/29/571565229.db2.gz NOUOKUUIGDRXQC-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000197829144 571565447 /nfs/dbraw/zinc/56/54/47/571565447.db2.gz WCFKGTABSKNGLM-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000197830019 571565631 /nfs/dbraw/zinc/56/56/31/571565631.db2.gz XDIHKSOHPXMUGV-UHFFFAOYSA-N -1 1 640.570 6.781 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)cc1Cl ZINC000197852290 571565918 /nfs/dbraw/zinc/56/59/18/571565918.db2.gz MFUDITWKTXQGRN-UHFFFAOYSA-N -1 1 641.009 5.392 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000197968770 571566214 /nfs/dbraw/zinc/56/62/14/571566214.db2.gz TZPWBCPLGZTRHF-UHFFFAOYSA-N -1 1 620.934 5.956 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000197953201 571566233 /nfs/dbraw/zinc/56/62/33/571566233.db2.gz FKKXDSBXWWKLLY-UHFFFAOYSA-N -1 1 660.534 5.449 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3)c(Cl)c2)cc1 ZINC000197981325 571566393 /nfs/dbraw/zinc/56/63/93/571566393.db2.gz KZFKBEQZQLDHOT-UHFFFAOYSA-N -1 1 624.955 6.809 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c(Cl)c2)cc1 ZINC000198294002 571566756 /nfs/dbraw/zinc/56/67/56/571566756.db2.gz WJKQJFMBAKUGFD-UHFFFAOYSA-N -1 1 658.507 7.175 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198310067 571566997 /nfs/dbraw/zinc/56/69/97/571566997.db2.gz ZMHBRIQWZVBWHF-UHFFFAOYSA-N -1 1 692.952 7.300 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(Br)cc2)cc1 ZINC000198313727 571567208 /nfs/dbraw/zinc/56/72/08/571567208.db2.gz KBTPIDFCWMOOBV-UHFFFAOYSA-N -1 1 716.985 7.065 40 0 KKABMM O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000198314545 571567376 /nfs/dbraw/zinc/56/73/76/571567376.db2.gz GWGZXQDVCOOCHI-UHFFFAOYSA-N -1 1 624.062 5.994 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000198316074 571567469 /nfs/dbraw/zinc/56/74/69/571567469.db2.gz MCJVVEQHPGTGAW-UHFFFAOYSA-N -1 1 698.141 6.319 40 0 KKABMM O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198316266 571567485 /nfs/dbraw/zinc/56/74/85/571567485.db2.gz HOLCERWGFJCEMF-UHFFFAOYSA-N -1 1 702.958 6.756 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(C)cc2C)cc1 ZINC000198315025 571567489 /nfs/dbraw/zinc/56/74/89/571567489.db2.gz DVDQNIULKJIHNF-UHFFFAOYSA-N -1 1 666.143 6.919 40 0 KKABMM O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000198317475 571567607 /nfs/dbraw/zinc/56/76/07/571567607.db2.gz YSGIZFPODMQIFG-UHFFFAOYSA-N -1 1 650.576 6.237 40 0 KKABMM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000198319851 571567795 /nfs/dbraw/zinc/56/77/95/571567795.db2.gz WMXDHFKRLPMVEZ-UHFFFAOYSA-N -1 1 662.189 6.797 40 0 KKABMM Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000198319427 571567820 /nfs/dbraw/zinc/56/78/20/571567820.db2.gz VDJICEYPXZSCQU-UHFFFAOYSA-N -1 1 748.632 8.769 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1OC ZINC000215905473 571587198 /nfs/dbraw/zinc/58/71/98/571587198.db2.gz HXMLFIQYFMYHQX-UHFFFAOYSA-N -1 1 594.089 5.383 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)c2)cc1 ZINC000215905381 571587214 /nfs/dbraw/zinc/58/72/14/571587214.db2.gz CDYFKHCIYVBCRP-UHFFFAOYSA-N -1 1 624.062 6.521 40 0 KKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000215929130 571588154 /nfs/dbraw/zinc/58/81/54/571588154.db2.gz JLBAAYNHWVZMEV-UHFFFAOYSA-N -1 1 534.943 6.574 40 0 KKABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000215942693 571588853 /nfs/dbraw/zinc/58/88/53/571588853.db2.gz RYTBMAZBYVTXQM-UHFFFAOYSA-N -1 1 574.002 5.087 40 0 KKABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1N1CCCC1=O ZINC000215952380 571589154 /nfs/dbraw/zinc/58/91/54/571589154.db2.gz IQWZJNNXTJWNDH-UHFFFAOYSA-N -1 1 554.477 5.030 40 0 KKABMM O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215972640 571590000 /nfs/dbraw/zinc/59/00/00/571590000.db2.gz DCFABIPWAWXLEO-UHFFFAOYSA-N -1 1 529.898 6.111 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000215971895 571590027 /nfs/dbraw/zinc/59/00/27/571590027.db2.gz VUPNYURKNXUDSQ-UHFFFAOYSA-N -1 1 543.925 6.419 40 0 KKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000215981926 571590622 /nfs/dbraw/zinc/59/06/22/571590622.db2.gz ROKXYARZXCEVGO-OAQYLSRUSA-N -1 1 526.964 6.264 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000215992803 571591072 /nfs/dbraw/zinc/59/10/72/571591072.db2.gz SMBWUORMUYQAQZ-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM Cc1cc(I)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000216001896 571591533 /nfs/dbraw/zinc/59/15/33/571591533.db2.gz YNHHMCHYJWMCGS-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000216247811 571593798 /nfs/dbraw/zinc/59/37/98/571593798.db2.gz FWKHNYWCKMEWNQ-UHFFFAOYSA-N -1 1 572.630 6.930 40 0 KKABMM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000216278370 571593978 /nfs/dbraw/zinc/59/39/78/571593978.db2.gz IXDLLOCDWFKUBK-UHFFFAOYSA-N -1 1 525.413 6.278 40 0 KKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OC ZINC000216354014 571595274 /nfs/dbraw/zinc/59/52/74/571595274.db2.gz DJZPCNSONMUOOC-UHFFFAOYSA-N -1 1 508.621 5.389 40 0 KKABMM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000216424646 571596034 /nfs/dbraw/zinc/59/60/34/571596034.db2.gz RRHHTXKQJJLHMZ-UHFFFAOYSA-N -1 1 550.316 6.973 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(I)c1 ZINC000225018074 571639376 /nfs/dbraw/zinc/63/93/76/571639376.db2.gz BFCMWDZZXVGANZ-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c2ccccc2O1 ZINC000224987519 571636618 /nfs/dbraw/zinc/63/66/18/571636618.db2.gz CBUFFEBJCMBIBB-RUZDIDTESA-N -1 1 506.668 6.225 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)c(C)n(-c3cccc(Cl)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472938 571843038 /nfs/dbraw/zinc/84/30/38/571843038.db2.gz ONRPJCMOFVSWNK-WUFINQPMSA-N -1 1 596.178 6.008 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000225475614 571845745 /nfs/dbraw/zinc/84/57/45/571845745.db2.gz KZRMZPPSJMQTFJ-RPBOFIJWSA-N -1 1 588.542 5.736 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478718 571848636 /nfs/dbraw/zinc/84/86/36/571848636.db2.gz XVFWVMVOSLANQL-NSOVKSMOSA-N -1 1 561.733 5.105 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000225488287 571858946 /nfs/dbraw/zinc/85/89/46/571858946.db2.gz UTZOTSHOVXMAPE-SVBPBHIXSA-N -1 1 547.706 5.046 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000225488520 571859286 /nfs/dbraw/zinc/85/92/86/571859286.db2.gz INIVEONKWOQHTR-IZZNHLLZSA-N -1 1 568.124 5.391 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc3ccccc3c2)cc1[N-]S(C)(=O)=O ZINC000225488827 571859299 /nfs/dbraw/zinc/85/92/99/571859299.db2.gz IETRVQAIFISHPK-URLMMPGGSA-N -1 1 569.712 5.583 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225490439 571860493 /nfs/dbraw/zinc/86/04/93/571860493.db2.gz YOQITVJVNFNJSY-LOSJGSFVSA-N -1 1 599.532 5.661 40 0 KKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3)c2)cc1 ZINC000225746888 572059475 /nfs/dbraw/zinc/05/94/75/572059475.db2.gz RLXGFYIXNGVYII-UHFFFAOYSA-N -1 1 556.709 6.441 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3)ccc21 ZINC000225748264 572060131 /nfs/dbraw/zinc/06/01/31/572060131.db2.gz WAUVDJLXCOLOOG-UHFFFAOYSA-N -1 1 513.644 6.040 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225785279 572067584 /nfs/dbraw/zinc/06/75/84/572067584.db2.gz IMODFXKPXUQITB-UHFFFAOYSA-N -1 1 537.062 6.145 40 0 KKABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1C ZINC000225788684 572068549 /nfs/dbraw/zinc/06/85/49/572068549.db2.gz DZTDEBNPBZUSGZ-UHFFFAOYSA-N -1 1 517.028 5.051 40 0 KKABMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)ccc1N1CCCC1=O ZINC000225806106 572072651 /nfs/dbraw/zinc/07/26/51/572072651.db2.gz WYIRHWFLAYGDBF-UHFFFAOYSA-N -1 1 528.055 5.001 40 0 KKABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4nc(-c5cccs5)cc(C(F)(F)F)c4c3N)cc2)cc1 ZINC000261526611 572113189 /nfs/dbraw/zinc/11/31/89/572113189.db2.gz DMQFPIKMFRBZLO-UHFFFAOYSA-N -1 1 631.683 6.637 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)cc1 ZINC000226053177 572117797 /nfs/dbraw/zinc/11/77/97/572117797.db2.gz CEGODHNIUJLDGS-UHFFFAOYSA-N -1 1 518.639 5.464 40 0 KKABMM CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000226080835 572130755 /nfs/dbraw/zinc/13/07/55/572130755.db2.gz OLONJDWGTDEHHA-UHFFFAOYSA-N -1 1 572.308 6.445 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3O[C@@H]4CCCC[C@@H]4c4c(OC)ccc(OC)c43)c2)cc1OC ZINC000226432652 572137772 /nfs/dbraw/zinc/13/77/72/572137772.db2.gz SPSJFOSHBLSKGG-DKGMKSHISA-N -1 1 539.650 5.668 40 0 KKABMM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408531093 572174428 /nfs/dbraw/zinc/17/44/28/572174428.db2.gz LZSAAACSNOIEKM-UHFFFAOYSA-N -1 1 507.439 6.154 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3)ccc2C)c1 ZINC000408542988 572211469 /nfs/dbraw/zinc/21/14/69/572211469.db2.gz BQGZNTRHVYRTOC-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)ccc2C)c1 ZINC000408542995 572211562 /nfs/dbraw/zinc/21/15/62/572211562.db2.gz BSCBNEZVLIKIQP-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408544010 572214315 /nfs/dbraw/zinc/21/43/15/572214315.db2.gz GOVHOBQTTOBJMC-UHFFFAOYSA-N -1 1 577.728 5.501 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2ccc(Cl)cc2)cc1OC ZINC000408544065 572214644 /nfs/dbraw/zinc/21/46/44/572214644.db2.gz GVYUGUMUFRQFKO-UHFFFAOYSA-N -1 1 664.589 5.954 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1C ZINC000408544262 572215401 /nfs/dbraw/zinc/21/54/01/572215401.db2.gz CMBBLRIKDBEYMW-QFIPXVFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408545376 572218321 /nfs/dbraw/zinc/21/83/21/572218321.db2.gz KZRYFWRKDMEIRA-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408545354 572218572 /nfs/dbraw/zinc/21/85/72/572218572.db2.gz KTUKVFRAPFYJEH-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2c(F)cccc2Cl)ccc1C ZINC000408545424 572219022 /nfs/dbraw/zinc/21/90/22/572219022.db2.gz LLJBNNUHQJURHO-UHFFFAOYSA-N -1 1 507.052 5.560 40 0 KKABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1C ZINC000408545484 572219174 /nfs/dbraw/zinc/21/91/74/572219174.db2.gz RSMUVBDWIPXPCS-OAQYLSRUSA-N -1 1 551.690 5.051 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408545817 572221162 /nfs/dbraw/zinc/22/11/62/572221162.db2.gz ORJJKAJGTJHXRL-UHFFFAOYSA-N -1 1 643.831 6.513 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)ccc2C)c1 ZINC000408546080 572221601 /nfs/dbraw/zinc/22/16/01/572221601.db2.gz QJAXGIGJXPZURN-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1C ZINC000408546526 572223144 /nfs/dbraw/zinc/22/31/44/572223144.db2.gz FCHYECNWIUXGIB-UHFFFAOYSA-N -1 1 513.619 5.287 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)ccc2C)cc1C ZINC000408547880 572227301 /nfs/dbraw/zinc/22/73/01/572227301.db2.gz OEQJHLZWLAAXNQ-UHFFFAOYSA-N -1 1 530.715 7.266 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1Cl ZINC000408548200 572228476 /nfs/dbraw/zinc/22/84/76/572228476.db2.gz QKEOGZHCIZLAJX-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3Cl)ccc2C)c1 ZINC000408548462 572228927 /nfs/dbraw/zinc/22/89/27/572228927.db2.gz SBZQTVSSYJGUBH-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)ccc2C)c1 ZINC000408549059 572231081 /nfs/dbraw/zinc/23/10/81/572231081.db2.gz WGLAKSXSGUJXEB-UHFFFAOYSA-N -1 1 614.543 5.920 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1C ZINC000408549355 572231543 /nfs/dbraw/zinc/23/15/43/572231543.db2.gz YCEXOAKQFAIXMN-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1F ZINC000408555601 572243038 /nfs/dbraw/zinc/24/30/38/572243038.db2.gz BEFTUUFRKUULDG-UHFFFAOYSA-N -1 1 516.900 5.950 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557673 572245176 /nfs/dbraw/zinc/24/51/76/572245176.db2.gz HGFAGXWYAGFDDG-UHFFFAOYSA-N -1 1 553.773 6.727 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408561495 572248034 /nfs/dbraw/zinc/24/80/34/572248034.db2.gz TXDYUELKCKAGDF-UHFFFAOYSA-N -1 1 503.766 5.848 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408561658 572248486 /nfs/dbraw/zinc/24/84/86/572248486.db2.gz UQMFBUNDJNJTCY-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2ccccc2n3CC)cc1NC(=O)c1ccccc1 ZINC000408586465 572266207 /nfs/dbraw/zinc/26/62/07/572266207.db2.gz AIEPJQOPVFFWGU-UHFFFAOYSA-N -1 1 513.619 6.266 40 0 KKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)c1ccccc1 ZINC000408589936 572267429 /nfs/dbraw/zinc/26/74/29/572267429.db2.gz IHRDLMOBTPSMEV-OAHLLOKOSA-N -1 1 512.937 5.416 40 0 KKABMM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000408592059 572268469 /nfs/dbraw/zinc/26/84/69/572268469.db2.gz NMYMTVAIDDXVSB-UHFFFAOYSA-N -1 1 512.937 5.794 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NC1CCCCCCC1 ZINC000408592758 572268773 /nfs/dbraw/zinc/26/87/73/572268773.db2.gz OJNYWLFTDKFOKA-UHFFFAOYSA-N -1 1 518.985 5.768 40 0 KKABMM C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408596664 572271071 /nfs/dbraw/zinc/27/10/71/572271071.db2.gz XKLOHUHAZOOKNQ-QGZVFWFLSA-N -1 1 540.991 5.676 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NCc1ccc(Cl)cc1Cl ZINC000408597217 572271383 /nfs/dbraw/zinc/27/13/83/572271383.db2.gz XXZIGCYWFIQADF-UHFFFAOYSA-N -1 1 567.800 6.162 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(Br)cc1F ZINC000408604972 572274285 /nfs/dbraw/zinc/27/42/85/572274285.db2.gz MHEMFMFZJCBCNA-UHFFFAOYSA-N -1 1 513.772 5.060 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000408605906 572274605 /nfs/dbraw/zinc/27/46/05/572274605.db2.gz NVVJDZOOWCXVGW-UHFFFAOYSA-N -1 1 523.010 5.737 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000408610028 572275969 /nfs/dbraw/zinc/27/59/69/572275969.db2.gz ULOLNFPKLYNSOG-UHFFFAOYSA-N -1 1 552.880 6.196 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000408611429 572276598 /nfs/dbraw/zinc/27/65/98/572276598.db2.gz WZBPFABSRUNFIH-UHFFFAOYSA-N -1 1 514.909 5.186 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000408612905 572277130 /nfs/dbraw/zinc/27/71/30/572277130.db2.gz ZMWLAAWQXMWVQS-UHFFFAOYSA-N -1 1 525.051 6.310 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2C)c(C)c1 ZINC000408622668 572282228 /nfs/dbraw/zinc/28/22/28/572282228.db2.gz QJJOBWPDBRQHBX-UHFFFAOYSA-N -1 1 531.600 5.394 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3ccc(Cl)cc3Cl)C(=O)[O-])n2)c1 ZINC000408630763 572286534 /nfs/dbraw/zinc/28/65/34/572286534.db2.gz AVDAZHPWKVEPOE-KSEXSDGBSA-N -1 1 558.443 6.593 40 0 KKABMM COC(=O)c1cc(-c2ccc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])o2)ccc1Cl ZINC000408631381 572287404 /nfs/dbraw/zinc/28/74/04/572287404.db2.gz IEEHWYFBBOWMFK-JAIQZWGSSA-N -1 1 546.388 6.052 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccn2-c2ccc(Br)cc2)C(=O)[O-])n1 ZINC000408631369 572287425 /nfs/dbraw/zinc/28/74/25/572287425.db2.gz IAKIGTSUJLNCHQ-UNOMPAQXSA-N -1 1 531.819 5.905 40 0 KKABMM CCn1c(S/C(=C\c2cc(Br)c(O)c(I)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631568 572287760 /nfs/dbraw/zinc/28/77/60/572287760.db2.gz FQVJATZOJROSLK-DHDCSXOGSA-N -1 1 606.667 5.909 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)[O-])n1 ZINC000408631574 572287765 /nfs/dbraw/zinc/28/77/65/572287765.db2.gz KKZOWRAEHUMLON-UUYOSTAYSA-N -1 1 511.962 6.070 40 0 KKABMM O=C([O-])C(=Cc1cc(Cl)ccc1OCc1ccc(F)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631669 572287862 /nfs/dbraw/zinc/28/78/62/572287862.db2.gz AHEOFZURQJAVBQ-MTJSOVHGSA-N -1 1 516.381 6.714 40 0 KKABMM CCOc1c(Br)cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1OC ZINC000408631655 572287873 /nfs/dbraw/zinc/28/78/73/572287873.db2.gz LAGVHZGKHHERCW-MFOYZWKCSA-N -1 1 540.823 5.521 40 0 KKABMM COc1c(Br)cc(Br)cc1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000408632060 572288298 /nfs/dbraw/zinc/28/82/98/572288298.db2.gz DAAGZWHLSWPBKE-AUWJEWJLSA-N -1 1 545.640 5.877 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)C(=O)[O-])n1 ZINC000408632585 572288939 /nfs/dbraw/zinc/28/89/39/572288939.db2.gz ROEFREIZITXQFN-JJFYIABZSA-N -1 1 620.884 6.841 40 0 KKABMM O=C([O-])C(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632945 572289558 /nfs/dbraw/zinc/28/95/58/572289558.db2.gz HXMKQNZVNXZJDS-NDENLUEZSA-N -1 1 715.738 7.131 40 0 KKABMM O=C([O-])C(=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632925 572289560 /nfs/dbraw/zinc/28/95/60/572289560.db2.gz HQJSTKPQPQSTAK-NHDPSOOVSA-N -1 1 532.836 7.229 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccccc3F)c(OC)c2)C(=O)[O-])n1 ZINC000408633092 572289691 /nfs/dbraw/zinc/28/96/91/572289691.db2.gz VWJCJTXKZJHXNM-FMCGGJTJSA-N -1 1 541.988 6.078 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C(=O)[O-])n1 ZINC000408633150 572289850 /nfs/dbraw/zinc/28/98/50/572289850.db2.gz WLLIRLWWIFJSBS-YSMPRRRNSA-N -1 1 562.022 7.223 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)[O-])n1 ZINC000408633159 572289881 /nfs/dbraw/zinc/28/98/81/572289881.db2.gz WQHRRLZLBXMSPZ-JJFYIABZSA-N -1 1 562.862 7.237 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cccc(Br)c4)o3)C(=O)[O-])n2)c1 ZINC000408633731 572290460 /nfs/dbraw/zinc/29/04/60/572290460.db2.gz OWNWWBPGWONJNF-NDENLUEZSA-N -1 1 528.384 5.729 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(I)c1OCc1ccccc1Cl ZINC000408633749 572290614 /nfs/dbraw/zinc/29/06/14/572290614.db2.gz MAGJRNFUYCJGQY-MTJSOVHGSA-N -1 1 654.313 7.189 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408633924 572290868 /nfs/dbraw/zinc/29/08/68/572290868.db2.gz NLWFRYIWTTVGCU-MTJSOVHGSA-N -1 1 590.858 6.832 40 0 KKABMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408634131 572291077 /nfs/dbraw/zinc/29/10/77/572291077.db2.gz PNHGSZSGYRUFLK-OYKKKHCWSA-N -1 1 535.456 7.308 40 0 KKABMM O=C([O-])/C(=C/c1cc(Br)c(O)c(I)c1)Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000408634398 572291335 /nfs/dbraw/zinc/29/13/35/572291335.db2.gz QQVHXRMWTMHAOC-QPEQYQDCSA-N -1 1 579.597 5.681 40 0 KKABMM CCOc1c(Br)cc(Br)cc1C=C(Sc1nc(-c2cc(OC)cc(OC)c2)n[nH]1)C(=O)[O-] ZINC000408634666 572291695 /nfs/dbraw/zinc/29/16/95/572291695.db2.gz WGUPJGGFGUOGSZ-IUXPMGMMSA-N -1 1 585.274 5.630 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408634633 572291719 /nfs/dbraw/zinc/29/17/19/572291719.db2.gz SSPDVFRIDVHUGN-BKUYFWCQSA-N -1 1 572.868 6.693 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3ccc(Br)cc3)C(=O)[O-])n2)c1 ZINC000408634688 572291726 /nfs/dbraw/zinc/29/17/26/572291726.db2.gz WMOBSPNYGORPNW-QRVIBDJDSA-N -1 1 568.449 6.048 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408634632 572291734 /nfs/dbraw/zinc/29/17/34/572291734.db2.gz SSLKUMPQXCJSLU-QQXSKIMKSA-N -1 1 544.032 7.084 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OCc4ccccc4F)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408635122 572292171 /nfs/dbraw/zinc/29/21/71/572292171.db2.gz ZAECWIRMYCPHFZ-RMORIDSASA-N -1 1 663.465 6.038 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408635103 572292210 /nfs/dbraw/zinc/29/22/10/572292210.db2.gz YUNBDCVQBMPYET-MXAYSNPKSA-N -1 1 573.606 5.439 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(Br)cc1OCc1ccccc1 ZINC000408635222 572292294 /nfs/dbraw/zinc/29/22/94/572292294.db2.gz YLJOQOUIYBTHJP-UUYOSTAYSA-N -1 1 572.868 6.693 40 0 KKABMM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635408 572292430 /nfs/dbraw/zinc/29/24/30/572292430.db2.gz AQZKZNYWDXETSM-KRWDZBQOSA-N -1 1 507.439 5.311 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000408636315 572293205 /nfs/dbraw/zinc/29/32/05/572293205.db2.gz ODMUKUCBDFVTLG-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cccc(Cl)c1 ZINC000408678263 572319658 /nfs/dbraw/zinc/31/96/58/572319658.db2.gz DTNUBGWIFXKVAG-UHFFFAOYSA-N -1 1 600.944 5.088 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000408678886 572320051 /nfs/dbraw/zinc/32/00/51/572320051.db2.gz JFZCPNCYVQOTSZ-UHFFFAOYSA-N -1 1 626.982 5.084 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)cc1 ZINC000408679569 572320510 /nfs/dbraw/zinc/32/05/10/572320510.db2.gz NXLLEBSQQCRSFJ-UHFFFAOYSA-N -1 1 590.938 5.633 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(C)C ZINC000108423263 1069719098 /nfs/dbraw/zinc/71/90/98/1069719098.db2.gz IHQAGGQQLHTLIK-UHFFFAOYSA-N -1 1 538.648 6.452 40 0 KKABMM CCOc1cc(N(CC)CC)ccc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423233 1069719615 /nfs/dbraw/zinc/71/96/15/1069719615.db2.gz JNIADJZDLKYGPI-UHFFFAOYSA-N -1 1 551.691 6.511 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715030 1069727317 /nfs/dbraw/zinc/72/73/17/1069727317.db2.gz XTWYQWPAMFFCMI-UHFFFAOYSA-N -1 1 608.207 5.844 40 0 KKABMM O=C1S/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000409188492 1069798213 /nfs/dbraw/zinc/79/82/13/1069798213.db2.gz BZVWGESDRBVKHW-MLPAPPSSSA-N -1 1 536.572 5.654 40 0 KKABMM Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(Br)cc(I)c2[O-])S1 ZINC000408810006 1069962836 /nfs/dbraw/zinc/96/28/36/1069962836.db2.gz ITMIMQGWEMUWEA-UHFFFAOYSA-N -1 1 550.623 5.484 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000408920174 1070225324 /nfs/dbraw/zinc/22/53/24/1070225324.db2.gz ABSILJIERWOYQP-UHFFFAOYSA-N -1 1 642.597 6.009 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000408926132 1070237689 /nfs/dbraw/zinc/23/76/89/1070237689.db2.gz OZLOEYYTGFOXHI-UHFFFAOYSA-N -1 1 659.786 6.109 40 0 KKABMM O=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408924462 1070243031 /nfs/dbraw/zinc/24/30/31/1070243031.db2.gz OMZVOAPPACVKOF-UHFFFAOYSA-N -1 1 593.874 6.794 40 0 KKABMM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408927677 1070247627 /nfs/dbraw/zinc/24/76/27/1070247627.db2.gz ZHOLDFQRCZEHEB-HNNXBMFYSA-N -1 1 529.005 6.420 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)c(Br)cc1OCc1ccccc1 ZINC000408993992 1070369861 /nfs/dbraw/zinc/36/98/61/1070369861.db2.gz XWKNEZDLYWNJPN-UHFFFAOYSA-N -1 1 511.441 6.683 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408994908 1070371571 /nfs/dbraw/zinc/37/15/71/1070371571.db2.gz HSZUZTQLPUKYAA-WDONWYDGSA-N -1 1 733.447 5.730 40 0 KKABMM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(Br)c(Sc5nc(C)cc(=O)[n-]5)o4)c(=O)n32)c(OC)c1 ZINC000409108619 1070542742 /nfs/dbraw/zinc/54/27/42/1070542742.db2.gz XGSQSERLCNXXAX-LMVGNEGFSA-N -1 1 720.627 5.202 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409169778 1070579808 /nfs/dbraw/zinc/57/98/08/1070579808.db2.gz ZXEPTSUODGWAOD-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2)cc1 ZINC000409177682 1070592924 /nfs/dbraw/zinc/59/29/24/1070592924.db2.gz BZPZYXFJUJLHBP-UHFFFAOYSA-N -1 1 604.537 6.180 40 0 KKABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)c(Br)c(Br)c1OCc1ccccc1 ZINC000409258882 1070680489 /nfs/dbraw/zinc/68/04/89/1070680489.db2.gz YBWUXXOWSHSYMJ-UHFFFAOYSA-N -1 1 516.189 6.115 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3cccc(Cl)c3Cl)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368322 1070891401 /nfs/dbraw/zinc/89/14/01/1070891401.db2.gz XZCJYGDECQARGT-UHFFFAOYSA-N -1 1 571.464 8.242 40 0 KKABMM COc1cc(OC)c(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1Br ZINC000409368885 1070892360 /nfs/dbraw/zinc/89/23/60/1070892360.db2.gz RDZQXJXZBRVKFX-UHFFFAOYSA-N -1 1 575.463 6.455 40 0 KKABMM CC(C)COc1ccc(CCc2nc(N3CCN(Cc4ccccc4-c4ccccc4)CC3)ncc2C(=O)[O-])cc1 ZINC000585267686 1071006615 /nfs/dbraw/zinc/00/66/15/1071006615.db2.gz URALKDYJHXLDCX-UHFFFAOYSA-N -1 1 550.703 5.984 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408926655 1071071499 /nfs/dbraw/zinc/07/14/99/1071071499.db2.gz VRTXIJCRJDUTIJ-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408926458 1071073686 /nfs/dbraw/zinc/07/36/86/1071073686.db2.gz YBVPTYCAGKXRRH-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408927170 1071070182 /nfs/dbraw/zinc/07/01/82/1071070182.db2.gz SXKYDYDIHAHZPT-UHFFFAOYSA-N -1 1 603.644 5.649 40 0 KKABMM O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408926120 1071075392 /nfs/dbraw/zinc/07/53/92/1071075392.db2.gz XQOVAEBDOGPYSV-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408926014 1071076392 /nfs/dbraw/zinc/07/63/92/1071076392.db2.gz MTBJWVQICMEXBG-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408922262 1071090796 /nfs/dbraw/zinc/09/07/96/1071090796.db2.gz YVMABILCZUIFRG-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1 ZINC000408921062 1071098368 /nfs/dbraw/zinc/09/83/68/1071098368.db2.gz RMCAPEZTJYBOGS-UHFFFAOYSA-N -1 1 684.183 7.024 40 0 KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408920833 1071098729 /nfs/dbraw/zinc/09/87/29/1071098729.db2.gz OWUQEMUVFBGVTC-UHFFFAOYSA-N -1 1 589.617 5.584 40 0 KKABMM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1 ZINC000408920239 1071105853 /nfs/dbraw/zinc/10/58/53/1071105853.db2.gz COXJFALTENIOMW-UHFFFAOYSA-N -1 1 649.738 6.371 40 0 KKABMM O=C1[N-]C(=O)/C(=C\c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)N1 ZINC000408917580 1071144566 /nfs/dbraw/zinc/14/45/66/1071144566.db2.gz XTFLOGJCQDXRSX-VCHYOVAHSA-N -1 1 502.162 5.124 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408927596 1071195786 /nfs/dbraw/zinc/19/57/86/1071195786.db2.gz YAPSQKLIRJORCV-UHFFFAOYSA-N -1 1 579.700 5.029 40 0 KKABMM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408682333 1071370572 /nfs/dbraw/zinc/37/05/72/1071370572.db2.gz XIXUYLSJGJUZFG-FQEVSTJZSA-N -1 1 509.411 5.599 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)cc1Cl ZINC000408681799 1071372579 /nfs/dbraw/zinc/37/25/79/1071372579.db2.gz ZJIDVAIHDUGVEX-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408681697 1071372936 /nfs/dbraw/zinc/37/29/36/1071372936.db2.gz IGLYDFYPPOZPBK-JOCHJYFZSA-N -1 1 530.256 6.907 40 0 KKABMM O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408681274 1071375532 /nfs/dbraw/zinc/37/55/32/1071375532.db2.gz RGAZEFOAZHJAOY-UHFFFAOYSA-N -1 1 606.484 5.748 40 0 KKABMM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000408681007 1071376761 /nfs/dbraw/zinc/37/67/61/1071376761.db2.gz VOZUWJBNGPJRPR-QGZVFWFLSA-N -1 1 503.418 5.273 40 0 KKABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)CC2)cc1 ZINC000408695699 1071382281 /nfs/dbraw/zinc/38/22/81/1071382281.db2.gz XMLCNENEZQNXRR-UHFFFAOYSA-N -1 1 594.180 5.211 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 ZINC000408695780 1071382785 /nfs/dbraw/zinc/38/27/85/1071382785.db2.gz ZFIMRHIDVOEQGV-UHFFFAOYSA-N -1 1 600.944 5.088 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 ZINC000408694132 1071388952 /nfs/dbraw/zinc/38/89/52/1071388952.db2.gz CFSGPTPGRCSAJU-UHFFFAOYSA-N -1 1 590.045 5.345 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000408693181 1071391621 /nfs/dbraw/zinc/39/16/21/1071391621.db2.gz ILFCTYOXYXJKHW-UHFFFAOYSA-N -1 1 600.521 5.114 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693429 1071391849 /nfs/dbraw/zinc/39/18/49/1071391849.db2.gz UERDVKHOZCRULH-UHFFFAOYSA-N -1 1 622.563 5.076 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCC(C)CC4)c3)ccc21 ZINC000408705698 1071433739 /nfs/dbraw/zinc/43/37/39/1071433739.db2.gz LRIRTIVPAKVZBX-UHFFFAOYSA-N -1 1 505.640 5.496 40 0 KKABMM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408704763 1071437079 /nfs/dbraw/zinc/43/70/79/1071437079.db2.gz SLDGXLJYMYUUDY-UHFFFAOYSA-N -1 1 590.510 5.875 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704703 1071439147 /nfs/dbraw/zinc/43/91/47/1071439147.db2.gz RQOZOLLBBRKWBU-GDLZYMKVSA-N -1 1 647.005 7.474 40 0 KKABMM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)c2)CC1 ZINC000408704284 1071439712 /nfs/dbraw/zinc/43/97/12/1071439712.db2.gz ZVSHUZBGLNNRLJ-UHFFFAOYSA-N -1 1 582.531 5.467 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)cc2)cc1Cl ZINC000408705189 1071434776 /nfs/dbraw/zinc/43/47/76/1071434776.db2.gz ZNUKIWDNYKSHFO-PMERELPUSA-N -1 1 626.587 7.129 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)cc2)c1 ZINC000408704403 1071439838 /nfs/dbraw/zinc/43/98/38/1071439838.db2.gz MYBOERXQMOARGJ-WJOKGBTCSA-N -1 1 606.169 6.784 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408701623 1071451572 /nfs/dbraw/zinc/45/15/72/1071451572.db2.gz BESLSKWZDWOWFX-UHFFFAOYSA-N -1 1 562.113 5.122 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408701975 1071449479 /nfs/dbraw/zinc/44/94/79/1071449479.db2.gz IKYADJZWIFMISC-UHFFFAOYSA-N -1 1 563.701 5.376 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1 ZINC000408702219 1071449571 /nfs/dbraw/zinc/44/95/71/1071449571.db2.gz LSDVPHOUJMSKKJ-UHFFFAOYSA-N -1 1 596.558 5.776 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000408700478 1071454370 /nfs/dbraw/zinc/45/43/70/1071454370.db2.gz GQFHZWMIVVWUOD-UHFFFAOYSA-N -1 1 602.949 5.875 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714993 1071470867 /nfs/dbraw/zinc/47/08/67/1071470867.db2.gz UIQMCNNVIQOCFC-UHFFFAOYSA-N -1 1 587.789 5.643 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714984 1071470889 /nfs/dbraw/zinc/47/08/89/1071470889.db2.gz SVEQBHCNVCGERG-UHFFFAOYSA-N -1 1 624.604 5.399 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C(=O)N1CCCCC1 ZINC000408715043 1071471561 /nfs/dbraw/zinc/47/15/61/1071471561.db2.gz YLTUSGUPANSPQL-UHFFFAOYSA-N -1 1 595.768 5.789 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715024 1071471754 /nfs/dbraw/zinc/47/17/54/1071471754.db2.gz WTCYDIOCDZCCFU-UHFFFAOYSA-N -1 1 628.625 6.189 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C(=O)N1CCCC1 ZINC000408715004 1071471959 /nfs/dbraw/zinc/47/19/59/1071471959.db2.gz VROZJEBCDZHMQS-UHFFFAOYSA-N -1 1 580.153 5.208 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000408714887 1071473405 /nfs/dbraw/zinc/47/34/05/1071473405.db2.gz RUTUKTNHWLGVRF-UHFFFAOYSA-N -1 1 540.776 6.682 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714849 1071473517 /nfs/dbraw/zinc/47/35/17/1071473517.db2.gz QHXFSYKYLFJEDG-UHFFFAOYSA-N -1 1 573.762 5.191 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714896 1071473619 /nfs/dbraw/zinc/47/36/19/1071473619.db2.gz SCERNNCJIBJIAU-UHFFFAOYSA-N -1 1 594.180 5.536 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714525 1071475421 /nfs/dbraw/zinc/47/54/21/1071475421.db2.gz ANDFDNRQGIORSN-UHFFFAOYSA-N -1 1 580.153 5.290 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCC(C)CC4)c3)cc2)cc1 ZINC000408714605 1071476193 /nfs/dbraw/zinc/47/61/93/1071476193.db2.gz JTGIHKHXZXASGT-UHFFFAOYSA-N -1 1 603.788 5.281 40 0 KKABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408712412 1071486463 /nfs/dbraw/zinc/48/64/63/1071486463.db2.gz ZHICKRLATCALTK-INIZCTEOSA-N -1 1 590.045 5.261 40 0 KKABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1Cl ZINC000408712409 1071485641 /nfs/dbraw/zinc/48/56/41/1071485641.db2.gz YYCMHGSYMKYLRZ-SFHVURJKSA-N -1 1 588.107 5.096 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712386 1071485703 /nfs/dbraw/zinc/48/57/03/1071485703.db2.gz VCRFOGMYMRWAQE-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3C)cc2)cc1 ZINC000408712423 1071486384 /nfs/dbraw/zinc/48/63/84/1071486384.db2.gz ZZDMQYYLQXMQMX-UHFFFAOYSA-N -1 1 565.673 5.248 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)c1 ZINC000408712208 1071487783 /nfs/dbraw/zinc/48/77/83/1071487783.db2.gz SIHPMJZYUYAWKI-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408712142 1071490198 /nfs/dbraw/zinc/49/01/98/1071490198.db2.gz CZGNGGOZTFKCLZ-UHFFFAOYSA-N -1 1 567.664 5.153 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408711531 1071494722 /nfs/dbraw/zinc/49/47/22/1071494722.db2.gz UMFPLIJAAXXBEI-UHFFFAOYSA-N -1 1 564.129 5.251 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cccc(Cl)c4)S(C)(=O)=O)cc3)cc2)cc1Cl ZINC000408711372 1071498167 /nfs/dbraw/zinc/49/81/67/1071498167.db2.gz OPZHEASJFZDSRC-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000408711148 1071499478 /nfs/dbraw/zinc/49/94/78/1071499478.db2.gz UNKFFOTYNMSXPR-UHFFFAOYSA-N -1 1 638.982 6.666 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1OC ZINC000408711235 1071501670 /nfs/dbraw/zinc/50/16/70/1071501670.db2.gz KHNMQBNICHFION-UHFFFAOYSA-N -1 1 573.671 5.038 40 0 KKABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)c2ccccc21 ZINC000408721100 1071540088 /nfs/dbraw/zinc/54/00/88/1071540088.db2.gz CTWPFIHLJMJNQP-UHFFFAOYSA-N -1 1 554.365 5.046 40 0 KKABMM CCCCO[C@@H]1C=CC=C[C@@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408736885 1071553864 /nfs/dbraw/zinc/55/38/64/1071553864.db2.gz BMUKYULUWDZTLS-IZZNHLLZSA-N -1 1 510.638 6.145 40 0 KKABMM CCCCCO[C@@H]1C=CC=C[C@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408737134 1071552755 /nfs/dbraw/zinc/55/27/55/1071552755.db2.gz KUNYLSCIUKBRKB-KAYWLYCHSA-N -1 1 524.665 6.536 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1Cl ZINC000409024538 1071711767 /nfs/dbraw/zinc/71/17/67/1071711767.db2.gz DADAHJDCDZRWSQ-UHFFFAOYSA-N -1 1 515.838 5.013 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000409035384 1071753085 /nfs/dbraw/zinc/75/30/85/1071753085.db2.gz PNDGUNQIHARPOO-IOKRJLGCSA-N -1 1 717.807 5.313 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409034698 1071757496 /nfs/dbraw/zinc/75/74/96/1071757496.db2.gz QTHIGPINYUVILO-IOKRJLGCSA-N -1 1 762.258 5.422 40 0 KKABMM O=C1[N-]C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)N1 ZINC000409049973 1071961675 /nfs/dbraw/zinc/96/16/75/1071961675.db2.gz ZDHMBXNRQMTKFP-MKMNVTDBSA-N -1 1 520.992 5.278 40 0 KKABMM COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n21 ZINC000409095260 1072239983 /nfs/dbraw/zinc/23/99/83/1072239983.db2.gz AIYNQPIXURBXNS-WNBZBHRJSA-N -1 1 736.464 5.269 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409095044 1072242561 /nfs/dbraw/zinc/24/25/61/1072242561.db2.gz HAFLJOYSCNUZGG-DNQIBQKISA-N -1 1 706.040 5.551 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409091543 1072270488 /nfs/dbraw/zinc/27/04/88/1072270488.db2.gz VBEKJHOJHXQOJF-GXPYYPFNSA-N -1 1 750.491 5.660 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409101298 1072315263 /nfs/dbraw/zinc/31/52/63/1072315263.db2.gz AXUUNNNUZPVDIW-WPUHHHFCSA-N -1 1 683.650 6.013 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409329359 1072385717 /nfs/dbraw/zinc/38/57/17/1072385717.db2.gz FJQAYODFXLIXOK-UHFFFAOYSA-N -1 1 618.108 5.431 40 0 KKABMM CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)c(Br)c1[O-] ZINC000409125253 1072461882 /nfs/dbraw/zinc/46/18/82/1072461882.db2.gz JODZUPJJTVEEAJ-NTEUORMPSA-N -1 1 519.255 5.933 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000409372483 1072646005 /nfs/dbraw/zinc/64/60/05/1072646005.db2.gz MCWKRSDYNABNBI-UHFFFAOYSA-N -1 1 686.006 8.679 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(I)c(OC(C)C)c(I)c2)cc1 ZINC000409371989 1072647080 /nfs/dbraw/zinc/64/70/80/1072647080.db2.gz KTSJRLZROAUKKT-UHFFFAOYSA-N -1 1 746.387 7.671 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000409371369 1072649190 /nfs/dbraw/zinc/64/91/90/1072649190.db2.gz IFIGQSJBTHMPTI-UHFFFAOYSA-N -1 1 592.699 8.407 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3cccc(Cl)c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409370777 1072651815 /nfs/dbraw/zinc/65/18/15/1072651815.db2.gz BDQOOXRUSMFCHX-UHFFFAOYSA-N -1 1 537.019 7.588 40 0 KKABMM COC(=O)c1cccc(-c2ccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)o2)c1 ZINC000409370724 1072652946 /nfs/dbraw/zinc/65/29/46/1072652946.db2.gz DNXKJTGLWDQAAK-UHFFFAOYSA-N -1 1 560.610 6.722 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000409370554 1072654042 /nfs/dbraw/zinc/65/40/42/1072654042.db2.gz AHBLEIAIYGMEEI-UHFFFAOYSA-N -1 1 621.535 8.017 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl ZINC000409370034 1072655271 /nfs/dbraw/zinc/65/52/71/1072655271.db2.gz JUFKLIRUFLEJMJ-UHFFFAOYSA-N -1 1 733.006 8.521 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409368354 1072665396 /nfs/dbraw/zinc/66/53/96/1072665396.db2.gz ZHRAUNBBHIXHHQ-UHFFFAOYSA-N -1 1 730.457 8.788 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000409368093 1072667254 /nfs/dbraw/zinc/66/72/54/1072667254.db2.gz RCALRQPSGLGGOZ-UHFFFAOYSA-N -1 1 750.491 9.932 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000409367633 1072669451 /nfs/dbraw/zinc/66/94/51/1072669451.db2.gz BXQKKMZGXZSIRV-UHFFFAOYSA-N -1 1 621.535 8.017 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409175937 1072713947 /nfs/dbraw/zinc/71/39/47/1072713947.db2.gz FDRBOSLNXNBTIS-SSEXGKCCSA-N -1 1 592.142 6.210 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409173393 1072727325 /nfs/dbraw/zinc/72/73/25/1072727325.db2.gz LYXDHTMUWIAFJG-UHFFFAOYSA-N -1 1 648.590 6.335 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409172748 1072732583 /nfs/dbraw/zinc/73/25/83/1072732583.db2.gz HZLKWUPKZMWIOR-UHFFFAOYSA-N -1 1 634.179 6.745 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000409168804 1072753422 /nfs/dbraw/zinc/75/34/22/1072753422.db2.gz TVTYCWQOKNMYPU-UHFFFAOYSA-N -1 1 661.543 5.234 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000409406679 1072756330 /nfs/dbraw/zinc/75/63/30/1072756330.db2.gz BYWMUHOOLHEUIQ-UHFFFAOYSA-N -1 1 644.569 5.234 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409167965 1072756818 /nfs/dbraw/zinc/75/68/18/1072756818.db2.gz PEHDXVFQDIRXST-UHFFFAOYSA-N -1 1 686.561 7.264 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409184247 1072778533 /nfs/dbraw/zinc/77/85/33/1072778533.db2.gz VNLRKFMRLXCAIE-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)cc1Cl ZINC000409183901 1072779934 /nfs/dbraw/zinc/77/99/34/1072779934.db2.gz UTICEWNFSBFLOJ-UHFFFAOYSA-N -1 1 529.898 6.628 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(F)cc2)cc1OC ZINC000409183871 1072781301 /nfs/dbraw/zinc/78/13/01/1072781301.db2.gz VWPYOIBFQXIROS-UHFFFAOYSA-N -1 1 627.716 5.095 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)cc2)c1 ZINC000409183870 1072781373 /nfs/dbraw/zinc/78/13/73/1072781373.db2.gz VWHAXPOODCQXIY-UHFFFAOYSA-N -1 1 577.728 5.631 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)cc2)cc1 ZINC000409412631 1072787062 /nfs/dbraw/zinc/78/70/62/1072787062.db2.gz YUMBROLDBWQHGA-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000409411987 1072791124 /nfs/dbraw/zinc/79/11/24/1072791124.db2.gz PANDFXNLEXLZNL-UHFFFAOYSA-N -1 1 604.537 6.180 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000409411370 1072795480 /nfs/dbraw/zinc/79/54/80/1072795480.db2.gz HEASIZVTSZICNN-UHFFFAOYSA-N -1 1 650.562 5.645 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2ccc(F)cc2)cc1OC ZINC000409181367 1072799324 /nfs/dbraw/zinc/79/93/24/1072799324.db2.gz BKKLULREEKAKLD-UHFFFAOYSA-N -1 1 634.107 5.131 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409411019 1072799929 /nfs/dbraw/zinc/79/99/29/1072799929.db2.gz SIMQDSVYHQPJJD-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000409410836 1072801435 /nfs/dbraw/zinc/80/14/35/1072801435.db2.gz QYQPNOSQLCPOGG-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)ccc1C ZINC000409410648 1072802010 /nfs/dbraw/zinc/80/20/10/1072802010.db2.gz ZCBRTXWBYHSMCM-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccc(F)cc2)cc1 ZINC000409410586 1072804241 /nfs/dbraw/zinc/80/42/41/1072804241.db2.gz YAJMTILAHGIHBO-UHFFFAOYSA-N -1 1 632.135 5.821 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c1C ZINC000409410223 1072805796 /nfs/dbraw/zinc/80/57/96/1072805796.db2.gz LNIBYNHOZFGPPI-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2C)c(C)c1 ZINC000409409750 1072808017 /nfs/dbraw/zinc/80/80/17/1072808017.db2.gz QSQWAJCQABWNRR-QHCPKHFHSA-N -1 1 541.673 6.156 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409179541 1072809174 /nfs/dbraw/zinc/80/91/74/1072809174.db2.gz PVIHCCXDWCLRKH-UHFFFAOYSA-N -1 1 690.196 5.318 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)cc1 ZINC000409409233 1072812225 /nfs/dbraw/zinc/81/22/25/1072812225.db2.gz GIIKWUYOYAWRML-UHFFFAOYSA-N -1 1 638.089 6.830 40 0 KKABMM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000002087195 551757027 /nfs/dbraw/zinc/75/70/27/551757027.db2.gz KVIKQFPYTMDMQI-HSZRJFAPSA-N -1 1 540.572 5.688 40 0 KKABMM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000002087195 551757030 /nfs/dbraw/zinc/75/70/30/551757030.db2.gz KVIKQFPYTMDMQI-HSZRJFAPSA-N -1 1 540.572 5.688 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc(C)cc5C)cc4c3c2)c(C)c1 ZINC000005941749 552514013 /nfs/dbraw/zinc/51/40/13/552514013.db2.gz YHMLAFHZNNHMLP-UHFFFAOYSA-N -1 1 534.659 6.421 40 0 KKABMM COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000006088915 552531045 /nfs/dbraw/zinc/53/10/45/552531045.db2.gz IYVBLNADDITJFT-UHFFFAOYSA-N -1 1 542.686 6.344 40 0 KKABMM Cc1[n-]n(-c2ccccc2Br)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2Br)c1=O)c1ccc(Br)cc1 ZINC000008386774 552992615 /nfs/dbraw/zinc/99/26/15/552992615.db2.gz MTQMJWOUZYTNMD-XMGLRAKGSA-N -1 1 673.203 7.136 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1ccc(Cl)cc1 ZINC000008810082 553148257 /nfs/dbraw/zinc/14/82/57/553148257.db2.gz VTMYIPWGINOJSQ-UHFFFAOYSA-N -1 1 507.292 6.204 40 0 KKABMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1Cl ZINC000008810564 553148819 /nfs/dbraw/zinc/14/88/19/553148819.db2.gz IBNNSYRPKGIIPZ-UHFFFAOYSA-N -1 1 503.766 5.848 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c(OC)c1OC ZINC000009973443 553323318 /nfs/dbraw/zinc/32/33/18/553323318.db2.gz RAZCGFCEBFNOCO-VGOFMYFVSA-N -1 1 517.003 5.127 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OC ZINC000010039323 553326423 /nfs/dbraw/zinc/32/64/23/553326423.db2.gz IAKGQBUOCQHBCF-ONNFQVAWSA-N -1 1 507.395 5.463 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2C)cc1 ZINC000010315330 553333269 /nfs/dbraw/zinc/33/32/69/553333269.db2.gz YRSAIBUGYKAJAO-UHFFFAOYSA-N -1 1 513.619 5.287 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)cc1 ZINC000010315287 553333278 /nfs/dbraw/zinc/33/32/78/553333278.db2.gz BKYGCWZQOORQRV-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000010334415 553334399 /nfs/dbraw/zinc/33/43/99/553334399.db2.gz JPSZSEDORNZAPN-NRFANRHFSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000010360560 553335487 /nfs/dbraw/zinc/33/54/87/553335487.db2.gz QYQDJROQMOJTMR-OAQYLSRUSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)c1 ZINC000014153954 553503873 /nfs/dbraw/zinc/50/38/73/553503873.db2.gz BIEXCPBYJOMJBA-UHFFFAOYSA-N -1 1 519.667 5.727 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3[O-])nc2c1 ZINC000014275091 553508048 /nfs/dbraw/zinc/50/80/48/553508048.db2.gz VTJWVQBTMIIYTK-UHFFFAOYSA-N -1 1 501.995 6.696 40 0 KKABMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014396672 553514853 /nfs/dbraw/zinc/51/48/53/553514853.db2.gz OTPFHDRQWTXCRY-HXUWFJFHSA-N -1 1 502.636 6.344 40 0 KKABMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000014398985 553515275 /nfs/dbraw/zinc/51/52/75/553515275.db2.gz JNFPLTOWXZBSCT-KRWDZBQOSA-N -1 1 520.573 6.210 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000014400673 553515473 /nfs/dbraw/zinc/51/54/73/553515473.db2.gz IEYXEUBDVVSZTH-KRWDZBQOSA-N -1 1 507.439 6.125 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1N1CCCC1=O ZINC000020459973 553654872 /nfs/dbraw/zinc/65/48/72/553654872.db2.gz ONYCWKZEUUHXHA-UHFFFAOYSA-N -1 1 506.624 5.151 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2)cc1 ZINC000020460698 553655548 /nfs/dbraw/zinc/65/55/48/553655548.db2.gz CYYQNBJEBWLEPY-UHFFFAOYSA-N -1 1 504.222 6.662 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c(Cl)c1 ZINC000020462411 553656130 /nfs/dbraw/zinc/65/61/30/553656130.db2.gz SADXSTUZJKRORD-UHFFFAOYSA-N -1 1 507.395 5.532 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OCC ZINC000020485476 553658895 /nfs/dbraw/zinc/65/88/95/553658895.db2.gz HRPVXAGYBCAIBE-UHFFFAOYSA-N -1 1 517.047 5.818 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020023126 553662551 /nfs/dbraw/zinc/66/25/51/553662551.db2.gz ZUPOXIRGUYXZCL-UHFFFAOYSA-N -1 1 502.873 5.316 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)cc1 ZINC000020024303 553663174 /nfs/dbraw/zinc/66/31/74/553663174.db2.gz MKGCDZVWUBEART-SFHVURJKSA-N -1 1 501.446 5.368 40 0 KKABMM CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020491111 553663962 /nfs/dbraw/zinc/66/39/62/553663962.db2.gz JGMZDCSMXNVFDE-KRWDZBQOSA-N -1 1 506.546 6.036 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c2)cc1 ZINC000020492575 553665748 /nfs/dbraw/zinc/66/57/48/553665748.db2.gz TYGHJJXHGSUSFO-UHFFFAOYSA-N -1 1 512.031 5.328 40 0 KKABMM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183229 553666304 /nfs/dbraw/zinc/66/63/04/553666304.db2.gz TVGNSDOGCLLGGR-LXSOASPKSA-N -1 1 694.953 10.888 40 0 KKABMM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183229 553666307 /nfs/dbraw/zinc/66/63/07/553666307.db2.gz TVGNSDOGCLLGGR-LXSOASPKSA-N -1 1 694.953 10.888 40 0 KKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020036059 553667787 /nfs/dbraw/zinc/66/77/87/553667787.db2.gz GUJRZNGSXPLJGE-NRFANRHFSA-N -1 1 512.937 5.956 40 0 KKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020041749 553668932 /nfs/dbraw/zinc/66/89/32/553668932.db2.gz CSEVIPATIAWWAG-QFIPXVFZSA-N -1 1 517.445 5.663 40 0 KKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020050983 553671024 /nfs/dbraw/zinc/67/10/24/553671024.db2.gz AMKKOCGMNRJSCR-JOCHJYFZSA-N -1 1 507.439 6.207 40 0 KKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)ccc1Cl ZINC000020104521 553688786 /nfs/dbraw/zinc/68/87/86/553688786.db2.gz KHVIMPMFJMZHCF-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020110513 553693507 /nfs/dbraw/zinc/69/35/07/553693507.db2.gz PSLAYNXOROHBCS-NRFANRHFSA-N -1 1 503.418 5.354 40 0 KKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000022109876 553726510 /nfs/dbraw/zinc/72/65/10/553726510.db2.gz APTMGNRYQREIIU-UHFFFAOYSA-N -1 1 501.867 6.575 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951622 553810245 /nfs/dbraw/zinc/81/02/45/553810245.db2.gz XRTRWZAHKQTWPE-LVCYWYKZSA-N -1 1 533.717 6.011 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118689 553817188 /nfs/dbraw/zinc/81/71/88/553817188.db2.gz AMDIOAGHCGMZHB-UHFFFAOYSA-N -1 1 510.681 5.660 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)ccc21 ZINC000026120837 553817793 /nfs/dbraw/zinc/81/77/93/553817793.db2.gz BKSNZDNRBPCLEN-UHFFFAOYSA-N -1 1 521.708 6.353 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000030752218 553855904 /nfs/dbraw/zinc/85/59/04/553855904.db2.gz CWSMHZYOVPJACS-UHFFFAOYSA-N -1 1 518.422 5.169 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1OC ZINC000030865128 553859860 /nfs/dbraw/zinc/85/98/60/553859860.db2.gz PDJYPPWXWHMTJB-INIZCTEOSA-N -1 1 521.060 5.586 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000100085134 554208681 /nfs/dbraw/zinc/20/86/81/554208681.db2.gz ISNMULFVFXKWLQ-UHFFFAOYSA-N -1 1 545.126 6.314 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000100092490 554213152 /nfs/dbraw/zinc/21/31/52/554213152.db2.gz RWJGMUGDFRCCPY-WJOKGBTCSA-N -1 1 613.717 5.377 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000100094487 554215081 /nfs/dbraw/zinc/21/50/81/554215081.db2.gz NERYZWAEWQBBBQ-UHFFFAOYSA-N -1 1 590.167 5.062 40 0 KKABMM Cc1ccc(C)c(C(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000036633838 554230145 /nfs/dbraw/zinc/23/01/45/554230145.db2.gz VJPYDPKQMAASON-AHWVRZQESA-N -1 1 502.039 6.379 40 0 KKABMM CCOc1ccc(CCCNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1OC ZINC000038754126 554276040 /nfs/dbraw/zinc/27/60/40/554276040.db2.gz ULXKKWRXVMXYNX-UHFFFAOYSA-N -1 1 517.047 5.219 40 0 KKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000044850279 554305258 /nfs/dbraw/zinc/30/52/58/554305258.db2.gz YFBMHOYRSRPVNU-UHFFFAOYSA-N -1 1 500.620 6.830 40 0 KKABMM CC[C@@H](C)Oc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000100426613 554388737 /nfs/dbraw/zinc/38/87/37/554388737.db2.gz MSAZXDIFZLFFSS-JORBPYBISA-N -1 1 598.696 7.296 40 0 KKABMM COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc(C(C)(C)C)cc(Cl)c1[O-] ZINC000059331512 554388802 /nfs/dbraw/zinc/38/88/02/554388802.db2.gz AQFNLTSQCAYEBY-UHFFFAOYSA-N -1 1 521.864 6.394 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3[O-])nc2c1 ZINC000059331534 554389169 /nfs/dbraw/zinc/38/91/69/554389169.db2.gz BIXUBICUKYRWGR-UHFFFAOYSA-N -1 1 517.994 6.803 40 0 KKABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)Nc1ccc(F)c(Cl)c1 ZINC000059530797 554406743 /nfs/dbraw/zinc/40/67/43/554406743.db2.gz XBSSOBNSDRIUAW-UHFFFAOYSA-N -1 1 518.979 5.061 40 0 KKABMM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])c(CC(=O)c3ccc(F)cc3)s2)cc1 ZINC000059691180 554425311 /nfs/dbraw/zinc/42/53/11/554425311.db2.gz WPOHFODRMFJNKV-LMSSTIIKSA-N -1 1 537.616 6.410 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059691250 554425370 /nfs/dbraw/zinc/42/53/70/554425370.db2.gz IKEWXMPJHRWJBF-FTJBHMTQSA-N -1 1 556.644 5.050 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059691247 554425357 /nfs/dbraw/zinc/42/53/57/554425357.db2.gz IKEWXMPJHRWJBF-CLJLJLNGSA-N -1 1 556.644 5.050 40 0 KKABMM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000059691213 554425491 /nfs/dbraw/zinc/42/54/91/554425491.db2.gz AHLVUUYQHIHCOK-WUFINQPMSA-N -1 1 569.086 6.680 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000059837277 554442585 /nfs/dbraw/zinc/44/25/85/554442585.db2.gz FIQSWUCHGZBRNP-UHFFFAOYSA-N -1 1 587.325 6.849 40 0 KKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000059853353 554454066 /nfs/dbraw/zinc/45/40/66/554454066.db2.gz OKMMGYWQLDQYDB-XMMPIXPASA-N -1 1 528.552 6.456 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cccc(C)c2)cc1 ZINC000059882288 554458157 /nfs/dbraw/zinc/45/81/57/554458157.db2.gz DNDITVQDBSPASF-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000059882282 554458164 /nfs/dbraw/zinc/45/81/64/554458164.db2.gz KGIBLOIGNKKOGP-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000059883415 554460181 /nfs/dbraw/zinc/46/01/81/554460181.db2.gz FOJJLXRSOBFNEC-UHFFFAOYSA-N -1 1 589.617 5.340 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059883641 554460721 /nfs/dbraw/zinc/46/07/21/554460721.db2.gz FOPVYXSXAQOXBI-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059883681 554460757 /nfs/dbraw/zinc/46/07/57/554460757.db2.gz ANEIHVGCLUEZQM-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000059883704 554460845 /nfs/dbraw/zinc/46/08/45/554460845.db2.gz OPJQXTLRJQWMEC-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059883741 554461242 /nfs/dbraw/zinc/46/12/42/554461242.db2.gz CSDLDEACIZFWRS-UHFFFAOYSA-N -1 1 614.543 5.392 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000059883942 554461441 /nfs/dbraw/zinc/46/14/41/554461441.db2.gz YVDONABBBLHQTJ-XIEYBQDHSA-N -1 1 567.892 7.083 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccccc2)cc1 ZINC000059883975 554461499 /nfs/dbraw/zinc/46/14/99/554461499.db2.gz DIJWBSFAUNKLNG-UHFFFAOYSA-N -1 1 579.700 5.029 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C ZINC000059884960 554463737 /nfs/dbraw/zinc/46/37/37/554463737.db2.gz IQASKBHLBBGGEO-UHFFFAOYSA-N -1 1 590.045 5.181 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(C)cc2)cc1 ZINC000059884877 554463770 /nfs/dbraw/zinc/46/37/70/554463770.db2.gz QCJACCYBWDSJKF-UHFFFAOYSA-N -1 1 593.727 5.255 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(F)cc2)cc1 ZINC000059885207 554464172 /nfs/dbraw/zinc/46/41/72/554464172.db2.gz QTWJGYQIPDGOBC-UHFFFAOYSA-N -1 1 567.664 5.077 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cccc(C)c2)cc1 ZINC000059885401 554464401 /nfs/dbraw/zinc/46/44/01/554464401.db2.gz TWESKHNCZFZUAV-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059885354 554464457 /nfs/dbraw/zinc/46/44/57/554464457.db2.gz DLAWPZCUOOTXTA-UHFFFAOYSA-N -1 1 590.510 5.628 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccccc2C)cc1 ZINC000059885651 554464964 /nfs/dbraw/zinc/46/49/64/554464964.db2.gz CBPVMICFKATFQT-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000059885838 554465430 /nfs/dbraw/zinc/46/54/30/554465430.db2.gz ONGBSEBQFREFMG-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000059885788 554465513 /nfs/dbraw/zinc/46/55/13/554465513.db2.gz PUJQYGFEMXABQB-UHFFFAOYSA-N -1 1 607.607 5.479 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)c1 ZINC000059886228 554466322 /nfs/dbraw/zinc/46/63/22/554466322.db2.gz CPFSSAAOMLOGDT-UHFFFAOYSA-N -1 1 579.700 5.301 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cccc(Cl)c2)cc1 ZINC000059886572 554467086 /nfs/dbraw/zinc/46/70/86/554467086.db2.gz JADKIMQTHMFKEP-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000059886603 554467100 /nfs/dbraw/zinc/46/71/00/554467100.db2.gz KQKBYPJNJMAVFV-UHFFFAOYSA-N -1 1 558.081 5.007 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059886701 554467443 /nfs/dbraw/zinc/46/74/43/554467443.db2.gz WFYCZGHBAPFNKY-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059887466 554468931 /nfs/dbraw/zinc/46/89/31/554468931.db2.gz MGPMQOKZWYKPLY-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888062 554469915 /nfs/dbraw/zinc/46/99/15/554469915.db2.gz ANLHHSYNCTXRTC-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059888106 554470350 /nfs/dbraw/zinc/47/03/50/554470350.db2.gz XNPFZHUVORCUOF-UHFFFAOYSA-N -1 1 590.045 5.181 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059888179 554470501 /nfs/dbraw/zinc/47/05/01/554470501.db2.gz PYURCEKJZSLISX-UHFFFAOYSA-N -1 1 612.173 6.407 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059923572 554473505 /nfs/dbraw/zinc/47/35/05/554473505.db2.gz RSFBNVAOLWYTGL-UHFFFAOYSA-N -1 1 549.457 6.387 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1C ZINC000059924048 554474731 /nfs/dbraw/zinc/47/47/31/554474731.db2.gz YTQFLJVUTIURSL-UHFFFAOYSA-N -1 1 555.700 6.906 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000059924320 554475250 /nfs/dbraw/zinc/47/52/50/554475250.db2.gz WJILCCCIMVWYMT-UHFFFAOYSA-N -1 1 539.440 6.586 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc1Cl)CCCC2 ZINC000059924625 554475858 /nfs/dbraw/zinc/47/58/58/554475858.db2.gz PXULXEGYEOZGIK-UHFFFAOYSA-N -1 1 533.071 5.819 40 0 KKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000060017969 554488737 /nfs/dbraw/zinc/48/87/37/554488737.db2.gz BNDKGQDPURCQRN-OAQYLSRUSA-N -1 1 529.005 6.669 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)N1CCCCCC1 ZINC000060028644 554494231 /nfs/dbraw/zinc/49/42/31/554494231.db2.gz BHBHHJBBSHVRIS-UHFFFAOYSA-N -1 1 563.720 6.062 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1I ZINC000060028689 554494655 /nfs/dbraw/zinc/49/46/55/554494655.db2.gz OKSJWJHAOOMGJP-UHFFFAOYSA-N -1 1 549.430 5.629 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060043131 554497582 /nfs/dbraw/zinc/49/75/82/554497582.db2.gz UDJSYVYHEWRIQP-NRFANRHFSA-N -1 1 610.585 5.407 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)c(Cl)c2)cc1 ZINC000060060670 554500101 /nfs/dbraw/zinc/50/01/01/554500101.db2.gz JWKATEXTUQPTBP-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060060939 554501304 /nfs/dbraw/zinc/50/13/04/554501304.db2.gz JNHJJOXRFKUMJW-CYBMUJFWSA-N -1 1 533.355 6.219 40 0 KKABMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccc2c(c1)OCO2 ZINC000100927456 554524623 /nfs/dbraw/zinc/52/46/23/554524623.db2.gz BPAQZTOVPIYXGP-JWQCQUIFSA-N -1 1 549.414 5.884 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)cc1Cl ZINC000102436434 554928312 /nfs/dbraw/zinc/92/83/12/554928312.db2.gz QAOLENUWZVRXDD-XMGLRAKGSA-N -1 1 505.405 6.155 40 0 KKABMM CC(=O)c1ccc(NC(=O)C([O-])=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1 ZINC000102945171 555171700 /nfs/dbraw/zinc/17/17/00/555171700.db2.gz NJZIHRRKPQGQLA-UHFFFAOYSA-N -1 1 548.624 5.954 40 0 KKABMM COc1cccc(C(=O)[C@H]2C(=C([O-])c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000103520572 555425819 /nfs/dbraw/zinc/42/58/19/555425819.db2.gz SGSXNADEYJDAMK-HKFRAXQBSA-N -1 1 530.580 5.534 40 0 KKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)Nc1ccccc1C(F)(F)F ZINC000103765914 555473099 /nfs/dbraw/zinc/47/30/99/555473099.db2.gz OGFCMRIQOXCPNK-UHFFFAOYSA-N -1 1 523.583 5.847 40 0 KKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000103768445 555473958 /nfs/dbraw/zinc/47/39/58/555473958.db2.gz TYGROKJZXHOSAB-UHFFFAOYSA-N -1 1 551.114 7.393 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cc(I)ccc4Cl)cc3[O-])oc2c(C)c1 ZINC000105310412 571395940 /nfs/dbraw/zinc/39/59/40/571395940.db2.gz JOYXJHUSZGJCKZ-UHFFFAOYSA-N -1 1 577.831 6.202 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5c(Br)c4OC)cc3[O-])nc2c1 ZINC000105310643 571396183 /nfs/dbraw/zinc/39/61/83/571396183.db2.gz XUZOHQPXIUBBOV-UHFFFAOYSA-N -1 1 576.472 6.814 40 0 KKABMM COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000105310706 571396209 /nfs/dbraw/zinc/39/62/09/571396209.db2.gz WRWIMLSSWRWSDN-UHFFFAOYSA-N -1 1 582.863 6.905 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCc1cccc2ccccc21 ZINC000222837903 571404148 /nfs/dbraw/zinc/40/41/48/571404148.db2.gz REEXSHVNHVNNBY-UHFFFAOYSA-N -1 1 515.418 5.643 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000222838735 571404215 /nfs/dbraw/zinc/40/42/15/571404215.db2.gz VNBWTIHHLIKUDN-UHFFFAOYSA-N -1 1 666.992 6.217 40 0 KKABMM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)cc2)CC1 ZINC000222839677 571404323 /nfs/dbraw/zinc/40/43/23/571404323.db2.gz OXVWHEPLTRIFSL-UHFFFAOYSA-N -1 1 563.459 5.406 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Cl)cc1Cl ZINC000105500720 571406481 /nfs/dbraw/zinc/40/64/81/571406481.db2.gz QQGIWLAHYOOKAM-UHFFFAOYSA-N -1 1 578.499 5.352 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Br)cc1 ZINC000105518561 571407211 /nfs/dbraw/zinc/40/72/11/571407211.db2.gz SZSNTVMYLNIJEH-DNQXCXABSA-N -1 1 515.411 5.611 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)cc2)cc1 ZINC000222875238 571408510 /nfs/dbraw/zinc/40/85/10/571408510.db2.gz GYQQOBKNMQYYKT-UHFFFAOYSA-N -1 1 610.157 5.772 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000106330411 571411931 /nfs/dbraw/zinc/41/19/31/571411931.db2.gz UWFYAIXSADTAHF-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2)cc1OC ZINC000106385405 571412397 /nfs/dbraw/zinc/41/23/97/571412397.db2.gz PRFBPWJZGHNWFE-UHFFFAOYSA-N -1 1 609.726 5.199 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)cc1C ZINC000106411598 571412497 /nfs/dbraw/zinc/41/24/97/571412497.db2.gz AMWRFNVKHWGNJS-UHFFFAOYSA-N -1 1 599.734 6.619 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000106591228 571413069 /nfs/dbraw/zinc/41/30/69/571413069.db2.gz GXGFXAZCMNTWGK-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(Br)c(Br)c1[O-] ZINC000106695787 571414105 /nfs/dbraw/zinc/41/41/05/571414105.db2.gz UMBJORDKMIFXMW-ZSOIEALJSA-N -1 1 531.197 5.692 40 0 KKABMM COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000106703979 571414834 /nfs/dbraw/zinc/41/48/34/571414834.db2.gz HWALFKWGMLNNMD-ZSOIEALJSA-N -1 1 513.207 5.471 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000107765269 571421155 /nfs/dbraw/zinc/42/11/55/571421155.db2.gz SYFDWCLAELORDL-UHFFFAOYSA-N -1 1 614.145 5.433 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c(OC)c1 ZINC000107830908 571421269 /nfs/dbraw/zinc/42/12/69/571421269.db2.gz CIEHVMHQALSZMY-UHFFFAOYSA-N -1 1 616.117 5.520 40 0 KKABMM COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000107830920 571421293 /nfs/dbraw/zinc/42/12/93/571421293.db2.gz AQJUHMOXQQCMKB-UHFFFAOYSA-N -1 1 586.091 5.511 40 0 KKABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cccc(C)c4)c3)cc2)c1 ZINC000108024109 571422149 /nfs/dbraw/zinc/42/21/49/571422149.db2.gz FXIKVWYIWUVBGW-UHFFFAOYSA-N -1 1 616.117 5.520 40 0 KKABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1C ZINC000108096361 571422384 /nfs/dbraw/zinc/42/23/84/571422384.db2.gz GXLLKQFQKWWMLT-KRWDZBQOSA-N -1 1 570.520 5.204 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2C)c1 ZINC000108198413 571422694 /nfs/dbraw/zinc/42/26/94/571422694.db2.gz FLLBZDAHDHAXCY-UHFFFAOYSA-N -1 1 541.673 5.637 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)cc2)c1 ZINC000108928433 571427573 /nfs/dbraw/zinc/42/75/73/571427573.db2.gz UVYWQGIDGBNZIK-UHFFFAOYSA-N -1 1 607.798 5.668 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)c1 ZINC000108937164 571427676 /nfs/dbraw/zinc/42/76/76/571427676.db2.gz SUCIDBUISQCEOP-LJAQVGFWSA-N -1 1 561.685 5.724 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000109132064 571428428 /nfs/dbraw/zinc/42/84/28/571428428.db2.gz VNMKZSASTVIQLW-UHFFFAOYSA-N -1 1 576.911 5.161 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)ccc2C)c(C)c1 ZINC000110106780 571430703 /nfs/dbraw/zinc/43/07/03/571430703.db2.gz WJCAGXCNWFTKIV-UHFFFAOYSA-N -1 1 530.715 7.266 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000110225456 571430880 /nfs/dbraw/zinc/43/08/80/571430880.db2.gz CSJVDRUDXAYKLY-UHFFFAOYSA-N -1 1 589.617 5.868 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000112236734 571434621 /nfs/dbraw/zinc/43/46/21/571434621.db2.gz KBVWCAIXGSFECJ-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000112256554 571437617 /nfs/dbraw/zinc/43/76/17/571437617.db2.gz PPDKKFLKHYOVEG-INIZCTEOSA-N -1 1 555.018 6.863 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000113620013 571440946 /nfs/dbraw/zinc/44/09/46/571440946.db2.gz VRXYDKGUNRVJHE-UHFFFAOYSA-N -1 1 575.590 5.559 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1I ZINC000113620433 571440989 /nfs/dbraw/zinc/44/09/89/571440989.db2.gz CWXHZNBGYCXRJW-UHFFFAOYSA-N -1 1 545.851 6.046 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000113620018 571441010 /nfs/dbraw/zinc/44/10/10/571441010.db2.gz GIZMNVLYXVNLMS-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000113619702 571441057 /nfs/dbraw/zinc/44/10/57/571441057.db2.gz XPLYBVSUFBGJID-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(I)cc3)c2)cc1 ZINC000140029526 571454478 /nfs/dbraw/zinc/45/44/78/571454478.db2.gz GREPCLQWSKNXIF-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000140037827 571454564 /nfs/dbraw/zinc/45/45/64/571454564.db2.gz CBTMQQPOVBRJMU-UHFFFAOYSA-N -1 1 586.035 6.975 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)c1 ZINC000140353983 571455687 /nfs/dbraw/zinc/45/56/87/571455687.db2.gz APZLPDNHGODJSI-UHFFFAOYSA-N -1 1 620.591 5.047 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SCc4ccccc4)s3)ccc2C)cc1C ZINC000223346498 571463767 /nfs/dbraw/zinc/46/37/67/571463767.db2.gz CCWKKQDDJCIUHK-UHFFFAOYSA-N -1 1 524.693 5.809 40 0 KKABMM O=C(/C=C/C(=O)OCc1cc(Br)cc(Br)c1O)OCc1cc(Br)cc(Br)c1[O-] ZINC000150371944 571465879 /nfs/dbraw/zinc/46/58/79/571465879.db2.gz HMVBUCRJXYETAA-OWOJBTEDSA-N -1 1 643.904 5.491 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCCN(CCOc2ccccc2NS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150387973 571470531 /nfs/dbraw/zinc/47/05/31/571470531.db2.gz QHXFCBNAZCBHPF-UHFFFAOYSA-N -1 1 749.933 6.362 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000150409644 571481861 /nfs/dbraw/zinc/48/18/61/571481861.db2.gz AOTXUXCCUYPERM-UHFFFAOYSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000150430047 571493144 /nfs/dbraw/zinc/49/31/44/571493144.db2.gz BIFXVRIEAWKROC-LJQANCHMSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000150431494 571493724 /nfs/dbraw/zinc/49/37/24/571493724.db2.gz KIOUITJGTOMRHC-IBGZPJMESA-N -1 1 631.003 5.937 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000150432165 571493857 /nfs/dbraw/zinc/49/38/57/571493857.db2.gz UHPHNXQPPNIGPE-HHHXNRCGSA-N -1 1 632.547 5.530 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)cc1Cl ZINC000150431839 571493907 /nfs/dbraw/zinc/49/39/07/571493907.db2.gz BUVYMKLYOUEXQC-LJQANCHMSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000150433423 571494536 /nfs/dbraw/zinc/49/45/36/571494536.db2.gz LPIUHGMPQXAMSL-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000150434506 571495001 /nfs/dbraw/zinc/49/50/01/571495001.db2.gz QMYXYSNELJIAOO-UHFFFAOYSA-N -1 1 685.007 6.299 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000150434936 571495010 /nfs/dbraw/zinc/49/50/10/571495010.db2.gz BXGMDNQENVPIAY-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000150435279 571495291 /nfs/dbraw/zinc/49/52/91/571495291.db2.gz MZRCLYRKZPKFFV-UHFFFAOYSA-N -1 1 640.570 6.781 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(Cl)cc2)cc1OC ZINC000150435512 571495598 /nfs/dbraw/zinc/49/55/98/571495598.db2.gz BWYIWWVSEPMIOT-UHFFFAOYSA-N -1 1 666.177 6.145 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000150587156 571521996 /nfs/dbraw/zinc/52/19/96/571521996.db2.gz RYMKPMRTEPSVOL-UHFFFAOYSA-N -1 1 653.009 6.975 40 0 KKABMM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163268746 571534632 /nfs/dbraw/zinc/53/46/32/571534632.db2.gz YHVOCKYUAWICJJ-NFYDWNOTSA-N -1 1 701.380 5.409 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000163447995 571535527 /nfs/dbraw/zinc/53/55/27/571535527.db2.gz CUOVPRXTTXQHHT-RWTNITNYSA-N -1 1 695.417 5.775 40 0 KKABMM O=c1/c(=C\c2cc(Br)cc(I)c2[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000164109237 571544284 /nfs/dbraw/zinc/54/42/84/571544284.db2.gz OYRYNLADLYECNH-XOBACGFXSA-N -1 1 659.318 5.531 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000197821440 571564590 /nfs/dbraw/zinc/56/45/90/571564590.db2.gz COMYAPONOWWPFG-UHFFFAOYSA-N -1 1 714.140 6.019 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000197823299 571564803 /nfs/dbraw/zinc/56/48/03/571564803.db2.gz DIYRAJUUMFOFLV-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cc(C)ccc2C)cc1 ZINC000197821579 571564833 /nfs/dbraw/zinc/56/48/33/571564833.db2.gz LQKXFUSYOISUGE-UHFFFAOYSA-N -1 1 666.143 6.919 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000197824046 571564927 /nfs/dbraw/zinc/56/49/27/571564927.db2.gz XOWBVYQWFMWTRT-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000197825547 571565016 /nfs/dbraw/zinc/56/50/16/571565016.db2.gz XLZQIANOTOYGJV-UHFFFAOYSA-N -1 1 631.698 6.211 40 0 KKABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000197829120 571565479 /nfs/dbraw/zinc/56/54/79/571565479.db2.gz LVLHWENXJHNKCM-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000197830490 571565576 /nfs/dbraw/zinc/56/55/76/571565576.db2.gz BDASPGUQTMFCOW-UHFFFAOYSA-N -1 1 630.542 5.093 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(C)cc2)cc1 ZINC000197831329 571565650 /nfs/dbraw/zinc/56/56/50/571565650.db2.gz ULWNBZGAZFCCTG-UHFFFAOYSA-N -1 1 644.569 5.401 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000197830314 571565687 /nfs/dbraw/zinc/56/56/87/571565687.db2.gz NFCPSQPGWYYMEX-GDLZYMKVSA-N -1 1 646.112 7.186 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(Cl)cc2)cc1 ZINC000197830866 571565720 /nfs/dbraw/zinc/56/57/20/571565720.db2.gz GPSGUIWCFOAFSA-UHFFFAOYSA-N -1 1 636.151 6.137 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000197830991 571565735 /nfs/dbraw/zinc/56/57/35/571565735.db2.gz RZURTVKMPCOCJW-UHFFFAOYSA-N -1 1 679.764 6.461 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000197831714 571565916 /nfs/dbraw/zinc/56/59/16/571565916.db2.gz NVBREKMERDKAOG-UHFFFAOYSA-N -1 1 636.151 6.137 40 0 KKABMM O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000198309113 571566690 /nfs/dbraw/zinc/56/66/90/571566690.db2.gz SCTQLJXPVDDMQI-UHFFFAOYSA-N -1 1 624.955 6.282 40 0 KKABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000198309502 571566704 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CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000216242322 571593829 /nfs/dbraw/zinc/59/38/29/571593829.db2.gz BEWLOQCJBCNXQU-JOCHJYFZSA-N -1 1 506.546 5.919 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000216310959 571594621 /nfs/dbraw/zinc/59/46/21/571594621.db2.gz UBXVFLDJQCNXIJ-UHFFFAOYSA-N -1 1 641.009 5.392 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000216319188 571594748 /nfs/dbraw/zinc/59/47/48/571594748.db2.gz MFXLAHOGKVTZGG-UHFFFAOYSA-N -1 1 671.433 5.193 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)c(Cl)c2)cc1 ZINC000216325746 571594856 /nfs/dbraw/zinc/59/48/56/571594856.db2.gz OTDXKDMWMIDKDJ-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216353618 571595194 /nfs/dbraw/zinc/59/51/94/571595194.db2.gz SPHQSQCYUWYTRI-UHFFFAOYSA-N -1 1 610.928 6.501 40 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598.548 5.192 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Br)c2)cc1[N-]S(C)(=O)=O ZINC000225486793 571857631 /nfs/dbraw/zinc/85/76/31/571857631.db2.gz DBCVGQBQUXJYIA-DQEYMECFSA-N -1 1 598.548 5.192 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Br)cc2)cc1[N-]S(C)(=O)=O ZINC000225486983 571857982 /nfs/dbraw/zinc/85/79/82/571857982.db2.gz IEAPWTSZZDZYDJ-RPBOFIJWSA-N -1 1 598.548 5.192 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225490251 571860499 /nfs/dbraw/zinc/86/04/99/571860499.db2.gz MQTJIMRLADSKRX-RPBOFIJWSA-N -1 1 555.081 5.552 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N-]S(C)(=O)=O ZINC000225491482 571861379 /nfs/dbraw/zinc/86/13/79/571861379.db2.gz JMLHRYJVCSSAOJ-LOSJGSFVSA-N -1 1 589.526 6.206 40 0 KKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c2ccccc2O1 ZINC000225625363 571976864 /nfs/dbraw/zinc/97/68/64/571976864.db2.gz 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5.157 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2ccc(Cl)cc2)cc1OC ZINC000408545616 572220186 /nfs/dbraw/zinc/22/01/86/572220186.db2.gz LPSPSBHQSOLOCB-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408546535 572223263 /nfs/dbraw/zinc/22/32/63/572223263.db2.gz FDDRDPONEWELSE-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408546514 572223282 /nfs/dbraw/zinc/22/32/82/572223282.db2.gz FAJZVSSGVYYBCO-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000408547455 572225665 /nfs/dbraw/zinc/22/56/65/572225665.db2.gz JRODCOCPTDUOGF-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408547742 572226752 /nfs/dbraw/zinc/22/67/52/572226752.db2.gz MFHMEUPVBQJLQY-UHFFFAOYSA-N -1 1 660.239 6.404 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c1)CCCC2 ZINC000408548151 572228447 /nfs/dbraw/zinc/22/84/47/572228447.db2.gz PUFCHAHTWDCCOB-UHFFFAOYSA-N -1 1 512.653 5.474 40 0 KKABMM O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408548423 572229086 /nfs/dbraw/zinc/22/90/86/572229086.db2.gz RIRFDGCJENUIBG-UHFFFAOYSA-N -1 1 681.714 7.133 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)ccc2C)cc1 ZINC000408548743 572229845 /nfs/dbraw/zinc/22/98/45/572229845.db2.gz UIILLLZTHJGXPN-UHFFFAOYSA-N -1 1 513.619 5.287 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)ccc1C ZINC000408548749 572229864 /nfs/dbraw/zinc/22/98/64/572229864.db2.gz UMIGXHOFKLVEIR-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408551476 572236309 /nfs/dbraw/zinc/23/63/09/572236309.db2.gz HZUBEUCJQMVIDV-UHFFFAOYSA-N -1 1 507.439 6.154 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Cl)cc1Cl ZINC000408553894 572241205 /nfs/dbraw/zinc/24/12/05/572241205.db2.gz RFZOBWCCLUQDRO-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557131 572244701 /nfs/dbraw/zinc/24/47/01/572244701.db2.gz LGFGXHAJKHYDSE-UHFFFAOYSA-N -1 1 509.809 5.554 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408560455 572247440 /nfs/dbraw/zinc/24/74/40/572247440.db2.gz PAHAKZHTCQCOIP-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408562012 572248399 /nfs/dbraw/zinc/24/83/99/572248399.db2.gz WXKOOBWBIGBABF-UHFFFAOYSA-N -1 1 539.078 6.943 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000408562300 572248695 /nfs/dbraw/zinc/24/86/95/572248695.db2.gz YUCIVWKYDXSZPQ-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc(OC)c1OC ZINC000408566320 572253578 /nfs/dbraw/zinc/25/35/78/572253578.db2.gz NMARVGKWFWVEGT-UHFFFAOYSA-N -1 1 544.935 5.438 40 0 KKABMM C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408584529 572265755 /nfs/dbraw/zinc/26/57/55/572265755.db2.gz QWNUGSZWFCLQKL-QGZVFWFLSA-N -1 1 507.439 5.311 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408587613 572266619 /nfs/dbraw/zinc/26/66/19/572266619.db2.gz FGQMZYQYSZHOBO-UHFFFAOYSA-N -1 1 588.218 7.137 40 0 KKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c(C)c1 ZINC000408590656 572267803 /nfs/dbraw/zinc/26/78/03/572267803.db2.gz KGSVDWSAORZTTM-UHFFFAOYSA-N -1 1 512.937 5.794 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408590920 572268012 /nfs/dbraw/zinc/26/80/12/572268012.db2.gz HYLYOLPVXKYAFT-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(OC)cc1Cl ZINC000408594320 572269666 /nfs/dbraw/zinc/26/96/66/572269666.db2.gz PUNNUJVQQFVBBO-UHFFFAOYSA-N -1 1 545.828 5.482 40 0 KKABMM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408594430 572269738 /nfs/dbraw/zinc/26/97/38/572269738.db2.gz RSMCTUPEELXESU-UHFFFAOYSA-N -1 1 512.937 5.163 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408595779 572270538 /nfs/dbraw/zinc/27/05/38/572270538.db2.gz URVCPFBYFYJLOU-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Oc3ccccc3)cc2)c1 ZINC000408600647 572272504 /nfs/dbraw/zinc/27/25/04/572272504.db2.gz BQTRMNZKKRJMRB-UHFFFAOYSA-N -1 1 504.564 5.306 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2C)c1C ZINC000408608708 572275647 /nfs/dbraw/zinc/27/56/47/572275647.db2.gz ORXVVGATMANPPM-UHFFFAOYSA-N -1 1 533.049 6.549 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(O[C@@H](C)C(=O)NC4CCCCC4)cc3)ccc21 ZINC000408610725 572276311 /nfs/dbraw/zinc/27/63/11/572276311.db2.gz VLKSQYLKIUKPIY-FQEVSTJZSA-N -1 1 519.667 5.831 40 0 KKABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000408611505 572276531 /nfs/dbraw/zinc/27/65/31/572276531.db2.gz XFEHPQMWQMRNPV-FQEVSTJZSA-N -1 1 510.681 5.855 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2C)cc1 ZINC000408617301 572279421 /nfs/dbraw/zinc/27/94/21/572279421.db2.gz GBUHPONBMGQMKM-UHFFFAOYSA-N -1 1 514.691 6.824 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2C)c1C ZINC000408619923 572280808 /nfs/dbraw/zinc/28/08/08/572280808.db2.gz ONJMRUHHTCXLMM-UHFFFAOYSA-N -1 1 519.667 5.681 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000408620421 572281090 /nfs/dbraw/zinc/28/10/90/572281090.db2.gz JOLOIWPGNWCUOB-UHFFFAOYSA-N -1 1 534.556 6.024 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1OC ZINC000408621425 572281515 /nfs/dbraw/zinc/28/15/15/572281515.db2.gz RUYYIOKVGDAYRZ-UHFFFAOYSA-N -1 1 587.698 5.346 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2C)c1C ZINC000408624613 572283069 /nfs/dbraw/zinc/28/30/69/572283069.db2.gz QWYZCRLEWJCSEM-UHFFFAOYSA-N -1 1 528.718 7.133 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)c(C)c3)ccc21 ZINC000408626210 572283826 /nfs/dbraw/zinc/28/38/26/572283826.db2.gz UXNAPJKDTNTHEV-UHFFFAOYSA-N -1 1 518.038 6.829 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408630151 572285808 /nfs/dbraw/zinc/28/58/08/572285808.db2.gz OJGCILZUHHQTOY-UHFFFAOYSA-N -1 1 511.386 6.946 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)C(=O)[O-])n1 ZINC000408630501 572286145 /nfs/dbraw/zinc/28/61/45/572286145.db2.gz APVWOXRZXMFUAX-JJFYIABZSA-N -1 1 684.339 7.197 40 0 KKABMM CCOc1c(I)cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1I ZINC000408630704 572286388 /nfs/dbraw/zinc/28/63/88/572286388.db2.gz BZNZXRROGXKPCF-PXNMLYILSA-N -1 1 683.693 5.959 40 0 KKABMM CCOC(=O)c1ccc(-c2ccc(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])o2)cc1 ZINC000408630698 572286494 /nfs/dbraw/zinc/28/64/94/572286494.db2.gz AJHXSLUCVAKSHO-HMAPJEAMSA-N -1 1 521.551 5.143 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(OC)c(Br)c2)C(=O)[O-])n1 ZINC000408630934 572286720 /nfs/dbraw/zinc/28/67/20/572286720.db2.gz DUHHJMSBTXVOJZ-CHHVJCJISA-N -1 1 575.666 5.885 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)[O-])n1 ZINC000408630858 572286757 /nfs/dbraw/zinc/28/67/57/572286757.db2.gz DFWLVGHAVZJIHJ-HMAPJEAMSA-N -1 1 502.983 6.500 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)ccc3OCc3ccccc3)C(=O)[O-])n2)c1 ZINC000408631131 572287157 /nfs/dbraw/zinc/28/71/57/572287157.db2.gz CGTGANXGLXRBKJ-QRVIBDJDSA-N -1 1 568.449 6.048 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OC(C)C)c(I)c3)C(=O)[O-])n2)c1 ZINC000408631401 572287427 /nfs/dbraw/zinc/28/74/27/572287427.db2.gz DSPQQGCHAWFNIZ-WSVATBPTSA-N -1 1 693.301 5.703 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])n1 ZINC000408631336 572287469 /nfs/dbraw/zinc/28/74/69/572287469.db2.gz HQWHEFRJICCAMF-UUYOSTAYSA-N -1 1 558.443 6.593 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)[O-])n1 ZINC000408631485 572287513 /nfs/dbraw/zinc/28/75/13/572287513.db2.gz JOFZYEKNYBRYBZ-WGARJPEWSA-N -1 1 652.954 7.855 40 0 KKABMM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Cl)cc(Br)c2O)C(=O)[O-])n[nH]1 ZINC000408631429 572287588 /nfs/dbraw/zinc/28/75/88/572287588.db2.gz ITVRMYGTTZMCSN-RZNTYIFUSA-N -1 1 517.188 5.473 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)[O-])n1 ZINC000408631552 572287698 /nfs/dbraw/zinc/28/76/98/572287698.db2.gz KFVLOBLXWRVVPS-NVMNQCDNSA-N -1 1 510.399 5.801 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)ccc3OCc3ccc(Cl)c(Cl)c3)C(=O)[O-])n2)c1 ZINC000408631590 572287770 /nfs/dbraw/zinc/28/77/70/572287770.db2.gz FTYUCEKABDEUFY-KSEXSDGBSA-N -1 1 592.888 7.246 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408631714 572287851 /nfs/dbraw/zinc/28/78/51/572287851.db2.gz AZWLSBXILWFIKU-XKZIYDEJSA-N -1 1 528.417 6.584 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccccc2)c(Br)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631688 572287879 /nfs/dbraw/zinc/28/78/79/572287879.db2.gz ALOPOCBPYLGDOX-BKUYFWCQSA-N -1 1 542.842 6.684 40 0 KKABMM O=C([O-])C(=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631955 572288290 /nfs/dbraw/zinc/28/82/90/572288290.db2.gz BQFUNSXFSGQEOK-NHDPSOOVSA-N -1 1 567.281 7.882 40 0 KKABMM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(I)c(O)c(I)c2)C(=O)[O-])n[nH]1 ZINC000408632888 572289404 /nfs/dbraw/zinc/28/94/04/572289404.db2.gz URHVWJGFXWIWNX-NSIKDUERSA-N -1 1 655.639 5.266 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(I)c1OCc1ccccc1F ZINC000408633007 572289542 /nfs/dbraw/zinc/28/95/42/572289542.db2.gz IVFMMSMTDVSUKD-MTJSOVHGSA-N -1 1 637.858 6.674 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccccc2F)C(=O)[O-])n1 ZINC000408633115 572289670 /nfs/dbraw/zinc/28/96/70/572289670.db2.gz VZFKHMYLTJORJP-UUYOSTAYSA-N -1 1 511.962 6.070 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cc(Cl)ccc3C)o2)C(=O)[O-])n1 ZINC000408633072 572289693 /nfs/dbraw/zinc/28/96/93/572289693.db2.gz LHQDJNTUEFGWOH-JAIQZWGSSA-N -1 1 502.379 6.573 40 0 KKABMM O=C([O-])C(=Cc1cn(Cc2ccccc2F)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633269 572289918 /nfs/dbraw/zinc/28/99/18/572289918.db2.gz JMXMNWKCGQZXDK-QRVIBDJDSA-N -1 1 504.974 6.485 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)[O-])n1 ZINC000408633372 572290054 /nfs/dbraw/zinc/29/00/54/572290054.db2.gz XZQVZHPPGQFSGR-WNFQYIGGSA-N -1 1 814.654 8.447 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(OCc3ccc(Cl)cc3)c2)C(=O)[O-])n1 ZINC000408633524 572290196 /nfs/dbraw/zinc/29/01/96/572290196.db2.gz ZHKJXAMPZNGPDY-UUYOSTAYSA-N -1 1 528.417 6.584 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)[O-])n1 ZINC000408633543 572290204 /nfs/dbraw/zinc/29/02/04/572290204.db2.gz ZUVRNFWMWLTRET-QFEZKATASA-N -1 1 549.027 6.802 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)[O-])n2)c1 ZINC000408633591 572290351 /nfs/dbraw/zinc/29/03/51/572290351.db2.gz OAWCOJZBQZVIMM-JAIQZWGSSA-N -1 1 518.378 6.274 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408633672 572290491 /nfs/dbraw/zinc/29/04/91/572290491.db2.gz OLEDJGLNSIXHMA-NYAPKIOYSA-N -1 1 667.365 7.364 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408634237 572291251 /nfs/dbraw/zinc/29/12/51/572291251.db2.gz SLZFJEGEDKPXHZ-QFEZKATASA-N -1 1 512.591 5.710 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(C)cc4Br)o3)C(=O)[O-])n2)c1 ZINC000408634309 572291376 /nfs/dbraw/zinc/29/13/76/572291376.db2.gz UDHATMNCJWHGDA-MTJSOVHGSA-N -1 1 542.411 6.038 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)[O-])n2)c1 ZINC000408634489 572291494 /nfs/dbraw/zinc/29/14/94/572291494.db2.gz VGNKIMFNVSDNFJ-YQYKVWLJSA-N -1 1 600.700 7.831 40 0 KKABMM CCn1c(S/C(=C\c2cc(I)c(O)c(I)c2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634512 572291635 /nfs/dbraw/zinc/29/16/35/572291635.db2.gz VPHFSCVHIVINDU-IDUWFGFVSA-N -1 1 679.274 5.115 40 0 KKABMM O=C([O-])C(=Cc1ccccc1OCc1ccc(Br)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634952 572292082 /nfs/dbraw/zinc/29/20/82/572292082.db2.gz VRWXXZFIYBRULD-BKUYFWCQSA-N -1 1 542.842 6.684 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4cccc5ccccc54)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634938 572292101 /nfs/dbraw/zinc/29/21/01/572292101.db2.gz YDXNMUHSZKQFID-MUXKCCDJSA-N -1 1 569.639 6.448 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccc(Br)cc2)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635202 572292318 /nfs/dbraw/zinc/29/23/18/572292318.db2.gz YAVUKDGBZWOZEG-BKUYFWCQSA-N -1 1 542.842 6.684 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408635269 572292411 /nfs/dbraw/zinc/29/24/11/572292411.db2.gz ZQJADDAWBLPQKR-RMORIDSASA-N -1 1 632.920 6.710 40 0 KKABMM COc1ccc2[nH]c(-c3ccccc3)c(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])c2c1 ZINC000408635275 572292451 /nfs/dbraw/zinc/29/24/51/572292451.db2.gz ZTANDJXNMDXERQ-IWIPYMOSSA-N -1 1 528.590 5.864 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408636735 572293638 /nfs/dbraw/zinc/29/36/38/572293638.db2.gz UOXAXQIYAANDJW-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM COc1cc2c(cc1NC(=O)CN1CCC[C@H]1Cc1c3ccccc3sc1C(=O)[O-])oc1ccccc12 ZINC000257297795 572315592 /nfs/dbraw/zinc/31/55/92/572315592.db2.gz RIVIKMUWHFZXHD-KRWDZBQOSA-N -1 1 514.603 6.153 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)cc2)cc1Cl ZINC000408679118 572320286 /nfs/dbraw/zinc/32/02/86/572320286.db2.gz IMPFBVUCSLGRAG-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000408680203 572320971 /nfs/dbraw/zinc/32/09/71/572320971.db2.gz PRKVWCVVQHFRMG-UHFFFAOYSA-N -1 1 600.521 5.114 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000408680904 572321474 /nfs/dbraw/zinc/32/14/74/572321474.db2.gz STQAKQCDOHFOTJ-UHFFFAOYSA-N -1 1 614.548 5.422 40 0 KKABMM COC(=O)c1cc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)ccc1Cl ZINC000108423102 1069717797 /nfs/dbraw/zinc/71/77/97/1069717797.db2.gz UNDFIWCQRNOTKM-UHFFFAOYSA-N -1 1 595.055 6.966 40 0 KKABMM CCOC(=O)c1cc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)ccc1Cl ZINC000108423105 1069717744 /nfs/dbraw/zinc/71/77/44/1069717744.db2.gz WZXZAPUIQMYCMC-UHFFFAOYSA-N -1 1 609.082 7.356 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccccc2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423142 1069718510 /nfs/dbraw/zinc/71/85/10/1069718510.db2.gz UOYYZUCGFDRABG-UHFFFAOYSA-N -1 1 502.574 6.526 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(C)=O ZINC000108423297 1069720155 /nfs/dbraw/zinc/72/01/55/1069720155.db2.gz QLIXZTAAFZHKLQ-UHFFFAOYSA-N -1 1 524.577 5.200 40 0 KKABMM CCC(=O)Oc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423303 1069720177 /nfs/dbraw/zinc/72/01/77/1069720177.db2.gz QQZOQOWVSJYNNX-UHFFFAOYSA-N -1 1 538.604 5.590 40 0 KKABMM CCOc1c(OC)cccc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423356 1069720195 /nfs/dbraw/zinc/72/01/95/1069720195.db2.gz ZVHFZBGIDNKIRG-UHFFFAOYSA-N -1 1 510.594 5.674 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(C)C ZINC000108423327 1069720420 /nfs/dbraw/zinc/72/04/20/1069720420.db2.gz PLGXSVRACKQSMW-UHFFFAOYSA-N -1 1 524.621 6.062 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Br)c1OC(C)=O ZINC000108423400 1069720842 /nfs/dbraw/zinc/72/08/42/1069720842.db2.gz IHFLWGKXZJXVIM-UHFFFAOYSA-N -1 1 617.500 6.353 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Br)c1OCC(C)C ZINC000108423380 1069721048 /nfs/dbraw/zinc/72/10/48/1069721048.db2.gz GVDXYENWJYMPFL-UHFFFAOYSA-N -1 1 617.544 7.072 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)cc2)cc1Cl ZINC000408705190 1069735070 /nfs/dbraw/zinc/73/50/70/1069735070.db2.gz ZNUKIWDNYKSHFO-SSEXGKCCSA-N -1 1 626.587 7.129 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409175319 1069795004 /nfs/dbraw/zinc/79/50/04/1069795004.db2.gz ZFCOSNPVOSNWHJ-UHFFFAOYSA-N -1 1 648.590 6.335 40 0 KKABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408906879 1070181359 /nfs/dbraw/zinc/18/13/59/1070181359.db2.gz JUMBRCYVAUNNCM-UHFFFAOYSA-N -1 1 515.838 5.013 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408920402 1070225823 /nfs/dbraw/zinc/22/58/23/1070225823.db2.gz GFMXJFQIEOUUBP-UHFFFAOYSA-N -1 1 615.733 5.873 40 0 KKABMM O=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408920987 1070227893 /nfs/dbraw/zinc/22/78/93/1070227893.db2.gz QKBPFONRFWPFBP-UHFFFAOYSA-N -1 1 541.492 6.275 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000408921080 1070228340 /nfs/dbraw/zinc/22/83/40/1070228340.db2.gz RTOCGWSPAOSAFK-UHFFFAOYSA-N -1 1 698.141 6.319 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408921132 1070228375 /nfs/dbraw/zinc/22/83/75/1070228375.db2.gz SUBXFFHYXUECIY-UHFFFAOYSA-N -1 1 682.142 6.701 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000408925226 1070236504 /nfs/dbraw/zinc/23/65/04/1070236504.db2.gz LEKZSZNIOABITJ-UHFFFAOYSA-N -1 1 585.707 5.859 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408922666 1070240121 /nfs/dbraw/zinc/24/01/21/1070240121.db2.gz GGTIOVHEGDARQX-UHFFFAOYSA-N -1 1 646.190 7.097 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408924617 1070242941 /nfs/dbraw/zinc/24/29/41/1070242941.db2.gz PNAKYQZERKUPRG-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000408927584 1070247578 /nfs/dbraw/zinc/24/75/78/1070247578.db2.gz XPTIUKIAQCPLLT-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409174960 1070590358 /nfs/dbraw/zinc/59/03/58/1070590358.db2.gz WVJWBEWMFVBAIK-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000409346401 1070862782 /nfs/dbraw/zinc/86/27/82/1070862782.db2.gz KHGWUCMFLJGHAO-UHFFFAOYSA-N -1 1 585.707 6.026 40 0 KKABMM COC(=O)c1ccc(-c2ccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)o2)cc1 ZINC000409368912 1070892558 /nfs/dbraw/zinc/89/25/58/1070892558.db2.gz SBQCAZVPKIFNAU-UHFFFAOYSA-N -1 1 560.610 6.722 40 0 KKABMM O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408906906 1070893642 /nfs/dbraw/zinc/89/36/42/1070893642.db2.gz FADDLRSUYCGEPJ-UHFFFAOYSA-N -1 1 511.850 5.634 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc2ccccc2c1 ZINC000409382635 1070899940 /nfs/dbraw/zinc/89/99/40/1070899940.db2.gz VZXDQMNWDNKCIE-UHFFFAOYSA-N -1 1 507.420 5.748 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000409373727 1070896757 /nfs/dbraw/zinc/89/67/57/1070896757.db2.gz YMSMYTOWSHYIHL-UHFFFAOYSA-N -1 1 769.321 10.086 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2C)cc1 ZINC000409410524 1070920736 /nfs/dbraw/zinc/92/07/36/1070920736.db2.gz NQENTKYPJMZLDP-UHFFFAOYSA-N -1 1 527.646 5.329 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)cc2)cc1OC ZINC000409411785 1070922359 /nfs/dbraw/zinc/92/23/59/1070922359.db2.gz LFPLEKBSHWIBDH-UHFFFAOYSA-N -1 1 630.144 5.544 40 0 KKABMM O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000409407882 1070925559 /nfs/dbraw/zinc/92/55/59/1070925559.db2.gz AQJFWKKWPOTPDT-UHFFFAOYSA-N -1 1 613.717 6.114 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)c1 ZINC000408910299 1070969466 /nfs/dbraw/zinc/96/94/66/1070969466.db2.gz JRDONTSYOHOXAS-UHFFFAOYSA-N -1 1 537.106 7.302 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CSCc4ccccc4)cc3)cc2)c1 ZINC000408907446 1070991279 /nfs/dbraw/zinc/99/12/79/1070991279.db2.gz ODODAPRDSSHRIZ-UHFFFAOYSA-N -1 1 502.661 6.482 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408924294 1071081926 /nfs/dbraw/zinc/08/19/26/1071081926.db2.gz GEPHQGVCLRITLE-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408924309 1071081990 /nfs/dbraw/zinc/08/19/90/1071081990.db2.gz GOQXDIBVVMSJIT-LJAQVGFWSA-N -1 1 611.667 6.533 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000408923745 1071085625 /nfs/dbraw/zinc/08/56/25/1071085625.db2.gz LLTXNHUCMUUTSQ-UHFFFAOYSA-N -1 1 634.563 5.945 40 0 KKABMM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408924212 1071083924 /nfs/dbraw/zinc/08/39/24/1071083924.db2.gz DLVPFJLUYYNWAO-UHFFFAOYSA-N -1 1 510.559 5.387 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408924205 1071083948 /nfs/dbraw/zinc/08/39/48/1071083948.db2.gz DKKBDDDJZRPSST-UHFFFAOYSA-N -1 1 606.125 6.128 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)cc2)c1 ZINC000408923420 1071086578 /nfs/dbraw/zinc/08/65/78/1071086578.db2.gz CNNCSSXDHJGLGS-UHFFFAOYSA-N -1 1 577.728 5.631 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 ZINC000408923406 1071088448 /nfs/dbraw/zinc/08/84/48/1071088448.db2.gz XHGPXYSNVIQIBA-UHFFFAOYSA-N -1 1 537.106 7.135 40 0 KKABMM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408922229 1071092505 /nfs/dbraw/zinc/09/25/05/1071092505.db2.gz YGNCRVYRRGRJNW-UHFFFAOYSA-N -1 1 545.004 6.040 40 0 KKABMM O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408920854 1071098842 /nfs/dbraw/zinc/09/88/42/1071098842.db2.gz PPGWFINSADFHJN-UHFFFAOYSA-N -1 1 702.958 6.756 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408920831 1071099100 /nfs/dbraw/zinc/09/91/00/1071099100.db2.gz OQVURFDNFDEMFG-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408920404 1071104203 /nfs/dbraw/zinc/10/42/03/1071104203.db2.gz GFURQDVVSVKXKY-KOEQRZSOSA-N -1 1 556.993 7.339 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(Cl)c1Cl ZINC000408920458 1071105017 /nfs/dbraw/zinc/10/50/17/1071105017.db2.gz IIWVRKKGQWEXDI-UHFFFAOYSA-N -1 1 578.499 5.352 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cccc(Cl)c2C)cc1 ZINC000408920454 1071105143 /nfs/dbraw/zinc/10/51/43/1071105143.db2.gz IDSSVGMVZWNGBR-UHFFFAOYSA-N -1 1 663.015 6.354 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408920242 1071105686 /nfs/dbraw/zinc/10/56/86/1071105686.db2.gz CSSMKVONZXMFDG-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408920244 1071105832 /nfs/dbraw/zinc/10/58/32/1071105832.db2.gz CTIFXSWGBUUIBO-UHFFFAOYSA-N -1 1 624.062 5.994 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cccc(Br)c2)cc1 ZINC000408927662 1071192194 /nfs/dbraw/zinc/19/21/94/1071192194.db2.gz YRRLBYLOGCUFBT-UHFFFAOYSA-N -1 1 693.439 6.155 40 0 KKABMM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408927678 1071193000 /nfs/dbraw/zinc/19/30/00/1071193000.db2.gz ZHOLDFQRCZEHEB-OAHLLOKOSA-N -1 1 529.005 6.420 40 0 KKABMM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408682411 1071369502 /nfs/dbraw/zinc/36/95/02/1071369502.db2.gz YEYLMXPAEVOUNV-UHFFFAOYSA-N -1 1 517.445 5.565 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2)cc1Cl ZINC000408681607 1071374282 /nfs/dbraw/zinc/37/42/82/1071374282.db2.gz YMXOCYSEKWSWLN-UHFFFAOYSA-N -1 1 586.066 5.403 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OCC ZINC000408696057 1071381418 /nfs/dbraw/zinc/38/14/18/1071381418.db2.gz ZGUYINCCFNYMPD-UHFFFAOYSA-N -1 1 579.018 5.758 40 0 KKABMM O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408695927 1071382101 /nfs/dbraw/zinc/38/21/01/1071382101.db2.gz VEFHARYVUFDWIQ-UHFFFAOYSA-N -1 1 640.036 6.113 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000408695765 1071383043 /nfs/dbraw/zinc/38/30/43/1071383043.db2.gz YUVIAKDFAUZUSQ-HNNXBMFYSA-N -1 1 608.085 5.261 40 0 KKABMM Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000408694842 1071386190 /nfs/dbraw/zinc/38/61/90/1071386190.db2.gz NERTTZSCODYNQS-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000408694441 1071387830 /nfs/dbraw/zinc/38/78/30/1071387830.db2.gz HBEQWFRJFVQOPL-UHFFFAOYSA-N -1 1 616.083 5.340 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCCC4)c3)ccc21 ZINC000408693466 1071391166 /nfs/dbraw/zinc/39/11/66/1071391166.db2.gz VULGDYHYZDOJFX-UHFFFAOYSA-N -1 1 505.640 5.640 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C(C)C ZINC000408694164 1071389012 /nfs/dbraw/zinc/38/90/12/1071389012.db2.gz DFPRZPKHRSZPHS-UHFFFAOYSA-N -1 1 509.049 5.382 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693323 1071390811 /nfs/dbraw/zinc/39/08/11/1071390811.db2.gz OENSJIJYTDQKOI-UHFFFAOYSA-N -1 1 592.139 5.275 40 0 KKABMM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408705962 1071433950 /nfs/dbraw/zinc/43/39/50/1071433950.db2.gz RLHUKSNDHFXLAI-QFIPXVFZSA-N -1 1 519.417 5.055 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1Cl ZINC000408706451 1071432870 /nfs/dbraw/zinc/43/28/70/1071432870.db2.gz VRKUDSGPDYCYFD-QGZVFWFLSA-N -1 1 507.439 6.125 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704704 1071436929 /nfs/dbraw/zinc/43/69/29/1071436929.db2.gz RQOZOLLBBRKWBU-LJAQVGFWSA-N -1 1 647.005 7.474 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000408704502 1071439044 /nfs/dbraw/zinc/43/90/44/1071439044.db2.gz OPLVGHUYYDEKPE-UHFFFAOYSA-N -1 1 570.092 5.530 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)cc1 ZINC000408703953 1071442936 /nfs/dbraw/zinc/44/29/36/1071442936.db2.gz WUPFJDUTHJVLGL-UHFFFAOYSA-N -1 1 617.774 6.440 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408703603 1071443615 /nfs/dbraw/zinc/44/36/15/1071443615.db2.gz UPBMTSSVQCXPNR-UHFFFAOYSA-N -1 1 622.563 5.076 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000408703664 1071443664 /nfs/dbraw/zinc/44/36/64/1071443664.db2.gz WEJMDSINABRDTR-UHFFFAOYSA-N -1 1 537.991 6.402 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703315 1071444240 /nfs/dbraw/zinc/44/42/40/1071444240.db2.gz FAMVEYXKVNKXCW-GDLZYMKVSA-N -1 1 612.560 6.821 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408703299 1071444384 /nfs/dbraw/zinc/44/43/84/1071444384.db2.gz RFEVOCXUDOMOIG-UHFFFAOYSA-N -1 1 582.531 5.611 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408700934 1071453939 /nfs/dbraw/zinc/45/39/39/1071453939.db2.gz OOLOGKHQKAMGSO-UHFFFAOYSA-N -1 1 606.564 5.375 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715041 1071472011 /nfs/dbraw/zinc/47/20/11/1071472011.db2.gz YKPNQVHMSSMLOP-UHFFFAOYSA-N -1 1 608.207 5.988 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714565 1071475150 /nfs/dbraw/zinc/47/51/50/1071475150.db2.gz FIVDJRLZKIJMKG-UHFFFAOYSA-N -1 1 587.789 5.499 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1C(=O)N1CCCCCC1 ZINC000408714844 1071473537 /nfs/dbraw/zinc/47/35/37/1071473537.db2.gz QDARFAUBUMNQGQ-UHFFFAOYSA-N -1 1 544.480 5.139 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714876 1071473566 /nfs/dbraw/zinc/47/35/66/1071473566.db2.gz RETDBBIMMPJVRG-UHFFFAOYSA-N -1 1 573.762 5.253 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1C ZINC000408712522 1071481664 /nfs/dbraw/zinc/48/16/64/1071481664.db2.gz BYGQOOGARCWJFC-UHFFFAOYSA-N -1 1 564.129 5.251 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712543 1071481767 /nfs/dbraw/zinc/48/17/67/1071481767.db2.gz JCLGELYNDLARHE-UHFFFAOYSA-N -1 1 589.617 5.868 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712524 1071481816 /nfs/dbraw/zinc/48/18/16/1071481816.db2.gz CHTVMPVZSRFKLE-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)c1 ZINC000408712314 1071483375 /nfs/dbraw/zinc/48/33/75/1071483375.db2.gz LFKNGMZZQVVUQB-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000408712342 1071484125 /nfs/dbraw/zinc/48/41/25/1071484125.db2.gz OWIKQNGBDLOAMQ-QGZVFWFLSA-N -1 1 570.520 5.204 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2C)cc1 ZINC000408712339 1071484231 /nfs/dbraw/zinc/48/42/31/1071484231.db2.gz OJARDKPXWVCBGB-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000408712179 1071486992 /nfs/dbraw/zinc/48/69/92/1071486992.db2.gz MXDIINWKSLOTEZ-UHFFFAOYSA-N -1 1 588.082 5.498 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408712390 1071485511 /nfs/dbraw/zinc/48/55/11/1071485511.db2.gz VXLFQNAFKNCGFF-UHFFFAOYSA-N -1 1 621.634 5.864 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3C)cc2)c1 ZINC000408712182 1071487162 /nfs/dbraw/zinc/48/71/62/1071487162.db2.gz NDDLHJWXGCAVPT-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)S(C)(=O)=O)c1 ZINC000408712256 1071488701 /nfs/dbraw/zinc/48/87/01/1071488701.db2.gz CKRGVJPBXIJAKG-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)c2C)cc1 ZINC000408711423 1071491670 /nfs/dbraw/zinc/49/16/70/1071491670.db2.gz VXFAPNPPRXWEFU-UHFFFAOYSA-N -1 1 603.644 6.176 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1SCc1ccccc1 ZINC000408711445 1071492520 /nfs/dbraw/zinc/49/25/20/1071492520.db2.gz XVKXFXUSNTWUNL-UHFFFAOYSA-N -1 1 553.503 6.795 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2C)cc1 ZINC000408711451 1071492530 /nfs/dbraw/zinc/49/25/30/1071492530.db2.gz YIMXJOZWSKHFJF-UHFFFAOYSA-N -1 1 603.644 6.176 40 0 KKABMM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408711431 1071492553 /nfs/dbraw/zinc/49/25/53/1071492553.db2.gz WNSGWGBSDAIIGR-UHFFFAOYSA-N -1 1 683.433 6.775 40 0 KKABMM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000408711511 1071494012 /nfs/dbraw/zinc/49/40/12/1071494012.db2.gz QHGQVMWZOHRLGJ-UHFFFAOYSA-N -1 1 604.537 6.013 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)cc2)S(C)(=O)=O)c1 ZINC000408711530 1071494931 /nfs/dbraw/zinc/49/49/31/1071494931.db2.gz ULGAOMMJOOAUNP-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)c2)cc1 ZINC000408711321 1071497127 /nfs/dbraw/zinc/49/71/27/1071497127.db2.gz HYURUNVIVPGFJY-UHFFFAOYSA-N -1 1 571.680 6.002 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)cc2C)cc1 ZINC000408711386 1071498946 /nfs/dbraw/zinc/49/89/46/1071498946.db2.gz QPSYUASJQLFDKF-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)cc1 ZINC000408711259 1071502377 /nfs/dbraw/zinc/50/23/77/1071502377.db2.gz AABHCFQNCBRBDF-UHFFFAOYSA-N -1 1 638.089 6.830 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711108 1071505056 /nfs/dbraw/zinc/50/50/56/1071505056.db2.gz FTQURKVIUPKIJA-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C ZINC000408711120 1071505749 /nfs/dbraw/zinc/50/57/49/1071505749.db2.gz IGFWDMCBMGUTFE-UHFFFAOYSA-N -1 1 618.099 5.961 40 0 KKABMM CCCCCCO[C@@H]1C=CC=C[C@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408736947 1071554571 /nfs/dbraw/zinc/55/45/71/1071554571.db2.gz FCAHGESHPRPTJC-VSGBNLITSA-N -1 1 538.692 6.926 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cccs1 ZINC000409055078 1071931047 /nfs/dbraw/zinc/93/10/47/1071931047.db2.gz CETUEVKMHKSJGQ-GSERBOKHSA-N -1 1 693.382 5.070 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409094670 1072243975 /nfs/dbraw/zinc/24/39/75/1072243975.db2.gz FUEUNLLPMQLSOH-OLMUWDIHSA-N -1 1 705.612 5.255 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000409097640 1072335923 /nfs/dbraw/zinc/33/59/23/1072335923.db2.gz NNXPUTULOWQCJX-FTAOIEMSSA-N -1 1 681.615 5.308 40 0 KKABMM COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(Br)c(Sc5nc(C)cc(=O)[n-]5)o4)c(=O)n32)c1 ZINC000409107013 1072340227 /nfs/dbraw/zinc/34/02/27/1072340227.db2.gz PRYCZFWTRVTRNM-RJFKIUDMSA-N -1 1 690.601 5.193 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000409106243 1072344419 /nfs/dbraw/zinc/34/44/19/1072344419.db2.gz NDDVMFPQPHVTEU-MEVAHUFZSA-N -1 1 693.576 5.385 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409103322 1072360908 /nfs/dbraw/zinc/36/09/08/1072360908.db2.gz WAROBPDJSUKIIR-SVTLXGSVSA-N -1 1 642.759 5.289 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409103319 1072360981 /nfs/dbraw/zinc/36/09/81/1072360981.db2.gz WAROBPDJSUKIIR-DPJFAKJTSA-N -1 1 642.759 5.289 40 0 KKABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000409330718 1072375504 /nfs/dbraw/zinc/37/55/04/1072375504.db2.gz LMKZNAPJEXGWIV-UHFFFAOYSA-N -1 1 624.062 6.237 40 0 KKABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000409345721 1072421708 /nfs/dbraw/zinc/42/17/08/1072421708.db2.gz JFFWNLBZGSFWAD-UHFFFAOYSA-N -1 1 589.617 5.584 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409343468 1072439604 /nfs/dbraw/zinc/43/96/04/1072439604.db2.gz HQLAQMFXQBOBPP-UHFFFAOYSA-N -1 1 619.696 5.622 40 0 KKABMM O=C1S/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N1CCCc1ccccc1 ZINC000409147173 1072577146 /nfs/dbraw/zinc/57/71/46/1072577146.db2.gz VKOGQMWLECXNMX-YBEGLDIGSA-N -1 1 544.208 5.428 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(Cl)cc3Cl)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409374062 1072640553 /nfs/dbraw/zinc/64/05/53/1072640553.db2.gz XCNXYBORMLBBEP-UHFFFAOYSA-N -1 1 571.464 8.242 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc2ccccc2c1 ZINC000409373811 1072641125 /nfs/dbraw/zinc/64/11/25/1072641125.db2.gz UUMZWBKMOXBWJB-UHFFFAOYSA-N -1 1 506.527 5.460 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409369597 1072657492 /nfs/dbraw/zinc/65/74/92/1072657492.db2.gz QNJOCDJZOGCEJE-UHFFFAOYSA-N -1 1 700.033 9.069 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3ccccc3)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369253 1072660280 /nfs/dbraw/zinc/66/02/80/1072660280.db2.gz JCWZYKXYQSVZIE-UHFFFAOYSA-N -1 1 565.677 7.678 40 0 KKABMM CCOc1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1OC ZINC000409367588 1072669440 /nfs/dbraw/zinc/66/94/40/1072669440.db2.gz FSKQIOSHGUEGPO-UHFFFAOYSA-N -1 1 510.594 6.082 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409176744 1072706811 /nfs/dbraw/zinc/70/68/11/1072706811.db2.gz WINNSCAYQGHZNX-UUWRZZSWSA-N -1 1 607.757 6.710 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409175459 1072716601 /nfs/dbraw/zinc/71/66/01/1072716601.db2.gz ZKRMGOTYBPWJSA-SSEXGKCCSA-N -1 1 626.587 6.863 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)ccc2C)cc1C ZINC000409406260 1072758907 /nfs/dbraw/zinc/75/89/07/1072758907.db2.gz BDWLLQUMDZQUHA-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409184682 1072775380 /nfs/dbraw/zinc/77/53/80/1072775380.db2.gz ZGXQHXXNJQPSDY-SSEXGKCCSA-N -1 1 592.142 6.210 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)cc1Cl ZINC000409412379 1072787524 /nfs/dbraw/zinc/78/75/24/1072787524.db2.gz VQULRHJFVLWWBV-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000409412224 1072788314 /nfs/dbraw/zinc/78/83/14/1072788314.db2.gz UJMKVLSUTPRRLG-UHFFFAOYSA-N -1 1 706.979 7.609 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000409411788 1072791718 /nfs/dbraw/zinc/79/17/18/1072791718.db2.gz ZSXBVSUQWFHPNG-UHFFFAOYSA-N -1 1 695.013 5.755 40 0 KKABMM O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000409411430 1072796114 /nfs/dbraw/zinc/79/61/14/1072796114.db2.gz WPBBRXQZUXZDRD-UHFFFAOYSA-N -1 1 648.162 6.767 40 0 KKABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000409411289 1072797275 /nfs/dbraw/zinc/79/72/75/1072797275.db2.gz VYFMYYOVBLYRFI-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000409411081 1072798250 /nfs/dbraw/zinc/79/82/50/1072798250.db2.gz UDPRSVRJYUQGFL-UHFFFAOYSA-N -1 1 630.881 5.871 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)ccc2C)c1 ZINC000409411099 1072798461 /nfs/dbraw/zinc/79/84/61/1072798461.db2.gz CAWZYANGLVEPIF-UHFFFAOYSA-N -1 1 514.691 6.896 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409410662 1072802157 /nfs/dbraw/zinc/80/21/57/1072802157.db2.gz ZJJKMRNYHYERSV-UHFFFAOYSA-N -1 1 695.741 7.441 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000409410331 1072804066 /nfs/dbraw/zinc/80/40/66/1072804066.db2.gz VIBZZXPGHHPTHH-UHFFFAOYSA-N -1 1 641.771 6.731 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000409410602 1072804140 /nfs/dbraw/zinc/80/41/40/1072804140.db2.gz YFOTUAHTZUCNDY-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000409180491 1072804309 /nfs/dbraw/zinc/80/43/09/1072804309.db2.gz YKEHUPFVIMQRNA-WJOKGBTCSA-N -1 1 606.169 6.518 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2ccccc2)cc1OC ZINC000409179827 1072807478 /nfs/dbraw/zinc/80/74/78/1072807478.db2.gz UBCRZORKTIWNHS-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)ccc2C)cc1C ZINC000409409961 1072807581 /nfs/dbraw/zinc/80/75/81/1072807581.db2.gz KHPCMBDDEBWNPK-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409409995 1072807660 /nfs/dbraw/zinc/80/76/60/1072807660.db2.gz KLBZHKOXOIAEQB-UHFFFAOYSA-N -1 1 504.317 6.457 40 0 KKABMM O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000409179651 1072808267 /nfs/dbraw/zinc/80/82/67/1072808267.db2.gz MYVZAJXOAQINNX-UHFFFAOYSA-N -1 1 525.508 5.258 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000409408596 1072814275 /nfs/dbraw/zinc/81/42/75/1072814275.db2.gz JYYSGKCUUMREHZ-UHFFFAOYSA-N -1 1 618.506 5.223 40 0 KKABMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000409408656 1072814771 /nfs/dbraw/zinc/81/47/71/1072814771.db2.gz KMHNEYVYKFGAGI-UHFFFAOYSA-N -1 1 541.492 6.275 40 0 KKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000409178713 1072815230 /nfs/dbraw/zinc/81/52/30/1072815230.db2.gz NYHRETKUCYXAGC-MRXNPFEDSA-N -1 1 505.459 5.678 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000409407901 1072818580 /nfs/dbraw/zinc/81/85/80/1072818580.db2.gz AWMNKVAMXDHTHL-UHFFFAOYSA-N -1 1 662.189 7.076 40 0 KKABMM Cc1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)[O-])n1 ZINC000409190922 1072865838 /nfs/dbraw/zinc/86/58/38/1072865838.db2.gz BLTVVAJDQOYZOH-IDUWFGFVSA-N -1 1 515.216 5.979 40 0 KKABMM Cc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000409190922 1072865866 /nfs/dbraw/zinc/86/58/66/1072865866.db2.gz BLTVVAJDQOYZOH-IDUWFGFVSA-N -1 1 515.216 5.979 40 0 KKABMM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409190120 1072872091 /nfs/dbraw/zinc/87/20/91/1072872091.db2.gz KVKPCIQBJGBKSH-IDUWFGFVSA-N -1 1 592.242 5.830 40 0 KKABMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409190120 1072872099 /nfs/dbraw/zinc/87/20/99/1072872099.db2.gz KVKPCIQBJGBKSH-IDUWFGFVSA-N -1 1 592.242 5.830 40 0 KKABMM Cc1n[nH]c(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2F)C(=O)[O-])n1 ZINC000409189814 1072874653 /nfs/dbraw/zinc/87/46/53/1072874653.db2.gz IXARFXUKVCYMOB-APSNUPSMSA-N -1 1 637.212 5.258 40 0 KKABMM Cc1nc(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2F)C(=O)[O-])n[nH]1 ZINC000409189814 1072874665 /nfs/dbraw/zinc/87/46/65/1072874665.db2.gz IXARFXUKVCYMOB-APSNUPSMSA-N -1 1 637.212 5.258 40 0 KKABMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)cc3c2c1 ZINC000409227367 1073032468 /nfs/dbraw/zinc/03/24/68/1073032468.db2.gz YCVPQOVCZLSBRR-UHFFFAOYSA-N -1 1 616.331 7.801 40 0 KKABMM O=C(c1ccccc1Cl)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@H]1c1ccco1 ZINC000035683988 1073209823 /nfs/dbraw/zinc/20/98/23/1073209823.db2.gz HKHLIBDIVDSSOG-DEOSSOPVSA-N -1 1 505.983 5.725 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cc(NS(=O)(=O)c5ccc(C)cc5)ccc4o3)cc2)cc1 ZINC000000821797 551544065 /nfs/dbraw/zinc/54/40/65/551544065.db2.gz HESGVZKIEKDRPB-UHFFFAOYSA-N -1 1 533.631 5.713 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(-c4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)nc3c2)cc1 ZINC000000821797 551544070 /nfs/dbraw/zinc/54/40/70/551544070.db2.gz HESGVZKIEKDRPB-UHFFFAOYSA-N -1 1 533.631 5.713 40 0 KKABMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Oc3ccccc3)cc2)c1 ZINC000000859467 551550659 /nfs/dbraw/zinc/55/06/59/551550659.db2.gz MLACFELUAYVAEM-UHFFFAOYSA-N -1 1 551.418 5.721 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)c4ccc(Cl)cc4)o3)cc2)cc1 ZINC000001326431 551643166 /nfs/dbraw/zinc/64/31/66/551643166.db2.gz YNDORTFGKAGUKE-UHFFFAOYSA-N -1 1 516.000 5.174 40 0 KKABMM COc1ccc(C([O-])=C2[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000001464633 551679987 /nfs/dbraw/zinc/67/99/87/551679987.db2.gz BDWOKAQBXOQMAD-ZWCUEREDSA-N -1 1 529.298 5.366 40 0 KKABMM Cc1c(Cl)c(C)c(Sc2c(C)c(Cl)c(C)c(Br)c2O)c([O-])c1Br ZINC000001700227 551689934 /nfs/dbraw/zinc/68/99/34/551689934.db2.gz YUOXVDBYXDFWEV-UHFFFAOYSA-N -1 1 501.067 7.314 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc(C)c(C)c5)cc4c3c2)cc1C ZINC000005941861 552514123 /nfs/dbraw/zinc/51/41/23/552514123.db2.gz KGDCAKHTNSEXIQ-UHFFFAOYSA-N -1 1 534.659 6.421 40 0 KKABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3c2c1 ZINC000005941984 552514427 /nfs/dbraw/zinc/51/44/27/552514427.db2.gz PTUFJHFGUBRRTH-UHFFFAOYSA-N -1 1 534.659 6.421 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1F)c1ccc(Cl)cc1 ZINC000008810089 553148229 /nfs/dbraw/zinc/14/82/29/553148229.db2.gz RACWYGDQZQXQTA-UHFFFAOYSA-N -1 1 510.974 6.111 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)cc3[O-])oc2c1 ZINC000008833328 553160388 /nfs/dbraw/zinc/16/03/88/553160388.db2.gz XLXBGNBTQYRMEN-UHFFFAOYSA-N -1 1 509.587 6.215 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2C)cc1 ZINC000010314350 553332781 /nfs/dbraw/zinc/33/27/81/553332781.db2.gz ZGBOGCDSYRPCJT-UHFFFAOYSA-N -1 1 513.619 5.287 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2C)cc1 ZINC000010314533 553332818 /nfs/dbraw/zinc/33/28/18/553332818.db2.gz BDCLOGDFLKULDG-UHFFFAOYSA-N -1 1 527.646 5.329 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2C)cc1 ZINC000010314900 553332906 /nfs/dbraw/zinc/33/29/06/553332906.db2.gz YSFRXEMBCMOVNR-QFIPXVFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)cc2C)cc1 ZINC000010314631 553332925 /nfs/dbraw/zinc/33/29/25/553332925.db2.gz GAORYHXCYMKMCE-JOCHJYFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010331541 553334034 /nfs/dbraw/zinc/33/40/34/553334034.db2.gz VWNSJHRQBCNTAI-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2C)cc1 ZINC000010358674 553335151 /nfs/dbraw/zinc/33/51/51/553335151.db2.gz RRTUASLVWROGTC-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)cc2C)cc1 ZINC000010359792 553335520 /nfs/dbraw/zinc/33/55/20/553335520.db2.gz NGMIPHYIPOHNOF-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3c(F)cccc3Cl)ccc2C)cc1 ZINC000010366395 553335623 /nfs/dbraw/zinc/33/56/23/553335623.db2.gz PTAYOIZOLIHZBG-UHFFFAOYSA-N -1 1 507.052 5.560 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000014154584 553504326 /nfs/dbraw/zinc/50/43/26/553504326.db2.gz NNWRJUNLNUDHQD-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)ccc2C)c1 ZINC000014154488 553504344 /nfs/dbraw/zinc/50/43/44/553504344.db2.gz HCDGOVJMGMUSRK-UHFFFAOYSA-N -1 1 527.646 5.595 40 0 KKABMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000014397135 553514881 /nfs/dbraw/zinc/51/48/81/553514881.db2.gz FJGGSQKNPHTIPC-OAHLLOKOSA-N -1 1 512.937 5.874 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000014400671 553515373 /nfs/dbraw/zinc/51/53/73/553515373.db2.gz IEYXEUBDVVSZTH-QGZVFWFLSA-N -1 1 507.439 6.125 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000014401595 553515635 /nfs/dbraw/zinc/51/56/35/553515635.db2.gz AFFHSKBINDRUEN-UHFFFAOYSA-N -1 1 514.445 5.493 40 0 KKABMM CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c([O-])c(Br)c3Br)S2)cc1 ZINC000016161844 553555751 /nfs/dbraw/zinc/55/57/51/553555751.db2.gz ZBITVCSMENYNOD-SZJVNEJHSA-N -1 1 514.239 5.088 40 0 KKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020455356 553652565 /nfs/dbraw/zinc/65/25/65/553652565.db2.gz QDTFTZDQIXYPOU-HSZRJFAPSA-N -1 1 507.439 6.207 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000020455975 553652896 /nfs/dbraw/zinc/65/28/96/553652896.db2.gz DCXSOFDOKPWNAT-UHFFFAOYSA-N -1 1 511.647 6.001 40 0 KKABMM Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)CC1 ZINC000020458400 553654090 /nfs/dbraw/zinc/65/40/90/553654090.db2.gz YNEYXUIJGICEPT-UHFFFAOYSA-N -1 1 504.439 5.065 40 0 KKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020459450 553654522 /nfs/dbraw/zinc/65/45/22/553654522.db2.gz IETFZXROXAKRMC-FQEVSTJZSA-N -1 1 513.830 6.244 40 0 KKABMM CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)c2)cc1 ZINC000020459762 553654853 /nfs/dbraw/zinc/65/48/53/553654853.db2.gz RGISANAKVSEROW-UHFFFAOYSA-N -1 1 512.631 6.268 40 0 KKABMM CCOc1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1OCC ZINC000020482793 553658274 /nfs/dbraw/zinc/65/82/74/553658274.db2.gz MGWPOGUIZSBBAU-UHFFFAOYSA-N -1 1 503.020 5.177 40 0 KKABMM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020487421 553659140 /nfs/dbraw/zinc/65/91/40/553659140.db2.gz CINNHMHYMJWHAF-HSZRJFAPSA-N -1 1 517.445 5.663 40 0 KKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020489775 553660004 /nfs/dbraw/zinc/66/00/04/553660004.db2.gz XVWZZAOTMCDPQD-JOCHJYFZSA-N -1 1 517.445 5.663 40 0 KKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020039529 553668598 /nfs/dbraw/zinc/66/85/98/553668598.db2.gz KFPQPYNAOZPVSZ-JOCHJYFZSA-N -1 1 507.439 6.207 40 0 KKABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020041913 553669192 /nfs/dbraw/zinc/66/91/92/553669192.db2.gz MMQGQDLYVSNOJY-KRWDZBQOSA-N -1 1 500.020 5.230 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1Cl ZINC000020048950 553670505 /nfs/dbraw/zinc/67/05/05/553670505.db2.gz UPKSWZFKFKTMNC-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)c(Cl)c2)cc1 ZINC000020049782 553670793 /nfs/dbraw/zinc/67/07/93/553670793.db2.gz JPZRJAWSUKMJEZ-MHZLTWQESA-N -1 1 505.039 6.277 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000020050381 553670856 /nfs/dbraw/zinc/67/08/56/553670856.db2.gz ZZRBVYVLNJAAGB-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccccc1F ZINC000083313783 553676717 /nfs/dbraw/zinc/67/67/17/553676717.db2.gz CQEYDWYOUUBOQK-NVNXTCNLSA-N -1 1 501.342 5.347 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022110949 553726759 /nfs/dbraw/zinc/72/67/59/553726759.db2.gz LJCGYYDFVWIXPB-UHFFFAOYSA-N -1 1 502.427 6.031 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCC4)c3)ccc21 ZINC000026116859 553816496 /nfs/dbraw/zinc/81/64/96/553816496.db2.gz ZYYVHWQWVLQMDD-UHFFFAOYSA-N -1 1 507.681 5.963 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118743 553817245 /nfs/dbraw/zinc/81/72/45/553817245.db2.gz KYHCVDPPXVWRKE-UHFFFAOYSA-N -1 1 526.749 6.374 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCC(C)CC4)c3)ccc21 ZINC000026119389 553817500 /nfs/dbraw/zinc/81/75/00/553817500.db2.gz DVRNFICAKLKLNW-UHFFFAOYSA-N -1 1 521.708 6.209 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(=O)N1CCCCCC1 ZINC000026120522 553817883 /nfs/dbraw/zinc/81/78/83/553817883.db2.gz CZBZPRNLANBHQL-UHFFFAOYSA-N -1 1 517.898 5.641 40 0 KKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000030754911 553856497 /nfs/dbraw/zinc/85/64/97/553856497.db2.gz LSKGDAMRLQRACK-SFHVURJKSA-N -1 1 506.546 5.837 40 0 KKABMM CCOc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1OCC ZINC000030848582 553857478 /nfs/dbraw/zinc/85/74/78/553857478.db2.gz YRPALBWLDBJVLT-QGZVFWFLSA-N -1 1 503.020 5.429 40 0 KKABMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1N1CCCC1=O ZINC000030856836 553858528 /nfs/dbraw/zinc/85/85/28/553858528.db2.gz QURCSGWORBWKQH-UHFFFAOYSA-N -1 1 505.640 5.472 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OC ZINC000030858847 553858867 /nfs/dbraw/zinc/85/88/67/553858867.db2.gz DIHBYPRXBMQCTO-GOSISDBHSA-N -1 1 522.648 5.777 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2C)cc1C ZINC000033645506 553965653 /nfs/dbraw/zinc/96/56/53/553965653.db2.gz ZMSQTSLTWVWFKT-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000097983919 554012823 /nfs/dbraw/zinc/01/28/23/554012823.db2.gz GGMDPSCZEQJNJL-WNFFAQDZSA-N -1 1 615.677 7.943 40 0 KKABMM C[C@]12C[C@H](CC(C)(C)C1)N(S(=O)(=O)c1cccc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)c1)C2 ZINC000098042978 554123477 /nfs/dbraw/zinc/12/34/77/554123477.db2.gz MTZJYYKFTYNNFC-MMTVBGGISA-N -1 1 538.691 5.976 40 0 KKABMM CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1[C@@H](O)[C@@H](O)C(=O)C=C(O)CC(=O)[O-] ZINC000100070412 554200934 /nfs/dbraw/zinc/20/09/34/554200934.db2.gz UVDUPWCOLXAAMP-WEZIJMHWSA-N -1 1 586.616 5.192 40 0 in-vitro KKABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000100091335 554211448 /nfs/dbraw/zinc/21/14/48/554211448.db2.gz BETHTUAJOUJYEE-UHFFFAOYSA-N -1 1 539.384 5.755 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000100095037 554215546 /nfs/dbraw/zinc/21/55/46/554215546.db2.gz BPCRVOXZDSBUMA-UHFFFAOYSA-N -1 1 616.976 5.628 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000100096490 554217849 /nfs/dbraw/zinc/21/78/49/554217849.db2.gz VWPCOIRWBYMWQK-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM CSc1ccc([C@H](c2c(=O)[nH]c3c(-c4ccccc4)cccc3c2O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000100249346 554262003 /nfs/dbraw/zinc/26/20/03/554262003.db2.gz FFMUDKAAAYNVQQ-WJOKGBTCSA-N -1 1 608.719 7.813 40 0 biogenic,in-vitro KKABMM O=C(NCc1ccccc1)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000038756149 554276731 /nfs/dbraw/zinc/27/67/31/554276731.db2.gz HEELCNDJVKLBEA-UHFFFAOYSA-N -1 1 520.010 5.323 40 0 KKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)c2)cc1 ZINC000038756958 554276939 /nfs/dbraw/zinc/27/69/39/554276939.db2.gz AGARJHGFQSKYEJ-UHFFFAOYSA-N -1 1 527.646 6.290 40 0 KKABMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000044849645 554305320 /nfs/dbraw/zinc/30/53/20/554305320.db2.gz YINGVQMTPHXSKP-AWEZNQCLSA-N -1 1 509.809 5.309 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1OC ZINC000044900435 554308502 /nfs/dbraw/zinc/30/85/02/554308502.db2.gz AEVYKIZVRXQMCG-MRXNPFEDSA-N -1 1 521.060 5.586 40 0 KKABMM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000059331531 554389195 /nfs/dbraw/zinc/38/91/95/554389195.db2.gz WEOVVAKHODSAKC-UHFFFAOYSA-N -1 1 516.406 6.259 40 0 KKABMM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])c(CC(=O)c3ccc(F)cc3)s2)cc1 ZINC000059691170 554425178 /nfs/dbraw/zinc/42/51/78/554425178.db2.gz WPOHFODRMFJNKV-YTMVLYRLSA-N -1 1 537.616 6.410 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059691244 554425444 /nfs/dbraw/zinc/42/54/44/554425444.db2.gz IKEWXMPJHRWJBF-UIOOFZCWSA-N -1 1 556.644 5.050 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059691240 554425527 /nfs/dbraw/zinc/42/55/27/554425527.db2.gz IKEWXMPJHRWJBF-IZZNHLLZSA-N -1 1 556.644 5.050 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1 ZINC000059852548 554451774 /nfs/dbraw/zinc/45/17/74/554451774.db2.gz QYEZOPRSMMNJLK-UHFFFAOYSA-N -1 1 572.064 5.203 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)c2C)cc1 ZINC000059852560 554451813 /nfs/dbraw/zinc/45/18/13/554451813.db2.gz USOOOEZCEZVVAW-UHFFFAOYSA-N -1 1 540.685 6.885 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059858522 554455962 /nfs/dbraw/zinc/45/59/62/554455962.db2.gz CLNLZAQLDAJGGN-UHFFFAOYSA-N -1 1 588.082 5.422 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cccc(C)c2)cc1 ZINC000059858444 554455988 /nfs/dbraw/zinc/45/59/88/554455988.db2.gz FPSPISMCHYPXGF-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000059881968 554457517 /nfs/dbraw/zinc/45/75/17/554457517.db2.gz REMBHNGPLUOAAQ-UHFFFAOYSA-N -1 1 590.510 5.628 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882599 554458750 /nfs/dbraw/zinc/45/87/50/554458750.db2.gz IJHOVKALQVXORK-UHFFFAOYSA-N -1 1 619.643 5.349 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000059882952 554459303 /nfs/dbraw/zinc/45/93/03/554459303.db2.gz GTKSNRUTMOMWMO-UHFFFAOYSA-N -1 1 576.911 5.161 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000059883475 554460671 /nfs/dbraw/zinc/46/06/71/554460671.db2.gz PWRBMNIQMFULIP-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM O=C(CSCc1cccc(Br)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000059884505 554462790 /nfs/dbraw/zinc/46/27/90/554462790.db2.gz RBQPMJGXEPIHSK-UHFFFAOYSA-N -1 1 525.877 5.775 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000059884645 554463040 /nfs/dbraw/zinc/46/30/40/554463040.db2.gz UXKMELXXPHLLMA-PMERELPUSA-N -1 1 592.142 6.476 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccccc2Cl)cc1 ZINC000059884931 554463747 /nfs/dbraw/zinc/46/37/47/554463747.db2.gz QXCFQTFXVBWIBJ-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059885806 554465454 /nfs/dbraw/zinc/46/54/54/554465454.db2.gz JWMBZLWUUGMMRX-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2C)cc1 ZINC000059885932 554465668 /nfs/dbraw/zinc/46/56/68/554465668.db2.gz MVXKLTQSMZBABD-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000059886470 554466722 /nfs/dbraw/zinc/46/67/22/554466722.db2.gz GQVUMYMOPHLWSL-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059887249 554468318 /nfs/dbraw/zinc/46/83/18/554468318.db2.gz DZRXUGSOETZBTO-UHFFFAOYSA-N -1 1 563.701 5.445 40 0 KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059887335 554468617 /nfs/dbraw/zinc/46/86/17/554468617.db2.gz IMOCMXJAVKFUTD-UHFFFAOYSA-N -1 1 610.463 5.526 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059887426 554468753 /nfs/dbraw/zinc/46/87/53/554468753.db2.gz AOBQIXUVEWUYFX-UHFFFAOYSA-N -1 1 627.788 6.906 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(C)c(C)c2)cc1 ZINC000059887779 554469603 /nfs/dbraw/zinc/46/96/03/554469603.db2.gz YFLRHYSSYSXFMO-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887814 554469677 /nfs/dbraw/zinc/46/96/77/554469677.db2.gz JYRWFAXNFAJIAT-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(C)cc2C)cc1 ZINC000059887977 554469920 /nfs/dbraw/zinc/46/99/20/554469920.db2.gz FHOAOJCPCLBAEY-UHFFFAOYSA-N -1 1 613.761 6.400 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000059887989 554469960 /nfs/dbraw/zinc/46/99/60/554469960.db2.gz VARAEYBQUQTCSY-UHFFFAOYSA-N -1 1 604.537 6.013 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059888077 554470282 /nfs/dbraw/zinc/47/02/82/554470282.db2.gz ASKGMXQBPWQTSM-UHFFFAOYSA-N -1 1 593.727 5.337 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccccc2)cc1 ZINC000059888136 554470359 /nfs/dbraw/zinc/47/03/59/554470359.db2.gz UCLREQDLIGVYJC-LGUFXXKBSA-N -1 1 533.049 6.637 40 0 KKABMM O=C(CSCc1cccc(Br)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059888362 554471052 /nfs/dbraw/zinc/47/10/52/554471052.db2.gz CSESQWZCUMUPJK-UHFFFAOYSA-N -1 1 593.874 6.794 40 0 KKABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000059888615 554471584 /nfs/dbraw/zinc/47/15/84/554471584.db2.gz PEYNQPJXUVRLFA-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1 ZINC000059888762 554471802 /nfs/dbraw/zinc/47/18/02/554471802.db2.gz XJPLJNDPKAPWSG-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)c(Cl)c2)cc1 ZINC000059923908 554474395 /nfs/dbraw/zinc/47/43/95/554474395.db2.gz ABJZQYONQIOIND-UHFFFAOYSA-N -1 1 535.025 5.027 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000060028231 554491409 /nfs/dbraw/zinc/49/14/09/554491409.db2.gz KZJAXSNOTSGBCR-FQEVSTJZSA-N -1 1 548.064 6.193 40 0 KKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000060028286 554492006 /nfs/dbraw/zinc/49/20/06/554492006.db2.gz QPRRWVGESQSKBJ-UHFFFAOYSA-N -1 1 526.558 5.254 40 0 KKABMM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060028546 554493419 /nfs/dbraw/zinc/49/34/19/554493419.db2.gz NCHWSRKSZCAZCA-UHFFFAOYSA-N -1 1 532.968 6.171 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000060060846 554501141 /nfs/dbraw/zinc/50/11/41/554501141.db2.gz OWFNWALEGJFEOJ-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101252409 554694222 /nfs/dbraw/zinc/69/42/22/554694222.db2.gz PFQZZQCRQNQZAQ-AWCRTANDSA-N -1 1 514.622 5.932 40 0 KKABMM O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356313 554915154 /nfs/dbraw/zinc/91/51/54/554915154.db2.gz QGAQXUAVHVGNPR-AWEZNQCLSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356426 554915439 /nfs/dbraw/zinc/91/54/39/554915439.db2.gz SZINMFWLQUZXSA-SECBINFHSA-N -1 1 513.168 5.192 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(oc(C)c3C(C)=O)c(Sc3nc4ccccc4s3)c2)cc1 ZINC000102615636 554984273 /nfs/dbraw/zinc/98/42/73/554984273.db2.gz CMWDLLSPKBRCLA-UHFFFAOYSA-N -1 1 538.672 6.904 40 0 KKABMM O=C1Sc2c3c1cccc3c(S(=O)(=O)Nc1ccc(Cl)cc1)cc2S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000102628955 554988757 /nfs/dbraw/zinc/98/87/57/554988757.db2.gz FSFWXQCBQNBFDC-UHFFFAOYSA-N -1 1 565.481 5.994 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102756986 555049700 /nfs/dbraw/zinc/04/97/00/555049700.db2.gz WSGXYDUGBGMQTN-OZNIXHKMSA-N -1 1 500.595 5.624 40 0 KKABMM CCOc1ccccc1NC(=O)C(O)=CC(=O)c1sc([N-]c2nnc(-c3ccc(Cl)c(Cl)c3)o2)nc1C ZINC000102954630 555173458 /nfs/dbraw/zinc/17/34/58/555173458.db2.gz QFXDYDVJPDBBEO-UHFFFAOYSA-N -1 1 560.419 5.731 40 0 KKABMM O=C(Nc1ccc2nc(-c3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)ccc3O)[nH]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC000103532905 555433306 /nfs/dbraw/zinc/43/33/06/555433306.db2.gz MFBFFWITVQRYKK-UHFFFAOYSA-N -1 1 564.730 7.245 40 0 KKABMM CCOc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc(OCC)c1OCC ZINC000105310353 571395962 /nfs/dbraw/zinc/39/59/62/571395962.db2.gz IJLBYNUXNDSWBM-UHFFFAOYSA-N -1 1 535.622 5.832 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Br)cccc45)cc3[O-])oc2c1 ZINC000105310369 571395986 /nfs/dbraw/zinc/39/59/86/571395986.db2.gz BHHLAXIMPIUCBR-UHFFFAOYSA-N -1 1 532.419 6.551 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc(Br)ccc4Cl)cc3[O-])oc2c1 ZINC000105310336 571396044 /nfs/dbraw/zinc/39/60/44/571396044.db2.gz VVGWJHHEZCUAOX-UHFFFAOYSA-N -1 1 516.804 6.052 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(I)ccc4Cl)cc3[O-])nc2c1 ZINC000105310527 571396084 /nfs/dbraw/zinc/39/60/84/571396084.db2.gz AHOPPJMLCFXBLH-UHFFFAOYSA-N -1 1 577.831 6.148 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3[O-])nc2c1 ZINC000105310635 571396100 /nfs/dbraw/zinc/39/61/00/571396100.db2.gz PWSDEJHOZACDJW-UHFFFAOYSA-N -1 1 542.469 7.411 40 0 KKABMM COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)c(F)c1F ZINC000105310713 571396171 /nfs/dbraw/zinc/39/61/71/571396171.db2.gz DOVDAZZLRAVYQU-UHFFFAOYSA-N -1 1 525.867 5.546 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000105339524 571403319 /nfs/dbraw/zinc/40/33/19/571403319.db2.gz YTRBLFKCNKXRGQ-UHFFFAOYSA-N -1 1 613.761 6.345 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222839196 571404231 /nfs/dbraw/zinc/40/42/31/571404231.db2.gz WLHCVYRLMCZFKO-LJAQVGFWSA-N -1 1 640.545 5.326 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)ccc1C ZINC000106236010 571411628 /nfs/dbraw/zinc/41/16/28/571411628.db2.gz OLJGWGLAKGSMMV-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1 ZINC000106399232 571412442 /nfs/dbraw/zinc/41/24/42/571412442.db2.gz SCEDGNSKIZYRGK-UHFFFAOYSA-N -1 1 565.673 5.166 40 0 KKABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000106411131 571412458 /nfs/dbraw/zinc/41/24/58/571412458.db2.gz QUKCYVWSKNGZDC-INIZCTEOSA-N -1 1 590.045 5.261 40 0 KKABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000106411134 571412472 /nfs/dbraw/zinc/41/24/72/571412472.db2.gz QUKCYVWSKNGZDC-MRXNPFEDSA-N -1 1 590.045 5.261 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)ccc2C)c1 ZINC000107752616 571421044 /nfs/dbraw/zinc/42/10/44/571421044.db2.gz GTFLJWYMCQDHNW-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(I)cc1 ZINC000109777773 571430138 /nfs/dbraw/zinc/43/01/38/571430138.db2.gz RBWLCICJPJRKQS-UHFFFAOYSA-N -1 1 557.207 5.107 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000110198962 571430905 /nfs/dbraw/zinc/43/09/05/571430905.db2.gz CSRFMYLPGVGTSV-UHFFFAOYSA-N -1 1 612.173 6.154 40 0 KKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(C)c(Cl)c5)o4)cc3[O-])nc2c1 ZINC000112229389 571433930 /nfs/dbraw/zinc/43/39/30/571433930.db2.gz JBQKEQWTFYNMCG-XYOKQWHBSA-N -1 1 544.032 7.257 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000113511387 571439321 /nfs/dbraw/zinc/43/93/21/571439321.db2.gz RDCXHBVIHYRQPF-UHFFFAOYSA-N -1 1 518.191 5.948 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000113619676 571440878 /nfs/dbraw/zinc/44/08/78/571440878.db2.gz CGTPQHWSOLWLOK-UHFFFAOYSA-N -1 1 589.617 5.868 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)cc1C ZINC000113619863 571440967 /nfs/dbraw/zinc/44/09/67/571440967.db2.gz BWPWWEYODHNXBS-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)cc1 ZINC000113619867 571441048 /nfs/dbraw/zinc/44/10/48/571441048.db2.gz SLPGXYFBPKKMNK-UHFFFAOYSA-N -1 1 565.673 5.248 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OC ZINC000139703115 571453594 /nfs/dbraw/zinc/45/35/94/571453594.db2.gz CUXKHXJMCPBYFA-AWEZNQCLSA-N -1 1 541.478 5.931 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(Cl)c2)cc1 ZINC000139717094 571453695 /nfs/dbraw/zinc/45/36/95/571453695.db2.gz XKVIWFNQULQJQW-UHFFFAOYSA-N -1 1 535.109 7.169 40 0 KKABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)ccc1N1CCCC1=O ZINC000139720796 571453726 /nfs/dbraw/zinc/45/37/26/571453726.db2.gz XNXGDVJKLZFJJS-UHFFFAOYSA-N -1 1 554.477 5.030 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c(Cl)c2)cc1 ZINC000140027045 571454436 /nfs/dbraw/zinc/45/44/36/571454436.db2.gz NTWMDNNELIQJFA-UHFFFAOYSA-N -1 1 562.113 5.266 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000140092491 571455028 /nfs/dbraw/zinc/45/50/28/571455028.db2.gz HKIXWZFGZLTQDW-UHFFFAOYSA-N -1 1 546.092 6.654 40 0 KKABMM COc1ccc(C(c2c(C)[n-]n(-c3ccc(Cl)c(Cl)c3)c2=O)c2c(C)[nH]n(-c3ccc(Cl)c(Cl)c3)c2=O)cc1OC ZINC000150376229 571466426 /nfs/dbraw/zinc/46/64/26/571466426.db2.gz YAOSYJSWLJBNSH-UHFFFAOYSA-N -1 1 634.347 7.897 40 0 KKABMM COc1c([N-]S(=O)(=O)c2ccccc2)cc2c3c(cccc31)C/C2=C1\Cc2cc(NS(=O)(=O)c3ccccc3)c(OC)c3cccc1c23 ZINC000150384145 571468122 /nfs/dbraw/zinc/46/81/22/571468122.db2.gz HYHGSYLXLXLJBA-KTMFPKCZSA-N -1 1 674.800 7.635 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000150422224 571488382 /nfs/dbraw/zinc/48/83/82/571488382.db2.gz XNHZTWHLLUJMFC-AREMUKBSSA-N -1 1 652.072 5.755 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000150426319 571490611 /nfs/dbraw/zinc/49/06/11/571490611.db2.gz YZBPBVQUFTZCLN-UHFFFAOYSA-N -1 1 665.326 6.525 40 0 KKABMM O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000150427352 571491630 /nfs/dbraw/zinc/49/16/30/571491630.db2.gz SNUNZLPYTPQFOR-UHFFFAOYSA-N -1 1 624.955 6.282 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000150428516 571492122 /nfs/dbraw/zinc/49/21/22/571492122.db2.gz FULVCJGXYKWPGB-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000150429923 571493028 /nfs/dbraw/zinc/49/30/28/571493028.db2.gz GQPBPENVIBSTRN-INIZCTEOSA-N -1 1 684.973 6.647 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)cc1Cl ZINC000150429737 571493048 /nfs/dbraw/zinc/49/30/48/571493048.db2.gz GRFQESYYUOAZPL-UHFFFAOYSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000150431885 571493819 /nfs/dbraw/zinc/49/38/19/571493819.db2.gz QUYFLXLAAUTYLW-SFHVURJKSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000150433653 571494528 /nfs/dbraw/zinc/49/45/28/571494528.db2.gz TZFYAUGLIHKWNN-UHFFFAOYSA-N -1 1 683.433 6.699 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000150435147 571495232 /nfs/dbraw/zinc/49/52/32/571495232.db2.gz QCQJTPLOQOBDPR-UHFFFAOYSA-N -1 1 668.115 6.143 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000150435559 571495579 /nfs/dbraw/zinc/49/55/79/571495579.db2.gz ZDPWSLFAJZNKAU-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000150436187 571495988 /nfs/dbraw/zinc/49/59/88/571495988.db2.gz XMGRNCAJCYNMBJ-UHFFFAOYSA-N -1 1 714.209 7.114 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000150439285 571497224 /nfs/dbraw/zinc/49/72/24/571497224.db2.gz JQEPJOQSSYJAJK-UHFFFAOYSA-N -1 1 655.798 7.039 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)cc1 ZINC000150454659 571504197 /nfs/dbraw/zinc/50/41/97/571504197.db2.gz HOWGUKJJKKHNCH-UHFFFAOYSA-N -1 1 631.151 5.654 40 0 KKABMM O=C1S/C(=C\c2cc(I)cc(I)c2[O-])C(=O)N1Cc1ccc(Br)cc1 ZINC000150455324 571504378 /nfs/dbraw/zinc/50/43/78/571504378.db2.gz VBZPAVAVFWSSAT-NSIKDUERSA-N -1 1 642.050 5.600 40 0 KKABMM Cc1c(Br)c(C)c(-c2c([O-])c(Br)c(-c3c(C)c(Br)c(C)c(Br)c3C)c(O)c2Br)c(C)c1Br ZINC000150479174 571511564 /nfs/dbraw/zinc/51/15/64/571511564.db2.gz XEILUMHFFZWBGQ-UHFFFAOYSA-N -1 1 819.846 10.857 40 0 KKABMM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000150587014 571521939 /nfs/dbraw/zinc/52/19/39/571521939.db2.gz HVBQAXBDUSRVDO-UHFFFAOYSA-N -1 1 654.597 7.166 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nnc(SCc4ccccc4)s3)c2C)cc1 ZINC000224361641 571530125 /nfs/dbraw/zinc/53/01/25/571530125.db2.gz FIBXAJIKFAXVNM-UHFFFAOYSA-N -1 1 510.666 5.500 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1 ZINC000197821242 571564541 /nfs/dbraw/zinc/56/45/41/571564541.db2.gz WDHQGSLVERDLLB-UHFFFAOYSA-N -1 1 682.142 6.701 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000197821164 571564615 /nfs/dbraw/zinc/56/46/15/571564615.db2.gz YSUDZYURCVOMAN-UHFFFAOYSA-N -1 1 682.142 6.619 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cccc(Br)c2)cc1 ZINC000197821622 571564789 /nfs/dbraw/zinc/56/47/89/571564789.db2.gz RADMKHACTCWIMT-UHFFFAOYSA-N -1 1 663.015 6.354 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000197825630 571564960 /nfs/dbraw/zinc/56/49/60/571564960.db2.gz AGYMPNWAVSHXCY-UHFFFAOYSA-N -1 1 648.590 6.335 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cc(C)ccc2C)cc1 ZINC000197824747 571564974 /nfs/dbraw/zinc/56/49/74/571564974.db2.gz QNWHZFHWLMNORV-UHFFFAOYSA-N -1 1 631.698 6.265 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000197825348 571565048 /nfs/dbraw/zinc/56/50/48/571565048.db2.gz DWITYEMAUBTGNB-UHFFFAOYSA-N -1 1 650.178 6.445 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(F)cc2)cc1 ZINC000198311338 571566966 /nfs/dbraw/zinc/56/69/66/571566966.db2.gz IAUOPPDVCHHXMR-UHFFFAOYSA-N -1 1 656.079 6.441 40 0 KKABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000198312226 571567162 /nfs/dbraw/zinc/56/71/62/571567162.db2.gz VCHFWQUULIUXSP-UHFFFAOYSA-N -1 1 631.698 6.464 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198314846 571567370 /nfs/dbraw/zinc/56/73/70/571567370.db2.gz OTJYJBLTFLIGBE-UHFFFAOYSA-N -1 1 716.985 7.065 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2Cl)cc1 ZINC000198320084 571567922 /nfs/dbraw/zinc/56/79/22/571567922.db2.gz XULKGVIASFOPAB-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM CCCCCCOC(=O)[N-]C(=O)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 ZINC000205511580 571569509 /nfs/dbraw/zinc/56/95/09/571569509.db2.gz FZKPGDBVPFJTPG-UHFFFAOYSA-N -1 1 628.730 5.627 40 0 KKABMM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000215920924 571587835 /nfs/dbraw/zinc/58/78/35/571587835.db2.gz MIZNOWYHNOKCHJ-NRFANRHFSA-N -1 1 547.382 6.609 40 0 KKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000215926593 571587873 /nfs/dbraw/zinc/58/78/73/571587873.db2.gz JTXWAHKUNFDHRT-RUZDIDTESA-N -1 1 539.451 6.199 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000215934268 571588406 /nfs/dbraw/zinc/58/84/06/571588406.db2.gz GHZFWSYSWOFHBR-OAHLLOKOSA-N -1 1 540.585 5.643 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2C)cc1 ZINC000215948478 571589021 /nfs/dbraw/zinc/58/90/21/571589021.db2.gz WLUYYLHUGPICRX-UHFFFAOYSA-N -1 1 555.700 6.906 40 0 KKABMM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000215958337 571589434 /nfs/dbraw/zinc/58/94/34/571589434.db2.gz DPMRAMQPLYAZEI-JOCHJYFZSA-N -1 1 542.963 5.964 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)c2)cc1 ZINC000215960324 571589597 /nfs/dbraw/zinc/58/95/97/571589597.db2.gz UFTHTBCZAROFNO-UHFFFAOYSA-N -1 1 606.125 6.656 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)cc2)cc1Cl ZINC000215961570 571589719 /nfs/dbraw/zinc/58/97/19/571589719.db2.gz RORSXMHHQHIARH-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000215967525 571589883 /nfs/dbraw/zinc/58/98/83/571589883.db2.gz YRLPQVKFSOXQQU-OAQYLSRUSA-N -1 1 539.904 6.413 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)cc1Cl 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KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000408586180 572266242 /nfs/dbraw/zinc/26/62/42/572266242.db2.gz AOQFCHXZWGYYMC-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1Cl ZINC000408590546 572267768 /nfs/dbraw/zinc/26/77/68/572267768.db2.gz JRJLEONRUFDVJF-UHFFFAOYSA-N -1 1 533.355 6.139 40 0 KKABMM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408592774 572268827 /nfs/dbraw/zinc/26/88/27/572268827.db2.gz OOPIJUNZTSVASO-UHFFFAOYSA-N -1 1 512.937 5.740 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408592802 572268846 /nfs/dbraw/zinc/26/88/46/572268846.db2.gz OSXWPRNYBZTXRM-UHFFFAOYSA-N -1 1 556.946 5.354 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408594005 572269450 /nfs/dbraw/zinc/26/94/50/572269450.db2.gz RLVMGQLWFOWYBK-UHFFFAOYSA-N -1 1 623.436 7.062 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2ccccc2n3CC)cc1NC(=O)c1cccc(Cl)c1 ZINC000408594231 572269537 /nfs/dbraw/zinc/26/95/37/572269537.db2.gz NZIQKNUXJFUWSO-UHFFFAOYSA-N -1 1 548.064 6.920 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)c1 ZINC000408594573 572269768 /nfs/dbraw/zinc/26/97/68/572269768.db2.gz SWEHYAAEHXUIDO-UHFFFAOYSA-N -1 1 516.619 5.104 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCc2ccccc2C1 ZINC000408601318 572272810 /nfs/dbraw/zinc/27/28/10/572272810.db2.gz FMUUCTCXAGJLLD-UHFFFAOYSA-N -1 1 524.948 5.123 40 0 KKABMM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3Cl)CC2)c1C ZINC000408603428 572273584 /nfs/dbraw/zinc/27/35/84/572273584.db2.gz JVJAPXBZQNKTOW-UHFFFAOYSA-N -1 1 582.044 5.504 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408606555 572274989 /nfs/dbraw/zinc/27/49/89/572274989.db2.gz KRQCYZKSGGROGN-UHFFFAOYSA-N -1 1 521.392 6.402 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1OC ZINC000408616427 572278727 /nfs/dbraw/zinc/27/87/27/572278727.db2.gz YZUHDYQYCVQVQJ-UHFFFAOYSA-N -1 1 601.725 5.655 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2C)cc1C ZINC000408616838 572279066 /nfs/dbraw/zinc/27/90/66/572279066.db2.gz CHARWTPTHIFJBX-UHFFFAOYSA-N -1 1 533.049 6.549 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2C)c1 ZINC000408622264 572282010 /nfs/dbraw/zinc/28/20/10/572282010.db2.gz VLKHVXVXPWDVAH-UHFFFAOYSA-N -1 1 505.640 5.373 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(I)c3)ccc21 ZINC000408623615 572282771 /nfs/dbraw/zinc/28/27/71/572282771.db2.gz SERDSVUMUSSHDZ-UHFFFAOYSA-N -1 1 506.365 5.228 40 0 KKABMM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)[O-])o1 ZINC000408631265 572287274 /nfs/dbraw/zinc/28/72/74/572287274.db2.gz CUNCKEWWFMYVFV-RZNTYIFUSA-N -1 1 518.172 5.738 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1C ZINC000408629877 572285519 /nfs/dbraw/zinc/28/55/19/572285519.db2.gz JPDXKJRLMQTLHT-UHFFFAOYSA-N -1 1 505.640 5.373 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)ccc2OC(C)C)C(=O)[O-])n1 ZINC000408630553 572286305 /nfs/dbraw/zinc/28/63/05/572286305.db2.gz BOQIDCZXOXQXNJ-GIJQJNRQSA-N -1 1 524.824 5.901 40 0 KKABMM CCOC(=O)Cn1c(C)c(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])c2ccccc21 ZINC000408630783 572286639 /nfs/dbraw/zinc/28/66/39/572286639.db2.gz COTNFRGLKRSRQJ-MTJSOVHGSA-N -1 1 527.002 5.178 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(N4CCCCC4)o3)C(=O)[O-])n2)c1 ZINC000408631305 572287267 /nfs/dbraw/zinc/28/72/67/572287267.db2.gz DGNADITYIWCRQA-PDGQHHTCSA-N -1 1 535.420 5.053 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4c(C)cc(C)cc4C)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408631276 572287289 /nfs/dbraw/zinc/28/72/89/572287289.db2.gz CYKPQYIVVFDFRR-PPDIBHTLSA-N -1 1 561.660 6.220 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)[O-])n1 ZINC000408631327 572287443 /nfs/dbraw/zinc/28/74/43/572287443.db2.gz HPKXLGKHQYSPLC-JJFYIABZSA-N -1 1 562.862 7.237 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)[O-])n1 ZINC000408631524 572287543 /nfs/dbraw/zinc/28/75/43/572287543.db2.gz JZAJIUPLWAIWTR-JJFYIABZSA-N -1 1 546.407 6.723 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[O-])n1 ZINC000408632239 572288557 /nfs/dbraw/zinc/28/85/57/572288557.db2.gz PEXXMDAZWZCISB-ODLFYWEKSA-N -1 1 521.904 6.630 40 0 KKABMM O=C([O-])C(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632350 572288679 /nfs/dbraw/zinc/28/86/79/572288679.db2.gz DSBBZWJRYPYEFK-QRVIBDJDSA-N -1 1 521.429 6.999 40 0 KKABMM O=C([O-])C(=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632402 572288705 /nfs/dbraw/zinc/28/87/05/572288705.db2.gz FOOZZTYITGBGSD-ANYBSYGZSA-N -1 1 575.093 8.468 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3ccc(Cl)cc3)C(=O)[O-])n2)c1 ZINC000408632571 572288935 /nfs/dbraw/zinc/28/89/35/572288935.db2.gz JRBXQNKYUCETPD-QRVIBDJDSA-N -1 1 523.998 5.939 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)ccc3OCc3cccc(Cl)c3)C(=O)[O-])n2)c1 ZINC000408632591 572288993 /nfs/dbraw/zinc/28/89/93/572288993.db2.gz JTCABIFJNLPKOM-FMCGGJTJSA-N -1 1 558.443 6.593 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(Br)o2)C(=O)[O-])n1 ZINC000408632772 572289317 /nfs/dbraw/zinc/28/93/17/572289317.db2.gz SIFYQARVBZXRSF-SDQBBNPISA-N -1 1 535.601 5.470 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(C)cc4)cc3)C(=O)[O-])n2)c1 ZINC000408632857 572289464 /nfs/dbraw/zinc/28/94/64/572289464.db2.gz KSPFSBYQIFDONR-MSXFZWOLSA-N -1 1 503.580 5.594 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n1 ZINC000408633044 572289672 /nfs/dbraw/zinc/28/96/72/572289672.db2.gz VJTAPRVFDKEMKQ-AFPJDJCSSA-N -1 1 597.307 7.891 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)n(Cc4ccccc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408633057 572289684 /nfs/dbraw/zinc/28/96/84/572289684.db2.gz LFFXLWILLLGUTF-QQXSKIMKSA-N -1 1 526.618 6.018 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000408633465 572290231 /nfs/dbraw/zinc/29/02/31/572290231.db2.gz YTEMOHONRAGVIA-JJFYIABZSA-N -1 1 562.862 7.237 40 0 KKABMM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)cc(Cl)c3O)C(=O)[O-])o2)c1 ZINC000408633864 572290761 /nfs/dbraw/zinc/29/07/61/572290761.db2.gz QBPJKAGOUGRCFH-UUASQNMZSA-N -1 1 513.753 5.093 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccccc4Cl)cc3)C(=O)[O-])n2)c1 ZINC000408633969 572290826 /nfs/dbraw/zinc/29/08/26/572290826.db2.gz QMMYKVKHKFIGRD-KSEXSDGBSA-N -1 1 523.998 5.939 40 0 KKABMM COC(=O)c1cccc(-c2ccc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])o2)c1 ZINC000408634043 572290933 /nfs/dbraw/zinc/29/09/33/572290933.db2.gz RIERAQLZKRHERN-NDENLUEZSA-N -1 1 511.943 5.398 40 0 KKABMM CCOC(=O)c1ccc(-c2ccc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])o2)cc1 ZINC000408634200 572291104 /nfs/dbraw/zinc/29/11/04/572291104.db2.gz RZLPFQBDADHXSI-BKUYFWCQSA-N -1 1 525.970 5.788 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634253 572291218 /nfs/dbraw/zinc/29/12/18/572291218.db2.gz SUMYMGCGGUDRMY-MYKKPKGFSA-N -1 1 554.024 5.948 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408634858 572291921 /nfs/dbraw/zinc/29/19/21/572291921.db2.gz XHVLMLFLQPYQRE-MXAYSNPKSA-N -1 1 547.036 6.363 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OCc4ccccc4)c(I)c3)C(=O)[O-])n2)c1 ZINC000408635077 572292203 /nfs/dbraw/zinc/29/22/03/572292203.db2.gz YOOQKDNDNUDWEP-YVNNLAQVSA-N -1 1 741.345 6.495 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408635429 572292456 /nfs/dbraw/zinc/29/24/56/572292456.db2.gz BBXVDRJAUPMMKV-UHFFFAOYSA-N -1 1 588.435 5.541 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408636058 572292911 /nfs/dbraw/zinc/29/29/11/572292911.db2.gz KUUDEMRQQWGOEZ-UHFFFAOYSA-N -1 1 589.884 6.696 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408636029 572292951 /nfs/dbraw/zinc/29/29/51/572292951.db2.gz KRDKDHTXOMBFBW-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408636112 572293011 /nfs/dbraw/zinc/29/30/11/572293011.db2.gz LIJFXJULZUWRIJ-UHFFFAOYSA-N -1 1 536.881 6.739 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408636366 572293265 /nfs/dbraw/zinc/29/32/65/572293265.db2.gz PACCSIOSHPHTSU-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000408637288 572294299 /nfs/dbraw/zinc/29/42/99/572294299.db2.gz ZNZSRXYGOJCOLJ-UHFFFAOYSA-N -1 1 543.428 6.604 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(C)C ZINC000408678966 572320166 /nfs/dbraw/zinc/32/01/66/572320166.db2.gz GQTLSEZSBKGAQK-UHFFFAOYSA-N -1 1 529.467 5.727 40 0 KKABMM O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408679676 572320706 /nfs/dbraw/zinc/32/07/06/572320706.db2.gz JRMHMVQUFHBHFH-UHFFFAOYSA-N -1 1 572.039 5.094 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cccc(Cl)c2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423074 1069717398 /nfs/dbraw/zinc/71/73/98/1069717398.db2.gz AGVQPIZLGKRVHG-UHFFFAOYSA-N -1 1 537.019 7.180 40 0 KKABMM CCCOC(=O)c1cccc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)c1 ZINC000108423121 1069718367 /nfs/dbraw/zinc/71/83/67/1069718367.db2.gz WXNLTOLEZOLZMB-UHFFFAOYSA-N -1 1 588.664 7.093 40 0 KKABMM CCCCOc1ccccc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423225 1069719026 /nfs/dbraw/zinc/71/90/26/1069719026.db2.gz MAHSWKUHFVBUPM-UHFFFAOYSA-N -1 1 508.622 6.445 40 0 KKABMM CCCOc1ccc(Cl)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423208 1069719448 /nfs/dbraw/zinc/71/94/48/1069719448.db2.gz IKKBOXUSCLXIMD-UHFFFAOYSA-N -1 1 529.040 6.708 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Cl)c1OCC ZINC000108423425 1069720894 /nfs/dbraw/zinc/72/08/94/1069720894.db2.gz TUQYZOHZMAWVTK-UHFFFAOYSA-N -1 1 559.066 6.717 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Br)c1O ZINC000108423391 1069720955 /nfs/dbraw/zinc/72/09/55/1069720955.db2.gz OIOILHMYRKEBKH-UHFFFAOYSA-N -1 1 561.436 5.743 40 0 KKABMM COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OC(C)C ZINC000108423461 1069721984 /nfs/dbraw/zinc/72/19/84/1069721984.db2.gz BSESKHREGLMFDP-UHFFFAOYSA-N -1 1 524.621 6.062 40 0 KKABMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc(C)c1Cl ZINC000408705308 1069734968 /nfs/dbraw/zinc/73/49/68/1069734968.db2.gz BWMXBXQVAKIDEX-MRXNPFEDSA-N -1 1 537.863 5.926 40 0 KKABMM CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4[O-])c(=O)n32)cc1 ZINC000408845838 1070052763 /nfs/dbraw/zinc/05/27/63/1070052763.db2.gz HQROFEKPCMYNQC-CBYYHRJHSA-N -1 1 716.395 5.345 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408920409 1070226143 /nfs/dbraw/zinc/22/61/43/1070226143.db2.gz GMYMDVGTJGMGKF-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408920600 1070227378 /nfs/dbraw/zinc/22/73/78/1070227378.db2.gz JXOUXGSPQPGCBB-UHFFFAOYSA-N -1 1 649.669 5.357 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408926830 1070239571 /nfs/dbraw/zinc/23/95/71/1070239571.db2.gz RMYWMSOZJYDKJP-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408927000 1070240621 /nfs/dbraw/zinc/24/06/21/1070240621.db2.gz XJBHYBSILFSZHF-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000408924463 1070242923 /nfs/dbraw/zinc/24/29/23/1070242923.db2.gz JAVRMZVNSPOLPT-UHFFFAOYSA-N -1 1 563.701 5.323 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000409183487 1070602346 /nfs/dbraw/zinc/60/23/46/1070602346.db2.gz TWYAULATCNJWPL-UHFFFAOYSA-N -1 1 620.536 5.637 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(Br)cc1 ZINC000408906874 1070893721 /nfs/dbraw/zinc/89/37/21/1070893721.db2.gz JSDFMIXWLGZRHO-UHFFFAOYSA-N -1 1 535.363 5.070 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)cc2)c1 ZINC000409410659 1070920588 /nfs/dbraw/zinc/92/05/88/1070920588.db2.gz ZICSIXJIIDMKNT-UHFFFAOYSA-N -1 1 576.911 5.161 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)ccc2C)c1C ZINC000409411326 1070921253 /nfs/dbraw/zinc/92/12/53/1070921253.db2.gz GDFQZZSIDFWPSV-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM CCCCCCO[C@H]1C=CC=C[C@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408736944 1070951351 /nfs/dbraw/zinc/95/13/51/1070951351.db2.gz FCAHGESHPRPTJC-IZLXSDGUSA-N -1 1 538.692 6.926 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000408926812 1071071544 /nfs/dbraw/zinc/07/15/44/1071071544.db2.gz ZIEMUGASNNASBG-UHFFFAOYSA-N -1 1 679.014 6.054 40 0 KKABMM O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408926786 1071071042 /nfs/dbraw/zinc/07/10/42/1071071042.db2.gz QKLHCKZFBWREAY-UHFFFAOYSA-N -1 1 525.877 5.775 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(Cl)cc2C)cc1 ZINC000408926134 1071075297 /nfs/dbraw/zinc/07/52/97/1071075297.db2.gz PDKNSZYNRADPFP-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000408925257 1071078837 /nfs/dbraw/zinc/07/88/37/1071078837.db2.gz LNHSKEAZFSNIMB-UHFFFAOYSA-N -1 1 646.190 7.097 40 0 KKABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408924606 1071081609 /nfs/dbraw/zinc/08/16/09/1071081609.db2.gz KRYJMFQQUCPDFT-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408924311 1071082236 /nfs/dbraw/zinc/08/22/36/1071082236.db2.gz GOSMFMNGWYFUBW-UHFFFAOYSA-N -1 1 624.955 6.282 40 0 KKABMM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408923742 1071085660 /nfs/dbraw/zinc/08/56/60/1071085660.db2.gz LKZOTOJNDSFWON-MRXNPFEDSA-N -1 1 505.459 5.510 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(F)cc2)cc1 ZINC000408924040 1071084619 /nfs/dbraw/zinc/08/46/19/1071084619.db2.gz MZWYNIZTNVTDDJ-UHFFFAOYSA-N -1 1 621.634 5.788 40 0 KKABMM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408923287 1071087416 /nfs/dbraw/zinc/08/74/16/1071087416.db2.gz VOWCDLPDTPQGLS-AWEZNQCLSA-N -1 1 514.978 6.279 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408922329 1071091430 /nfs/dbraw/zinc/09/14/30/1071091430.db2.gz ZIHYNMVGDNYVRM-UHFFFAOYSA-N -1 1 638.089 6.378 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408921405 1071094527 /nfs/dbraw/zinc/09/45/27/1071094527.db2.gz ABAPFRDPOSMFQO-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)c1ccccc1 ZINC000408921162 1071097212 /nfs/dbraw/zinc/09/72/12/1071097212.db2.gz TZOLRMRLBIKJJC-UHFFFAOYSA-N -1 1 570.092 5.359 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408921067 1071097980 /nfs/dbraw/zinc/09/79/80/1071097980.db2.gz RPNCJNRJHLXYDS-UHFFFAOYSA-N -1 1 644.569 5.483 40 0 KKABMM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408920787 1071098412 /nfs/dbraw/zinc/09/84/12/1071098412.db2.gz MXWNLQYHOQHSOU-UHFFFAOYSA-N -1 1 521.458 5.130 40 0 KKABMM O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408920190 1071110571 /nfs/dbraw/zinc/11/05/71/1071110571.db2.gz AOSKAEQMYWMCDM-UHFFFAOYSA-N -1 1 657.614 6.359 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C)cc2)cc1 ZINC000408927670 1071192788 /nfs/dbraw/zinc/19/27/88/1071192788.db2.gz YZOJHQJBSMVNBJ-UHFFFAOYSA-N -1 1 593.727 5.337 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408927527 1071195056 /nfs/dbraw/zinc/19/50/56/1071195056.db2.gz WNLCWBOBUOFJQG-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408927445 1071197164 /nfs/dbraw/zinc/19/71/64/1071197164.db2.gz VEDFKFFXKYLWKC-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408682334 1071370517 /nfs/dbraw/zinc/37/05/17/1071370517.db2.gz XIXUYLSJGJUZFG-HXUWFJFHSA-N -1 1 509.411 5.599 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1OCC ZINC000408682343 1071370548 /nfs/dbraw/zinc/37/05/48/1071370548.db2.gz XOLNBMXLTPZDGZ-UHFFFAOYSA-N -1 1 545.466 5.392 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000408681304 1071376118 /nfs/dbraw/zinc/37/61/18/1071376118.db2.gz RONIKPLZQIHLFR-UHFFFAOYSA-N -1 1 634.073 5.479 40 0 KKABMM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408695613 1071383557 /nfs/dbraw/zinc/38/35/57/1071383557.db2.gz RZZKAWKQTRWJBJ-FQEVSTJZSA-N -1 1 530.927 6.095 40 0 KKABMM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)CC2)c1 ZINC000408695640 1071383843 /nfs/dbraw/zinc/38/38/43/1071383843.db2.gz WZXAPGHVOLKWES-UHFFFAOYSA-N -1 1 577.728 5.130 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1Cl ZINC000408694156 1071388974 /nfs/dbraw/zinc/38/89/74/1071388974.db2.gz CXCAONZUTKGFSZ-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000408694808 1071386350 /nfs/dbraw/zinc/38/63/50/1071386350.db2.gz MSMAJXZIPOKMAV-UHFFFAOYSA-N -1 1 572.108 5.479 40 0 KKABMM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408694916 1071386394 /nfs/dbraw/zinc/38/63/94/1071386394.db2.gz JQHPUICDQHNIES-HXUWFJFHSA-N -1 1 519.417 5.055 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408694400 1071387573 /nfs/dbraw/zinc/38/75/73/1071387573.db2.gz FTIVKJBSPWYUFP-UHFFFAOYSA-N -1 1 590.045 5.345 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)c1 ZINC000408694610 1071387700 /nfs/dbraw/zinc/38/77/00/1071387700.db2.gz KOOIALRTAGGKCV-UHFFFAOYSA-N -1 1 594.130 5.077 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(C)C ZINC000408694415 1071387951 /nfs/dbraw/zinc/38/79/51/1071387951.db2.gz GFHJWWFZCCWNKD-UHFFFAOYSA-N -1 1 529.467 5.727 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)cc1Cl ZINC000408694209 1071388303 /nfs/dbraw/zinc/38/83/03/1071388303.db2.gz FVNMQEWNUHKKCS-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C ZINC000408693227 1071391690 /nfs/dbraw/zinc/39/16/90/1071391690.db2.gz RLTONJZGEZDLKS-INIZCTEOSA-N -1 1 526.964 6.182 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000408694182 1071389760 /nfs/dbraw/zinc/38/97/60/1071389760.db2.gz DXGIFDOXPAYEJN-UHFFFAOYSA-N -1 1 590.045 5.345 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1Cl ZINC000408706450 1071432669 /nfs/dbraw/zinc/43/26/69/1071432669.db2.gz VRKUDSGPDYCYFD-KRWDZBQOSA-N -1 1 507.439 6.125 40 0 KKABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408705280 1071435369 /nfs/dbraw/zinc/43/53/69/1071435369.db2.gz BCYRGPFAAURGDL-UHFFFAOYSA-N -1 1 542.963 5.966 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)cc2)c1 ZINC000408704234 1071441408 /nfs/dbraw/zinc/44/14/08/1071441408.db2.gz YVSYWRJTFYOREK-UHFFFAOYSA-N -1 1 576.140 5.575 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704204 1071440588 /nfs/dbraw/zinc/44/05/88/1071440588.db2.gz KXJUKZYDCDBASW-LJAQVGFWSA-N -1 1 612.560 6.821 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2)cc1 ZINC000408701384 1071451488 /nfs/dbraw/zinc/45/14/88/1071451488.db2.gz XCHBJENDASWHDD-UHFFFAOYSA-N -1 1 616.186 6.249 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000408701731 1071450783 /nfs/dbraw/zinc/45/07/83/1071450783.db2.gz DTLMLRWJPBRFJD-UHFFFAOYSA-N -1 1 646.610 6.049 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000408701206 1071452287 /nfs/dbraw/zinc/45/22/87/1071452287.db2.gz UGNLZRWWZMOCEM-UHFFFAOYSA-N -1 1 568.504 5.221 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000408701310 1071452791 /nfs/dbraw/zinc/45/27/91/1071452791.db2.gz VZULLZGQGPMZNH-UHFFFAOYSA-N -1 1 636.501 6.240 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000408700936 1071453781 /nfs/dbraw/zinc/45/37/81/1071453781.db2.gz OOXMQMQVUBOTGP-UHFFFAOYSA-N -1 1 562.113 5.266 40 0 KKABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408700351 1071455337 /nfs/dbraw/zinc/45/53/37/1071455337.db2.gz DOYFGQBTXMTQHC-UHFFFAOYSA-N -1 1 609.795 6.294 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715044 1071471643 /nfs/dbraw/zinc/47/16/43/1071471643.db2.gz YOOZKSZHCGBKSV-UHFFFAOYSA-N -1 1 573.762 5.335 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714755 1071474287 /nfs/dbraw/zinc/47/42/87/1071474287.db2.gz NPAGEMQZRINOOF-UHFFFAOYSA-N -1 1 594.180 5.598 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714585 1071476215 /nfs/dbraw/zinc/47/62/15/1071476215.db2.gz HLGPXTWZGFUVIJ-UHFFFAOYSA-N -1 1 638.631 5.789 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)cc1 ZINC000408712535 1071481553 /nfs/dbraw/zinc/48/15/53/1071481553.db2.gz HDTBYDIURRJRJB-UHFFFAOYSA-N -1 1 585.707 6.311 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712534 1071481747 /nfs/dbraw/zinc/48/17/47/1071481747.db2.gz GZAHBBHHYHVXAM-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000408712563 1071482578 /nfs/dbraw/zinc/48/25/78/1071482578.db2.gz ONCLZTXZCRLCMA-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3)c2)cc1 ZINC000408712317 1071483345 /nfs/dbraw/zinc/48/33/45/1071483345.db2.gz LRTCPEBFXVCQRP-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cccc(Cl)c4Cl)S(C)(=O)=O)cc3)cc2)c1 ZINC000408712249 1071488819 /nfs/dbraw/zinc/48/88/19/1071488819.db2.gz BVLRYVAOXCJFCJ-UHFFFAOYSA-N -1 1 632.591 6.630 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1OC ZINC000408711443 1071492395 /nfs/dbraw/zinc/49/23/95/1071492395.db2.gz XQLOIIDXJXYEKM-UHFFFAOYSA-N -1 1 587.698 5.346 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711430 1071492491 /nfs/dbraw/zinc/49/24/91/1071492491.db2.gz WMHKURQDGURJRP-UHFFFAOYSA-N -1 1 600.516 5.611 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cc2C)cc1 ZINC000408711316 1071497386 /nfs/dbraw/zinc/49/73/86/1071497386.db2.gz HICUROQWLWIBCU-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1NS(C)(=O)=O ZINC000408711543 1071494806 /nfs/dbraw/zinc/49/48/06/1071494806.db2.gz VVKWURIOGCQLEG-UHFFFAOYSA-N -1 1 561.991 5.092 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1SCc1ccccc1 ZINC000408711537 1071494866 /nfs/dbraw/zinc/49/48/66/1071494866.db2.gz VEQIIDSRZQOZTQ-UHFFFAOYSA-N -1 1 577.049 7.704 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)cc2C)cc1 ZINC000408711300 1071496448 /nfs/dbraw/zinc/49/64/48/1071496448.db2.gz FQIMGSDMONIPFU-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2)S(C)(=O)=O)c1 ZINC000408711380 1071498872 /nfs/dbraw/zinc/49/88/72/1071498872.db2.gz PTZJEQRSLONLKU-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408711178 1071500429 /nfs/dbraw/zinc/50/04/29/1071500429.db2.gz DALQCSAWJKOEHE-UHFFFAOYSA-N -1 1 539.019 7.028 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408711209 1071500872 /nfs/dbraw/zinc/50/08/72/1071500872.db2.gz IFDNEEHMXCLORA-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1Cl ZINC000408711194 1071500917 /nfs/dbraw/zinc/50/09/17/1071500917.db2.gz GOFXFIVBJXRSPD-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2C)cc1 ZINC000408711183 1071500984 /nfs/dbraw/zinc/50/09/84/1071500984.db2.gz DKZLLHBMSSKVBX-UHFFFAOYSA-N -1 1 638.089 6.830 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2)S(C)(=O)=O)c1 ZINC000408711351 1071497943 /nfs/dbraw/zinc/49/79/43/1071497943.db2.gz LHZVCCPKMXHXOI-UHFFFAOYSA-N -1 1 577.728 5.631 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccc(Br)cc1 ZINC000408994699 1071556315 /nfs/dbraw/zinc/55/63/15/1071556315.db2.gz ZRSAOXOUMKZMLA-UHFFFAOYSA-N -1 1 539.495 7.463 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccc(Br)cc1 ZINC000408992859 1071570001 /nfs/dbraw/zinc/57/00/01/1071570001.db2.gz USYXBMMZDKCOBO-UHFFFAOYSA-N -1 1 525.468 7.073 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409051468 1071950909 /nfs/dbraw/zinc/95/09/09/1071950909.db2.gz AJZMWHRGIZLKOF-YOKWNPFVSA-N -1 1 690.332 5.086 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409101105 1072315851 /nfs/dbraw/zinc/31/58/51/1072315851.db2.gz VGQOEENYSSQTLG-PGZTYAEFSA-N -1 1 654.770 5.271 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409100366 1072320106 /nfs/dbraw/zinc/32/01/06/1072320106.db2.gz MXCOHZAECCQPQL-ZKZBLMLZSA-N -1 1 779.438 5.180 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000409329987 1072381449 /nfs/dbraw/zinc/38/14/49/1072381449.db2.gz JIVPVMBJVHLNNS-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409107683 1072412404 /nfs/dbraw/zinc/41/24/04/1072412404.db2.gz SMDNKUJISUZVRL-OLMUWDIHSA-N -1 1 661.161 5.146 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccccc3Sc3ccccc3)cc2)cc1 ZINC000409367241 1072571560 /nfs/dbraw/zinc/57/15/60/1072571560.db2.gz MZIPQXPFNGPBIZ-UHFFFAOYSA-N -1 1 502.661 6.518 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(I)cc2)cc1 ZINC000409372874 1072643978 /nfs/dbraw/zinc/64/39/78/1072643978.db2.gz PHGVSHIFJRKNTR-UHFFFAOYSA-N -1 1 562.411 6.280 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 ZINC000409370646 1072652404 /nfs/dbraw/zinc/65/24/04/1072652404.db2.gz BTKMPOFZKJUZOU-UHFFFAOYSA-N -1 1 828.876 9.117 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2ccccc2)cc1 ZINC000409165891 1072653188 /nfs/dbraw/zinc/65/31/88/1072653188.db2.gz AAGUQLHIBAZXLO-OVVQPSECSA-N -1 1 519.022 6.329 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 ZINC000409370489 1072653440 /nfs/dbraw/zinc/65/34/40/1072653440.db2.gz RSQJHXXCUWTJAI-UHFFFAOYSA-N -1 1 828.876 9.117 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(N(C)C)c(Br)c2)cc1 ZINC000409370525 1072653447 /nfs/dbraw/zinc/65/34/47/1072653447.db2.gz SHUCQVYBBVJOKF-UHFFFAOYSA-N -1 1 558.480 6.504 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(Cl)cc2Cl)cc1 ZINC000409369648 1072658045 /nfs/dbraw/zinc/65/80/45/1072658045.db2.gz ULBZXIFIVIXAFQ-UHFFFAOYSA-N -1 1 505.405 6.982 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000409369304 1072658472 /nfs/dbraw/zinc/65/84/72/1072658472.db2.gz KEUUNLZQMUFVCO-UHFFFAOYSA-N -1 1 622.725 8.416 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409368940 1072661962 /nfs/dbraw/zinc/66/19/62/1072661962.db2.gz TUESQFMQDDLUSL-UHFFFAOYSA-N -1 1 655.582 8.960 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409368275 1072664961 /nfs/dbraw/zinc/66/49/61/1072664961.db2.gz QZHAIZGNZVMUMO-UHFFFAOYSA-N -1 1 655.980 8.670 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409367865 1072667784 /nfs/dbraw/zinc/66/77/84/1072667784.db2.gz IOSZLIZANUBWSG-UHFFFAOYSA-N -1 1 611.529 8.561 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000409166982 1072701027 /nfs/dbraw/zinc/70/10/27/1072701027.db2.gz HSMQENNQHIBOFP-NCELDCMTSA-N -1 1 503.023 6.629 40 0 KKABMM O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000409166310 1072705015 /nfs/dbraw/zinc/70/50/15/1072705015.db2.gz DIAMIUSVZUMCBG-UHFFFAOYSA-N -1 1 726.412 5.689 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O ZINC000409166336 1072705046 /nfs/dbraw/zinc/70/50/46/1072705046.db2.gz DUWFTUPJNLPODB-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccccc2)cc1OC ZINC000409175236 1072718232 /nfs/dbraw/zinc/71/82/32/1072718232.db2.gz YILABGCLBSWAQI-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000409173428 1072727733 /nfs/dbraw/zinc/72/77/33/1072727733.db2.gz MZGVWJBHUMIIIA-UHFFFAOYSA-N -1 1 654.981 6.290 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)cc2)cc1 ZINC000409173229 1072728046 /nfs/dbraw/zinc/72/80/46/1072728046.db2.gz NZTYABFDTJENJB-UHFFFAOYSA-N -1 1 549.674 5.182 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2)cc1 ZINC000409172414 1072733579 /nfs/dbraw/zinc/73/35/79/1072733579.db2.gz HLMKUFVRUXVHSM-UHFFFAOYSA-N -1 1 584.119 5.835 40 0 KKABMM O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000409172148 1072735835 /nfs/dbraw/zinc/73/58/35/1072735835.db2.gz IOCUPNUIIQPFDK-UHFFFAOYSA-N -1 1 681.961 5.579 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409406113 1072759806 /nfs/dbraw/zinc/75/98/06/1072759806.db2.gz AJDKTEHAXRSYID-UHFFFAOYSA-N -1 1 631.698 6.211 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000409167458 1072760299 /nfs/dbraw/zinc/76/02/99/1072760299.db2.gz LUOCBCXFIHAMRX-UHFFFAOYSA-N -1 1 646.118 5.194 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)ccc2C)cc1 ZINC000409412125 1072789839 /nfs/dbraw/zinc/78/98/39/1072789839.db2.gz RTFWAUZMTFTHPL-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2)cc1 ZINC000409411971 1072791036 /nfs/dbraw/zinc/79/10/36/1072791036.db2.gz ORIKEPXKGYWNIL-UHFFFAOYSA-N -1 1 586.091 5.227 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000409411656 1072793230 /nfs/dbraw/zinc/79/32/30/1072793230.db2.gz YQJNNPUTOKZZIS-UHFFFAOYSA-N -1 1 631.774 6.159 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409181987 1072793375 /nfs/dbraw/zinc/79/33/75/1072793375.db2.gz HJEBQVUGBREASY-UHFFFAOYSA-N -1 1 676.169 5.009 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)ccc2C)c1 ZINC000409411623 1072795542 /nfs/dbraw/zinc/79/55/42/1072795542.db2.gz YBUDEPJHIJSLHX-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2C)c1C ZINC000409411488 1072796588 /nfs/dbraw/zinc/79/65/88/1072796588.db2.gz XOXWWZMKGBSKJZ-UHFFFAOYSA-N -1 1 541.673 5.637 40 0 KKABMM O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000409181552 1072796589 /nfs/dbraw/zinc/79/65/89/1072796589.db2.gz DBVITUWHZJVBIM-UHFFFAOYSA-N -1 1 697.576 6.079 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000409411282 1072797111 /nfs/dbraw/zinc/79/71/11/1072797111.db2.gz VVTUFYRJAKKZBY-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)c(OC)c1 ZINC000409411149 1072798849 /nfs/dbraw/zinc/79/88/49/1072798849.db2.gz DIOOHZJNVUUCRR-UHFFFAOYSA-N -1 1 602.090 5.211 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)ccc2C)c1C ZINC000409410692 1072802203 /nfs/dbraw/zinc/80/22/03/1072802203.db2.gz OLCVTIYAPCGPPZ-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)cc1 ZINC000409410485 1072803660 /nfs/dbraw/zinc/80/36/60/1072803660.db2.gz XNGCBIWGYDTNST-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409180085 1072805512 /nfs/dbraw/zinc/80/55/12/1072805512.db2.gz WHOQNHULUIESJM-UHFFFAOYSA-N -1 1 749.958 6.598 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409410247 1072805702 /nfs/dbraw/zinc/80/57/02/1072805702.db2.gz LRROAFSXNABZLN-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000409409582 1072810552 /nfs/dbraw/zinc/81/05/52/1072810552.db2.gz IHEWJLOMHQCGBW-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)ccc2C)c1 ZINC000409409445 1072811457 /nfs/dbraw/zinc/81/14/57/1072811457.db2.gz OZVSTEXVFSGXJH-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)ccc2C)c1C ZINC000409408672 1072814919 /nfs/dbraw/zinc/81/49/19/1072814919.db2.gz DIVUOFFZPOCFHB-UHFFFAOYSA-N -1 1 628.570 6.228 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000409178758 1072815567 /nfs/dbraw/zinc/81/55/67/1072815567.db2.gz NCTMVZOUWALSTE-KOEQRZSOSA-N -1 1 537.468 7.282 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000409408509 1072815853 /nfs/dbraw/zinc/81/58/53/1072815853.db2.gz DDENDHVSGPUJEV-OAQYLSRUSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409408390 1072816942 /nfs/dbraw/zinc/81/69/42/1072816942.db2.gz CGCADWFKDJSIKX-UHFFFAOYSA-N -1 1 662.189 7.076 40 0 KKABMM COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000409408222 1072817365 /nfs/dbraw/zinc/81/73/65/1072817365.db2.gz JLBSSZVLCHFNSK-UHFFFAOYSA-N -1 1 614.145 6.128 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)ccc2C)c1C ZINC000409407868 1072818527 /nfs/dbraw/zinc/81/85/27/1072818527.db2.gz ALSMMWNCWPBBOY-UHFFFAOYSA-N -1 1 527.646 5.595 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(F)cc2)cc1OC ZINC000409177553 1072822828 /nfs/dbraw/zinc/82/28/28/1072822828.db2.gz BZSOXQKVAGQYSZ-UHFFFAOYSA-N -1 1 634.107 5.131 40 0 KKABMM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=Cc3c(c(C)nn3-c3nc4cc(Cl)ccc4s3)C1=O)O2 ZINC001547139190 1073185097 /nfs/dbraw/zinc/18/50/97/1073185097.db2.gz MREUMGJEKZNCKB-VWLOTQADSA-N -1 1 507.955 5.254 40 0 KKABMM COc1cc(C=O)ccc1OCc1ccc(COc2ccc(-c3nc4ccccc4c(=O)[n-]3)cc2OC)cc1 ZINC000409264882 1073210546 /nfs/dbraw/zinc/21/05/46/1073210546.db2.gz MNQIIDIGHRWFJI-UHFFFAOYSA-N -1 1 522.557 5.990 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000002287543 552087891 /nfs/dbraw/zinc/08/78/91/552087891.db2.gz CZKTYPOIXMVYQB-LVCYWYKZSA-N -1 1 543.723 5.466 40 0 KKABMM COc1ccccc1[N-]S(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1 ZINC000003185176 552301429 /nfs/dbraw/zinc/30/14/29/552301429.db2.gz IBSOQROPZRTCHQ-UHFFFAOYSA-N -1 1 556.687 5.457 40 0 KKABMM CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(=O)Nc3ccc(NC(=O)c4ccc5ccccc5c4[O-])cc3)cc2)cc1 ZINC000005105624 552494035 /nfs/dbraw/zinc/49/40/35/552494035.db2.gz SYUVIHAOJVEJQI-UHFFFAOYSA-N -1 1 630.785 9.222 40 0 KKABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)Nc4ccccc4CC)cc3c2c1 ZINC000005940847 552513633 /nfs/dbraw/zinc/51/36/33/552513633.db2.gz DWRNFTMSCDATBY-UHFFFAOYSA-N -1 1 534.659 6.312 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1ccccc1Cl ZINC000008810400 553148467 /nfs/dbraw/zinc/14/84/67/553148467.db2.gz IBGCYYXOHFXHCQ-UHFFFAOYSA-N -1 1 507.292 6.204 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)c(F)c3)ccc21 ZINC000008810927 553148781 /nfs/dbraw/zinc/14/87/81/553148781.db2.gz SKUCUWIKYLCBOA-UHFFFAOYSA-N -1 1 505.546 6.146 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3[O-])oc2c(C)c1 ZINC000008833344 553160340 /nfs/dbraw/zinc/16/03/40/553160340.db2.gz UADVKRLHAIMWQL-UHFFFAOYSA-N -1 1 501.995 6.751 40 0 KKABMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)ccc2oc1-c1ccccc1 ZINC000008859967 553169942 /nfs/dbraw/zinc/16/99/42/553169942.db2.gz PHINOYIQAYIKBL-UHFFFAOYSA-N -1 1 505.636 6.992 40 0 KKABMM COC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc3c2oc1C(C)(C)C ZINC000008974128 553195738 /nfs/dbraw/zinc/19/57/38/553195738.db2.gz ZTYAXKJUJYPYFU-UHFFFAOYSA-N -1 1 516.413 6.233 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000010314614 553332788 /nfs/dbraw/zinc/33/27/88/553332788.db2.gz XJVVHHRJIBAMGC-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000010314686 553332949 /nfs/dbraw/zinc/33/29/49/553332949.db2.gz FMOADWNTHHEHBJ-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)cc2)cc1 ZINC000014155145 553504902 /nfs/dbraw/zinc/50/49/02/553504902.db2.gz ZOCYDYZPGGAYCU-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(F)cccc3Cl)ccc2C)c1 ZINC000014155516 553505152 /nfs/dbraw/zinc/50/51/52/553505152.db2.gz OZSFAOKWMGFTDF-UHFFFAOYSA-N -1 1 521.079 5.868 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc2ccccc2c1 ZINC000014225001 553506452 /nfs/dbraw/zinc/50/64/52/553506452.db2.gz SGLSKCMCKBVBSW-UHFFFAOYSA-N -1 1 507.420 5.748 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)cc2Cl ZINC000016779628 553581915 /nfs/dbraw/zinc/58/19/15/553581915.db2.gz IAVOWICJYIXEAC-UHFFFAOYSA-N -1 1 517.434 6.532 40 0 KKABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018088278 553603622 /nfs/dbraw/zinc/60/36/22/553603622.db2.gz YCFGIEJBOWXYAF-AWCRTANDSA-N -1 1 514.622 5.878 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Sc3ccccc3)c(Cl)c2)cc1 ZINC000019933802 553635830 /nfs/dbraw/zinc/63/58/30/553635830.db2.gz LHRJLQZNQQREMA-UHFFFAOYSA-N -1 1 509.052 6.853 40 0 KKABMM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020454687 553652659 /nfs/dbraw/zinc/65/26/59/553652659.db2.gz HDHGFNDPYAJGTN-UHFFFAOYSA-N -1 1 515.871 6.320 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000020023342 553662791 /nfs/dbraw/zinc/66/27/91/553662791.db2.gz ZSQKSUJMLLKGLQ-JOCHJYFZSA-N -1 1 505.423 5.367 40 0 KKABMM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000020023332 553662937 /nfs/dbraw/zinc/66/29/37/553662937.db2.gz WBWSFJYMXASXDG-HNNXBMFYSA-N -1 1 509.411 5.059 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000020024265 553663164 /nfs/dbraw/zinc/66/31/64/553663164.db2.gz VZWCAMZSRIWUGZ-GOSISDBHSA-N -1 1 501.446 5.368 40 0 KKABMM O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020049895 553670847 /nfs/dbraw/zinc/67/08/47/553670847.db2.gz DBRSIIRGECEFKH-UHFFFAOYSA-N -1 1 513.402 6.839 40 0 KKABMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306311 553709408 /nfs/dbraw/zinc/70/94/08/553709408.db2.gz YLAXSNIGWJPJNP-UHFFFAOYSA-N -1 1 513.830 6.244 40 0 KKABMM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306442 553709448 /nfs/dbraw/zinc/70/94/48/553709448.db2.gz VFXXYBMJAFMQHR-UHFFFAOYSA-N -1 1 511.430 6.642 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022111032 553726747 /nfs/dbraw/zinc/72/67/47/553726747.db2.gz RYAFLRXHKXSZLV-UHFFFAOYSA-N -1 1 500.983 5.740 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022111020 553726779 /nfs/dbraw/zinc/72/67/79/553726779.db2.gz FYNWEQQWVWOFTN-UHFFFAOYSA-N -1 1 517.438 6.254 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000022111049 553726834 /nfs/dbraw/zinc/72/68/34/553726834.db2.gz ZBJLGNMNHZHEST-UHFFFAOYSA-N -1 1 500.983 5.740 40 0 KKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000022524130 553744580 /nfs/dbraw/zinc/74/45/80/553744580.db2.gz YUSIAZVCGOMVRC-RUZDIDTESA-N -1 1 509.027 6.399 40 0 KKABMM COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000097951525 553809694 /nfs/dbraw/zinc/80/96/94/553809694.db2.gz BDWOKAQBXOQMAD-SFGWALBWSA-N -1 1 529.298 5.366 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000026116548 553816543 /nfs/dbraw/zinc/81/65/43/553816543.db2.gz MWEPIOHDXKHDIZ-UHFFFAOYSA-N -1 1 503.871 5.251 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N1CCCCCC1 ZINC000026120094 553817526 /nfs/dbraw/zinc/81/75/26/553817526.db2.gz BSBJKNLWXDHPJB-UHFFFAOYSA-N -1 1 506.999 5.898 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000026120104 553817543 /nfs/dbraw/zinc/81/75/43/553817543.db2.gz JTBFIFWFDQHTJR-UHFFFAOYSA-N -1 1 510.681 5.805 40 0 KKABMM CCOc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000097954856 553826026 /nfs/dbraw/zinc/82/60/26/553826026.db2.gz DMHNEUYLYCQTPN-CHQNGUEUSA-N -1 1 534.612 6.024 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)c1 ZINC000100091019 554211016 /nfs/dbraw/zinc/21/10/16/554211016.db2.gz DVCPMJDERKPNIP-FQEVSTJZSA-N -1 1 596.558 5.283 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000100092701 554213195 /nfs/dbraw/zinc/21/31/95/554213195.db2.gz GCOSOTNCZONMHU-SFHVURJKSA-N -1 1 616.976 5.628 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000100093717 554213907 /nfs/dbraw/zinc/21/39/07/554213907.db2.gz DJXUSHXQPVYJRX-UHFFFAOYSA-N -1 1 610.585 5.407 40 0 KKABMM CCc1ccc([C@H](c2c(O)c3cccc(-c4ccccc4)c3[nH]c2=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000100249330 554261987 /nfs/dbraw/zinc/26/19/87/554261987.db2.gz FEOUZTHPXRJPIX-JGCGQSQUSA-N -1 1 590.679 7.653 40 0 biogenic,in-vitro KKABMM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OCC ZINC000044840904 554304066 /nfs/dbraw/zinc/30/40/66/554304066.db2.gz SNUOLQNLPIIECQ-UHFFFAOYSA-N -1 1 503.020 5.177 40 0 KKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000044884811 554307828 /nfs/dbraw/zinc/30/78/28/554307828.db2.gz KPUVKIOKXPWRJA-JOCHJYFZSA-N -1 1 506.546 5.919 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3[O-])oc2c(C)c1 ZINC000059331528 554389112 /nfs/dbraw/zinc/38/91/12/554389112.db2.gz OTFQPFDBXLPOMH-UHFFFAOYSA-N -1 1 517.994 6.857 40 0 KKABMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059690924 554424944 /nfs/dbraw/zinc/42/49/44/554424944.db2.gz OJRSLIBWJOCRSY-FQLXRVMXSA-N -1 1 564.667 6.035 40 0 KKABMM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1OC ZINC000059837259 554442514 /nfs/dbraw/zinc/44/25/14/554442514.db2.gz BABUQQABFFNIFZ-OAHLLOKOSA-N -1 1 539.437 5.068 40 0 KKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1cccc(Br)c1 ZINC000059837206 554442625 /nfs/dbraw/zinc/44/26/25/554442625.db2.gz JBZFGQBNBGUVHT-HNNXBMFYSA-N -1 1 523.836 5.160 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059852433 554451197 /nfs/dbraw/zinc/45/11/97/554451197.db2.gz RUAGVGPSOXKCJM-UHFFFAOYSA-N -1 1 549.457 6.387 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059853195 554453821 /nfs/dbraw/zinc/45/38/21/554453821.db2.gz BUNFZVBASVJJLJ-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059858127 554455414 /nfs/dbraw/zinc/45/54/14/554455414.db2.gz UFRPUVTUQIKEBW-UHFFFAOYSA-N -1 1 599.734 6.091 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059858426 554455732 /nfs/dbraw/zinc/45/57/32/554455732.db2.gz AHWQTKKQJYDBMP-UHFFFAOYSA-N -1 1 610.463 5.526 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059858794 554456373 /nfs/dbraw/zinc/45/63/73/554456373.db2.gz SOMDBNNJTPAQII-UHFFFAOYSA-N -1 1 579.700 5.029 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccccc2Cl)cc1 ZINC000059882056 554457900 /nfs/dbraw/zinc/45/79/00/554457900.db2.gz SYHGJGHGLNRHJT-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059882630 554458807 /nfs/dbraw/zinc/45/88/07/554458807.db2.gz OVOGWFOBZAWAJX-UHFFFAOYSA-N -1 1 619.643 5.703 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000059882819 554459016 /nfs/dbraw/zinc/45/90/16/554459016.db2.gz AKDQZGRBBDWEQB-UHFFFAOYSA-N -1 1 557.524 7.647 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059883010 554459654 /nfs/dbraw/zinc/45/96/54/554459654.db2.gz WRSKRDGRRHLANZ-UHFFFAOYSA-N -1 1 603.644 5.649 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000059884429 554462449 /nfs/dbraw/zinc/46/24/49/554462449.db2.gz KSZGJJSZUMUOJG-UHFFFAOYSA-N -1 1 563.701 5.192 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059884359 554462482 /nfs/dbraw/zinc/46/24/82/554462482.db2.gz OWNBIGQDFIRGIE-UHFFFAOYSA-N -1 1 577.728 5.501 40 0 KKABMM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(C)cc2)cc1 ZINC000059884549 554462725 /nfs/dbraw/zinc/46/27/25/554462725.db2.gz JWYZRBMKOKSISO-UHFFFAOYSA-N -1 1 609.795 5.969 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000059884949 554463603 /nfs/dbraw/zinc/46/36/03/554463603.db2.gz ZNFXYUHFHHMCON-UHFFFAOYSA-N -1 1 623.753 5.264 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059885368 554464340 /nfs/dbraw/zinc/46/43/40/554464340.db2.gz LEDVIFLUDITXSR-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059885669 554465017 /nfs/dbraw/zinc/46/50/17/554465017.db2.gz QVFHLTQFQOGJTK-UHFFFAOYSA-N -1 1 593.727 5.255 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886049 554466126 /nfs/dbraw/zinc/46/61/26/554466126.db2.gz OTTJBBGVMCPRDJ-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cccc(Cl)c2)cc1 ZINC000059886255 554466312 /nfs/dbraw/zinc/46/63/12/554466312.db2.gz DWMCOJDHMJERQB-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccccc2F)cc1 ZINC000059886316 554466375 /nfs/dbraw/zinc/46/63/75/554466375.db2.gz RBALHVJBMOEJPR-UHFFFAOYSA-N -1 1 602.109 5.731 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059886354 554466735 /nfs/dbraw/zinc/46/67/35/554466735.db2.gz QYUBIKUKINUKIQ-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccccc2)cc1 ZINC000059887260 554468257 /nfs/dbraw/zinc/46/82/57/554468257.db2.gz OKCKUTVESOFWFP-UHFFFAOYSA-N -1 1 593.727 5.337 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059887277 554468305 /nfs/dbraw/zinc/46/83/05/554468305.db2.gz UKVNEFOPZYCDTA-UHFFFAOYSA-N -1 1 603.644 5.649 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2)cc1 ZINC000059887562 554468998 /nfs/dbraw/zinc/46/89/98/554468998.db2.gz WBNMKZNMLANCJZ-UHFFFAOYSA-N -1 1 619.643 5.349 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1 ZINC000059887594 554469041 /nfs/dbraw/zinc/46/90/41/554469041.db2.gz FONUPWQIZOJQON-UHFFFAOYSA-N -1 1 614.145 5.682 40 0 KKABMM O=C(CSCc1cccc(Br)c1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000059887529 554469056 /nfs/dbraw/zinc/46/90/56/554469056.db2.gz KKPORDZLOYFYFD-UHFFFAOYSA-N -1 1 559.429 6.141 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000059887650 554469221 /nfs/dbraw/zinc/46/92/21/554469221.db2.gz KJPBOMXTDVVQNM-UHFFFAOYSA-N -1 1 599.734 6.037 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000059887692 554469266 /nfs/dbraw/zinc/46/92/66/554469266.db2.gz UXDUIGIJCVIARV-UHFFFAOYSA-N -1 1 549.674 5.014 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059888365 554471153 /nfs/dbraw/zinc/47/11/53/554471153.db2.gz CYQZEPUCPOGQBK-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000059922832 554472654 /nfs/dbraw/zinc/47/26/54/554472654.db2.gz YKESRRPEUKVVTD-UHFFFAOYSA-N -1 1 529.898 6.628 40 0 KKABMM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059924273 554474932 /nfs/dbraw/zinc/47/49/32/554474932.db2.gz ZJGWXFCCNGTSSK-JOCHJYFZSA-N -1 1 526.964 6.264 40 0 KKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059924547 554475491 /nfs/dbraw/zinc/47/54/91/554475491.db2.gz RCUXKEOZSNKNEE-VWLOTQADSA-N -1 1 562.997 7.109 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)c(Cl)c2)cc1 ZINC000060028338 554492187 /nfs/dbraw/zinc/49/21/87/554492187.db2.gz FFDSJVDRFBDZBL-UHFFFAOYSA-N -1 1 576.118 7.251 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)ccc2Cl)c1 ZINC000060028709 554494851 /nfs/dbraw/zinc/49/48/51/554494851.db2.gz PBNZDXXADOIMOF-UHFFFAOYSA-N -1 1 600.122 5.218 40 0 KKABMM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060028856 554496307 /nfs/dbraw/zinc/49/63/07/554496307.db2.gz AJVGGWXAMINXGO-JOCHJYFZSA-N -1 1 540.991 6.573 40 0 KKABMM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000060060113 554498312 /nfs/dbraw/zinc/49/83/12/554498312.db2.gz NKHCYUHOHOFFKB-CQSZACIVSA-N -1 1 528.936 5.574 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)cc1Cl ZINC000060060990 554501771 /nfs/dbraw/zinc/50/17/71/554501771.db2.gz VUJQTRVBBKUMQT-UHFFFAOYSA-N -1 1 546.092 6.654 40 0 KKABMM O=S(=O)([N-]c1ccc(Cc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000100959907 554542183 /nfs/dbraw/zinc/54/21/83/554542183.db2.gz CJMPFZOCXSOAMY-UHFFFAOYSA-N -1 1 616.375 7.493 40 0 KKABMM O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356310 554915095 /nfs/dbraw/zinc/91/50/95/554915095.db2.gz MPCOETQERIURHX-NSHDSACASA-N -1 1 513.168 5.192 40 0 KKABMM COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000102694649 555009570 /nfs/dbraw/zinc/00/95/70/555009570.db2.gz BDWOKAQBXOQMAD-JUXOCIIHSA-N -1 1 529.298 5.366 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000102697344 555011929 /nfs/dbraw/zinc/01/19/29/555011929.db2.gz XRTRWZAHKQTWPE-WFXMLNOXSA-N -1 1 533.717 6.011 40 0 KKABMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)/c(=N/c3ccc(Cl)cc3)oc2cc1[O-] ZINC000102940667 555169409 /nfs/dbraw/zinc/16/94/09/555169409.db2.gz OLDWGCOTQUVGBJ-DIGXQUICSA-N -1 1 607.175 10.730 40 0 KKABMM COc1cccc(C(=O)[C@H]2C(=C([O-])c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N23)c1 ZINC000103520575 555425685 /nfs/dbraw/zinc/42/56/85/555425685.db2.gz SGSXNADEYJDAMK-MKYOLNSUSA-N -1 1 530.580 5.534 40 0 KKABMM CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000103538158 555437151 /nfs/dbraw/zinc/43/71/51/555437151.db2.gz DLYNJURBUZENLF-PJGOFDOSSA-N -1 1 534.999 6.179 40 0 KKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1)Nc1ccccc1C(F)(F)F ZINC000103765919 555473060 /nfs/dbraw/zinc/47/30/60/555473060.db2.gz CZWKBZIEWFVTGZ-UHFFFAOYSA-N -1 1 558.028 6.500 40 0 KKABMM COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)c(F)c1F ZINC000104120432 571374296 /nfs/dbraw/zinc/37/42/96/571374296.db2.gz XKASBOAJHZQTPD-UHFFFAOYSA-N -1 1 505.449 5.201 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3O[C@H]4CCCC[C@H]4c4c(OC)ccc(OC)c43)c2)cc1OC ZINC000104160752 571375702 /nfs/dbraw/zinc/37/57/02/571375702.db2.gz SPSJFOSHBLSKGG-UETOGOEVSA-N -1 1 539.650 5.668 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cc(Br)ccc4Cl)cc3[O-])oc2c(C)c1 ZINC000105310407 571395977 /nfs/dbraw/zinc/39/59/77/571395977.db2.gz SEENLFIEPPDVTM-UHFFFAOYSA-N -1 1 530.831 6.360 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3[O-])oc2c1 ZINC000105310361 571396058 /nfs/dbraw/zinc/39/60/58/571396058.db2.gz ACDJDGLSXUFLIN-UHFFFAOYSA-N -1 1 548.418 6.658 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3[O-])nc2c1 ZINC000105310640 571396077 /nfs/dbraw/zinc/39/60/77/571396077.db2.gz CLSPDGSNIOLWAO-UHFFFAOYSA-N -1 1 552.439 7.456 40 0 KKABMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1sc2cc(Cl)ccc2c1Cl ZINC000105310700 571396181 /nfs/dbraw/zinc/39/61/81/571396181.db2.gz WGUAOXHGVWBENR-UHFFFAOYSA-N -1 1 548.860 7.502 40 0 KKABMM C[C@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000222837804 571404085 /nfs/dbraw/zinc/40/40/85/571404085.db2.gz RCABOQMLQGWCFN-AWEZNQCLSA-N -1 1 570.292 5.913 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCc2cc(Br)ccc21 ZINC000222837642 571404136 /nfs/dbraw/zinc/40/41/36/571404136.db2.gz IUFKRHYNCWYCHJ-UHFFFAOYSA-N -1 1 556.265 5.525 40 0 KKABMM COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)[N-]c5ccc(Cl)cc5)cc4Cl)cc32)cc1 ZINC000222838640 571404264 /nfs/dbraw/zinc/40/42/64/571404264.db2.gz MTKBCKQMAGSOOG-UHFFFAOYSA-N -1 1 626.518 6.023 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3c4ccc(Br)cc4C[C@H]3C)cc2)cc1 ZINC000222874402 571408495 /nfs/dbraw/zinc/40/84/95/571408495.db2.gz CIYNNXVPAALSDF-GOSISDBHSA-N -1 1 513.457 5.469 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000107869089 571421546 /nfs/dbraw/zinc/42/15/46/571421546.db2.gz RJTAAXIARPGZJA-UHFFFAOYSA-N -1 1 625.794 5.750 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)cc1C ZINC000108180181 571422575 /nfs/dbraw/zinc/42/25/75/571422575.db2.gz LATYVJIWMBDXNV-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3)ccc2C)c1 ZINC000108278177 571423024 /nfs/dbraw/zinc/42/30/24/571423024.db2.gz FBHAVCBUEYHQCJ-UHFFFAOYSA-N -1 1 598.146 6.428 40 0 KKABMM CCC1(CC)C[C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c2ccccc2O1 ZINC000223058459 571426821 /nfs/dbraw/zinc/42/68/21/571426821.db2.gz UEADBEMKEKULSF-XMMPIXPASA-N -1 1 513.059 6.262 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)c(Cl)c2)cc1 ZINC000223075998 571428506 /nfs/dbraw/zinc/42/85/06/571428506.db2.gz TVFRKHJTFUYYLB-UHFFFAOYSA-N -1 1 531.084 5.845 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000113620356 571441007 /nfs/dbraw/zinc/44/10/07/571441007.db2.gz PMRDFQOENZHLBI-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1C(C)C ZINC000223301453 571457559 /nfs/dbraw/zinc/45/75/59/571457559.db2.gz FNROIGNMTCPKFX-JOCHJYFZSA-N -1 1 508.684 6.344 40 0 KKABMM O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1nn[n-]n1)c1ccccc1 ZINC000150401156 571478188 /nfs/dbraw/zinc/47/81/88/571478188.db2.gz PPIWLJYBMXPJOB-WDKGQIBQSA-N -1 1 740.725 5.632 40 0 KKABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(C(=O)OCC)cc3)c3cccc4c3c2SC4=O)cc1 ZINC000150407472 571480250 /nfs/dbraw/zinc/48/02/50/571480250.db2.gz YJZBTZCEFIQJLZ-UHFFFAOYSA-N -1 1 640.717 5.041 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000150408962 571481325 /nfs/dbraw/zinc/48/13/25/571481325.db2.gz YSPIODVYBMGEHN-UHFFFAOYSA-N -1 1 684.973 6.647 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(F)cc2)cc1 ZINC000150425385 571489683 /nfs/dbraw/zinc/48/96/83/571489683.db2.gz IMFHIBQKUYYMJU-UHFFFAOYSA-N -1 1 637.633 5.488 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000150429872 571493024 /nfs/dbraw/zinc/49/30/24/571493024.db2.gz SLUUAXJOBZOHPC-UHFFFAOYSA-N -1 1 631.003 5.937 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000150429652 571493034 /nfs/dbraw/zinc/49/30/34/571493034.db2.gz OXIAQWWMBCMFGB-QGZVFWFLSA-N -1 1 661.427 5.737 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000150434069 571494760 /nfs/dbraw/zinc/49/47/60/571494760.db2.gz WIWCHCKHDIFOFJ-UHFFFAOYSA-N -1 1 683.433 6.699 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)cc1OC ZINC000150434477 571494907 /nfs/dbraw/zinc/49/49/07/571494907.db2.gz YPIOGUKQRLTJNF-UHFFFAOYSA-N -1 1 684.114 6.254 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000150435380 571495298 /nfs/dbraw/zinc/49/52/98/571495298.db2.gz NWORDFKZQBZBDN-UHFFFAOYSA-N -1 1 641.780 5.615 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000150436167 571496077 /nfs/dbraw/zinc/49/60/77/571496077.db2.gz QJHPUHOXFZTBHA-UHFFFAOYSA-N -1 1 654.597 7.090 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000150439499 571497319 /nfs/dbraw/zinc/49/73/19/571497319.db2.gz LGKNMIZDSRSKIH-UHFFFAOYSA-N -1 1 646.212 6.095 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000150441381 571498466 /nfs/dbraw/zinc/49/84/66/571498466.db2.gz AWTXDSVXXHHMOF-UHFFFAOYSA-N -1 1 673.427 7.243 40 0 KKABMM CC(=O)c1c(C)n(S(=O)(=O)c2ccc(Br)cc2)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000150459592 571505736 /nfs/dbraw/zinc/50/57/36/571505736.db2.gz KYCMRMSOWKMHGO-UHFFFAOYSA-N -1 1 626.348 5.715 40 0 KKABMM C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000150559244 571520997 /nfs/dbraw/zinc/52/09/97/571520997.db2.gz LFQUEZXNGIVXPA-RYOLVZLPSA-N -1 1 665.042 9.130 40 0 KKABMM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(I)cc(I)c4[O-])c(=O)n31)c1ccccc1CC2 ZINC000163190059 571532512 /nfs/dbraw/zinc/53/25/12/571532512.db2.gz KVDTWTJAJIGXOH-YXDQGSNCSA-N -1 1 718.354 5.242 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3nnc(SCc4ccccc4)s3)ccc2C)cc1 ZINC000223767744 571540879 /nfs/dbraw/zinc/54/08/79/571540879.db2.gz SFCXJDZZKURBRH-UHFFFAOYSA-N -1 1 510.666 5.500 40 0 KKABMM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000197823165 571564716 /nfs/dbraw/zinc/56/47/16/571564716.db2.gz TUOAQUHJWGONEG-UHFFFAOYSA-N -1 1 676.216 7.106 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(Br)cc2)cc1 ZINC000197822399 571564720 /nfs/dbraw/zinc/56/47/20/571564720.db2.gz IJAFZHDFEKDAKB-UHFFFAOYSA-N -1 1 642.597 6.009 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000197821686 571564724 /nfs/dbraw/zinc/56/47/24/571564724.db2.gz JWMVVAOUSPMUDD-UHFFFAOYSA-N -1 1 658.198 5.917 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000197823225 571564796 /nfs/dbraw/zinc/56/47/96/571564796.db2.gz PRFSXCFAVHWNOC-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000197823921 571564922 /nfs/dbraw/zinc/56/49/22/571564922.db2.gz ILAORJYTOLWMDO-UHFFFAOYSA-N -1 1 630.542 5.093 40 0 KKABMM O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000197825051 571565022 /nfs/dbraw/zinc/56/50/22/571565022.db2.gz ZMYQMEMGVSILEA-UHFFFAOYSA-N -1 1 624.062 5.994 40 0 KKABMM O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000197825912 571565196 /nfs/dbraw/zinc/56/51/96/571565196.db2.gz LOGBOCDKDJMNHT-UHFFFAOYSA-N -1 1 702.958 6.756 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000197829088 571565426 /nfs/dbraw/zinc/56/54/26/571565426.db2.gz SPZHQZOJNBPVEM-UHFFFAOYSA-N -1 1 686.561 7.264 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(Cl)cc2)cc1 ZINC000197828333 571565438 /nfs/dbraw/zinc/56/54/38/571565438.db2.gz BUASYCOIMAWOSP-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C)cc2)cc1Br ZINC000197828458 571565489 /nfs/dbraw/zinc/56/54/89/571565489.db2.gz ABNPAOQBXOBXFF-UHFFFAOYSA-N -1 1 658.596 5.709 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000197831346 571565713 /nfs/dbraw/zinc/56/57/13/571565713.db2.gz XFOQEBYOXGUVMD-UHFFFAOYSA-N -1 1 633.670 5.657 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000197830197 571565751 /nfs/dbraw/zinc/56/57/51/571565751.db2.gz KOKWNURPLXORRE-UHFFFAOYSA-N -1 1 702.560 6.964 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000197965648 571566250 /nfs/dbraw/zinc/56/62/50/571566250.db2.gz NCNWVMBLYXEKBT-NRFANRHFSA-N -1 1 644.137 5.773 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2Cl)cc1 ZINC000198286049 571566770 /nfs/dbraw/zinc/56/67/70/571566770.db2.gz IANDJGZBYFMSKG-UHFFFAOYSA-N -1 1 634.961 6.265 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000198309922 571566906 /nfs/dbraw/zinc/56/69/06/571566906.db2.gz YLXMDNBXSPRTNQ-UHFFFAOYSA-N -1 1 666.143 6.919 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198310302 571566908 /nfs/dbraw/zinc/56/69/08/571566908.db2.gz ZCOZMSLUYZLUQV-UHFFFAOYSA-N -1 1 642.597 5.955 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198309839 571566944 /nfs/dbraw/zinc/56/69/44/571566944.db2.gz KTGCLDNIUGZJHT-UHFFFAOYSA-N -1 1 647.697 5.966 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000198310491 571566969 /nfs/dbraw/zinc/56/69/69/571566969.db2.gz NQOJPRJZBQWNBQ-UHFFFAOYSA-N -1 1 684.114 6.011 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000198311992 571567007 /nfs/dbraw/zinc/56/70/07/571567007.db2.gz SUDQQWCIUWDCSR-UHFFFAOYSA-N -1 1 632.533 5.531 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000198312566 571567203 /nfs/dbraw/zinc/56/72/03/571567203.db2.gz RBAVNTLPEZBLQO-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000198315498 571567418 /nfs/dbraw/zinc/56/74/18/571567418.db2.gz ODPAFDIGLXYRRA-UHFFFAOYSA-N -1 1 668.115 6.311 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000198315625 571567425 /nfs/dbraw/zinc/56/74/25/571567425.db2.gz IEJMYIUBOSKCGB-UHFFFAOYSA-N -1 1 654.088 6.002 40 0 KKABMM O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000198317585 571567629 /nfs/dbraw/zinc/56/76/29/571567629.db2.gz LRDQZPCPNYWYNZ-UHFFFAOYSA-N -1 1 624.955 6.282 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000198320000 571567786 /nfs/dbraw/zinc/56/77/86/571567786.db2.gz MGENJQSBSGVAPY-UHFFFAOYSA-N -1 1 663.015 6.354 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000198319527 571567866 /nfs/dbraw/zinc/56/78/66/571567866.db2.gz MSEJXJMXJZFTCE-UHFFFAOYSA-N -1 1 646.143 5.001 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000198318965 571567870 /nfs/dbraw/zinc/56/78/70/571567870.db2.gz IZUDZSMWWUEBGH-UHFFFAOYSA-N -1 1 656.079 6.441 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000198320150 571567918 /nfs/dbraw/zinc/56/79/18/571567918.db2.gz KNGCHKIMICJGSL-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)s2)cc1 ZINC000224573434 571577785 /nfs/dbraw/zinc/57/77/85/571577785.db2.gz IUCBPYMOIGQIST-UHFFFAOYSA-N -1 1 508.625 5.192 40 0 KKABMM COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)s2)cc1 ZINC000224580517 571579660 /nfs/dbraw/zinc/57/96/60/571579660.db2.gz CYAVZFHAXUHCRO-UHFFFAOYSA-N -1 1 508.625 5.192 40 0 KKABMM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000215914268 571587548 /nfs/dbraw/zinc/58/75/48/571587548.db2.gz UMFUMUFRMDUKQS-UHFFFAOYSA-N -1 1 583.868 7.338 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)c2C)cc1 ZINC000215918948 571587738 /nfs/dbraw/zinc/58/77/38/571587738.db2.gz ODLFDHDBEIAFPG-UHFFFAOYSA-N -1 1 555.700 6.906 40 0 KKABMM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(C)c(C)c4)c3)cc2)n1 ZINC000215932082 571588382 /nfs/dbraw/zinc/58/83/82/571588382.db2.gz NZWSRUOIMFUORJ-UHFFFAOYSA-N -1 1 600.122 5.218 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)c2)cc1 ZINC000215937245 571588688 /nfs/dbraw/zinc/58/86/88/571588688.db2.gz YYAKJWAMQJAYNO-UHFFFAOYSA-N -1 1 548.064 5.674 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000215947983 571588990 /nfs/dbraw/zinc/58/89/90/571588990.db2.gz RMJXBWWWPVQBSP-UHFFFAOYSA-N -1 1 532.065 6.264 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000215948301 571589024 /nfs/dbraw/zinc/58/90/24/571589024.db2.gz JEARBPUZFIJPNE-UHFFFAOYSA-N -1 1 552.483 6.609 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)c1 ZINC000215948802 571589043 /nfs/dbraw/zinc/58/90/43/571589043.db2.gz GFBDSELNQSEZKC-UHFFFAOYSA-N -1 1 620.591 5.047 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)N1CCCC1 ZINC000215950368 571589175 /nfs/dbraw/zinc/58/91/75/571589175.db2.gz HTQQAKXDJZRLHD-UHFFFAOYSA-N -1 1 535.666 5.282 40 0 KKABMM O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000215961770 571589559 /nfs/dbraw/zinc/58/95/59/571589559.db2.gz VTYYOFZVTJKNDW-UHFFFAOYSA-N -1 1 529.898 6.111 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000215980656 571590487 /nfs/dbraw/zinc/59/04/87/571590487.db2.gz DAGDDRBLPVGAKM-UHFFFAOYSA-N -1 1 602.056 5.338 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(I)cc3)c(Cl)c2)cc1 ZINC000215983317 571590707 /nfs/dbraw/zinc/59/07/07/571590707.db2.gz VGFZTEPJCXUGCW-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000215998132 571591262 /nfs/dbraw/zinc/59/12/62/571591262.db2.gz MGZVBAMKQSTDQM-UHFFFAOYSA-N -1 1 546.092 5.688 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000216355309 571595206 /nfs/dbraw/zinc/59/52/06/571595206.db2.gz IKPRECXRHJNUII-UHFFFAOYSA-N -1 1 565.617 6.711 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)c1 ZINC000216356065 571595248 /nfs/dbraw/zinc/59/52/48/571595248.db2.gz PYMMPSYFAZJEOM-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000216409756 571595890 /nfs/dbraw/zinc/59/58/90/571595890.db2.gz JOBMULCMJMQWLI-UHFFFAOYSA-N -1 1 562.489 6.065 40 0 KKABMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000224986348 571636483 /nfs/dbraw/zinc/63/64/83/571636483.db2.gz YBRJOMYKJOWPIU-UHFFFAOYSA-N -1 1 547.382 6.609 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c(I)c1 ZINC000225017575 571639288 /nfs/dbraw/zinc/63/92/88/571639288.db2.gz AECMUGNVZYJNFD-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM CC(C)n1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)cc2sc1=O ZINC000225184104 571655583 /nfs/dbraw/zinc/65/55/83/571655583.db2.gz QXMUSUKUMDUHMC-UHFFFAOYSA-N -1 1 546.095 5.523 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(C)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225477535 571847715 /nfs/dbraw/zinc/84/77/15/571847715.db2.gz QBKVGMDCMLZRQB-IZZNHLLZSA-N -1 1 566.730 5.691 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478239 571848505 /nfs/dbraw/zinc/84/85/05/571848505.db2.gz CEDZJNYXMFUUAA-SVBPBHIXSA-N -1 1 553.754 5.562 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(F)(F)F)c2)cc1[N-]S(C)(=O)=O ZINC000225486259 571856973 /nfs/dbraw/zinc/85/69/73/571856973.db2.gz LOFQFYNMHYIHST-LOSJGSFVSA-N -1 1 587.649 5.448 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Br)c2)cc1[N-]S(C)(=O)=O ZINC000225486873 571857398 /nfs/dbraw/zinc/85/73/98/571857398.db2.gz DBCVGQBQUXJYIA-LOSJGSFVSA-N -1 1 598.548 5.192 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000225488552 571859347 /nfs/dbraw/zinc/85/93/47/571859347.db2.gz INIVEONKWOQHTR-CLJLJLNGSA-N -1 1 568.124 5.391 40 0 KKABMM CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)cc1 ZINC000225490739 571860954 /nfs/dbraw/zinc/86/09/54/571860954.db2.gz AEEPHPZIGBULQW-RRPNLBNLSA-N -1 1 564.689 5.298 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N-]S(C)(=O)=O ZINC000225491667 571861443 /nfs/dbraw/zinc/86/14/43/571861443.db2.gz ZHUIXXVSGAAEMB-JWQCQUIFSA-N -1 1 589.526 6.206 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N-]S(C)(=O)=O ZINC000225492958 571863046 /nfs/dbraw/zinc/86/30/46/571863046.db2.gz SJMLQYHXBRYAQM-CLJLJLNGSA-N -1 1 569.108 5.861 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)ccc2n1Cc1ccccc1Cl ZINC000225801702 572071448 /nfs/dbraw/zinc/07/14/48/572071448.db2.gz USDPYPILCXKUOJ-UHFFFAOYSA-N -1 1 507.036 6.233 40 0 KKABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c1C ZINC000225802322 572071602 /nfs/dbraw/zinc/07/16/02/572071602.db2.gz HQLXRVRQRJWQAT-UHFFFAOYSA-N -1 1 517.028 5.051 40 0 KKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c2ccccc2O1 ZINC000225837580 572075329 /nfs/dbraw/zinc/07/53/29/572075329.db2.gz ILRYJYBKPOEQSE-RUZDIDTESA-N -1 1 506.668 6.225 40 0 KKABMM O=C([O-])[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC1(CNC(=O)OCc2ccccc2)COC1 ZINC000306145909 572144975 /nfs/dbraw/zinc/14/49/75/572144975.db2.gz VLEAFHSCQBTLON-XIFFEERXSA-N -1 1 616.718 5.004 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408528444 572164722 /nfs/dbraw/zinc/16/47/22/572164722.db2.gz GEQIIJZTSWAGRW-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000408543873 572213736 /nfs/dbraw/zinc/21/37/36/572213736.db2.gz FQLMYCGOFMSFRL-UHFFFAOYSA-N -1 1 604.537 6.180 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)ccc2C)c1 ZINC000408544214 572214835 /nfs/dbraw/zinc/21/48/35/572214835.db2.gz AIAHXLLNNNDOMP-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)ccc2C)c1 ZINC000408544582 572215930 /nfs/dbraw/zinc/21/59/30/572215930.db2.gz HUWCWZZBNUWOEI-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1C ZINC000408545481 572219134 /nfs/dbraw/zinc/21/91/34/572219134.db2.gz RSMUVBDWIPXPCS-NRFANRHFSA-N -1 1 551.690 5.051 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000408545654 572220142 /nfs/dbraw/zinc/22/01/42/572220142.db2.gz ZBAPZHCRXNXTST-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408545653 572220289 /nfs/dbraw/zinc/22/02/89/572220289.db2.gz LYONHNHSSKSZGS-KRWDZBQOSA-N -1 1 604.072 5.570 40 0 KKABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408546051 572221419 /nfs/dbraw/zinc/22/14/19/572221419.db2.gz PVDLYWSQHOJJIJ-OAQYLSRUSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408546050 572221588 /nfs/dbraw/zinc/22/15/88/572221588.db2.gz PVDLYWSQHOJJIJ-NRFANRHFSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(F)cccc3Cl)ccc2C)c1C ZINC000408547247 572224577 /nfs/dbraw/zinc/22/45/77/572224577.db2.gz XOBPQIJULDDNGB-UHFFFAOYSA-N -1 1 521.079 5.868 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2)cc1 ZINC000408546907 572224691 /nfs/dbraw/zinc/22/46/91/572224691.db2.gz WUXMSQPTLIMHSO-UHFFFAOYSA-N -1 1 557.524 7.647 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)ccc2C)cc1 ZINC000408547430 572225789 /nfs/dbraw/zinc/22/57/89/572225789.db2.gz JKEFVCNRBOVIPD-UHFFFAOYSA-N -1 1 514.691 6.896 40 0 KKABMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000408548148 572228423 /nfs/dbraw/zinc/22/84/23/572228423.db2.gz PSVJICHQSTXLPM-UHFFFAOYSA-N -1 1 614.145 6.128 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1Br ZINC000408551851 572236961 /nfs/dbraw/zinc/23/69/61/572236961.db2.gz JHDAEFDIDMAPSH-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000408554749 572242118 /nfs/dbraw/zinc/24/21/18/572242118.db2.gz DBLPVIIEPIFOGZ-UHFFFAOYSA-N -1 1 533.477 5.654 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000408557372 572244859 /nfs/dbraw/zinc/24/48/59/572244859.db2.gz MZKQCJDUWASNHK-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408558484 572245843 /nfs/dbraw/zinc/24/58/43/572245843.db2.gz JGJDQNDCRQPQIA-UHFFFAOYSA-N -1 1 577.873 7.257 40 0 KKABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1Cl ZINC000408558954 572246389 /nfs/dbraw/zinc/24/63/89/572246389.db2.gz KSFAHNWADPGZKG-UHFFFAOYSA-N -1 1 515.802 5.474 40 0 KKABMM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408583781 572265457 /nfs/dbraw/zinc/26/54/57/572265457.db2.gz KCEIIEIMDLWGLY-UHFFFAOYSA-N -1 1 551.448 5.769 40 0 KKABMM C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408584161 572265604 /nfs/dbraw/zinc/26/56/04/572265604.db2.gz MNRBUWJYGBAWJP-QGZVFWFLSA-N -1 1 507.439 5.311 40 0 KKABMM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408589393 572267237 /nfs/dbraw/zinc/26/72/37/572267237.db2.gz HIMBLCCHWKEDLZ-UHFFFAOYSA-N -1 1 512.937 5.794 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc(Br)c1 ZINC000408589515 572267320 /nfs/dbraw/zinc/26/73/20/572267320.db2.gz IDOQSZHUJURCDM-UHFFFAOYSA-N -1 1 563.779 5.940 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Br)cc1 ZINC000408591331 572268107 /nfs/dbraw/zinc/26/81/07/572268107.db2.gz LBTMLRIDHFPJHW-UHFFFAOYSA-N -1 1 563.779 5.940 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000408591967 572268341 /nfs/dbraw/zinc/26/83/41/572268341.db2.gz MRTQOJXOQZQKJX-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000408597257 572271583 /nfs/dbraw/zinc/27/15/83/572271583.db2.gz YFLGOKFSQSKISM-UHFFFAOYSA-N -1 1 589.035 6.767 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000408600650 572272511 /nfs/dbraw/zinc/27/25/11/572272511.db2.gz BRZHHDSFIMSUTI-UHFFFAOYSA-N -1 1 504.564 5.306 40 0 KKABMM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408611438 572276527 /nfs/dbraw/zinc/27/65/27/572276527.db2.gz WZVLKKKTCWGHSR-UHFFFAOYSA-N -1 1 528.936 5.576 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)ccc21 ZINC000408615691 572278408 /nfs/dbraw/zinc/27/84/08/572278408.db2.gz CEVCCGMTPALHJZ-UHFFFAOYSA-N -1 1 511.647 6.793 40 0 KKABMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408616863 572279075 /nfs/dbraw/zinc/27/90/75/572279075.db2.gz BJVSIZHWKDXFFR-UHFFFAOYSA-N -1 1 509.052 6.853 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408618409 572280105 /nfs/dbraw/zinc/28/01/05/572280105.db2.gz GEPGGIQHTNJQAI-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2C)c1 ZINC000408621576 572281616 /nfs/dbraw/zinc/28/16/16/572281616.db2.gz SPXQWORSVPTBHC-UHFFFAOYSA-N -1 1 514.691 6.824 40 0 KKABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000408622199 572281922 /nfs/dbraw/zinc/28/19/22/572281922.db2.gz MUIDMCXQVYJVNI-UHFFFAOYSA-N -1 1 506.502 5.244 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c1)CCC2 ZINC000408630236 572285902 /nfs/dbraw/zinc/28/59/02/572285902.db2.gz PUBQEJWEFSIFHD-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM COc1cc(OC)c(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1Br ZINC000408630550 572286276 /nfs/dbraw/zinc/28/62/76/572286276.db2.gz BMEDVIOISPFLHD-IDUWFGFVSA-N -1 1 526.796 5.131 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])n1 ZINC000408630782 572286612 /nfs/dbraw/zinc/28/66/12/572286612.db2.gz COIVBJQZLOLYBO-MSXFZWOLSA-N -1 1 551.455 7.008 40 0 KKABMM CCOc1c(I)cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1I ZINC000408630765 572286648 /nfs/dbraw/zinc/28/66/48/572286648.db2.gz AWCBCDLYXYMQSS-IDUWFGFVSA-N -1 1 679.274 5.315 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000408630916 572286712 /nfs/dbraw/zinc/28/67/12/572286712.db2.gz DROJWLSOWRBTKV-QFEZKATASA-N -1 1 609.933 7.425 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)[O-])n2)c1 ZINC000408631093 572286934 /nfs/dbraw/zinc/28/69/34/572286934.db2.gz BWXPKHKSNQZJRQ-UNOMPAQXSA-N -1 1 521.580 5.327 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n1 ZINC000408631209 572287126 /nfs/dbraw/zinc/28/71/26/572287126.db2.gz GERZCYPYLGQLTA-AFPJDJCSSA-N -1 1 718.784 7.851 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)[O-])n1 ZINC000408631249 572287308 /nfs/dbraw/zinc/28/73/08/572287308.db2.gz GZTPBEGCRXEZEU-JJFYIABZSA-N -1 1 607.313 7.346 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc5c(c4)OCO5)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408631291 572287313 /nfs/dbraw/zinc/28/73/13/572287313.db2.gz DDRGZBQSVYIQTA-MRUKODCESA-N -1 1 563.588 5.023 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408631328 572287447 /nfs/dbraw/zinc/28/74/47/572287447.db2.gz DIABAZKLJKSXSK-RMORIDSASA-N -1 1 632.920 6.710 40 0 KKABMM CCOc1c(I)cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1I ZINC000408631693 572287820 /nfs/dbraw/zinc/28/78/20/572287820.db2.gz AMYVTUUKALXDFB-DHDCSXOGSA-N -1 1 653.667 5.951 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408631843 572288024 /nfs/dbraw/zinc/28/80/24/572288024.db2.gz GSKWNEFERMCKTG-WGARJPEWSA-N -1 1 595.508 7.325 40 0 KKABMM CCn1c2ccccc2c2cc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])ccc21 ZINC000408632273 572288584 /nfs/dbraw/zinc/28/85/84/572288584.db2.gz PMBQDXOBRBRCGG-QRVIBDJDSA-N -1 1 504.999 6.479 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc2c(c1)OCO2 ZINC000408632332 572288762 /nfs/dbraw/zinc/28/87/62/572288762.db2.gz DLRSEZHOBWOAIT-FMCGGJTJSA-N -1 1 537.981 5.659 40 0 KKABMM O=C([O-])C(=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632366 572288774 /nfs/dbraw/zinc/28/87/74/572288774.db2.gz DZOIDIYQVZNIHE-MTJSOVHGSA-N -1 1 532.836 7.229 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc(I)c1O ZINC000408632595 572288932 /nfs/dbraw/zinc/28/89/32/572288932.db2.gz RPVXEJMCWXJRHF-PXNMLYILSA-N -1 1 573.796 5.060 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632692 572289088 /nfs/dbraw/zinc/28/90/88/572289088.db2.gz GYRKLOKPKKHTLR-MTJSOVHGSA-N -1 1 560.832 6.824 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408632661 572289132 /nfs/dbraw/zinc/28/91/32/572289132.db2.gz GNRCNVVXNDMZLG-UCQKPKSFSA-N -1 1 525.989 6.460 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408632777 572289287 /nfs/dbraw/zinc/28/92/87/572289287.db2.gz KKYITBDXRVBOQM-NYAPKIOYSA-N -1 1 714.365 7.206 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c4cccc(C)c4[nH]c3-c3ccccc3)C(=O)[O-])n2)c1 ZINC000408632828 572289407 /nfs/dbraw/zinc/28/94/07/572289407.db2.gz KRDGMZHPQUKQRO-HAHDFKILSA-N -1 1 512.591 6.163 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccccc3)c(OC)c2)C(=O)[O-])n1 ZINC000408633538 572290164 /nfs/dbraw/zinc/29/01/64/572290164.db2.gz ZRNMWBRGXSXOLP-QRVIBDJDSA-N -1 1 523.998 5.939 40 0 KKABMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408633899 572290758 /nfs/dbraw/zinc/29/07/58/572290758.db2.gz MZSWETZNMJYXNG-CFRMEGHHSA-N -1 1 569.901 7.961 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc43)C(=O)[O-])n2)c1 ZINC000408634028 572290945 /nfs/dbraw/zinc/29/09/45/572290945.db2.gz RCQPNDQFVAQVQP-YUMHPJSZSA-N -1 1 574.058 7.092 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccccc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634045 572290947 /nfs/dbraw/zinc/29/09/47/572290947.db2.gz RIPRWONGOXJMTK-MSXFZWOLSA-N -1 1 519.579 5.294 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Br)c1OC ZINC000408634097 572290977 /nfs/dbraw/zinc/29/09/77/572290977.db2.gz OXHOMFBLAPUYCT-YBEGLDIGSA-N -1 1 510.797 5.513 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000408634154 572291069 /nfs/dbraw/zinc/29/10/69/572291069.db2.gz PRYIJHNWWAXEHL-UCQKPKSFSA-N -1 1 507.999 6.239 40 0 KKABMM O=C([O-])C(=Cc1ccc(-c2cccc(Br)c2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634414 572291363 /nfs/dbraw/zinc/29/13/63/572291363.db2.gz QXAPOCKBAJMZNJ-WQRHYEAKSA-N -1 1 502.777 6.365 40 0 KKABMM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Cl)cc(Br)c3O)C(=O)[O-])o2)c1 ZINC000408634715 572291839 /nfs/dbraw/zinc/29/18/39/572291839.db2.gz WUEJVGHLEGRNPY-UUASQNMZSA-N -1 1 513.753 5.093 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c3cccc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])n1 ZINC000408634736 572291858 /nfs/dbraw/zinc/29/18/58/572291858.db2.gz XAUBDKZPSUBZBA-HMAPJEAMSA-N -1 1 517.010 6.808 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)[O-])n2)c1 ZINC000408634904 572291971 /nfs/dbraw/zinc/29/19/71/572291971.db2.gz XURSESBKNOYLHL-NDENLUEZSA-N -1 1 517.485 5.986 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OCc4ccccc4Cl)c(I)c3)C(=O)[O-])n2)c1 ZINC000408635107 572292219 /nfs/dbraw/zinc/29/22/19/572292219.db2.gz YVWUNFAURLNCOZ-AFPJDJCSSA-N -1 1 775.790 7.148 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000408635190 572292305 /nfs/dbraw/zinc/29/23/05/572292305.db2.gz XWGMITJRFJRLEA-HAHDFKILSA-N -1 1 507.999 6.321 40 0 KKABMM O=C([O-])C(=Cc1cc(Br)c(Br)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635325 572292399 /nfs/dbraw/zinc/29/23/99/572292399.db2.gz ZHADAHVKZHAPFN-WDZFZDKYSA-N -1 1 505.575 5.461 40 0 KKABMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccc(F)cc1 ZINC000408635316 572292438 /nfs/dbraw/zinc/29/24/38/572292438.db2.gz ZEKSEBLNMUUBDH-OYKKKHCWSA-N -1 1 519.001 6.793 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cccc(Br)c1 ZINC000408635551 572292587 /nfs/dbraw/zinc/29/25/87/572292587.db2.gz DNEXNCKLTNKKCA-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408636367 572293284 /nfs/dbraw/zinc/29/32/84/572293284.db2.gz PANZRANYUZQRSH-UHFFFAOYSA-N -1 1 554.883 5.175 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408636880 572293826 /nfs/dbraw/zinc/29/38/26/572293826.db2.gz VLBAGBWVQURGBJ-UHFFFAOYSA-N -1 1 502.436 6.086 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000408637072 572294005 /nfs/dbraw/zinc/29/40/05/572294005.db2.gz WZKQBKXTEAZPAJ-UHFFFAOYSA-N -1 1 503.766 5.604 40 0 KKABMM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000408637128 572294154 /nfs/dbraw/zinc/29/41/54/572294154.db2.gz YBTZMCUTLHXLKI-UHFFFAOYSA-N -1 1 551.448 5.769 40 0 KKABMM Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408677039 572318933 /nfs/dbraw/zinc/31/89/33/572318933.db2.gz ACARUTWRVVWVHG-UHFFFAOYSA-N -1 1 604.072 5.653 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000408680633 572321258 /nfs/dbraw/zinc/32/12/58/572321258.db2.gz OMCZLPKXMMHUQP-UHFFFAOYSA-N -1 1 598.146 5.475 40 0 KKABMM CCOC(=O)COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423285 1069720298 /nfs/dbraw/zinc/72/02/98/1069720298.db2.gz BFYJTMQRFDKNPM-UHFFFAOYSA-N -1 1 568.630 5.217 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Cl)c1O ZINC000108423437 1069721281 /nfs/dbraw/zinc/72/12/81/1069721281.db2.gz FVCUJEQTRSGIJD-UHFFFAOYSA-N -1 1 516.985 5.634 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1Cl ZINC000408681510 1069726681 /nfs/dbraw/zinc/72/66/81/1069726681.db2.gz WYCQOFHBEOWZQZ-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM O=C1S/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N1CC1CCCCC1 ZINC000409134525 1069785883 /nfs/dbraw/zinc/78/58/83/1069785883.db2.gz RZOCWFYBBTVRFR-AUWJEWJLSA-N -1 1 522.202 5.376 40 0 KKABMM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(I)cc(I)c2[O-])SC1Nc1ccccc1 ZINC000408803348 1069946584 /nfs/dbraw/zinc/94/65/84/1069946584.db2.gz NVBFRIPCWKDNQK-VRUWKDGWSA-N -1 1 645.324 6.655 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2)cc1 ZINC000408920582 1070227064 /nfs/dbraw/zinc/22/70/64/1070227064.db2.gz JHHZQLFNASKQAJ-UHFFFAOYSA-N -1 1 614.543 5.392 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000408922374 1070239474 /nfs/dbraw/zinc/23/94/74/1070239474.db2.gz ZWOUZIHAVIODAE-UHFFFAOYSA-N -1 1 599.734 6.091 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cc(C)cc(C)c2)cc1 ZINC000408922668 1070239979 /nfs/dbraw/zinc/23/99/79/1070239979.db2.gz GGYCIFDFUYIIBK-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM O=C(CSCc1cccc(Br)c1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408927558 1070247557 /nfs/dbraw/zinc/24/75/57/1070247557.db2.gz XJRSTXTWGDCULO-UHFFFAOYSA-N -1 1 541.492 6.275 40 0 KKABMM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCCC6)o3)sc2c1 ZINC000408987126 1070349613 /nfs/dbraw/zinc/34/96/13/1070349613.db2.gz ALNYMHBZBOYZSC-UHFFFAOYSA-N -1 1 596.715 7.487 40 0 KKABMM COc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409000589 1070375935 /nfs/dbraw/zinc/37/59/35/1070375935.db2.gz UATABOUFMZAIRY-LFYBBSHMSA-N -1 1 551.018 5.286 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)cc2Br)n1 ZINC000409102496 1070535462 /nfs/dbraw/zinc/53/54/62/1070535462.db2.gz ALDJOFQVZDFPHK-CMYPOMNDSA-N -1 1 661.987 5.151 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1O ZINC000409369601 1070893291 /nfs/dbraw/zinc/89/32/91/1070893291.db2.gz QQWFPNSYQJNLHG-UHFFFAOYSA-N -1 1 622.463 6.384 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000408906191 1070895732 /nfs/dbraw/zinc/89/57/32/1070895732.db2.gz CYDLNPCINNSHRL-UHFFFAOYSA-N -1 1 538.694 7.326 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2C)cc1 ZINC000409412233 1070919498 /nfs/dbraw/zinc/91/94/98/1070919498.db2.gz UOQCBWJMCSJCDE-UHFFFAOYSA-N -1 1 603.644 6.176 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409410252 1070919781 /nfs/dbraw/zinc/91/97/81/1070919781.db2.gz LRZKMDDAIQQUDP-UHFFFAOYSA-N -1 1 610.035 6.213 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2C)c1 ZINC000409411579 1070921483 /nfs/dbraw/zinc/92/14/83/1070921483.db2.gz JQSPFPPHOZAKFX-UHFFFAOYSA-N -1 1 555.722 5.230 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1I ZINC000409412388 1070924856 /nfs/dbraw/zinc/92/48/56/1070924856.db2.gz VWGITNHXXLZMRA-UHFFFAOYSA-N -1 1 528.371 5.498 40 0 KKABMM CC(C)c1ccc(CCc2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncc2C(=O)[O-])cc1 ZINC000585267673 1071006848 /nfs/dbraw/zinc/00/68/48/1071006848.db2.gz SWNQYICVAZFLRW-UHFFFAOYSA-N -1 1 520.677 5.995 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cccc(Cl)c2C)cc1 ZINC000408926697 1071072038 /nfs/dbraw/zinc/07/20/38/1071072038.db2.gz WDCFJWMPFBDEFO-UHFFFAOYSA-N -1 1 634.179 6.745 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)cc2)c1 ZINC000408926803 1071071347 /nfs/dbraw/zinc/07/13/47/1071071347.db2.gz QZBZNGISOWJFGP-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408925081 1071079542 /nfs/dbraw/zinc/07/95/42/1071079542.db2.gz ITFINALONQCDPZ-UHFFFAOYSA-N -1 1 619.643 5.349 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000408923822 1071085867 /nfs/dbraw/zinc/08/58/67/1071085867.db2.gz GYKVMHHTQRSNQD-UHFFFAOYSA-N -1 1 553.503 6.795 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(Cl)cc2)cc1 ZINC000408924263 1071083829 /nfs/dbraw/zinc/08/38/29/1071083829.db2.gz FJWMYIDONKHWCC-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccccc2C)cc1 ZINC000408923323 1071087753 /nfs/dbraw/zinc/08/77/53/1071087753.db2.gz BPHZIKNOBPGJFX-UHFFFAOYSA-N -1 1 599.734 6.091 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000408921135 1071096568 /nfs/dbraw/zinc/09/65/68/1071096568.db2.gz SVWIWNLNFVCLMU-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408920591 1071103511 /nfs/dbraw/zinc/10/35/11/1071103511.db2.gz JRLOVVSFTIAIKL-UHFFFAOYSA-N -1 1 740.531 7.974 40 0 KKABMM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408920629 1071104149 /nfs/dbraw/zinc/10/41/49/1071104149.db2.gz KVSKWQBFHXAKSG-UHFFFAOYSA-N -1 1 549.423 6.685 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000408920255 1071106463 /nfs/dbraw/zinc/10/64/63/1071106463.db2.gz DFMIQFZEPWFFIG-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198318553 1071210409 /nfs/dbraw/zinc/21/04/09/1071210409.db2.gz LJCVBLGXCTWEPK-UHFFFAOYSA-N -1 1 658.596 5.791 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000408682323 1071370449 /nfs/dbraw/zinc/37/04/49/1071370449.db2.gz XFAONJMRFFIJDD-UHFFFAOYSA-N -1 1 586.066 5.403 40 0 KKABMM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000408681006 1071376581 /nfs/dbraw/zinc/37/65/81/1071376581.db2.gz VOZUWJBNGPJRPR-KRWDZBQOSA-N -1 1 503.418 5.273 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000408695572 1071383767 /nfs/dbraw/zinc/38/37/67/1071383767.db2.gz RJCWHNSSISEUGY-UHFFFAOYSA-N -1 1 586.066 5.403 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693387 1071391915 /nfs/dbraw/zinc/39/19/15/1071391915.db2.gz RMYYZJNBOXRFOG-UHFFFAOYSA-N -1 1 510.681 5.805 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000408694134 1071389251 /nfs/dbraw/zinc/38/92/51/1071389251.db2.gz CHGRZTWDAYMSSI-UHFFFAOYSA-N -1 1 626.982 5.084 40 0 KKABMM CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408693874 1071390223 /nfs/dbraw/zinc/39/02/23/1071390223.db2.gz AEZNBDBHTQCIMD-UHFFFAOYSA-N -1 1 529.005 6.912 40 0 KKABMM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408704609 1071438434 /nfs/dbraw/zinc/43/84/34/1071438434.db2.gz QLWYHHZMALNQQK-UHFFFAOYSA-N -1 1 600.516 5.331 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)cc1Cl ZINC000408704271 1071439126 /nfs/dbraw/zinc/43/91/26/1071439126.db2.gz ZNPVKCAOMNBGRE-UHFFFAOYSA-N -1 1 562.113 5.185 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000408702299 1071448710 /nfs/dbraw/zinc/44/87/10/1071448710.db2.gz AYFUHIYFHRXOLQ-SSEXGKCCSA-N -1 1 592.142 6.476 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)cc2)c1 ZINC000408701981 1071449351 /nfs/dbraw/zinc/44/93/51/1071449351.db2.gz IOQMNGUPPNIIPW-UHFFFAOYSA-N -1 1 562.113 5.266 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000408701959 1071449532 /nfs/dbraw/zinc/44/95/32/1071449532.db2.gz IEBAUBWLLGIPSG-UHFFFAOYSA-N -1 1 568.504 5.221 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCOCC1 ZINC000408715015 1071471593 /nfs/dbraw/zinc/47/15/93/1071471593.db2.gz WDVGKICMNYJLQH-UHFFFAOYSA-N -1 1 650.122 5.155 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408715038 1071471834 /nfs/dbraw/zinc/47/18/34/1071471834.db2.gz YITFVXZGTFOELG-UHFFFAOYSA-N -1 1 613.705 5.655 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCC1 ZINC000408714743 1071474416 /nfs/dbraw/zinc/47/44/16/1071474416.db2.gz MVEKXBDQCDIRCH-UHFFFAOYSA-N -1 1 580.153 5.208 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000408714566 1071475233 /nfs/dbraw/zinc/47/52/33/1071475233.db2.gz FKFTYNVSKOMAQL-UHFFFAOYSA-N -1 1 614.598 5.943 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714607 1071476078 /nfs/dbraw/zinc/47/60/78/1071476078.db2.gz JXKWENGCJSADIC-UHFFFAOYSA-N -1 1 648.150 6.308 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2)S(C)(=O)=O)c1 ZINC000408712363 1071484970 /nfs/dbraw/zinc/48/49/70/1071484970.db2.gz RCPMYALNFSIJCV-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000408712374 1071484995 /nfs/dbraw/zinc/48/49/95/1071484995.db2.gz RZWRTYRKJZYZGK-INIZCTEOSA-N -1 1 600.944 5.005 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)c2)cc1 ZINC000408712410 1071485687 /nfs/dbraw/zinc/48/56/87/1071485687.db2.gz YYDULQKAAHILKL-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712285 1071489300 /nfs/dbraw/zinc/48/93/00/1071489300.db2.gz HKVBGDQSJJUPKV-UHFFFAOYSA-N -1 1 600.516 5.611 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1OC ZINC000408712295 1071489435 /nfs/dbraw/zinc/48/94/35/1071489435.db2.gz IEKJKXVDZDJLNG-UHFFFAOYSA-N -1 1 573.671 5.038 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)c2C)cc1 ZINC000408712173 1071487017 /nfs/dbraw/zinc/48/70/17/1071487017.db2.gz LZCJBNLNGIKHLL-UHFFFAOYSA-N -1 1 585.707 6.311 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2C)cc1 ZINC000408711464 1071493447 /nfs/dbraw/zinc/49/34/47/1071493447.db2.gz ZIQQFUDTLDKZPS-UHFFFAOYSA-N -1 1 603.644 6.176 40 0 KKABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000408711520 1071494840 /nfs/dbraw/zinc/49/48/40/1071494840.db2.gz RSKMAUQFWDNDJW-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4c(Cl)cccc4Cl)S(C)(=O)=O)cc3)cc2)c1 ZINC000408711554 1071495701 /nfs/dbraw/zinc/49/57/01/1071495701.db2.gz XDHIDEWROFGERS-UHFFFAOYSA-N -1 1 632.591 6.630 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000408711382 1071498929 /nfs/dbraw/zinc/49/89/29/1071498929.db2.gz QDWUNVGUKZPXOC-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408711376 1071498989 /nfs/dbraw/zinc/49/89/89/1071498989.db2.gz PFMIPHUKGUZXOE-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)cc1 ZINC000408711147 1071499713 /nfs/dbraw/zinc/49/97/13/1071499713.db2.gz UGZOMJBSSOHVKS-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cccc(Cl)c4)S(C)(=O)=O)cc3)cc2)c1 ZINC000408711244 1071502418 /nfs/dbraw/zinc/50/24/18/1071502418.db2.gz LSVVWZXSMOAEEJ-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711251 1071502710 /nfs/dbraw/zinc/50/27/10/1071502710.db2.gz MGGZIUHJSLSRSO-UHFFFAOYSA-N -1 1 600.546 5.296 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)S(C)(=O)=O)c1 ZINC000408711345 1071497883 /nfs/dbraw/zinc/49/78/83/1071497883.db2.gz KMDFEXRGHAIAFY-UHFFFAOYSA-N -1 1 652.116 6.687 40 0 KKABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c2ccccc21 ZINC000408722492 1071533845 /nfs/dbraw/zinc/53/38/45/1071533845.db2.gz USROUIFPSVBMSQ-UHFFFAOYSA-N -1 1 507.365 5.204 40 0 KKABMM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c([O-])c(Br)c4Br)c(=O)n32)c(OC)c1 ZINC000408978522 1071547984 /nfs/dbraw/zinc/54/79/84/1071547984.db2.gz MQMHLORLBNRJLU-UMMPJKARSA-N -1 1 715.420 5.130 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1c(C)cc(C)cc1C ZINC000408989709 1071594919 /nfs/dbraw/zinc/59/49/19/1071594919.db2.gz LODUYXAEDHFPIK-UHFFFAOYSA-N -1 1 502.680 7.626 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408999083 1071655702 /nfs/dbraw/zinc/65/57/02/1071655702.db2.gz JYYLNYSJLXRMEK-ZPVURNRZSA-N -1 1 603.538 5.527 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000409037595 1071820610 /nfs/dbraw/zinc/82/06/10/1071820610.db2.gz SYEDQLTUIYVZOH-BJJGPXNVSA-N -1 1 673.356 5.204 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409061835 1072026483 /nfs/dbraw/zinc/02/64/83/1072026483.db2.gz ITPUNUIMVKTAPA-QYAMMSNYSA-N -1 1 721.798 5.662 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409060664 1072032406 /nfs/dbraw/zinc/03/24/06/1072032406.db2.gz SLMUHACDBNBGBY-VCDQAHEJSA-N -1 1 796.275 5.779 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409060663 1072032423 /nfs/dbraw/zinc/03/24/23/1072032423.db2.gz SLMUHACDBNBGBY-GOWBIRFASA-N -1 1 796.275 5.779 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409060625 1072033824 /nfs/dbraw/zinc/03/38/24/1072033824.db2.gz VOSPYYSIXSBVGR-IBYCJETLSA-N -1 1 731.406 5.407 40 0 KKABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409059774 1072039355 /nfs/dbraw/zinc/03/93/55/1072039355.db2.gz OGTIHSFQSMHEMS-WXXWBPKISA-N -1 1 778.257 5.041 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409087030 1072160088 /nfs/dbraw/zinc/16/00/88/1072160088.db2.gz FUCHUKUVSWRYFQ-AIYGHVSQSA-N -1 1 784.508 6.017 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409095408 1072239589 /nfs/dbraw/zinc/23/95/89/1072239589.db2.gz HNISPBGEBWHHGB-QTQKINJDSA-N -1 1 687.987 5.229 40 0 KKABMM CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000409105997 1072346573 /nfs/dbraw/zinc/34/65/73/1072346573.db2.gz LQXZHMRJXKJBSP-WUXMJOGZSA-N -1 1 516.573 5.067 40 0 KKABMM COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n21 ZINC000409102951 1072363854 /nfs/dbraw/zinc/36/38/54/1072363854.db2.gz BYQXUCBJSZQSGO-HWMPQDOQSA-N -1 1 692.013 5.160 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)cc2Br)n1 ZINC000409102497 1072366105 /nfs/dbraw/zinc/36/61/05/1072366105.db2.gz ALDJOFQVZDFPHK-ZVYKEMNCSA-N -1 1 661.987 5.151 40 0 KKABMM COc1cc(Cl)c(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1OC ZINC000409372434 1072645577 /nfs/dbraw/zinc/64/55/77/1072645577.db2.gz LSMSKKOVYYONLP-UHFFFAOYSA-N -1 1 531.012 6.346 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2OCc2ccccc2)cc1 ZINC000409370922 1072651216 /nfs/dbraw/zinc/65/12/16/1072651216.db2.gz DSGJXQWKSDPQHL-UHFFFAOYSA-N -1 1 542.639 7.254 40 0 KKABMM CCOC(=O)c1ccc(-c2ccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)o2)cc1 ZINC000409369692 1072657985 /nfs/dbraw/zinc/65/79/85/1072657985.db2.gz VWISJJZXEXBNLE-UHFFFAOYSA-N -1 1 574.637 7.112 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3ccc(F)cc3)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369220 1072659678 /nfs/dbraw/zinc/65/96/78/1072659678.db2.gz IEAQIPHMXKALME-UHFFFAOYSA-N -1 1 583.667 7.817 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(Br)cc2)cc1 ZINC000409369039 1072661049 /nfs/dbraw/zinc/66/10/49/1072661049.db2.gz YTOQBSZPYIHGCZ-UHFFFAOYSA-N -1 1 515.411 6.438 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc3c(cc2Br)OCO3)cc1 ZINC000409368937 1072661373 /nfs/dbraw/zinc/66/13/73/1072661373.db2.gz SXSSHVPWQSPCDY-UHFFFAOYSA-N -1 1 559.420 6.166 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000409368604 1072663698 /nfs/dbraw/zinc/66/36/98/1072663698.db2.gz DQDMNJIACBOOJT-UHFFFAOYSA-N -1 1 651.561 8.025 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409368213 1072666008 /nfs/dbraw/zinc/66/60/08/1072666008.db2.gz PONUEHJMSHYMAP-UHFFFAOYSA-N -1 1 720.451 9.332 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000409368015 1072666730 /nfs/dbraw/zinc/66/67/30/1072666730.db2.gz PRUPTQYFUWKLBZ-UHFFFAOYSA-N -1 1 592.699 8.407 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(Br)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409367875 1072667833 /nfs/dbraw/zinc/66/78/33/1072667833.db2.gz IVTGUPHIECQCII-UHFFFAOYSA-N -1 1 505.372 6.031 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)c1 ZINC000409177068 1072708485 /nfs/dbraw/zinc/70/84/85/1072708485.db2.gz CASSEAWYBZGGKR-WJOKGBTCSA-N -1 1 571.724 5.865 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cccc(Cl)c2)cc1 ZINC000409172467 1072734044 /nfs/dbraw/zinc/73/40/44/1072734044.db2.gz JDKNBCFQFPKJRW-UHFFFAOYSA-N -1 1 664.987 5.746 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1)S(C)(=O)=O ZINC000409169251 1072751617 /nfs/dbraw/zinc/75/16/17/1072751617.db2.gz WETCHDZXRPOXIR-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(F)cc2)cc1OC ZINC000409168257 1072755269 /nfs/dbraw/zinc/75/52/69/1072755269.db2.gz PIWGGUUJPJAYFP-UHFFFAOYSA-N -1 1 702.104 6.150 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)ccc2Cl)c1C ZINC000409412633 1072787075 /nfs/dbraw/zinc/78/70/75/1072787075.db2.gz YUUUGSKWXRZDLJ-UHFFFAOYSA-N -1 1 577.109 5.267 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409412436 1072787730 /nfs/dbraw/zinc/78/77/30/1072787730.db2.gz WTMQLSMBOPSNAG-UHFFFAOYSA-N -1 1 641.771 6.731 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409412109 1072789865 /nfs/dbraw/zinc/78/98/65/1072789865.db2.gz RISCTGYGVYXBQE-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(F)cc2)cc1 ZINC000409411949 1072791055 /nfs/dbraw/zinc/79/10/55/1072791055.db2.gz ODQDAERGVNPDRW-UHFFFAOYSA-N -1 1 672.078 6.141 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000409182040 1072793741 /nfs/dbraw/zinc/79/37/41/1072793741.db2.gz IAUKLFLJGNLNPD-UHFFFAOYSA-N -1 1 646.118 5.194 40 0 KKABMM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000409411410 1072795652 /nfs/dbraw/zinc/79/56/52/1072795652.db2.gz WJJZDUIWSXSQEA-UHFFFAOYSA-N -1 1 543.867 5.914 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000409411089 1072798372 /nfs/dbraw/zinc/79/83/72/1072798372.db2.gz UJWVHDAPGIFSNX-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)ccc2C)c1C ZINC000409410845 1072801721 /nfs/dbraw/zinc/80/17/21/1072801721.db2.gz RCIKPSGDLVFHHW-UHFFFAOYSA-N -1 1 530.715 7.266 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000409410744 1072802533 /nfs/dbraw/zinc/80/25/33/1072802533.db2.gz PGDAZBDOSQKVPI-UHFFFAOYSA-N -1 1 662.559 5.622 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)ccc2C)c(C)c1 ZINC000409410546 1072803837 /nfs/dbraw/zinc/80/38/37/1072803837.db2.gz NVCCUBHDNDJVCM-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1C ZINC000409409450 1072809875 /nfs/dbraw/zinc/80/98/75/1072809875.db2.gz PAYTWRVBLBJEEO-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000409409161 1072811433 /nfs/dbraw/zinc/81/14/33/1072811433.db2.gz NLZKBVVRGFHVCX-UHFFFAOYSA-N -1 1 619.643 5.592 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)ccc1C ZINC000409408988 1072813818 /nfs/dbraw/zinc/81/38/18/1072813818.db2.gz FNPNZJWFWQVBED-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409407775 1072819683 /nfs/dbraw/zinc/81/96/83/1072819683.db2.gz HNXQRNXCJKEBLQ-UHFFFAOYSA-N -1 1 500.951 6.134 40 0 KKABMM CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000409216344 1072946599 /nfs/dbraw/zinc/94/65/99/1072946599.db2.gz KAUYUXPMPLWCOO-NTUHNPAUSA-N -1 1 533.625 6.210 40 0 KKABMM COc1cc(C=O)ccc1OCc1cccc(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)cc2OC)c1 ZINC000409257452 1073252519 /nfs/dbraw/zinc/25/25/19/1073252519.db2.gz OYKFXWADWUTQTA-UHFFFAOYSA-N -1 1 582.678 6.930 40 0 KKABMM CCn1c(S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408635304 195484283 /nfs/dbraw/zinc/48/42/83/195484283.db2.gz YWOUTZWGXCGYKN-NVNXTCNLSA-N -1 1 515.216 5.958 40 0 KKABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000001328937 551644376 /nfs/dbraw/zinc/64/43/76/551644376.db2.gz NPOQVSTWDXBRNV-UHFFFAOYSA-N -1 1 534.541 5.287 40 0 KKABMM COc1ccc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000006088913 552530989 /nfs/dbraw/zinc/53/09/89/552530989.db2.gz KFRVYXIJZGNZBC-UHFFFAOYSA-N -1 1 615.737 5.792 40 0 KKABMM COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c(Br)c(Br)c1[O-] ZINC000008452742 553064451 /nfs/dbraw/zinc/06/44/51/553064451.db2.gz OCOCXNMNJIGKGM-JOCHJYFZSA-N -1 1 602.308 6.573 40 0 KKABMM COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c(Br)c(Br)c1[O-] ZINC000008452743 553064482 /nfs/dbraw/zinc/06/44/82/553064482.db2.gz OCOCXNMNJIGKGM-QFIPXVFZSA-N -1 1 602.308 6.573 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810545 553148564 /nfs/dbraw/zinc/14/85/64/553148564.db2.gz VIVIVCUPUGZSGL-UHFFFAOYSA-N -1 1 508.185 6.492 40 0 KKABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810568 553148788 /nfs/dbraw/zinc/14/87/88/553148788.db2.gz ZRHARLHTPDPDSY-UHFFFAOYSA-N -1 1 511.358 5.362 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000008815801 553151624 /nfs/dbraw/zinc/15/16/24/553151624.db2.gz HJVYIXHRGBHJLZ-UHFFFAOYSA-N -1 1 505.983 5.201 40 0 KKABMM COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)c(F)c1F ZINC000008833255 553160084 /nfs/dbraw/zinc/16/00/84/553160084.db2.gz RBWXISMSADTMCR-UHFFFAOYSA-N -1 1 505.449 5.201 40 0 KKABMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1cccc2c(Cl)cccc12 ZINC000008835156 553161431 /nfs/dbraw/zinc/16/14/31/553161431.db2.gz LPSLPXSOMZHJIN-UHFFFAOYSA-N -1 1 508.386 6.787 40 0 KKABMM O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000010112640 553328770 /nfs/dbraw/zinc/32/87/70/553328770.db2.gz OBUVEMQIJSMYPR-UHFFFAOYSA-N -1 1 509.052 6.685 40 0 KKABMM Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314694 553332992 /nfs/dbraw/zinc/33/29/92/553332992.db2.gz VLGCFBFTXAXDQY-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010330592 553334061 /nfs/dbraw/zinc/33/40/61/553334061.db2.gz MJYIJDSVBGINOT-NRFANRHFSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000010334938 553334435 /nfs/dbraw/zinc/33/44/35/553334435.db2.gz QINBGAOYLFCSOZ-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010358033 553335174 /nfs/dbraw/zinc/33/51/74/553335174.db2.gz NQPWPDLXUAYITL-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2C)cc1 ZINC000013682010 553484770 /nfs/dbraw/zinc/48/47/70/553484770.db2.gz ZUCNJGMHNSNNEW-UHFFFAOYSA-N -1 1 505.640 5.373 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)c1 ZINC000014153307 553503257 /nfs/dbraw/zinc/50/32/57/553503257.db2.gz UECBQWCBYGJJBA-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c1)CCCC2 ZINC000014153842 553503788 /nfs/dbraw/zinc/50/37/88/553503788.db2.gz XCBZOSURSBFPIC-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(F)cccc3Cl)ccc2C)cc1 ZINC000014153823 553503798 /nfs/dbraw/zinc/50/37/98/553503798.db2.gz LLZIWSHQIMUGQG-UHFFFAOYSA-N -1 1 507.052 5.560 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)cc1C ZINC000014154661 553504341 /nfs/dbraw/zinc/50/43/41/553504341.db2.gz ULJQZTAXVAVMET-UHFFFAOYSA-N -1 1 507.837 6.081 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000014155163 553504939 /nfs/dbraw/zinc/50/49/39/553504939.db2.gz BYDUCSNJMKTGRY-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)c1C ZINC000014155703 553505385 /nfs/dbraw/zinc/50/53/85/553505385.db2.gz UCRRFYAEPWDSOP-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)c(C)c2C ZINC000016807678 553583473 /nfs/dbraw/zinc/58/34/73/553583473.db2.gz PZTRAKRCCIECPM-UHFFFAOYSA-N -1 1 511.043 6.495 40 0 KKABMM CCCCOc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018176906 553607197 /nfs/dbraw/zinc/60/71/97/553607197.db2.gz JMXJJWRHEJZENI-GSDHBNRESA-N -1 1 506.986 5.579 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCCc3ccc(OC(C)C)cc3)c2)cc1 ZINC000019933698 553635811 /nfs/dbraw/zinc/63/58/11/553635811.db2.gz SOUIYFKOLHNCGO-UHFFFAOYSA-N -1 1 501.048 5.599 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)c(Cl)c2)cc1 ZINC000020452228 553651668 /nfs/dbraw/zinc/65/16/68/553651668.db2.gz CRRWAWTUGQWMLH-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020456311 553653275 /nfs/dbraw/zinc/65/32/75/553653275.db2.gz ZPIFZIZQQFFSHN-UHFFFAOYSA-N -1 1 512.031 5.409 40 0 KKABMM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)ccc1Cl ZINC000020456752 553653532 /nfs/dbraw/zinc/65/35/32/553653532.db2.gz PBIKWFLMCBXVPM-UHFFFAOYSA-N -1 1 507.395 5.532 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000020459552 553654654 /nfs/dbraw/zinc/65/46/54/553654654.db2.gz FRAXKGRFZXLJPN-OAHLLOKOSA-N -1 1 510.559 5.634 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000020461738 553656134 /nfs/dbraw/zinc/65/61/34/553656134.db2.gz PEOPLHZRSUMDGX-UHFFFAOYSA-N -1 1 508.621 5.697 40 0 KKABMM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000020023335 553662778 /nfs/dbraw/zinc/66/27/78/553662778.db2.gz XFBJQWQBHNUPFJ-OAHLLOKOSA-N -1 1 509.411 5.059 40 0 KKABMM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000020023339 553662814 /nfs/dbraw/zinc/66/28/14/553662814.db2.gz XFBJQWQBHNUPFJ-HNNXBMFYSA-N -1 1 509.411 5.059 40 0 KKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020491103 553664082 /nfs/dbraw/zinc/66/40/82/553664082.db2.gz HJSNNJRREBECLO-SANMLTNESA-N -1 1 509.027 6.399 40 0 KKABMM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1OCC ZINC000020492261 553665538 /nfs/dbraw/zinc/66/55/38/553665538.db2.gz KFMJBWGGEKLKAA-KRWDZBQOSA-N -1 1 503.020 5.429 40 0 KKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020039532 553668610 /nfs/dbraw/zinc/66/86/10/553668610.db2.gz KFPQPYNAOZPVSZ-QFIPXVFZSA-N -1 1 507.439 6.207 40 0 KKABMM O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020042792 553669141 /nfs/dbraw/zinc/66/91/41/553669141.db2.gz ZEHSXBDPIALLJF-UHFFFAOYSA-N -1 1 512.031 5.456 40 0 KKABMM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000020060831 553673000 /nfs/dbraw/zinc/67/30/00/553673000.db2.gz OLBVRNHOCQCAPN-UHFFFAOYSA-N -1 1 514.978 6.032 40 0 KKABMM O=C(NCCSCc1c(F)cccc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020107497 553690526 /nfs/dbraw/zinc/69/05/26/553690526.db2.gz VZSKYSLFHNLNTO-UHFFFAOYSA-N -1 1 513.443 5.597 40 0 KKABMM CCOC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1 ZINC000094313243 553697195 /nfs/dbraw/zinc/69/71/95/553697195.db2.gz LSSGNEFHGVQOPA-AWEZNQCLSA-N -1 1 804.926 5.036 40 0 in-vitro KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767357 553697761 /nfs/dbraw/zinc/69/77/61/553697761.db2.gz ORUANEHITKCVEA-UHFFFAOYSA-N -1 1 527.042 5.691 40 0 KKABMM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021305957 553709469 /nfs/dbraw/zinc/70/94/69/553709469.db2.gz CTISNPDOUHJFDV-AWNIVKPZSA-N -1 1 503.451 6.744 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000022111216 553726808 /nfs/dbraw/zinc/72/68/08/553726808.db2.gz UKXVYNPHFNIDHH-UHFFFAOYSA-N -1 1 500.983 5.740 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C(=O)N1CCCC1 ZINC000026114879 553816139 /nfs/dbraw/zinc/81/61/39/553816139.db2.gz TZRLVJOUFQILPO-UHFFFAOYSA-N -1 1 512.722 6.046 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(Cl)c2)cc1 ZINC000030758684 553857208 /nfs/dbraw/zinc/85/72/08/553857208.db2.gz MZAOPPHOBMDOTO-UHFFFAOYSA-N -1 1 505.039 6.292 40 0 KKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000030850896 553857993 /nfs/dbraw/zinc/85/79/93/553857993.db2.gz QZMUDXFNPIPACZ-INIZCTEOSA-N -1 1 503.418 5.218 40 0 KKABMM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000030850900 553858008 /nfs/dbraw/zinc/85/80/08/553858008.db2.gz QZMUDXFNPIPACZ-MRXNPFEDSA-N -1 1 503.418 5.218 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000030854759 553858275 /nfs/dbraw/zinc/85/82/75/553858275.db2.gz RPICGDLLEPKCDC-INIZCTEOSA-N -1 1 521.060 5.586 40 0 KKABMM CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)[N-][C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000097977001 553973697 /nfs/dbraw/zinc/97/36/97/553973697.db2.gz BLUIZLPURCWKDQ-PELMWDNLSA-N -1 1 533.032 7.174 40 0 KKABMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C3C(=Cc4ccc(OC)cc4)CCC[C@H]3[C@@H]2c2ccc(OC)cc2)n1 ZINC000097979374 553978748 /nfs/dbraw/zinc/97/87/48/553978748.db2.gz KWXPAEFDRPNJAI-DETTUAOUSA-N -1 1 558.704 5.655 40 0 KKABMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 ZINC000097984425 554016465 /nfs/dbraw/zinc/01/64/65/554016465.db2.gz BQWHNOAIHYJWSK-WABCOUEQSA-N -1 1 739.917 9.103 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000098046401 554138684 /nfs/dbraw/zinc/13/86/84/554138684.db2.gz JFOFSQDNWQSTIE-LQWHRVPQSA-N -1 1 543.723 5.466 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2cccc(C)c2)cc1 ZINC000100025642 554183651 /nfs/dbraw/zinc/18/36/51/554183651.db2.gz AUMKGANOKBTMJP-UHFFFAOYSA-N -1 1 570.649 6.794 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1Cl ZINC000100093637 554213978 /nfs/dbraw/zinc/21/39/78/554213978.db2.gz WDEBFDMDZSOOJM-UHFFFAOYSA-N -1 1 519.859 5.698 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)cc1Cl ZINC000100096610 554217897 /nfs/dbraw/zinc/21/78/97/554217897.db2.gz NUNZUGAUWQNUNK-UHFFFAOYSA-N -1 1 576.121 5.588 40 0 KKABMM Cc1ccc(C)c(C(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000036633839 554230104 /nfs/dbraw/zinc/23/01/04/554230104.db2.gz VJPYDPKQMAASON-AOYPEHQESA-N -1 1 502.039 6.379 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(Cl)c1 ZINC000038755380 554276386 /nfs/dbraw/zinc/27/63/86/554276386.db2.gz XEULIMPQSGFJDX-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044842092 554304157 /nfs/dbraw/zinc/30/41/57/554304157.db2.gz MIMNYBDIPYNNNY-UHFFFAOYSA-N -1 1 512.031 5.456 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)c1 ZINC000044849605 554304930 /nfs/dbraw/zinc/30/49/30/554304930.db2.gz IMHJGJYXYVPQCO-UHFFFAOYSA-N -1 1 511.647 5.919 40 0 KKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000044884808 554307936 /nfs/dbraw/zinc/30/79/36/554307936.db2.gz KPUVKIOKXPWRJA-QFIPXVFZSA-N -1 1 506.546 5.919 40 0 KKABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OC ZINC000044886472 554308060 /nfs/dbraw/zinc/30/80/60/554308060.db2.gz ANMYTZHIQOYRQM-UHFFFAOYSA-N -1 1 509.411 5.383 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccc(OC(C)C)cc3)c(Cl)c2)cc1 ZINC000044901306 554308691 /nfs/dbraw/zinc/30/86/91/554308691.db2.gz CVKLNSUYDOHUJB-UHFFFAOYSA-N -1 1 501.048 5.599 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1OC ZINC000044900437 554308825 /nfs/dbraw/zinc/30/88/25/554308825.db2.gz AEVYKIZVRXQMCG-INIZCTEOSA-N -1 1 521.060 5.586 40 0 KKABMM O=C(Nc1ccc(Br)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044946606 554310378 /nfs/dbraw/zinc/31/03/78/554310378.db2.gz KBQCXZILDIDGQB-UHFFFAOYSA-N -1 1 500.201 5.809 40 0 KKABMM CC[C@@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000100426606 554388715 /nfs/dbraw/zinc/38/87/15/554388715.db2.gz MSAZXDIFZLFFSS-PYBSCVBRSA-N -1 1 598.696 7.296 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3[O-])oc2c(C)c1 ZINC000059331527 554389145 /nfs/dbraw/zinc/38/91/45/554389145.db2.gz KDWLHUWTABMWJT-UHFFFAOYSA-N -1 1 517.994 6.857 40 0 KKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000059497909 554399273 /nfs/dbraw/zinc/39/92/73/554399273.db2.gz KMHSNPZOQFXQLC-UHFFFAOYSA-N -1 1 516.669 6.739 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059691234 554425476 /nfs/dbraw/zinc/42/54/76/554425476.db2.gz CRFHZUCVJJIDJM-LOYHVIPDSA-N -1 1 606.704 6.203 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OC ZINC000059853005 554453489 /nfs/dbraw/zinc/45/34/89/554453489.db2.gz QZYFEXSVQKCDMS-CQSZACIVSA-N -1 1 575.030 6.296 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059883803 554461224 /nfs/dbraw/zinc/46/12/24/554461224.db2.gz SMBVLEZCXUGRTG-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccccc2C)cc1 ZINC000059883831 554461290 /nfs/dbraw/zinc/46/12/90/554461290.db2.gz RUMLTMRNSJAHSA-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059884465 554462384 /nfs/dbraw/zinc/46/23/84/554462384.db2.gz QUDPMCZWUBKXIX-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059884637 554463012 /nfs/dbraw/zinc/46/30/12/554463012.db2.gz ABHXHOVDGBIVNZ-UHFFFAOYSA-N -1 1 626.200 6.715 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100742844 554463712 /nfs/dbraw/zinc/46/37/12/554463712.db2.gz CZKTYPOIXMVYQB-BBTUJRGHSA-N -1 1 543.723 5.466 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884923 554463787 /nfs/dbraw/zinc/46/37/87/554463787.db2.gz IKSKGPUUMNDZEY-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000059885042 554463909 /nfs/dbraw/zinc/46/39/09/554463909.db2.gz OMCVLFTYHLNCGQ-UHFFFAOYSA-N -1 1 618.506 5.223 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000059885010 554463939 /nfs/dbraw/zinc/46/39/39/554463939.db2.gz IDNRTFJJSQHQPL-UHFFFAOYSA-N -1 1 610.463 5.526 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059885244 554464152 /nfs/dbraw/zinc/46/41/52/554464152.db2.gz RXRADMBNDKEOKB-UHFFFAOYSA-N -1 1 600.118 5.374 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886250 554466236 /nfs/dbraw/zinc/46/62/36/554466236.db2.gz DXBNAUWLSLGYMD-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc2ccccc21 ZINC000059886358 554466617 /nfs/dbraw/zinc/46/66/17/554466617.db2.gz MZDIIJRLBOKUGJ-UHFFFAOYSA-N -1 1 577.606 5.064 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OCC ZINC000059922864 554472645 /nfs/dbraw/zinc/47/26/45/554472645.db2.gz FFRRSJCIXTXNOM-UHFFFAOYSA-N -1 1 537.465 6.163 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)cc2)cc1 ZINC000059923062 554472926 /nfs/dbraw/zinc/47/29/26/554472926.db2.gz HJYHGUATKPAZMP-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060018123 554489144 /nfs/dbraw/zinc/48/91/44/554489144.db2.gz AUXSPLOSAIPNFA-QFIPXVFZSA-N -1 1 609.692 5.119 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000060028126 554490328 /nfs/dbraw/zinc/49/03/28/554490328.db2.gz GNARFYZWFHYFDY-UHFFFAOYSA-N -1 1 600.062 7.365 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OC ZINC000060028349 554492550 /nfs/dbraw/zinc/49/25/50/554492550.db2.gz OBIIUZYEMJUPJQ-UHFFFAOYSA-N -1 1 608.116 5.691 40 0 KKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060028755 554495324 /nfs/dbraw/zinc/49/53/24/554495324.db2.gz PFSQBRGKMYGREJ-QHCPKHFHSA-N -1 1 540.991 6.573 40 0 KKABMM Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000060059838 554497833 /nfs/dbraw/zinc/49/78/33/554497833.db2.gz SPQQNGBEAZYLCS-UHFFFAOYSA-N -1 1 541.673 6.598 40 0 KKABMM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060060761 554500787 /nfs/dbraw/zinc/50/07/87/554500787.db2.gz ZJLFTCSCYSGMPO-OAQYLSRUSA-N -1 1 530.927 6.095 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3)c(Cl)c2)cc1 ZINC000060060951 554501449 /nfs/dbraw/zinc/50/14/49/554501449.db2.gz QFDHUDCLXPCCCA-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccc(Cl)cc1Cl ZINC000100931082 554527541 /nfs/dbraw/zinc/52/75/41/554527541.db2.gz TYRAZIYVFCEZQR-NSOVKSMOSA-N -1 1 561.513 7.388 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101097932 554584867 /nfs/dbraw/zinc/58/48/67/554584867.db2.gz YCFGIEJBOWXYAF-ULNSLHSMSA-N -1 1 514.622 5.878 40 0 KKABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101177415 554665271 /nfs/dbraw/zinc/66/52/71/554665271.db2.gz DMHNEUYLYCQTPN-AYQJTBPPSA-N -1 1 534.612 6.024 40 0 KKABMM O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356303 554915101 /nfs/dbraw/zinc/91/51/01/554915101.db2.gz ADOYRVJFXKCBSF-GFCCVEGCSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356316 554915169 /nfs/dbraw/zinc/91/51/69/554915169.db2.gz QGAQXUAVHVGNPR-CQSZACIVSA-N -1 1 513.168 5.192 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1 ZINC000102622885 554987685 /nfs/dbraw/zinc/98/76/85/554987685.db2.gz QHEYVDAKIVPMSO-UHFFFAOYSA-N -1 1 597.523 5.428 40 0 KKABMM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C([O-])=CC(=O)C(=O)Nc1ccccc1C ZINC000102915610 555143976 /nfs/dbraw/zinc/14/39/76/555143976.db2.gz PUVDHTWYIKEPFV-UHFFFAOYSA-N -1 1 520.614 6.060 40 0 KKABMM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=C([O-])C(=O)Nc1ccccc1C ZINC000102915610 555143978 /nfs/dbraw/zinc/14/39/78/555143978.db2.gz PUVDHTWYIKEPFV-UHFFFAOYSA-N -1 1 520.614 6.060 40 0 KKABMM COc1ccc(C(=O)[C@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000103559935 555448310 /nfs/dbraw/zinc/44/83/10/555448310.db2.gz BVPTWCNALFELOH-RBUURGHLSA-N -1 1 595.449 5.907 40 0 KKABMM C=CC(=O)OC(COc1ccc(C(=O)c2ccccc2)c([O-])c1)COc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000103665531 555461658 /nfs/dbraw/zinc/46/16/58/555461658.db2.gz KQVIDCCKLYDABT-UHFFFAOYSA-N -1 1 538.552 5.115 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1ccccc1Cl ZINC000103759519 555470872 /nfs/dbraw/zinc/47/08/72/555470872.db2.gz PALZRPSRCRRBNT-UHFFFAOYSA-N -1 1 621.137 7.897 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)Nc4cccc(C(F)(F)F)c4)sc3c2)cc1 ZINC000103768399 555473932 /nfs/dbraw/zinc/47/39/32/555473932.db2.gz MTTKEGDRRZDPHS-UHFFFAOYSA-N -1 1 537.610 6.155 40 0 KKABMM Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000103771480 555475304 /nfs/dbraw/zinc/47/53/04/555475304.db2.gz CGKPXUSGNMSSAT-UHFFFAOYSA-N -1 1 531.168 7.957 40 0 KKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)cc3[O-])nc2c1 ZINC000105304985 571393479 /nfs/dbraw/zinc/39/34/79/571393479.db2.gz RJYPEDHGQWSLKD-UHFFFAOYSA-N -1 1 537.641 7.030 40 0 KKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000105309882 571395728 /nfs/dbraw/zinc/39/57/28/571395728.db2.gz YZHMPCJAVMFRRQ-FNORWQNLSA-N -1 1 523.869 7.436 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3[O-])oc2c1 ZINC000105310364 571396032 /nfs/dbraw/zinc/39/60/32/571396032.db2.gz RELHFESHNMAULY-UHFFFAOYSA-N -1 1 538.412 7.202 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])oc2c(C)c1 ZINC000105310484 571396187 /nfs/dbraw/zinc/39/61/87/571396187.db2.gz JDVAPZNVURAFKT-UXBLZVDNSA-N -1 1 578.477 7.910 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3[O-])nc2c1 ZINC000105310649 571396211 /nfs/dbraw/zinc/39/62/11/571396211.db2.gz QRYYYPCDGWZQQT-UHFFFAOYSA-N -1 1 519.476 5.455 40 0 KKABMM O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000105310719 571396294 /nfs/dbraw/zinc/39/62/94/571396294.db2.gz CPEVMQUWIRLSQR-XBXARRHUSA-N -1 1 584.868 7.947 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000105704109 571408393 /nfs/dbraw/zinc/40/83/93/571408393.db2.gz CIYFFRUJSWOWTC-UHFFFAOYSA-N -1 1 611.717 5.476 40 0 KKABMM COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000105891613 571409332 /nfs/dbraw/zinc/40/93/32/571409332.db2.gz BFSMYSXULNXVRL-UHFFFAOYSA-N -1 1 614.145 6.128 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2C)cc1C ZINC000106189686 571411648 /nfs/dbraw/zinc/41/16/48/571411648.db2.gz IMENSMYVIUCQKI-UHFFFAOYSA-N -1 1 617.671 6.485 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2)cc1 ZINC000106246937 571411651 /nfs/dbraw/zinc/41/16/51/571411651.db2.gz MASSDDJGHRSLLD-UHFFFAOYSA-N -1 1 620.536 5.880 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)ccc2C)c1 ZINC000106576554 571413048 /nfs/dbraw/zinc/41/30/48/571413048.db2.gz WTHFWIDDSDGCPG-UHFFFAOYSA-N -1 1 567.664 5.605 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)ccc2C)c1C ZINC000106719205 571415772 /nfs/dbraw/zinc/41/57/72/571415772.db2.gz RCMYPWXBRLVATF-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000107827507 571421255 /nfs/dbraw/zinc/42/12/55/571421255.db2.gz HXMYQAMYPIVEEC-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000107919868 571421674 /nfs/dbraw/zinc/42/16/74/571421674.db2.gz KEHOLYYAAFWISN-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000108030714 571422065 /nfs/dbraw/zinc/42/20/65/571422065.db2.gz BGIXSENMCSVNAX-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)cc1 ZINC000108213332 571422682 /nfs/dbraw/zinc/42/26/82/571422682.db2.gz SLFMSMNVCDEZMH-UHFFFAOYSA-N -1 1 585.707 6.311 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000108973104 571427862 /nfs/dbraw/zinc/42/78/62/571427862.db2.gz XXRGYSQIJCRJNN-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)s2)cc1 ZINC000223073566 571428361 /nfs/dbraw/zinc/42/83/61/571428361.db2.gz NPLUATULKGEWGZ-UHFFFAOYSA-N -1 1 508.625 5.192 40 0 KKABMM COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000109106606 571428446 /nfs/dbraw/zinc/42/84/46/571428446.db2.gz PFYNMYUAFSSTPB-UHFFFAOYSA-N -1 1 614.145 6.128 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000109346999 571428992 /nfs/dbraw/zinc/42/89/92/571428992.db2.gz IQIIPDQDYUIGAU-UHFFFAOYSA-N -1 1 611.767 5.442 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c1 ZINC000110114393 571430754 /nfs/dbraw/zinc/43/07/54/571430754.db2.gz PIXYSLFRXOBDHK-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(F)cc2)cc1 ZINC000110369469 571431168 /nfs/dbraw/zinc/43/11/68/571431168.db2.gz VWQCRPVGRDREIS-UHFFFAOYSA-N -1 1 611.717 5.476 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2ccc(F)cc2)cc1 ZINC000110410626 571431194 /nfs/dbraw/zinc/43/11/94/571431194.db2.gz ZJSYFWQRVNOCMT-UHFFFAOYSA-N -1 1 597.690 5.168 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(C)c(Cl)c5)o4)cc3[O-])oc2c1 ZINC000112229169 571433871 /nfs/dbraw/zinc/43/38/71/571433871.db2.gz ALSVREIEYFVIAR-XYOKQWHBSA-N -1 1 544.032 7.257 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(NC(=O)c4cccc(Cl)c4)c(F)c3)ccc21 ZINC000113510419 571439348 /nfs/dbraw/zinc/43/93/48/571439348.db2.gz MSPYYXCWDDWMHA-UHFFFAOYSA-N -1 1 522.001 6.660 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000113510137 571439432 /nfs/dbraw/zinc/43/94/32/571439432.db2.gz UTYZBPLXHBYHLX-UHFFFAOYSA-N -1 1 541.737 6.858 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)c(F)c3)ccc21 ZINC000113516473 571439819 /nfs/dbraw/zinc/43/98/19/571439819.db2.gz VURGUFVVDUDHJK-UHFFFAOYSA-N -1 1 522.001 6.660 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000113619351 571440795 /nfs/dbraw/zinc/44/07/95/571440795.db2.gz MJZFMNCSRYHLOK-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)c2C)cc1 ZINC000113619680 571440816 /nfs/dbraw/zinc/44/08/16/571440816.db2.gz UYSLJXZIQDYDHE-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000113621021 571441238 /nfs/dbraw/zinc/44/12/38/571441238.db2.gz OIPZKVBOGMMIHT-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)c1 ZINC000113639081 571442144 /nfs/dbraw/zinc/44/21/44/571442144.db2.gz GGTDCHBXPNTARP-UHFFFAOYSA-N -1 1 610.585 5.592 40 0 KKABMM O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000223278387 571453941 /nfs/dbraw/zinc/45/39/41/571453941.db2.gz NVRZCOUKOWUORT-UHFFFAOYSA-N -1 1 517.057 5.537 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000140044798 571454553 /nfs/dbraw/zinc/45/45/53/571454553.db2.gz FXFNNWCLNYIEBE-UHFFFAOYSA-N -1 1 548.564 6.099 40 0 KKABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000140053591 571454688 /nfs/dbraw/zinc/45/46/88/571454688.db2.gz DSKFAHILTJETDJ-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)cc2)c1 ZINC000140090251 571454997 /nfs/dbraw/zinc/45/49/97/571454997.db2.gz KDHRAIREIYJHIL-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1C(C)C ZINC000223301793 571457648 /nfs/dbraw/zinc/45/76/48/571457648.db2.gz ZGVQQRJKAHVBEX-QFIPXVFZSA-N -1 1 508.684 6.344 40 0 KKABMM Cc1[n-]n(-c2ccccc2Br)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2Br)c1=O)c1ccc(Br)cc1 ZINC000150347104 571460806 /nfs/dbraw/zinc/46/08/06/571460806.db2.gz MTQMJWOUZYTNMD-DNQXCXABSA-N -1 1 673.203 7.136 40 0 KKABMM COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1C(C)C ZINC000223341321 571463060 /nfs/dbraw/zinc/46/30/60/571463060.db2.gz OCMUNILCEYNSGQ-GOSISDBHSA-N -1 1 501.048 6.072 40 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/nfs/dbraw/zinc/50/39/57/571503957.db2.gz VHVVRPDUQAZUHA-UHFFFAOYSA-N -1 1 685.121 6.364 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)ccc2C)cc1C ZINC000223653458 571521201 /nfs/dbraw/zinc/52/12/01/571521201.db2.gz NDTSCBHNRYJKEP-UHFFFAOYSA-N -1 1 513.044 5.837 40 0 KKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c2ccccc2O1 ZINC000224419437 571542339 /nfs/dbraw/zinc/54/23/39/571542339.db2.gz YWICDJYTQKPWOT-XMMPIXPASA-N -1 1 513.059 6.262 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1OC ZINC000197821710 571564682 /nfs/dbraw/zinc/56/46/82/571564682.db2.gz PEAIOYGVLDPYOD-UHFFFAOYSA-N -1 1 663.696 5.666 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000197822626 571564780 /nfs/dbraw/zinc/56/47/80/571564780.db2.gz JJRNCNLDAHTVGM-UHFFFAOYSA-N -1 1 630.542 5.093 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1Br ZINC000197823672 571564844 /nfs/dbraw/zinc/56/48/44/571564844.db2.gz XKYHGNWEYOSNOM-UHFFFAOYSA-N -1 1 640.887 5.327 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000197824585 571565041 /nfs/dbraw/zinc/56/50/41/571565041.db2.gz NULIAMJMMDEGNI-UHFFFAOYSA-N -1 1 630.881 5.871 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1Br ZINC000197826584 571565207 /nfs/dbraw/zinc/56/52/07/571565207.db2.gz MHHOMAPQKZCSII-UHFFFAOYSA-N -1 1 712.566 6.420 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000197829342 571565388 /nfs/dbraw/zinc/56/53/88/571565388.db2.gz UXFUUTPLNDBDSW-UHFFFAOYSA-N -1 1 660.568 5.101 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000197828928 571565392 /nfs/dbraw/zinc/56/53/92/571565392.db2.gz CGZCHFYIDONBMY-UHFFFAOYSA-N -1 1 660.568 5.101 40 0 KKABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197829955 571565396 /nfs/dbraw/zinc/56/53/96/571565396.db2.gz WIAGLZZHTFTPMC-UHFFFAOYSA-N -1 1 642.052 6.133 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000197828559 571565412 /nfs/dbraw/zinc/56/54/12/571565412.db2.gz BNMQXAHHBQYECJ-UHFFFAOYSA-N -1 1 702.560 6.964 40 0 KKABMM Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000197829171 571565420 /nfs/dbraw/zinc/56/54/20/571565420.db2.gz VVAQEAWYIQSHEO-UHFFFAOYSA-N -1 1 696.250 8.250 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000197829002 571565422 /nfs/dbraw/zinc/56/54/22/571565422.db2.gz FICWRFGQKXZSKG-UHFFFAOYSA-N -1 1 650.178 6.527 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000197828312 571565449 /nfs/dbraw/zinc/56/54/49/571565449.db2.gz RAVGQGMVELRGAT-UHFFFAOYSA-N -1 1 634.563 5.945 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000197831621 571565833 /nfs/dbraw/zinc/56/58/33/571565833.db2.gz YMIHHMHHQWHUDO-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000197831753 571565865 /nfs/dbraw/zinc/56/58/65/571565865.db2.gz VWOXRUAIJISRGM-UHFFFAOYSA-N -1 1 702.958 6.756 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)c(Cl)c2)cc1 ZINC000197963091 571566242 /nfs/dbraw/zinc/56/62/42/571566242.db2.gz UFYRVGLEFZMTSN-UHFFFAOYSA-N -1 1 624.062 6.521 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000198309470 571566724 /nfs/dbraw/zinc/56/67/24/571566724.db2.gz CUCHAXQIDAPWNA-UHFFFAOYSA-N -1 1 628.570 5.701 40 0 KKABMM 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/nfs/dbraw/zinc/06/85/09/572068509.db2.gz GKVNULGXABHGRM-UHFFFAOYSA-N -1 1 517.028 5.051 40 0 KKABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1 ZINC000225788722 572068636 /nfs/dbraw/zinc/06/86/36/572068636.db2.gz MLJRXIGYDLISLP-UHFFFAOYSA-N -1 1 517.028 5.051 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)ccc21 ZINC000225791077 572069000 /nfs/dbraw/zinc/06/90/00/572069000.db2.gz XVDWBBHTVGNQLH-UHFFFAOYSA-N -1 1 548.089 6.693 40 0 KKABMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)ccc1Br ZINC000225799093 572070485 /nfs/dbraw/zinc/07/04/85/572070485.db2.gz PEHNEABWDUUIDY-UHFFFAOYSA-N -1 1 523.861 5.636 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2n1Cc1ccccc1Cl ZINC000225799844 572071118 /nfs/dbraw/zinc/07/11/18/572071118.db2.gz QEABWULVXKKXIE-UHFFFAOYSA-N -1 1 565.160 7.033 40 0 KKABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c1 ZINC000225802356 572071593 /nfs/dbraw/zinc/07/15/93/572071593.db2.gz RTKPWTIGVRYHHC-UHFFFAOYSA-N -1 1 517.028 5.051 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225805349 572071980 /nfs/dbraw/zinc/07/19/80/572071980.db2.gz YEUMTPRALRIBEO-UHFFFAOYSA-N -1 1 515.056 5.887 40 0 KKABMM CC[C@@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000225926991 572084042 /nfs/dbraw/zinc/08/40/42/572084042.db2.gz MSAZXDIFZLFFSS-LKWHQYCASA-N -1 1 598.696 7.296 40 0 KKABMM CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@H]2c1cc(OC)c([O-])c(Br)c1Br ZINC000261364686 572106991 /nfs/dbraw/zinc/10/69/91/572106991.db2.gz MYBKAVAXSREOLU-QGZVFWFLSA-O -1 1 620.141 5.223 40 0 KKABMM Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000226080301 572130368 /nfs/dbraw/zinc/13/03/68/572130368.db2.gz ZLZCPQLWRRODDM-UHFFFAOYSA-N -1 1 523.836 5.538 40 0 KKABMM CCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000226080849 572130726 /nfs/dbraw/zinc/13/07/26/572130726.db2.gz IICBKVVOHQGFCN-UHFFFAOYSA-N -1 1 586.335 6.699 40 0 KKABMM C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000229934069 572171332 /nfs/dbraw/zinc/17/13/32/572171332.db2.gz LFQUEZXNGIVXPA-PVXUQXBXSA-N -1 1 665.042 9.130 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000408543564 572213406 /nfs/dbraw/zinc/21/34/06/572213406.db2.gz FJXRODZNPXQTFW-UHFFFAOYSA-N -1 1 618.108 5.513 40 0 KKABMM Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)ccc2Cl)c1 ZINC000408544029 572214107 /nfs/dbraw/zinc/21/41/07/572214107.db2.gz GQPSVOMMHZCCGG-UHFFFAOYSA-N -1 1 577.109 5.267 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408545113 572217923 /nfs/dbraw/zinc/21/79/23/572217923.db2.gz PCEIAXXXDIDULW-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(F)cc2)cc1 ZINC000408545697 572220703 /nfs/dbraw/zinc/22/07/03/572220703.db2.gz MONYDAAMLDRESM-UHFFFAOYSA-N -1 1 619.696 5.622 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)cc2)cc1 ZINC000408545912 572221610 /nfs/dbraw/zinc/22/16/10/572221610.db2.gz BJRQCAUSAQHHGK-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000408546965 572224604 /nfs/dbraw/zinc/22/46/04/572224604.db2.gz HYCXGWGEHOVGCK-UHFFFAOYSA-N -1 1 503.454 5.317 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1C ZINC000408547272 572225318 /nfs/dbraw/zinc/22/53/18/572225318.db2.gz YCZABIFZIWZBER-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2C)c(C)c1 ZINC000408547309 572225355 /nfs/dbraw/zinc/22/53/55/572225355.db2.gz YRBMZOAATSWEBH-UHFFFAOYSA-N -1 1 555.722 5.230 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408547468 572225707 /nfs/dbraw/zinc/22/57/07/572225707.db2.gz JUGRZOWPYMKACD-HHHXNRCGSA-N -1 1 636.073 6.779 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2C)c1 ZINC000408547629 572226409 /nfs/dbraw/zinc/22/64/09/572226409.db2.gz KJNIHCRBHJUODA-UHFFFAOYSA-N -1 1 521.038 7.111 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)c(C)c1 ZINC000408547678 572226661 /nfs/dbraw/zinc/22/66/61/572226661.db2.gz LDZBUDMPEPWUGI-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408548112 572227880 /nfs/dbraw/zinc/22/78/80/572227880.db2.gz PIRVGMXZMFPLRS-UHFFFAOYSA-N -1 1 502.561 5.029 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)ccc2C)cc1C ZINC000408548137 572228286 /nfs/dbraw/zinc/22/82/86/572228286.db2.gz PQVBFZJWNDFNDD-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)cc1Cl ZINC000408548165 572228457 /nfs/dbraw/zinc/22/84/57/572228457.db2.gz QCNBYDBIRQHMEW-UHFFFAOYSA-N -1 1 604.537 6.180 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2C)c1 ZINC000408548438 572228811 /nfs/dbraw/zinc/22/88/11/572228811.db2.gz RPUYUBUTTVHCLF-UHFFFAOYSA-N -1 1 541.673 5.637 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408548465 572229049 /nfs/dbraw/zinc/22/90/49/572229049.db2.gz SDQKQTLSKOGFRW-UHFFFAOYSA-N -1 1 662.189 7.076 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1I ZINC000408549346 572231557 /nfs/dbraw/zinc/23/15/57/572231557.db2.gz XXFGXOUMAKIOOD-UHFFFAOYSA-N -1 1 613.282 5.208 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000408549373 572232043 /nfs/dbraw/zinc/23/20/43/572232043.db2.gz YLRVKWDAUNFTRQ-UHFFFAOYSA-N -1 1 633.670 5.490 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000408556297 572243683 /nfs/dbraw/zinc/24/36/83/572243683.db2.gz ISDKMFNKKIADFH-UHFFFAOYSA-N -1 1 557.455 6.391 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408559265 572246468 /nfs/dbraw/zinc/24/64/68/572246468.db2.gz WHYVCGYHNQDWKE-UHFFFAOYSA-N -1 1 520.221 6.362 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559196 572246547 /nfs/dbraw/zinc/24/65/47/572246547.db2.gz VZPVFHHGFALDST-UHFFFAOYSA-N -1 1 556.809 5.396 40 0 KKABMM O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000408572569 572257922 /nfs/dbraw/zinc/25/79/22/572257922.db2.gz KGTXJAIRHQXVJH-UKTHLTGXSA-N -1 1 515.978 6.640 40 0 KKABMM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408584323 572265667 /nfs/dbraw/zinc/26/56/67/572265667.db2.gz OCJBNDFQJFJTTN-UHFFFAOYSA-N -1 1 551.448 5.769 40 0 KKABMM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c(C)c1 ZINC000408586274 572266219 /nfs/dbraw/zinc/26/62/19/572266219.db2.gz AXAWNXWJDLFROL-UHFFFAOYSA-N -1 1 526.964 6.102 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408590387 572267720 /nfs/dbraw/zinc/26/77/20/572267720.db2.gz GZEZXQSANPAUPP-UHFFFAOYSA-N -1 1 588.435 5.541 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000408595860 572270527 /nfs/dbraw/zinc/27/05/27/572270527.db2.gz VMSRECMMPKGRIK-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1 ZINC000408597309 572271552 /nfs/dbraw/zinc/27/15/52/572271552.db2.gz YNTNOTCFAWSGEC-UHFFFAOYSA-N -1 1 517.003 5.115 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3Cl)ccc21 ZINC000408601034 572272605 /nfs/dbraw/zinc/27/26/05/572272605.db2.gz DSVNLDNKLHMEGX-UHFFFAOYSA-N -1 1 534.037 6.286 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000408602270 572273225 /nfs/dbraw/zinc/27/32/25/572273225.db2.gz INEVENDXHWXALZ-UHFFFAOYSA-N -1 1 537.318 5.970 40 0 KKABMM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408604183 572273960 /nfs/dbraw/zinc/27/39/60/572273960.db2.gz LHWSLFPPUGVQQW-UHFFFAOYSA-N -1 1 549.354 5.839 40 0 KKABMM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Br)c(O)c(I)c2)C(=O)[O-])o1 ZINC000408631295 572287258 /nfs/dbraw/zinc/28/72/58/572287258.db2.gz DFKKZBUIMIXHPT-NSIKDUERSA-N -1 1 609.623 5.689 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2C)c1 ZINC000408630307 572285997 /nfs/dbraw/zinc/28/59/97/572285997.db2.gz RLFMWSOAMMLSNB-UHFFFAOYSA-N -1 1 531.600 5.394 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2C)c1C ZINC000408630949 572286796 /nfs/dbraw/zinc/28/67/96/572286796.db2.gz YIAUXJOVBDRHMF-UHFFFAOYSA-N -1 1 531.600 5.394 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)cc(Br)c3OC)C(=O)[O-])n2)c1 ZINC000408631072 572286942 /nfs/dbraw/zinc/28/69/42/572286942.db2.gz BVEUFZRUIIMIDQ-APSNUPSMSA-N -1 1 571.247 5.240 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4cccc5ccccc54)cc3)C(=O)[O-])n2)c1 ZINC000408631264 572287283 /nfs/dbraw/zinc/28/72/83/572287283.db2.gz CUEAXICEBDZNIF-VYYCAZPPSA-N -1 1 539.613 6.439 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])n1 ZINC000408631417 572287558 /nfs/dbraw/zinc/28/75/58/572287558.db2.gz IOPUCXDSCASNMS-YVNNLAQVSA-N -1 1 597.307 7.891 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)[O-])n1 ZINC000408631622 572287679 /nfs/dbraw/zinc/28/76/79/572287679.db2.gz KVBQYSARXPDLKA-JJFYIABZSA-N -1 1 590.858 6.832 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)[O-])n1 ZINC000408631874 572288169 /nfs/dbraw/zinc/28/81/69/572288169.db2.gz MRRDKSWUEIWROR-MSXFZWOLSA-N -1 1 551.455 7.008 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408631923 572288175 /nfs/dbraw/zinc/28/81/75/572288175.db2.gz HFZJDWBLYNQKOO-ROTLSHHCSA-N -1 1 581.481 7.017 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)[O-])n1 ZINC000408631913 572288197 /nfs/dbraw/zinc/28/81/97/572288197.db2.gz NEICFNFRQHASCF-KSEXSDGBSA-N -1 1 592.888 7.246 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000408632196 572288428 /nfs/dbraw/zinc/28/84/28/572288428.db2.gz OQLFVYKWRCSSBM-CFRMEGHHSA-N -1 1 572.470 6.983 40 0 KKABMM O=C([O-])C(=Cc1cc(Cl)ccc1OCc1ccccc1Cl)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632360 572288727 /nfs/dbraw/zinc/28/87/27/572288727.db2.gz DXEXKRUATDMWKL-MTJSOVHGSA-N -1 1 532.836 7.229 40 0 KKABMM O=C([O-])C(=Cc1c(OCc2ccccc2)ccc2ccccc21)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632686 572289159 /nfs/dbraw/zinc/28/91/59/572289159.db2.gz GVVHXYHTMCWCGJ-XYGWBWBKSA-N -1 1 514.006 7.075 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[O-])n1 ZINC000408632818 572289249 /nfs/dbraw/zinc/28/92/49/572289249.db2.gz TVNVYVOJVIVEKD-MYKKPKGFSA-N -1 1 585.900 7.661 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(Sc3nc4ccccc4s3)o2)C(=O)[O-])n1 ZINC000408632778 572289274 /nfs/dbraw/zinc/28/92/74/572289274.db2.gz SJUWSIVUSKXICG-WQRHYEAKSA-N -1 1 543.051 6.705 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OCc3ccccc3F)c(OC)c2)C(=O)[O-])n1 ZINC000408633049 572289724 /nfs/dbraw/zinc/28/97/24/572289724.db2.gz VKMCEFVJDATRKR-JJFYIABZSA-N -1 1 667.884 6.683 40 0 KKABMM O=C([O-])C(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633271 572289953 /nfs/dbraw/zinc/28/99/53/572289953.db2.gz JOJKJQQEMFJSRE-QRVIBDJDSA-N -1 1 565.880 7.108 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)cc(I)c3OCc3ccccc3)C(=O)[O-])n2)c1 ZINC000408634026 572290961 /nfs/dbraw/zinc/29/09/61/572290961.db2.gz RCITZKDLUIOUNN-JJFYIABZSA-N -1 1 741.345 6.495 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)[O-])n2)c1 ZINC000408634212 572291195 /nfs/dbraw/zinc/29/11/95/572291195.db2.gz SDJJKFDAVQPDET-AQHIEDMUSA-N -1 1 558.443 6.593 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccccc4Cl)c(Br)c3)C(=O)[O-])n2)c1 ZINC000408634233 572291213 /nfs/dbraw/zinc/29/12/13/572291213.db2.gz SKSRNCCFAXUJGO-RMORIDSASA-N -1 1 602.894 6.702 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000408634419 572291504 /nfs/dbraw/zinc/29/15/04/572291504.db2.gz QYNBQCSFRCCQKK-XKZIYDEJSA-N -1 1 528.417 6.584 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408634441 572291522 /nfs/dbraw/zinc/29/15/22/572291522.db2.gz RGRLAUUWUJOGFC-UCQKPKSFSA-N -1 1 542.444 6.974 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(OCc4ccccc4)ccc4ccccc43)C(=O)[O-])n2)c1 ZINC000408634734 572291829 /nfs/dbraw/zinc/29/18/29/572291829.db2.gz WZZLTEAGPIYDPN-PKAZHMFMSA-N -1 1 539.613 6.439 40 0 KKABMM O=C([O-])C(=Cc1ccccc1OCc1cccc2ccccc21)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635303 572292403 /nfs/dbraw/zinc/29/24/03/572292403.db2.gz YWNMKKXQRSMBPL-XYGWBWBKSA-N -1 1 514.006 7.075 40 0 KKABMM C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635409 572292413 /nfs/dbraw/zinc/29/24/13/572292413.db2.gz AQZKZNYWDXETSM-QGZVFWFLSA-N -1 1 507.439 5.311 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000408635919 572292803 /nfs/dbraw/zinc/29/28/03/572292803.db2.gz JOSVKNLGXQRIJP-UHFFFAOYSA-N -1 1 543.428 6.604 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Br)cc1F ZINC000408636314 572293107 /nfs/dbraw/zinc/29/31/07/572293107.db2.gz OBAILGBLVHAPLH-UHFFFAOYSA-N -1 1 548.217 5.713 40 0 KKABMM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000408636241 572293116 /nfs/dbraw/zinc/29/31/16/572293116.db2.gz MKRIVXYWGJSWEU-UHFFFAOYSA-N -1 1 568.910 5.484 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000408637082 572294072 /nfs/dbraw/zinc/29/40/72/572294072.db2.gz XEGVDDVAGDHONT-UHFFFAOYSA-N -1 1 533.477 5.654 40 0 KKABMM COc1cc2c(cc1NC(=O)CN1CCC[C@@H]1Cc1c3ccccc3sc1C(=O)[O-])oc1ccccc12 ZINC000257297796 572315659 /nfs/dbraw/zinc/31/56/59/572315659.db2.gz RIVIKMUWHFZXHD-QGZVFWFLSA-N -1 1 514.603 6.153 40 0 KKABMM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408679684 572320731 /nfs/dbraw/zinc/32/07/31/572320731.db2.gz JUKJVBNQYJPLMF-UHFFFAOYSA-N -1 1 512.937 6.199 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Br)c1OC(C)C ZINC000101139964 1069699589 /nfs/dbraw/zinc/69/95/89/1069699589.db2.gz LUAYIIKIPRWPOL-UHFFFAOYSA-N -1 1 603.517 6.825 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423117 1069717448 /nfs/dbraw/zinc/71/74/48/1069717448.db2.gz XSGAZPCWODYNCB-UHFFFAOYSA-N -1 1 588.664 7.091 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N(C)C)c(Br)c1 ZINC000108423179 1069718221 /nfs/dbraw/zinc/71/82/21/1069718221.db2.gz KOUYPIVRRTVOPQ-UHFFFAOYSA-N -1 1 558.480 6.095 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1cccs1 ZINC000108423294 1069720243 /nfs/dbraw/zinc/72/02/43/1069720243.db2.gz VOOGLGLGDDLZIL-UHFFFAOYSA-N -1 1 592.677 6.556 40 0 KKABMM CCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423324 1069720331 /nfs/dbraw/zinc/72/03/31/1069720331.db2.gz WTPFTOFDNCZUIN-UHFFFAOYSA-N -1 1 524.621 6.064 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cc(C)cc(C(C)(C)C)c1O ZINC000108423501 1069721854 /nfs/dbraw/zinc/72/18/54/1069721854.db2.gz OPRIXVYHYFOIBC-UHFFFAOYSA-N -1 1 522.649 6.578 40 0 KKABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087624 1069770887 /nfs/dbraw/zinc/77/08/87/1069770887.db2.gz CMSMJRPGTADOMG-NCBZSOBPSA-N -1 1 778.257 5.041 40 0 KKABMM O=C1[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)S1 ZINC000408817226 1069973975 /nfs/dbraw/zinc/97/39/75/1069973975.db2.gz XIQQQMJIHKNXLV-XQNSMLJCSA-N -1 1 501.405 6.898 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408920646 1070227185 /nfs/dbraw/zinc/22/71/85/1070227185.db2.gz LRWSJAUHYRNOPY-UHFFFAOYSA-N -1 1 601.706 5.483 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3Br)cc2)c1 ZINC000408921059 1070228393 /nfs/dbraw/zinc/22/83/93/1070228393.db2.gz RLMHPMXBTMMZDT-UHFFFAOYSA-N -1 1 505.459 5.430 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cccc(Cl)c2)cc1 ZINC000408925476 1070237147 /nfs/dbraw/zinc/23/71/47/1070237147.db2.gz UADGZBRNBYBYRM-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000408924267 1070242440 /nfs/dbraw/zinc/24/24/40/1070242440.db2.gz FMAAFRJLZLTMLW-UHFFFAOYSA-N -1 1 623.753 5.264 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1Br ZINC000409024306 1070407548 /nfs/dbraw/zinc/40/75/48/1070407548.db2.gz JNTZAXGXAUJOKJ-UHFFFAOYSA-N -1 1 566.282 5.366 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(I)cc(I)c3[O-])sc2=N1 ZINC000409031512 1070416672 /nfs/dbraw/zinc/41/66/72/1070416672.db2.gz HCICLEXGKAETOY-BJJGPXNVSA-N -1 1 764.807 5.155 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(I)cc(I)c3[O-])sc2=N1 ZINC000409033157 1070422442 /nfs/dbraw/zinc/42/24/42/1070422442.db2.gz FBSMHFHFYYPQLY-BJJGPXNVSA-N -1 1 809.258 5.264 40 0 KKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000409178489 1070594258 /nfs/dbraw/zinc/59/42/58/1070594258.db2.gz IUOCUPBDKPEWJK-OAHLLOKOSA-N -1 1 529.005 6.587 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409409771 1070919540 /nfs/dbraw/zinc/91/95/40/1070919540.db2.gz QZJYVHGQRWDMHM-UHFFFAOYSA-N -1 1 633.723 6.012 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2C)cc1C ZINC000409412364 1070924159 /nfs/dbraw/zinc/92/41/59/1070924159.db2.gz VDZIJGVJEVTMOW-UHFFFAOYSA-N -1 1 502.661 6.816 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000409412382 1070924822 /nfs/dbraw/zinc/92/48/22/1070924822.db2.gz VULKPGQAVSNYIR-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM CCCCOC1=CC[C@H](C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)C=C1 ZINC000408737125 1070951197 /nfs/dbraw/zinc/95/11/97/1070951197.db2.gz KIAHRHMPAOKJGA-HSZRJFAPSA-N -1 1 510.638 6.495 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(C)cc2)cc1OC ZINC000408926001 1071075274 /nfs/dbraw/zinc/07/52/74/1071075274.db2.gz WKPRJXMHEAYEQE-UHFFFAOYSA-N -1 1 623.753 5.264 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408925109 1071079856 /nfs/dbraw/zinc/07/98/56/1071079856.db2.gz JPEZUEORMVGHIC-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408924337 1071082745 /nfs/dbraw/zinc/08/27/45/1071082745.db2.gz GXEKVKCJTGIYJD-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408923469 1071087076 /nfs/dbraw/zinc/08/70/76/1071087076.db2.gz YBBSHVDXQJHIOH-ZDUSSCGKSA-N -1 1 549.423 6.932 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000408921144 1071096455 /nfs/dbraw/zinc/09/64/55/1071096455.db2.gz SWTDFCJQFGUELB-UHFFFAOYSA-N -1 1 664.433 6.237 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408921078 1071096505 /nfs/dbraw/zinc/09/65/05/1071096505.db2.gz RTGSIHMZSOUWDF-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408920632 1071104250 /nfs/dbraw/zinc/10/42/50/1071104250.db2.gz KWOWJPOWNZJCBV-UHFFFAOYSA-N -1 1 706.086 7.321 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000408920198 1071110523 /nfs/dbraw/zinc/11/05/23/1071110523.db2.gz AWUQQCPLMYGRCU-UHFFFAOYSA-N -1 1 706.979 7.609 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408927569 1071195131 /nfs/dbraw/zinc/19/51/31/1071195131.db2.gz XMQWSXOZCPKTJN-UHFFFAOYSA-N -1 1 617.671 5.903 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000198318692 1071210349 /nfs/dbraw/zinc/21/03/49/1071210349.db2.gz HZXYSXRGZRXBIV-UHFFFAOYSA-N -1 1 663.015 6.354 40 0 KKABMM COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n21 ZINC000408946037 1071274828 /nfs/dbraw/zinc/27/48/28/1071274828.db2.gz ORARPHOBYRCOCD-HUHAETNCSA-N -1 1 748.231 5.031 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2)c1 ZINC000408682337 1071370385 /nfs/dbraw/zinc/37/03/85/1071370385.db2.gz XKWVAFZHDBZVGT-UHFFFAOYSA-N -1 1 565.648 5.058 40 0 KKABMM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408696064 1071381598 /nfs/dbraw/zinc/38/15/98/1071381598.db2.gz ZJNQFNANXVERJP-UHFFFAOYSA-N -1 1 514.978 6.524 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1F ZINC000408696318 1071380971 /nfs/dbraw/zinc/38/09/71/1071380971.db2.gz ZRKWNCWXHAKJNX-UHFFFAOYSA-N -1 1 538.928 5.108 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(C)C ZINC000408695643 1071383786 /nfs/dbraw/zinc/38/37/86/1071383786.db2.gz XAFUHYJCMPSJCO-UHFFFAOYSA-N -1 1 529.467 5.727 40 0 KKABMM O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408695245 1071384624 /nfs/dbraw/zinc/38/46/24/1071384624.db2.gz PHKIORGCEDDUPD-UHFFFAOYSA-N -1 1 587.654 5.594 40 0 KKABMM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408694227 1071388529 /nfs/dbraw/zinc/38/85/29/1071388529.db2.gz GKOFHRTYBDMATD-CQSZACIVSA-N -1 1 528.936 5.574 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(C)C ZINC000408694718 1071386966 /nfs/dbraw/zinc/38/69/66/1071386966.db2.gz LVZRTYRUDCCXSX-UHFFFAOYSA-N -1 1 509.049 5.382 40 0 KKABMM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408693203 1071391832 /nfs/dbraw/zinc/39/18/32/1071391832.db2.gz LEWFAXVKHAQJIN-QFIPXVFZSA-N -1 1 526.964 6.264 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704792 1071437644 /nfs/dbraw/zinc/43/76/44/1071437644.db2.gz SXYNWMQPXGWJRW-LJAQVGFWSA-N -1 1 578.115 6.167 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000408704239 1071441421 /nfs/dbraw/zinc/44/14/21/1071441421.db2.gz LDRKCQZOFPYJQX-SSEXGKCCSA-N -1 1 626.587 7.129 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000408703346 1071445025 /nfs/dbraw/zinc/44/50/25/1071445025.db2.gz PVJAFOZLMCMQKH-UHFFFAOYSA-N -1 1 503.546 5.749 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408702014 1071449995 /nfs/dbraw/zinc/44/99/95/1071449995.db2.gz JKIIDUZOHQYSIL-UHFFFAOYSA-N -1 1 593.727 5.466 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408701016 1071453925 /nfs/dbraw/zinc/45/39/25/1071453925.db2.gz QBVKEIJAVYTKNU-UHFFFAOYSA-N -1 1 562.113 5.266 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715033 1071471675 /nfs/dbraw/zinc/47/16/75/1071471675.db2.gz YAEMIVVFGLWHMZ-UHFFFAOYSA-N -1 1 587.789 5.643 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCC4)c3)cc2)cc1 ZINC000408715065 1071472608 /nfs/dbraw/zinc/47/26/08/1071472608.db2.gz ZXIKRWCYZMBSSV-UHFFFAOYSA-N -1 1 589.761 5.035 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714732 1071474240 /nfs/dbraw/zinc/47/42/40/1071474240.db2.gz MFPWUJMFRHOZJF-UHFFFAOYSA-N -1 1 573.762 5.335 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000408712533 1071481690 /nfs/dbraw/zinc/48/16/90/1071481690.db2.gz GXLBTPNMMMKTAB-UHFFFAOYSA-N -1 1 567.664 5.153 40 0 KKABMM CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000408712338 1071484140 /nfs/dbraw/zinc/48/41/40/1071484140.db2.gz ODKVWPITHQFIOL-UHFFFAOYSA-N -1 1 583.654 5.208 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)c2C)cc1 ZINC000408712359 1071484906 /nfs/dbraw/zinc/48/49/06/1071484906.db2.gz QPIAQZHGZVORMG-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712185 1071487237 /nfs/dbraw/zinc/48/72/37/1071487237.db2.gz NTMIEALFXZMEOU-UHFFFAOYSA-N -1 1 620.964 5.641 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cccc(Cl)c4Cl)S(C)(=O)=O)cc3)cc2)cc1Cl ZINC000408712212 1071487844 /nfs/dbraw/zinc/48/78/44/1071487844.db2.gz SPNCSKFZGGGJAD-UHFFFAOYSA-N -1 1 653.009 6.975 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1Cl ZINC000408712209 1071487950 /nfs/dbraw/zinc/48/79/50/1071487950.db2.gz SJVHPSLTZJHFAZ-UHFFFAOYSA-N -1 1 584.547 5.596 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408712207 1071487978 /nfs/dbraw/zinc/48/79/78/1071487978.db2.gz RUUBQHQHELHFGW-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000408712280 1071489551 /nfs/dbraw/zinc/48/95/51/1071489551.db2.gz HCQUOGDENLNFDN-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712139 1071490315 /nfs/dbraw/zinc/49/03/15/1071490315.db2.gz CKTRPGVPUCIWOW-UHFFFAOYSA-N -1 1 589.617 5.868 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711281 1071495488 /nfs/dbraw/zinc/49/54/88/1071495488.db2.gz DAEPTVKXXDAJJC-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711312 1071496262 /nfs/dbraw/zinc/49/62/62/1071496262.db2.gz GWUILHAWXCCDKL-CQSZACIVSA-N -1 1 640.489 5.615 40 0 KKABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711379 1071498846 /nfs/dbraw/zinc/49/88/46/1071498846.db2.gz PTPYEDPTMYKZGN-UHFFFAOYSA-N -1 1 654.516 6.007 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000408711219 1071501692 /nfs/dbraw/zinc/50/16/92/1071501692.db2.gz JASSDXOQQJBHSB-UHFFFAOYSA-N -1 1 564.129 5.151 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cccc(Cl)c4Cl)S(C)(=O)=O)cc3)cc2)c1 ZINC000408711234 1071501850 /nfs/dbraw/zinc/50/18/50/1071501850.db2.gz KHCIRSJHSVNFGX-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711241 1071502650 /nfs/dbraw/zinc/50/26/50/1071502650.db2.gz LOAKRMKOEFHEGE-UHFFFAOYSA-N -1 1 600.546 5.296 40 0 KKABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000408711105 1071504980 /nfs/dbraw/zinc/50/49/80/1071504980.db2.gz DEZPPKUPOIIKIN-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408994763 1071556838 /nfs/dbraw/zinc/55/68/38/1071556838.db2.gz IQFBQNUMKFZOCX-LKWZWFHSSA-N -1 1 729.434 6.132 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCc1ccc(Br)cc1 ZINC000408735414 1071560745 /nfs/dbraw/zinc/56/07/45/1071560745.db2.gz RPKGTFREVDJRSR-UHFFFAOYSA-N -1 1 511.441 6.683 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409095327 1072240481 /nfs/dbraw/zinc/24/04/81/1072240481.db2.gz BVDYOIBPEOBJAK-VTAYSDJUSA-N -1 1 721.655 6.051 40 0 KKABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409101946 1072312245 /nfs/dbraw/zinc/31/22/45/1072312245.db2.gz ZKOCNMQJYBYKJK-OGYQGKGRSA-N -1 1 693.601 5.271 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409101104 1072315999 /nfs/dbraw/zinc/31/59/99/1072315999.db2.gz VGQOEENYSSQTLG-KKPFIQQYSA-N -1 1 654.770 5.271 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409105944 1072346100 /nfs/dbraw/zinc/34/61/00/1072346100.db2.gz PMUAVWSQYKVGQG-QYZZTEPHSA-N -1 1 638.771 5.607 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000409105378 1072349744 /nfs/dbraw/zinc/34/97/44/1072349744.db2.gz NCNMDCMMXORYRU-IXZAGVDLSA-N -1 1 675.586 5.246 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)n1 ZINC000409104379 1072355288 /nfs/dbraw/zinc/35/52/88/1072355288.db2.gz YNXXMNFAIKWBFB-UJVJZFQOSA-N -1 1 623.760 5.546 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409339509 1072476374 /nfs/dbraw/zinc/47/63/74/1072476374.db2.gz JHRXZLBPFPKECA-UHFFFAOYSA-N -1 1 597.690 5.086 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000409347668 1072563475 /nfs/dbraw/zinc/56/34/75/1072563475.db2.gz QSFVTUVCMJEBFM-UHFFFAOYSA-N -1 1 584.119 5.835 40 0 KKABMM CCCOc1ccc2ccccc2c1C(c1c(=O)[nH][n-]c1-c1ccc(C)cc1)c1c(=O)[nH][nH]c1-c1ccc(C)cc1 ZINC000409373623 1072624870 /nfs/dbraw/zinc/62/48/70/1072624870.db2.gz XWXRFFYDDTYIPB-UHFFFAOYSA-N -1 1 544.655 7.617 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409374274 1072638123 /nfs/dbraw/zinc/63/81/23/1072638123.db2.gz ZZCZVSLWYAGBSE-UHFFFAOYSA-N -1 1 701.621 9.178 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1 ZINC000409372619 1072644939 /nfs/dbraw/zinc/64/49/39/1072644939.db2.gz NNBHGBNPFSGVES-UHFFFAOYSA-N -1 1 791.484 9.020 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000409371652 1072648273 /nfs/dbraw/zinc/64/82/73/1072648273.db2.gz JCYVYKDHLRRPLT-UHFFFAOYSA-N -1 1 577.084 7.907 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000409371687 1072648334 /nfs/dbraw/zinc/64/83/34/1072648334.db2.gz JQIVRVMEFRYKSP-UHFFFAOYSA-N -1 1 621.137 8.306 40 0 KKABMM CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Br)c3)C2=O)ccc1Cl ZINC000409166090 1072650051 /nfs/dbraw/zinc/65/00/51/1072650051.db2.gz BLORFVSSGPRZCZ-VXLYETTFSA-N -1 1 567.845 5.440 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409369234 1072659722 /nfs/dbraw/zinc/65/97/22/1072659722.db2.gz IODXPSFMUZVFBU-UHFFFAOYSA-N -1 1 734.876 9.432 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 ZINC000409369190 1072659791 /nfs/dbraw/zinc/65/97/91/1072659791.db2.gz HFDPGKPATVMYBY-UHFFFAOYSA-N -1 1 873.327 9.226 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 ZINC000409369064 1072660975 /nfs/dbraw/zinc/66/09/75/1072660975.db2.gz ZTOROIDVMUVCET-UHFFFAOYSA-N -1 1 700.431 8.779 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000409368242 1072666069 /nfs/dbraw/zinc/66/60/69/1072666069.db2.gz VKUDIKNTVUPAHN-UHFFFAOYSA-N -1 1 542.639 7.254 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000409367801 1072668753 /nfs/dbraw/zinc/66/87/53/1072668753.db2.gz GRBJVSSTVIOGNY-UHFFFAOYSA-N -1 1 621.535 8.017 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2)cc1 ZINC000409166379 1072704130 /nfs/dbraw/zinc/70/41/30/1072704130.db2.gz FGUQIULBDFYKBP-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409176795 1072706435 /nfs/dbraw/zinc/70/64/35/1072706435.db2.gz YAEZPGHWKCFKAC-UHFFFAOYSA-N -1 1 681.961 5.579 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409175981 1072714488 /nfs/dbraw/zinc/71/44/88/1072714488.db2.gz GTHLXXSUMLIZEF-UHFFFAOYSA-N -1 1 702.560 7.046 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cccc(Cl)c2)cc1 ZINC000409172091 1072735289 /nfs/dbraw/zinc/73/52/89/1072735289.db2.gz HEKYTDSYWVTDQC-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)cc1Cl ZINC000409171969 1072736770 /nfs/dbraw/zinc/73/67/70/1072736770.db2.gz FXHGPTPPJZVVGK-WJOKGBTCSA-N -1 1 606.169 6.518 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409169359 1072750190 /nfs/dbraw/zinc/75/01/90/1072750190.db2.gz XVEKLVYJGVDZLN-UHFFFAOYSA-N -1 1 614.145 5.682 40 0 KKABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000409167419 1072760216 /nfs/dbraw/zinc/76/02/16/1072760216.db2.gz KAZCLKYFACEWFK-UHFFFAOYSA-N -1 1 647.706 5.385 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409412622 1072787048 /nfs/dbraw/zinc/78/70/48/1072787048.db2.gz YRLSZLXQIVOIFJ-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409182657 1072789301 /nfs/dbraw/zinc/78/93/01/1072789301.db2.gz MTCCIKKNFYDFCT-UHFFFAOYSA-N -1 1 559.953 5.912 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000409411804 1072792136 /nfs/dbraw/zinc/79/21/36/1072792136.db2.gz LLOROOXYOMVQPT-UHFFFAOYSA-N -1 1 634.563 5.778 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2)cc1OC ZINC000409411793 1072792310 /nfs/dbraw/zinc/79/23/10/1072792310.db2.gz ZTFVVPGQUCFDMW-UHFFFAOYSA-N -1 1 650.562 5.889 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1Cl ZINC000409411201 1072796826 /nfs/dbraw/zinc/79/68/26/1072796826.db2.gz URQVNTBQRRHHEK-UHFFFAOYSA-N -1 1 614.145 5.433 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3Cl)ccc2C)cc1C ZINC000409410606 1072804037 /nfs/dbraw/zinc/80/40/37/1072804037.db2.gz YHZOIFTUBPJIQY-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2C)cc1C ZINC000409410374 1072804516 /nfs/dbraw/zinc/80/45/16/1072804516.db2.gz VWDICVPCTBDEDU-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cccc(Cl)c2)cc1 ZINC000409180313 1072804817 /nfs/dbraw/zinc/80/48/17/1072804817.db2.gz YGFTYUGZMLIAIV-UHFFFAOYSA-N -1 1 636.151 6.137 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3)cc2)cc1 ZINC000409409609 1072809251 /nfs/dbraw/zinc/80/92/51/1072809251.db2.gz IUJLETHHAFKTJL-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cc2)cc1 ZINC000409409326 1072811096 /nfs/dbraw/zinc/81/10/96/1072811096.db2.gz HODCJWPDVULDCT-UHFFFAOYSA-N -1 1 513.619 5.021 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2C)c1 ZINC000409409079 1072812569 /nfs/dbraw/zinc/81/25/69/1072812569.db2.gz MPTZWSUUPRFLNO-UHFFFAOYSA-N -1 1 502.661 6.816 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccc(F)cc2)cc1OC ZINC000409179012 1072813266 /nfs/dbraw/zinc/81/32/66/1072813266.db2.gz JIUFCPCIGGORJQ-UHFFFAOYSA-N -1 1 648.134 5.440 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)c1 ZINC000409408324 1072816486 /nfs/dbraw/zinc/81/64/86/1072816486.db2.gz BQCHSTVKAKNCPH-UHFFFAOYSA-N -1 1 519.667 5.727 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000409407324 1072821353 /nfs/dbraw/zinc/82/13/53/1072821353.db2.gz FGTMZVSQPVLUQJ-UHFFFAOYSA-N -1 1 654.597 7.090 40 0 KKABMM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409189080 1072879477 /nfs/dbraw/zinc/87/94/77/1072879477.db2.gz CMENXJLWWYNRPN-IDUWFGFVSA-N -1 1 545.242 5.988 40 0 KKABMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409189080 1072879489 /nfs/dbraw/zinc/87/94/89/1072879489.db2.gz CMENXJLWWYNRPN-IDUWFGFVSA-N -1 1 545.242 5.988 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3c2c1 ZINC000409223639 1072986694 /nfs/dbraw/zinc/98/66/94/1072986694.db2.gz IZTCJZJFQFFSHN-UHFFFAOYSA-N -1 1 575.495 7.111 40 0 KKABMM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000409238381 1073120283 /nfs/dbraw/zinc/12/02/83/1073120283.db2.gz ZEBPUJVYAYKFPP-VGOFMYFVSA-N -1 1 574.222 5.130 40 0 KKABMM COc1c(I)cc(I)cc1-c1nc2sc3c(c2c(=O)[n-]1)CCCC3 ZINC000409252909 1073184643 /nfs/dbraw/zinc/18/46/43/1073184643.db2.gz ULLRTKZFUNEXFT-UHFFFAOYSA-N -1 1 564.186 5.161 40 0 KKABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)N1c2ccccc2Sc2ccccc21 ZINC000100378429 193909858 /nfs/dbraw/zinc/90/98/58/193909858.db2.gz XXKZDWFQSXSUHN-UHFFFAOYSA-N -1 1 572.693 6.459 40 0 KKABMM COc1cccc2c(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])c(-c3ccccc3)[nH]c21 ZINC000408635179 195483707 /nfs/dbraw/zinc/48/37/07/195483707.db2.gz XRENKHVIRHDGJW-STZFKDTASA-N -1 1 502.983 6.500 40 0 KKABMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000000826741 551544859 /nfs/dbraw/zinc/54/48/59/551544859.db2.gz KITZQLXVKTXFJM-UHFFFAOYSA-N -1 1 533.458 6.262 40 0 KKABMM COc1ccc(-n2c(SCC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nnc2-c2ccncc2)cc1 ZINC000001468053 551680166 /nfs/dbraw/zinc/68/01/66/551680166.db2.gz OIUKGNSXYQKSON-UHFFFAOYSA-N -1 1 557.657 5.114 40 0 KKABMM CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1cc(OC)c([O-])c(Br)c1Br ZINC000002773868 552185824 /nfs/dbraw/zinc/18/58/24/552185824.db2.gz WWAOOBNYKVYZCQ-SFHVURJKSA-N -1 1 540.208 5.034 40 0 KKABMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3c2c1 ZINC000005942051 552514461 /nfs/dbraw/zinc/51/44/61/552514461.db2.gz YZBQFKKYWNLWFO-UHFFFAOYSA-N -1 1 514.531 5.466 40 0 KKABMM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000008384474 552989308 /nfs/dbraw/zinc/98/93/08/552989308.db2.gz PDHCXPNYOYLZAT-UHFFFAOYSA-N -1 1 730.186 7.816 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1F)c1cccc(Cl)c1 ZINC000008810241 553148238 /nfs/dbraw/zinc/14/82/38/553148238.db2.gz JEMDIFCJPWZVGB-UHFFFAOYSA-N -1 1 507.292 6.204 40 0 KKABMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)cc2Sc1nc2ccccc2s1 ZINC000008859966 553169876 /nfs/dbraw/zinc/16/98/76/553169876.db2.gz WXAXWXHNKDORLY-UHFFFAOYSA-N -1 1 512.609 6.645 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)c2C)cc1 ZINC000010314369 553332827 /nfs/dbraw/zinc/33/28/27/553332827.db2.gz CPLBWWBOIICBIQ-QFIPXVFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314661 553333051 /nfs/dbraw/zinc/33/30/51/553333051.db2.gz QCGDZGMPVHQFPN-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3c(Cl)cccc3Cl)c2C)cc1 ZINC000010327917 553333840 /nfs/dbraw/zinc/33/38/40/553333840.db2.gz QKEIMMWRFBXZDV-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000010336396 553334590 /nfs/dbraw/zinc/33/45/90/553334590.db2.gz ICMRUBRWEQUUTH-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cc2C)cc1 ZINC000010358214 553335126 /nfs/dbraw/zinc/33/51/26/553335126.db2.gz CEKYRDJUQMGHQG-UHFFFAOYSA-N -1 1 527.646 5.329 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000010359311 553335162 /nfs/dbraw/zinc/33/51/62/553335162.db2.gz VNNPCZLFMDZDBC-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)ccc2C)cc1 ZINC000010359708 553335462 /nfs/dbraw/zinc/33/54/62/553335462.db2.gz AGTMDMCJWVGTEG-UHFFFAOYSA-N -1 1 513.619 5.287 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1Cl ZINC000014154209 553503977 /nfs/dbraw/zinc/50/39/77/553503977.db2.gz RFIOVKOWJZVYKS-UHFFFAOYSA-N -1 1 503.001 5.103 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2C)c1 ZINC000014154740 553504616 /nfs/dbraw/zinc/50/46/16/553504616.db2.gz VUKZROBRDVYWTN-UHFFFAOYSA-N -1 1 507.011 6.802 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)c1 ZINC000014155294 553505009 /nfs/dbraw/zinc/50/50/09/553505009.db2.gz XBLLQDXEYRWLBV-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c1)CCCC2 ZINC000014155657 553505360 /nfs/dbraw/zinc/50/53/60/553505360.db2.gz YOCXACMFDOMOTC-UHFFFAOYSA-N -1 1 526.680 5.782 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(F)cccc3Cl)ccc2C)c1 ZINC000014155900 553505540 /nfs/dbraw/zinc/50/55/40/553505540.db2.gz UDKIZXWLDJYTAW-UHFFFAOYSA-N -1 1 507.052 5.560 40 0 KKABMM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000014275030 553507940 /nfs/dbraw/zinc/50/79/40/553507940.db2.gz CBWQMFGTPZQWJC-UHFFFAOYSA-N -1 1 502.379 5.951 40 0 KKABMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000014398055 553515097 /nfs/dbraw/zinc/51/50/97/553515097.db2.gz MBGLCUMJJZDQBI-CYBMUJFWSA-N -1 1 516.900 5.705 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000020488507 553659397 /nfs/dbraw/zinc/65/93/97/553659397.db2.gz KJQQRTSRSJMFIO-UHFFFAOYSA-N -1 1 526.658 6.577 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(F)c(F)c1F ZINC000020023357 553662833 /nfs/dbraw/zinc/66/28/33/553662833.db2.gz IEBWXPZRKABKGZ-UHFFFAOYSA-N -1 1 505.301 5.229 40 0 KKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)cc1 ZINC000020023321 553662860 /nfs/dbraw/zinc/66/28/60/553662860.db2.gz AOJPSWNVIDIWTJ-CQSZACIVSA-N -1 1 513.830 5.704 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N[C@H](C)c3cccc(Br)c3)cc2)cc1 ZINC000020024299 553663133 /nfs/dbraw/zinc/66/31/33/553663133.db2.gz MKGCDZVWUBEART-GOSISDBHSA-N -1 1 501.446 5.368 40 0 KKABMM CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183232 553666427 /nfs/dbraw/zinc/66/64/27/553666427.db2.gz TVGNSDOGCLLGGR-VLIKTLTBSA-N -1 1 694.953 10.888 40 0 KKABMM CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183232 553666428 /nfs/dbraw/zinc/66/64/28/553666428.db2.gz TVGNSDOGCLLGGR-VLIKTLTBSA-N -1 1 694.953 10.888 40 0 KKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020036056 553667632 /nfs/dbraw/zinc/66/76/32/553667632.db2.gz GUJRZNGSXPLJGE-OAQYLSRUSA-N -1 1 512.937 5.956 40 0 KKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020038982 553668372 /nfs/dbraw/zinc/66/83/72/553668372.db2.gz YUBLECOJSGTZHV-JOCHJYFZSA-N -1 1 509.480 6.612 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1OCC ZINC000020050454 553670859 /nfs/dbraw/zinc/67/08/59/553670859.db2.gz LCTPRRUQARYKIR-UHFFFAOYSA-N -1 1 503.020 5.510 40 0 KKABMM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020060664 553671946 /nfs/dbraw/zinc/67/19/46/553671946.db2.gz BAPNUFDNMBQXRX-UHFFFAOYSA-N -1 1 514.978 6.281 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1OC ZINC000020104765 553689087 /nfs/dbraw/zinc/68/90/87/553689087.db2.gz SCQVPMZFENRBAV-HNNXBMFYSA-N -1 1 507.033 5.277 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1OC ZINC000020104767 553689160 /nfs/dbraw/zinc/68/91/60/553689160.db2.gz SCQVPMZFENRBAV-OAHLLOKOSA-N -1 1 507.033 5.277 40 0 KKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020105184 553689371 /nfs/dbraw/zinc/68/93/71/553689371.db2.gz VQVRJYVUJKJQGD-UHFFFAOYSA-N -1 1 511.397 5.664 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)c2)cc1 ZINC000020106491 553690012 /nfs/dbraw/zinc/69/00/12/553690012.db2.gz ZRRKRTAQOAHVPV-MHZLTWQESA-N -1 1 505.039 6.277 40 0 KKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020110375 553693448 /nfs/dbraw/zinc/69/34/48/553693448.db2.gz NNOUWOAJDPDIPB-HXUWFJFHSA-N -1 1 512.937 5.956 40 0 KKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000020766439 553697229 /nfs/dbraw/zinc/69/72/29/553697229.db2.gz DMGIITSMQZJLBN-UHFFFAOYSA-N -1 1 505.821 5.496 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766615 553697539 /nfs/dbraw/zinc/69/75/39/553697539.db2.gz CWWWIEGCKPKPES-UHFFFAOYSA-N -1 1 527.042 5.691 40 0 KKABMM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000020767183 553697555 /nfs/dbraw/zinc/69/75/55/553697555.db2.gz HMUPQKWSUCWVBV-UHFFFAOYSA-N -1 1 505.821 5.496 40 0 KKABMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc(OC)c1OC ZINC000021305663 553709175 /nfs/dbraw/zinc/70/91/75/553709175.db2.gz PAWQBHIPTABXNA-UHFFFAOYSA-N -1 1 511.383 5.072 40 0 KKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OCC ZINC000021306418 553709492 /nfs/dbraw/zinc/70/94/92/553709492.db2.gz NOQRFDKZAZZDCC-UHFFFAOYSA-N -1 1 509.411 5.844 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110086 553726412 /nfs/dbraw/zinc/72/64/12/553726412.db2.gz IJVYHGVISAJGIM-UHFFFAOYSA-N -1 1 501.439 6.636 40 0 KKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022110829 553726826 /nfs/dbraw/zinc/72/68/26/553726826.db2.gz CDMSGAFIPKOTBQ-UHFFFAOYSA-N -1 1 502.825 5.741 40 0 KKABMM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022533897 553745857 /nfs/dbraw/zinc/74/58/57/553745857.db2.gz FNRNCKDIAHTRDH-QGZVFWFLSA-N -1 1 500.020 5.230 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951501 553809414 /nfs/dbraw/zinc/80/94/14/553809414.db2.gz KUJHYLHIHDIPKG-LVCYWYKZSA-N -1 1 517.262 5.496 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951579 553809955 /nfs/dbraw/zinc/80/99/55/553809955.db2.gz PTFOVOBVFXEMIF-LVCYWYKZSA-N -1 1 533.717 6.011 40 0 KKABMM Cc1c(N(C)S(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000029503419 553846677 /nfs/dbraw/zinc/84/66/77/553846677.db2.gz LJHHMZCWEHNAND-UHFFFAOYSA-N -1 1 680.208 5.324 40 0 KKABMM CCOc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1OCC ZINC000030848586 553857467 /nfs/dbraw/zinc/85/74/67/553857467.db2.gz YRPALBWLDBJVLT-KRWDZBQOSA-N -1 1 503.020 5.429 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)c(Cl)c2)cc1 ZINC000030856796 553858622 /nfs/dbraw/zinc/85/86/22/553858622.db2.gz UTPWOZRYGKSLRR-UHFFFAOYSA-N -1 1 526.058 5.764 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 ZINC000030860319 553858923 /nfs/dbraw/zinc/85/89/23/553858923.db2.gz BTGGSMJKUPRRBX-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000100093016 554213513 /nfs/dbraw/zinc/21/35/13/554213513.db2.gz NQRQHZFYSKJADE-UHFFFAOYSA-N -1 1 616.976 5.628 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)c1 ZINC000100094103 554214635 /nfs/dbraw/zinc/21/46/35/554214635.db2.gz IAHDAJSCXNYBHL-IBGZPJMESA-N -1 1 596.558 5.283 40 0 KKABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000100096309 554217470 /nfs/dbraw/zinc/21/74/70/554217470.db2.gz WFVQFYQUTINASJ-UHFFFAOYSA-N -1 1 540.277 6.043 40 0 KKABMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)c4ccc5c(c4)CCCC5)s3)[C@H](c3ccccc3)C2)cc1 ZINC000036633762 554229780 /nfs/dbraw/zinc/22/97/80/554229780.db2.gz GXDPRJZOTARLLV-YTMVLYRLSA-N -1 1 523.658 5.996 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)cc1Cl)CCCC2 ZINC000044848602 554305014 /nfs/dbraw/zinc/30/50/14/554305014.db2.gz GCNQEYNSKRSLLR-UHFFFAOYSA-N -1 1 505.017 5.120 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044850452 554305194 /nfs/dbraw/zinc/30/51/94/554305194.db2.gz BIERIQKCRVWIJX-UHFFFAOYSA-N -1 1 518.038 5.956 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)cc3[O-])oc2c(C)c1 ZINC000059331530 554389179 /nfs/dbraw/zinc/38/91/79/554389179.db2.gz PMEZYCBULPWWTE-UHFFFAOYSA-N -1 1 523.614 6.523 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3[O-])nc2c1 ZINC000059331537 554389251 /nfs/dbraw/zinc/38/92/51/554389251.db2.gz WQYVQZKYDOKLDC-UHFFFAOYSA-N -1 1 516.406 6.205 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000059691204 554425503 /nfs/dbraw/zinc/42/55/03/554425503.db2.gz NOASGPGUUUIPEX-RPBOFIJWSA-N -1 1 561.063 5.695 40 0 KKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1ccc(Br)cc1 ZINC000059837249 554442500 /nfs/dbraw/zinc/44/25/00/554442500.db2.gz LTVIKNJAMGQUAC-AWEZNQCLSA-N -1 1 558.281 5.813 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059852414 554451291 /nfs/dbraw/zinc/45/12/91/554451291.db2.gz PHFAVGCKRBEUIH-UHFFFAOYSA-N -1 1 560.028 5.333 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059852510 554451573 /nfs/dbraw/zinc/45/15/73/554451573.db2.gz DQLOVWCVCPNVMT-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059852662 554452090 /nfs/dbraw/zinc/45/20/90/554452090.db2.gz PWVKKDKPAVXLQZ-JOCHJYFZSA-N -1 1 540.991 6.573 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000059852673 554452132 /nfs/dbraw/zinc/45/21/32/554452132.db2.gz KNKNSFDKAJGXLU-SANMLTNESA-N -1 1 591.755 5.254 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)c1 ZINC000059852892 554452886 /nfs/dbraw/zinc/45/28/86/554452886.db2.gz SIHZFNNFFQLOSI-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000059852856 554453011 /nfs/dbraw/zinc/45/30/11/554453011.db2.gz HCPGDWNTYCVJIS-UHFFFAOYSA-N -1 1 543.925 6.419 40 0 KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059858271 554455597 /nfs/dbraw/zinc/45/55/97/554455597.db2.gz NCGPYDSUQORVSE-UHFFFAOYSA-N -1 1 556.065 5.218 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000059858545 554455995 /nfs/dbraw/zinc/45/59/95/554455995.db2.gz NFNHYLJNIZHFFK-UHFFFAOYSA-N -1 1 603.644 5.649 40 0 KKABMM O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000059882941 554459289 /nfs/dbraw/zinc/45/92/89/554459289.db2.gz POFPPWHKOPTHBK-UHFFFAOYSA-N -1 1 590.510 5.628 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000059883077 554459640 /nfs/dbraw/zinc/45/96/40/554459640.db2.gz SRLVLLWEMFCFDN-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cccc(Cl)c2C)cc1 ZINC000059883668 554460835 /nfs/dbraw/zinc/46/08/35/554460835.db2.gz SUZZUYCNPRPMBS-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059884444 554462418 /nfs/dbraw/zinc/46/24/18/554462418.db2.gz OZUJCPGZGWMVNW-UHFFFAOYSA-N -1 1 549.423 6.685 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1)c1ccccc1 ZINC000059884625 554463122 /nfs/dbraw/zinc/46/31/22/554463122.db2.gz WHHGHALFCLXVOU-UHFFFAOYSA-N -1 1 603.644 5.725 40 0 KKABMM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000059885615 554464700 /nfs/dbraw/zinc/46/47/00/554464700.db2.gz RZNRLJSNVNMWKB-UHFFFAOYSA-N -1 1 543.032 6.648 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000059886014 554465729 /nfs/dbraw/zinc/46/57/29/554465729.db2.gz CLIMSJZENBOTFO-UHFFFAOYSA-N -1 1 625.794 5.750 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccccc2C)cc1 ZINC000059886265 554466296 /nfs/dbraw/zinc/46/62/96/554466296.db2.gz DRGQLSUYLMBQFX-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059886375 554466692 /nfs/dbraw/zinc/46/66/92/554466692.db2.gz URAWSHVUAYYNQK-UHFFFAOYSA-N -1 1 593.727 5.337 40 0 KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059886762 554467356 /nfs/dbraw/zinc/46/73/56/554467356.db2.gz GENZOSSYPCARRI-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887240 554468457 /nfs/dbraw/zinc/46/84/57/554468457.db2.gz MQPAMMKYULTKLW-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccccc2)cc1 ZINC000059887927 554470039 /nfs/dbraw/zinc/47/00/39/554470039.db2.gz KVBKXMGCVBGQRV-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000059888220 554470661 /nfs/dbraw/zinc/47/06/61/554470661.db2.gz SCLWIJPHNXEJBP-UHFFFAOYSA-N -1 1 588.082 5.422 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059888476 554471366 /nfs/dbraw/zinc/47/13/66/554471366.db2.gz ACZGSDYXZMAMLJ-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059889042 554472106 /nfs/dbraw/zinc/47/21/06/554472106.db2.gz PJWCZVQLYMMKIZ-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000059923219 554473135 /nfs/dbraw/zinc/47/31/35/554473135.db2.gz SSZCMCNYSLTKIB-HSZRJFAPSA-N -1 1 590.167 5.062 40 0 KKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059924270 554474999 /nfs/dbraw/zinc/47/49/99/554474999.db2.gz ZJGWXFCCNGTSSK-QFIPXVFZSA-N -1 1 526.964 6.264 40 0 KKABMM O=C(NCCSCc1c(Cl)cccc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000060028303 554492078 /nfs/dbraw/zinc/49/20/78/554492078.db2.gz FGLGJFZXPWBVIV-UHFFFAOYSA-N -1 1 529.898 6.111 40 0 KKABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000060028569 554493537 /nfs/dbraw/zinc/49/35/37/554493537.db2.gz JNROVHCCKUZGGK-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060028855 554496343 /nfs/dbraw/zinc/49/63/43/554496343.db2.gz AJVGGWXAMINXGO-QFIPXVFZSA-N -1 1 540.991 6.573 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)c(Cl)c2)cc1 ZINC000060060547 554499712 /nfs/dbraw/zinc/49/97/12/554499712.db2.gz YSMAZRYUVRWNPV-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000060060848 554501013 /nfs/dbraw/zinc/50/10/13/554501013.db2.gz ALYKENWAKCFVCW-UHFFFAOYSA-N -1 1 610.928 6.501 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)c(C)c1 ZINC000060061012 554501598 /nfs/dbraw/zinc/50/15/98/554501598.db2.gz YVOXLKYDWLZHCC-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)cc2Cl ZINC000101027748 554564280 /nfs/dbraw/zinc/56/42/80/554564280.db2.gz DUTNJNQVFZCJFN-UHFFFAOYSA-N -1 1 533.433 6.232 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(Br)cc3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000101027809 554564285 /nfs/dbraw/zinc/56/42/85/554564285.db2.gz PNOZUVCDSAXPEI-UHFFFAOYSA-N -1 1 581.470 7.698 40 0 KKABMM O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356295 554915160 /nfs/dbraw/zinc/91/51/60/554915160.db2.gz VBFRIVKSHWYMBD-GFCCVEGCSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356429 554915463 /nfs/dbraw/zinc/91/54/63/554915463.db2.gz SZINMFWLQUZXSA-VIFPVBQESA-N -1 1 513.168 5.192 40 0 KKABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102758013 555050216 /nfs/dbraw/zinc/05/02/16/555050216.db2.gz YEQKIUHBYOXGIP-MJSOWUPRSA-N -1 1 534.612 6.024 40 0 KKABMM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102768167 555055831 /nfs/dbraw/zinc/05/58/31/555055831.db2.gz QQLFJLVMQCIPOZ-OZNIXHKMSA-N -1 1 500.595 5.542 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102768152 555055861 /nfs/dbraw/zinc/05/58/61/555055861.db2.gz PFQZZQCRQNQZAQ-SSBOKUKZSA-N -1 1 514.622 5.932 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)c4ccc(-c5ccccc5)cc4)sc3c2)cc1 ZINC000103768429 555473912 /nfs/dbraw/zinc/47/39/12/555473912.db2.gz UZEQYCBZGITFCP-UHFFFAOYSA-N -1 1 530.696 7.048 40 0 KKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000103768411 555473993 /nfs/dbraw/zinc/47/39/93/555473993.db2.gz SUMPYQQCYZLRMB-UHFFFAOYSA-N -1 1 558.028 6.500 40 0 KKABMM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000219223014 562878008 /nfs/dbraw/zinc/87/80/08/562878008.db2.gz LCGNLQSOSJFLKR-UHFFFAOYSA-N -1 1 552.965 5.245 40 0 in-vitro KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc([O-])c(Br)c3)sc2=N1 ZINC000104677314 571385415 /nfs/dbraw/zinc/38/54/15/571385415.db2.gz AGNOHGFCFXSDBS-LWUPDDLQSA-N -1 1 569.521 5.170 40 0 KKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])nc2c1 ZINC000105304721 571393336 /nfs/dbraw/zinc/39/33/36/571393336.db2.gz RPCUMJCOOBGCLH-UHFFFAOYSA-N -1 1 566.466 8.017 40 0 KKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3[O-])nc2c1 ZINC000105309877 571395732 /nfs/dbraw/zinc/39/57/32/571395732.db2.gz PVGPWYRZZZQSBU-WEVVVXLNSA-N -1 1 564.450 7.602 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3[O-])oc2c1 ZINC000105310403 571396018 /nfs/dbraw/zinc/39/60/18/571396018.db2.gz OWADEHSYFDWBJM-WEVVVXLNSA-N -1 1 564.450 7.602 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3[O-])oc2c(C)c1 ZINC000105310504 571396161 /nfs/dbraw/zinc/39/61/61/571396161.db2.gz XSYDTJANWLGHFE-UHFFFAOYSA-N -1 1 552.439 7.511 40 0 KKABMM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000105310686 571396175 /nfs/dbraw/zinc/39/61/75/571396175.db2.gz BPDGTYSSNQOEGM-BJMVGYQFSA-N -1 1 584.868 7.947 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc2C)c1 ZINC000105994391 571410048 /nfs/dbraw/zinc/41/00/48/571410048.db2.gz RJCHIILGMKVCOH-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000106027834 571411037 /nfs/dbraw/zinc/41/10/37/571411037.db2.gz LSDYFWSKMIKBFG-UHFFFAOYSA-N -1 1 600.118 5.125 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)ccc2C)c1 ZINC000106030847 571411056 /nfs/dbraw/zinc/41/10/56/571411056.db2.gz YDNVKRISRLCRBP-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000106080652 571411155 /nfs/dbraw/zinc/41/11/55/571411155.db2.gz AAAPVDMGYNLEML-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(I)cc(I)c3[O-])C2=O)cc1 ZINC000106783982 571418389 /nfs/dbraw/zinc/41/83/89/571418389.db2.gz ABZREUJBVURQTQ-SXGWCWSVSA-N -1 1 607.207 5.025 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000107731544 571421065 /nfs/dbraw/zinc/42/10/65/571421065.db2.gz OXGYTFULOIZPTM-UHFFFAOYSA-N -1 1 608.500 5.767 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000108247111 571422893 /nfs/dbraw/zinc/42/28/93/571422893.db2.gz XXZDANDUQDXMST-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)ccc2C)c1C ZINC000108272675 571422901 /nfs/dbraw/zinc/42/29/01/571422901.db2.gz AGMCKUPWUAMNLL-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)ccc2C)c1C ZINC000108312266 571422996 /nfs/dbraw/zinc/42/29/96/571422996.db2.gz DFDVAIBPKIERKS-UHFFFAOYSA-N -1 1 567.664 5.605 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)ccc1C ZINC000108928428 571427608 /nfs/dbraw/zinc/42/76/08/571427608.db2.gz AMPVXCFELQBSLJ-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000109406678 571429162 /nfs/dbraw/zinc/42/91/62/571429162.db2.gz GPYMNDTYFRSKLX-MHZLTWQESA-N -1 1 612.527 5.869 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1C ZINC000109652443 571429643 /nfs/dbraw/zinc/42/96/43/571429643.db2.gz UHXSRBYKBOTXTB-UHFFFAOYSA-N -1 1 553.637 5.296 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1I ZINC000110278966 571430954 /nfs/dbraw/zinc/43/09/54/571430954.db2.gz BZPYPHNUVUNELY-UHFFFAOYSA-N -1 1 613.282 5.208 40 0 KKABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000110246894 571431021 /nfs/dbraw/zinc/43/10/21/571431021.db2.gz LEOAVCKYFIHWEN-SFHVURJKSA-N -1 1 558.081 5.087 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)ccc2C)c1 ZINC000110290167 571431040 /nfs/dbraw/zinc/43/10/40/571431040.db2.gz DUAUUGCSQOOAFS-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc(C)c1Cl ZINC000112236589 571434634 /nfs/dbraw/zinc/43/46/34/571434634.db2.gz PDXJFNOYPWWMOS-HNNXBMFYSA-N -1 1 527.857 6.470 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000112236712 571434699 /nfs/dbraw/zinc/43/46/99/571434699.db2.gz QTURCYZIBANKGY-UHFFFAOYSA-N -1 1 604.965 5.941 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000112236851 571434745 /nfs/dbraw/zinc/43/47/45/571434745.db2.gz GISBGUOFEQVAMP-UHFFFAOYSA-N -1 1 584.547 5.596 40 0 KKABMM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000112257036 571437718 /nfs/dbraw/zinc/43/77/18/571437718.db2.gz VGCHKIYSLAUHFL-CQSZACIVSA-N -1 1 528.936 5.574 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1F)c1ccc(Cl)cc1Cl ZINC000113511666 571439398 /nfs/dbraw/zinc/43/93/98/571439398.db2.gz JASCHXBUNHTWPH-UHFFFAOYSA-N -1 1 565.191 5.790 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1C ZINC000113619858 571440999 /nfs/dbraw/zinc/44/09/99/571440999.db2.gz SHDGZRNWZFJOLZ-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1C ZINC000113621132 571441213 /nfs/dbraw/zinc/44/12/13/571441213.db2.gz FSSFWGIKOPNGOD-UHFFFAOYSA-N -1 1 565.717 5.442 40 0 KKABMM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000139729640 571453786 /nfs/dbraw/zinc/45/37/86/571453786.db2.gz MLEHAEKBCYNDNP-UHFFFAOYSA-N -1 1 560.322 6.429 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)c2)cc1 ZINC000140114265 571455145 /nfs/dbraw/zinc/45/51/45/571455145.db2.gz DQWUVMSSJFWHLP-UHFFFAOYSA-N -1 1 576.118 7.251 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)cc1Cl ZINC000140130714 571455377 /nfs/dbraw/zinc/45/53/77/571455377.db2.gz RJWJNHIPCINITK-UHFFFAOYSA-N -1 1 562.113 5.017 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000140369239 571455826 /nfs/dbraw/zinc/45/58/26/571455826.db2.gz UMKJTUWCRSNHTC-UHFFFAOYSA-N -1 1 583.529 6.673 40 0 KKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1C(C)C ZINC000223341385 571463040 /nfs/dbraw/zinc/46/30/40/571463040.db2.gz OCMUNILCEYNSGQ-SFHVURJKSA-N -1 1 501.048 6.072 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1NC(=O)C(C)C ZINC000223343639 571463367 /nfs/dbraw/zinc/46/33/67/571463367.db2.gz ZFVHLXMRKBYDAE-UHFFFAOYSA-N -1 1 539.723 6.354 40 0 KKABMM COc1c([N-]S(=O)(=O)c2ccccc2)cc2c3c(cccc31)C/C2=C1/Cc2cc(NS(=O)(=O)c3ccccc3)c(OC)c3cccc1c23 ZINC000150384144 571468133 /nfs/dbraw/zinc/46/81/33/571468133.db2.gz HYHGSYLXLXLJBA-NVQSTNCTSA-N -1 1 674.800 7.635 40 0 KKABMM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000150388052 571470566 /nfs/dbraw/zinc/47/05/66/571470566.db2.gz WXIZXILJEQMMHV-YZPGRFBSSA-N -1 1 680.926 10.498 40 0 KKABMM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000150388052 571470567 /nfs/dbraw/zinc/47/05/67/571470567.db2.gz WXIZXILJEQMMHV-YZPGRFBSSA-N -1 1 680.926 10.498 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000150421556 571487692 /nfs/dbraw/zinc/48/76/92/571487692.db2.gz UXYQFWODCPICEU-UHFFFAOYSA-N -1 1 651.421 6.282 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cc(Cl)ccc1Cl ZINC000150422350 571488229 /nfs/dbraw/zinc/48/82/29/571488229.db2.gz QYWOPEAJCJGSHD-UHFFFAOYSA-N -1 1 624.490 5.998 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc(Cl)ccc1Cl ZINC000150423475 571488743 /nfs/dbraw/zinc/48/87/43/571488743.db2.gz QPRFXPXRJNGUPP-UHFFFAOYSA-N -1 1 658.935 6.651 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000150425400 571489743 /nfs/dbraw/zinc/48/97/43/571489743.db2.gz QMMDUGMIBBVYSM-UHFFFAOYSA-N -1 1 696.634 7.729 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000150425800 571490028 /nfs/dbraw/zinc/49/00/28/571490028.db2.gz XQKRWLPZTOJRBA-SANMLTNESA-N -1 1 652.965 6.043 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000150425796 571490051 /nfs/dbraw/zinc/49/00/51/571490051.db2.gz XQKRWLPZTOJRBA-AREMUKBSSA-N -1 1 652.965 6.043 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000150429277 571492646 /nfs/dbraw/zinc/49/26/46/571492646.db2.gz ZUEMVDLMJGGOCT-UHFFFAOYSA-N -1 1 632.591 6.128 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000150429476 571492766 /nfs/dbraw/zinc/49/27/66/571492766.db2.gz YBCPJIXALQQLPY-SFHVURJKSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000150429427 571492779 /nfs/dbraw/zinc/49/27/79/571492779.db2.gz 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571531167 /nfs/dbraw/zinc/53/11/67/571531167.db2.gz SYZYGJYOEDSNER-UHFFFAOYSA-N -1 1 501.048 5.556 40 0 KKABMM O=c1/c(=C\c2cc(I)cc(I)c2[O-])sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163215285 571533064 /nfs/dbraw/zinc/53/30/64/571533064.db2.gz CERHOZDGPZGCFV-XOBACGFXSA-N -1 1 767.224 5.996 40 0 KKABMM O=c1/c(=C/c2cc(Br)cc(I)c2[O-])sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000163215488 571533081 /nfs/dbraw/zinc/53/30/81/571533081.db2.gz SFMVKDNRNYCYMV-DKOMQPSQSA-N -1 1 720.224 6.154 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCOc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000224401505 571538179 /nfs/dbraw/zinc/53/81/79/571538179.db2.gz BZKVOHQBDZAMER-UHFFFAOYSA-N -1 1 501.048 5.556 40 0 KKABMM O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000197822908 571564678 /nfs/dbraw/zinc/56/46/78/571564678.db2.gz PDOLTNXAPXNOLR-UHFFFAOYSA-N -1 1 668.513 6.103 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000197824930 571564949 /nfs/dbraw/zinc/56/49/49/571564949.db2.gz QXQOAMXMXRJWBJ-UHFFFAOYSA-N -1 1 654.597 7.090 40 0 KKABMM O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000197824505 571564964 /nfs/dbraw/zinc/56/49/64/571564964.db2.gz JVMCDCYPHVTSHU-UHFFFAOYSA-N -1 1 692.059 7.012 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000197824420 571565059 /nfs/dbraw/zinc/56/50/59/571565059.db2.gz SNIACCBXYLLZOZ-UHFFFAOYSA-N -1 1 632.533 5.531 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000197826664 571565237 /nfs/dbraw/zinc/56/52/37/571565237.db2.gz NOOXNDXDAVGQFB-UHFFFAOYSA-N -1 1 645.759 5.800 40 0 KKABMM O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000197828755 571565386 /nfs/dbraw/zinc/56/53/86/571565386.db2.gz CPULITDAVBZGHA-UHFFFAOYSA-N -1 1 679.412 5.846 40 0 KKABMM O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000197829696 571565504 /nfs/dbraw/zinc/56/55/04/571565504.db2.gz PHRRMQGLZQYKQE-UHFFFAOYSA-N -1 1 634.961 5.737 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197830702 571565730 /nfs/dbraw/zinc/56/57/30/571565730.db2.gz ZBOZAFBEVJLKFG-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000197830176 571565745 /nfs/dbraw/zinc/56/57/45/571565745.db2.gz DIIXUXCDTUDNRP-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000198309396 571566719 /nfs/dbraw/zinc/56/67/19/571566719.db2.gz HWEHKADTYCTDKE-UHFFFAOYSA-N -1 1 631.698 6.265 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000198287086 571566734 /nfs/dbraw/zinc/56/67/34/571566734.db2.gz FRONBWQLYNCWHH-UHFFFAOYSA-N -1 1 661.427 5.737 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1)c1ccccc1 ZINC000198309251 571566778 /nfs/dbraw/zinc/56/67/78/571566778.db2.gz HDFSPAXJCBSYSK-UHFFFAOYSA-N -1 1 638.089 6.378 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000198311064 571567000 /nfs/dbraw/zinc/56/70/00/571567000.db2.gz RVCPOMWDYONTCY-UHFFFAOYSA-N -1 1 628.570 5.646 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cccc(Br)c2)cc1 ZINC000198315966 571567443 /nfs/dbraw/zinc/56/74/43/571567443.db2.gz QTEPSWVMAAFIFC-UHFFFAOYSA-N -1 1 664.603 6.546 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000198314599 571567491 /nfs/dbraw/zinc/56/74/91/571567491.db2.gz ZNAFZNFONDYMAA-UHFFFAOYSA-N -1 1 654.088 6.002 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000215925617 571588002 /nfs/dbraw/zinc/58/80/02/571588002.db2.gz UPNXEWVBVUWADT-UHFFFAOYSA-N -1 1 547.680 6.846 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000215966475 571589856 /nfs/dbraw/zinc/58/98/56/571589856.db2.gz YNRDRDCVEGUSPV-UHFFFAOYSA-N -1 1 532.065 6.346 40 0 KKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000216019409 571592068 /nfs/dbraw/zinc/59/20/68/571592068.db2.gz GGOMWUYODTWXMN-FQEVSTJZSA-N -1 1 547.382 6.609 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000216327010 571594738 /nfs/dbraw/zinc/59/47/38/571594738.db2.gz BVNHPWGJIWAQGL-QHCPKHFHSA-N -1 1 590.167 5.062 40 0 KKABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(Cl)c1 ZINC000216423383 571595945 /nfs/dbraw/zinc/59/59/45/571595945.db2.gz ADVZOGGXRUEQAM-UHFFFAOYSA-N -1 1 548.857 5.071 40 0 KKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000216430583 571596155 /nfs/dbraw/zinc/59/61/55/571596155.db2.gz AEPAJWYLDPOATF-AREMUKBSSA-N -1 1 509.027 6.399 40 0 KKABMM O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216429034 571596186 /nfs/dbraw/zinc/59/61/86/571596186.db2.gz XBBLUKPYDXZKHN-UHFFFAOYSA-N -1 1 509.052 6.685 40 0 KKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OC ZINC000216439979 571596477 /nfs/dbraw/zinc/59/64/77/571596477.db2.gz DJBWQWSTWLCENX-UHFFFAOYSA-N -1 1 561.003 5.908 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000224962536 571634314 /nfs/dbraw/zinc/63/43/14/571634314.db2.gz LMVIMHBLWXCYTA-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)c2)cc1 ZINC000224970003 571635038 /nfs/dbraw/zinc/63/50/38/571635038.db2.gz PJFJWSNZYCQKEO-UHFFFAOYSA-N -1 1 517.651 5.336 40 0 KKABMM CCn1c(=O)sc2cc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)ccc21 ZINC000225107040 571647917 /nfs/dbraw/zinc/64/79/17/571647917.db2.gz SNOOXJVDXSZENE-UHFFFAOYSA-N -1 1 502.017 5.098 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000225475077 571845412 /nfs/dbraw/zinc/84/54/12/571845412.db2.gz VMRGIWODRIFWFY-DQEYMECFSA-N -1 1 572.087 5.222 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478752 571848587 /nfs/dbraw/zinc/84/85/87/571848587.db2.gz XVFWVMVOSLANQL-IZLXSDGUSA-N -1 1 561.733 5.105 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Br)c2)cc1[N-]S(C)(=O)=O ZINC000225486839 571857617 /nfs/dbraw/zinc/85/76/17/571857617.db2.gz DBCVGQBQUXJYIA-RPBOFIJWSA-N -1 1 598.548 5.192 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(Cl)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225489254 571860034 /nfs/dbraw/zinc/86/00/34/571860034.db2.gz YVYKLFILXKNOLR-RPBOFIJWSA-N -1 1 587.148 6.036 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N-]S(C)(=O)=O ZINC000225491326 571861500 /nfs/dbraw/zinc/86/15/00/571861500.db2.gz CGEBKEQGEDOWPA-LOSJGSFVSA-N -1 1 589.526 6.206 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3C)o2)cc1[N-]S(C)(=O)=O ZINC000225491968 571861799 /nfs/dbraw/zinc/86/17/99/571861799.db2.gz AAHJMXNPXLWMOE-CLJLJLNGSA-N -1 1 569.108 5.861 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3C)o2)cc1[N-]S(C)(=O)=O ZINC000225491865 571862001 /nfs/dbraw/zinc/86/20/01/571862001.db2.gz AAHJMXNPXLWMOE-UIOOFZCWSA-N -1 1 569.108 5.861 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cc(Cl)ccc3C)o2)cc1[N-]S(C)(=O)=O ZINC000225492714 571862401 /nfs/dbraw/zinc/86/24/01/571862401.db2.gz CBGDPLAGOIABMX-CLJLJLNGSA-N -1 1 569.108 5.861 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N-]S(C)(=O)=O ZINC000225492922 571862919 /nfs/dbraw/zinc/86/29/19/571862919.db2.gz SJMLQYHXBRYAQM-FTJBHMTQSA-N -1 1 569.108 5.861 40 0 KKABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2sc1=O ZINC000225729800 572051596 /nfs/dbraw/zinc/05/15/96/572051596.db2.gz AATORDPBCKXAAC-UHFFFAOYSA-N -1 1 523.680 5.824 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(CSc4ccccc4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225785507 572067465 /nfs/dbraw/zinc/06/74/65/572067465.db2.gz OGIHTFKWWWNLHC-UHFFFAOYSA-N -1 1 553.130 6.858 40 0 KKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)c2)cc1 ZINC000225789980 572068482 /nfs/dbraw/zinc/06/84/82/572068482.db2.gz NUDIRGVKSJQCEY-UHFFFAOYSA-N -1 1 591.154 7.094 40 0 KKABMM COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)c(Br)c(Br)c1[O-] ZINC000261365701 572108388 /nfs/dbraw/zinc/10/83/88/572108388.db2.gz USOWZWSNSOLSHA-JOCHJYFZSA-O -1 1 603.316 5.641 40 0 KKABMM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1ccc(I)cc1 ZINC000226855406 572143950 /nfs/dbraw/zinc/14/39/50/572143950.db2.gz FGYFLCLMFOCMJR-UHFFFAOYSA-N -1 1 520.175 6.191 40 0 KKABMM CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000226085053 572132852 /nfs/dbraw/zinc/13/28/52/572132852.db2.gz YBXFBTRLYNALPB-UHFFFAOYSA-N -1 1 533.444 5.147 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000408542965 572211526 /nfs/dbraw/zinc/21/15/26/572211526.db2.gz BMWJMGOKMMERPA-UHFFFAOYSA-N -1 1 664.589 5.954 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)ccc2C)c1 ZINC000408542983 572211677 /nfs/dbraw/zinc/21/16/77/572211677.db2.gz BQBJQNKKPGIVOG-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c(C)c1 ZINC000408544086 572214714 /nfs/dbraw/zinc/21/47/14/572214714.db2.gz HCRWOSKFRDOTJK-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(F)cccc3Cl)ccc2C)cc1C ZINC000408545080 572217774 /nfs/dbraw/zinc/21/77/74/572217774.db2.gz OUECCEIUJXQGFV-UHFFFAOYSA-N -1 1 521.079 5.868 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)ccc2C)c1 ZINC000408545132 572217948 /nfs/dbraw/zinc/21/79/48/572217948.db2.gz PNAXVYKTTYTQDC-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)ccc2C)cc1 ZINC000408546159 572222135 /nfs/dbraw/zinc/22/21/35/572222135.db2.gz RARPTAKDKFIDBZ-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408546814 572224072 /nfs/dbraw/zinc/22/40/72/572224072.db2.gz WEXGIEQYCNADCD-UHFFFAOYSA-N -1 1 627.744 6.422 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408547384 572225542 /nfs/dbraw/zinc/22/55/42/572225542.db2.gz IZVFAMNYKUCFSI-WJOKGBTCSA-N -1 1 583.691 6.260 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408547361 572225823 /nfs/dbraw/zinc/22/58/23/572225823.db2.gz IVGMCJOTIMFYOT-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1C ZINC000408547790 572227309 /nfs/dbraw/zinc/22/73/09/572227309.db2.gz MZRHZJZJGFYXEM-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1 ZINC000408547802 572227325 /nfs/dbraw/zinc/22/73/25/572227325.db2.gz NDKXCFONIDMLMU-UHFFFAOYSA-N -1 1 579.700 5.474 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)ccc2C)c1 ZINC000408548407 572229021 /nfs/dbraw/zinc/22/90/21/572229021.db2.gz QYKBIJXDQSKSCB-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408556726 572244299 /nfs/dbraw/zinc/24/42/99/572244299.db2.gz JJBUESUGIYZGGE-UHFFFAOYSA-N -1 1 508.596 6.039 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1C(F)(F)F ZINC000408556900 572244308 /nfs/dbraw/zinc/24/43/08/572244308.db2.gz FGRFIECNUMWFJH-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408556753 572244313 /nfs/dbraw/zinc/24/43/13/572244313.db2.gz KGKDJHAXEPFMNR-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408556750 572244328 /nfs/dbraw/zinc/24/43/28/572244328.db2.gz JPZFXQGJVBAYSG-UHFFFAOYSA-N -1 1 509.809 5.554 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408556902 572244333 /nfs/dbraw/zinc/24/43/33/572244333.db2.gz FGWMBSOOQBIVEY-UHFFFAOYSA-N -1 1 559.496 7.206 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)c1ccccc1 ZINC000408559821 572246991 /nfs/dbraw/zinc/24/69/91/572246991.db2.gz MXOVXIXKZAJAFN-UHFFFAOYSA-N -1 1 504.633 6.290 40 0 KKABMM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408560394 572247428 /nfs/dbraw/zinc/24/74/28/572247428.db2.gz OWPMQWMUZORDEQ-UHFFFAOYSA-N -1 1 515.802 5.474 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000408561432 572248066 /nfs/dbraw/zinc/24/80/66/572248066.db2.gz SJTJHNBROQUVTD-UHFFFAOYSA-N -1 1 503.766 5.604 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3[O-])nc2c1 ZINC000408572294 572257678 /nfs/dbraw/zinc/25/76/78/572257678.db2.gz IOVXTPBMMQLPQL-RVDMUPIBSA-N -1 1 509.587 6.549 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000408585903 572266068 /nfs/dbraw/zinc/26/60/68/572266068.db2.gz KSEBUUJJKOPFNV-UHFFFAOYSA-N -1 1 531.030 5.749 40 0 KKABMM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408586187 572266198 /nfs/dbraw/zinc/26/61/98/572266198.db2.gz APTRLORTOLUEGW-UHFFFAOYSA-N -1 1 533.355 6.139 40 0 KKABMM CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408587521 572266503 /nfs/dbraw/zinc/26/65/03/572266503.db2.gz DKFQMGKBAODFFO-UHFFFAOYSA-N -1 1 512.937 5.197 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408587815 572266642 /nfs/dbraw/zinc/26/66/42/572266642.db2.gz CHWOZLSBISMOMB-UHFFFAOYSA-N -1 1 588.435 5.541 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000408603499 572273604 /nfs/dbraw/zinc/27/36/04/572273604.db2.gz KLKPQEQRZKWVJF-UHFFFAOYSA-N -1 1 567.029 6.020 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1OC ZINC000408606686 572274966 /nfs/dbraw/zinc/27/49/66/572274966.db2.gz LMWFWBYEJJFTES-UHFFFAOYSA-N -1 1 601.725 5.655 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408623561 572282705 /nfs/dbraw/zinc/28/27/05/572282705.db2.gz OZPPCMJEVDVEBG-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2C)c1 ZINC000408627264 572284189 /nfs/dbraw/zinc/28/41/89/572284189.db2.gz YXSDBOSJNCNROY-UHFFFAOYSA-N -1 1 528.718 7.133 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C ZINC000408630847 572286734 /nfs/dbraw/zinc/28/67/34/572286734.db2.gz DEHBSPMDRMWCCW-VYYCAZPPSA-N -1 1 580.106 7.254 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)[O-])n1 ZINC000408631230 572287097 /nfs/dbraw/zinc/28/70/97/572287097.db2.gz GOIZTINXABTOOD-UUYOSTAYSA-N -1 1 528.417 6.584 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3cccc(Cl)c3)cc2)C(=O)[O-])n1 ZINC000408631144 572287104 /nfs/dbraw/zinc/28/71/04/572287104.db2.gz FGAOCEVQZAVVJE-UUYOSTAYSA-N -1 1 528.417 6.584 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408631523 572287567 /nfs/dbraw/zinc/28/75/67/572287567.db2.gz FIGKVTQCXATCMB-QFEZKATASA-N -1 1 555.616 5.300 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)C(=O)[O-])n1 ZINC000408632545 572289002 /nfs/dbraw/zinc/28/90/02/572289002.db2.gz RDSJBUZLUDXNTE-FBHDLOMBSA-N -1 1 780.209 7.793 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(Sc4ccccc4)o3)C(=O)[O-])n2)c1 ZINC000408632542 572289053 /nfs/dbraw/zinc/28/90/53/572289053.db2.gz JNISNRPVFJROQC-UNOMPAQXSA-N -1 1 560.451 6.213 40 0 KKABMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408632667 572289106 /nfs/dbraw/zinc/28/91/06/572289106.db2.gz GQLBRSHNRXTPAP-OYKKKHCWSA-N -1 1 579.907 7.417 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OCc4cccc5ccccc54)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408632758 572289236 /nfs/dbraw/zinc/28/92/36/572289236.db2.gz KESBFCBVTRSEEX-WKIKZPBSSA-N -1 1 648.535 7.210 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)[O-])n2)c1 ZINC000408632787 572289244 /nfs/dbraw/zinc/28/92/44/572289244.db2.gz KLPOIWAVKBYLMR-RMORIDSASA-N -1 1 558.443 6.593 40 0 KKABMM COc1cccc2c(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])c(-c3ccccc3)[nH]c21 ZINC000408632825 572289328 /nfs/dbraw/zinc/28/93/28/572289328.db2.gz TYNTUTSKKXXYQV-HMAPJEAMSA-N -1 1 533.009 6.508 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)ccc2OCc2ccc(C)cc2)C(=O)[O-])n1 ZINC000408632858 572289453 /nfs/dbraw/zinc/28/94/53/572289453.db2.gz UHMSJTGNNGOQHG-FMCGGJTJSA-N -1 1 586.895 7.001 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(C)cc3Br)o2)C(=O)[O-])n1 ZINC000408633098 572289710 /nfs/dbraw/zinc/28/97/10/572289710.db2.gz VWQYRSVSRVPBRX-JAIQZWGSSA-N -1 1 546.830 6.682 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(=O)[O-])n1 ZINC000408633213 572289907 /nfs/dbraw/zinc/28/99/07/572289907.db2.gz XEPDRJJXHWQFOD-YSMPRRRNSA-N -1 1 544.032 7.084 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1F ZINC000408633233 572289910 /nfs/dbraw/zinc/28/99/10/572289910.db2.gz JEOVRPHQIJKTFH-XKZIYDEJSA-N -1 1 511.962 6.070 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408634070 572290951 /nfs/dbraw/zinc/29/09/51/572290951.db2.gz OOKXZMKNQUIBRS-PKAZHMFMSA-N -1 1 558.059 7.474 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)C(=O)[O-])n2)c1 ZINC000408634691 572291700 /nfs/dbraw/zinc/29/17/00/572291700.db2.gz WNMODHJKUOWZBD-HOEBFWFUSA-N -1 1 810.235 7.802 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(Sc4nc5ccccc5s4)o3)C(=O)[O-])n2)c1 ZINC000408635087 572292215 /nfs/dbraw/zinc/29/22/15/572292215.db2.gz YQYJGPRGYUZMTR-UNOMPAQXSA-N -1 1 538.632 6.061 40 0 KKABMM O=C([O-])C(=Cc1cn(Cc2cccc3ccccc32)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635239 572292303 /nfs/dbraw/zinc/29/23/03/572292303.db2.gz YNPODCOMNBYFEB-YUMHPJSZSA-N -1 1 537.044 7.499 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(I)cc1 ZINC000408635724 572292753 /nfs/dbraw/zinc/29/27/53/572292753.db2.gz HTRMHKRNXKXQPB-UHFFFAOYSA-N -1 1 577.227 5.416 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000408636934 572293834 /nfs/dbraw/zinc/29/38/34/572293834.db2.gz WIGOIGYATWOZOG-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)ccc21 ZINC000408637275 572294264 /nfs/dbraw/zinc/29/42/64/572294264.db2.gz ZINNNIVIHOLKPF-UHFFFAOYSA-N -1 1 568.482 6.940 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000408677437 572319121 /nfs/dbraw/zinc/31/91/21/572319121.db2.gz CUJDHADLGWFSCQ-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(Cl)c1 ZINC000408678228 572319717 /nfs/dbraw/zinc/31/97/17/572319717.db2.gz DGRNVCMVPJKGAQ-UHFFFAOYSA-N -1 1 572.108 5.479 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000408678365 572319852 /nfs/dbraw/zinc/31/98/52/572319852.db2.gz GCVHPGSXHNIZFD-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000408679498 572320537 /nfs/dbraw/zinc/32/05/37/572320537.db2.gz MLDRJEGFXLSINK-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000408680205 572320945 /nfs/dbraw/zinc/32/09/45/572320945.db2.gz PTBYJMPNXMJDED-UHFFFAOYSA-N -1 1 551.690 5.134 40 0 KKABMM Cc1cccc(NC(=O)c2[n-]cnc2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)c1 ZINC000095116613 1069685723 /nfs/dbraw/zinc/68/57/23/1069685723.db2.gz ABVKDFYTGHRDIE-UHFFFAOYSA-N -1 1 503.356 5.216 40 0 KKABMM CCSc1nnc(NC(=O)CSc2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)s2)s1 ZINC000097961449 1069690588 /nfs/dbraw/zinc/69/05/88/1069690588.db2.gz LUNSDBGFWPSPMU-UHFFFAOYSA-N -1 1 554.104 5.102 40 0 KKABMM CCCOC(=O)c1ccc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)cc1 ZINC000108423063 1069717568 /nfs/dbraw/zinc/71/75/68/1069717568.db2.gz BSHVAOPCSVDRDM-UHFFFAOYSA-N -1 1 588.664 7.093 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccc(C)c(Cl)c2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423077 1069717601 /nfs/dbraw/zinc/71/76/01/1069717601.db2.gz IVMPCZUSIHVCPZ-UHFFFAOYSA-N -1 1 551.046 7.488 40 0 KKABMM CCOc1ccc(Br)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423242 1069719164 /nfs/dbraw/zinc/71/91/64/1069719164.db2.gz RFQRFKUGQIFOEM-UHFFFAOYSA-N -1 1 559.464 6.427 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Cl)c1OC(C)C ZINC000108423429 1069721176 /nfs/dbraw/zinc/72/11/76/1069721176.db2.gz PSKVKAFHVVELRG-UHFFFAOYSA-N -1 1 559.066 6.715 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(I)c1O ZINC000108423367 1069721214 /nfs/dbraw/zinc/72/12/14/1069721214.db2.gz MWFJDJMPPZHPBV-UHFFFAOYSA-N -1 1 608.436 5.585 40 0 KKABMM CCCCOc1c(Br)cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000108423446 1069722124 /nfs/dbraw/zinc/72/21/24/1069722124.db2.gz PXEGLFKZFOOJBB-UHFFFAOYSA-N -1 1 631.571 7.606 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408922530 1069755405 /nfs/dbraw/zinc/75/54/05/1069755405.db2.gz OVIPCEMMDYIOFC-UHFFFAOYSA-N -1 1 611.494 8.358 40 0 KKABMM CCC(=O)O[C@H](O[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])[P@@H](=O)CCCCc1ccccc1)C(C)C ZINC000604971872 1069784718 /nfs/dbraw/zinc/78/47/18/1069784718.db2.gz NAMZDMCNNVABOB-FGMVWKIJSA-N -1 1 563.672 5.729 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1 ZINC000408920792 1070227124 /nfs/dbraw/zinc/22/71/24/1070227124.db2.gz NBYZLGWNJGOBPN-UHFFFAOYSA-N -1 1 647.697 6.047 40 0 KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000408921793 1070229519 /nfs/dbraw/zinc/22/95/19/1070229519.db2.gz XLPCPMFCLMLALX-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408999081 1070374283 /nfs/dbraw/zinc/37/42/83/1070374283.db2.gz JYYLNYSJLXRMEK-FBRKSOCZSA-N -1 1 603.538 5.527 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409001459 1070377240 /nfs/dbraw/zinc/37/72/40/1070377240.db2.gz WAPALBSCFXTTHT-KLKBWYFJSA-N -1 1 776.434 5.974 40 0 KKABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000409025411 1070408907 /nfs/dbraw/zinc/40/89/07/1070408907.db2.gz UNTSEZAUSBOUKW-UHFFFAOYSA-N -1 1 515.838 5.013 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(I)cc(I)c3[O-])sc2=N1 ZINC000409031514 1070416614 /nfs/dbraw/zinc/41/66/14/1070416614.db2.gz HCICLEXGKAETOY-IOKRJLGCSA-N -1 1 764.807 5.155 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409062494 1070478392 /nfs/dbraw/zinc/47/83/92/1070478392.db2.gz VPWZJEBTQACWFQ-LKWZWFHSSA-N -1 1 745.433 5.796 40 0 KKABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1ccc(Br)c(Cl)c1 ZINC000409201155 1070626486 /nfs/dbraw/zinc/62/64/86/1070626486.db2.gz OBGGMZZFMYBEDJ-GIDUJCDVSA-N -1 1 502.173 5.137 40 0 KKABMM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409256840 1070676878 /nfs/dbraw/zinc/67/68/78/1070676878.db2.gz QGJSRSCJCCJKGY-QPEQYQDCSA-N -1 1 668.101 5.205 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408906963 1070893159 /nfs/dbraw/zinc/89/31/59/1070893159.db2.gz FHMGYERQWYLENH-YIXHJXPBSA-N -1 1 510.921 5.820 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408927218 1071069253 /nfs/dbraw/zinc/06/92/53/1071069253.db2.gz UDKQDTGZRFTYOM-UHFFFAOYSA-N -1 1 628.172 5.990 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(C)cc2)cc1OC ZINC000408926091 1071074801 /nfs/dbraw/zinc/07/48/01/1071074801.db2.gz XJKVNCGOPVLBAV-UHFFFAOYSA-N -1 1 645.759 5.800 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccccc2F)cc1 ZINC000408926192 1071073645 /nfs/dbraw/zinc/07/36/45/1071073645.db2.gz QAPDUKHGTYGHRA-UHFFFAOYSA-N -1 1 588.082 5.422 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408924388 1071083379 /nfs/dbraw/zinc/08/33/79/1071083379.db2.gz HWJOZVLAYIZOKL-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408923997 1071084398 /nfs/dbraw/zinc/08/43/98/1071084398.db2.gz IXRSUFHGRFLIHX-UHFFFAOYSA-N -1 1 504.939 5.269 40 0 KKABMM Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408923279 1071086830 /nfs/dbraw/zinc/08/68/30/1071086830.db2.gz BFTCQSVVQRSKLY-UHFFFAOYSA-N -1 1 646.190 7.097 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(Br)cc2)cc1 ZINC000408922928 1071089521 /nfs/dbraw/zinc/08/95/21/1071089521.db2.gz HTCBKHGIOLQJLF-UHFFFAOYSA-N -1 1 628.570 5.701 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408922052 1071093068 /nfs/dbraw/zinc/09/30/68/1071093068.db2.gz DSGQEMVAIOVEOG-UHFFFAOYSA-N -1 1 614.145 5.682 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408921113 1071096526 /nfs/dbraw/zinc/09/65/26/1071096526.db2.gz SMJUQCCFPFKUAJ-UHFFFAOYSA-N -1 1 633.670 5.739 40 0 KKABMM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)cc(I)c3[O-])C2=O)cc1C ZINC000408928733 1071179508 /nfs/dbraw/zinc/17/95/08/1071179508.db2.gz GIHDRMATWXGPBB-APSNUPSMSA-N -1 1 587.233 5.051 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408927693 1071192834 /nfs/dbraw/zinc/19/28/34/1071192834.db2.gz ZVURZGHIGFGCTE-UHFFFAOYSA-N -1 1 644.171 5.609 40 0 KKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408681537 1071373718 /nfs/dbraw/zinc/37/37/18/1071373718.db2.gz XFJVZOPRJUNVNO-HNNXBMFYSA-N -1 1 512.937 5.874 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000408681580 1071374158 /nfs/dbraw/zinc/37/41/58/1071374158.db2.gz YCJYFBLNAVQEBI-UHFFFAOYSA-N -1 1 650.528 5.994 40 0 KKABMM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408681266 1071375701 /nfs/dbraw/zinc/37/57/01/1071375701.db2.gz RFVSLQJBMHRXBG-FQEVSTJZSA-N -1 1 508.518 5.311 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000408694240 1071388455 /nfs/dbraw/zinc/38/84/55/1071388455.db2.gz HAHLKJAVDMLKBY-UHFFFAOYSA-N -1 1 626.982 5.084 40 0 KKABMM Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000408694958 1071385815 /nfs/dbraw/zinc/38/58/15/1071385815.db2.gz LIYLCMWUSYITTP-UHFFFAOYSA-N -1 1 551.690 5.134 40 0 KKABMM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408694768 1071386880 /nfs/dbraw/zinc/38/68/80/1071386880.db2.gz MMTNHONNEWXGPO-OAQYLSRUSA-N -1 1 547.382 6.609 40 0 KKABMM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408694731 1071387145 /nfs/dbraw/zinc/38/71/45/1071387145.db2.gz LZWLQBADVBYDMU-QFIPXVFZSA-N -1 1 503.418 5.354 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000408693365 1071391668 /nfs/dbraw/zinc/39/16/68/1071391668.db2.gz QCOHKKJENAWXFO-UHFFFAOYSA-N -1 1 598.530 5.230 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693045 1071392370 /nfs/dbraw/zinc/39/23/70/1071392370.db2.gz CSJXPHYVAILEMB-UHFFFAOYSA-N -1 1 611.664 5.332 40 0 KKABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408705961 1071433838 /nfs/dbraw/zinc/43/38/38/1071433838.db2.gz RLHUKSNDHFXLAI-JOCHJYFZSA-N -1 1 519.417 5.055 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408706387 1071432639 /nfs/dbraw/zinc/43/26/39/1071432639.db2.gz KFGHCXGJPDRMLS-UHFFFAOYSA-N -1 1 612.557 5.476 40 0 KKABMM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408704934 1071436968 /nfs/dbraw/zinc/43/69/68/1071436968.db2.gz VXVNICXVNLIPIO-UHFFFAOYSA-N -1 1 571.680 5.721 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000408704245 1071441255 /nfs/dbraw/zinc/44/12/55/1071441255.db2.gz YZOZKBSSUUOTCL-UHFFFAOYSA-N -1 1 612.955 5.330 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000408703260 1071444412 /nfs/dbraw/zinc/44/44/12/1071444412.db2.gz QILLVZPUEXRWDY-UHFFFAOYSA-N -1 1 592.139 5.131 40 0 KKABMM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408703181 1071445186 /nfs/dbraw/zinc/44/51/86/1071445186.db2.gz DXRCGTSTSHXPDH-UHFFFAOYSA-N -1 1 624.062 6.240 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408702831 1071446344 /nfs/dbraw/zinc/44/63/44/1071446344.db2.gz OWRMMMCEWSQZFA-UHFFFAOYSA-N -1 1 595.665 5.488 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408702772 1071447174 /nfs/dbraw/zinc/44/71/74/1071447174.db2.gz OGSAGQSXTZIEKK-UHFFFAOYSA-N -1 1 616.083 5.895 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)cc1Cl ZINC000408702265 1071448614 /nfs/dbraw/zinc/44/86/14/1071448614.db2.gz MJHDKDMZBOBTPD-UHFFFAOYSA-N -1 1 568.504 5.139 40 0 KKABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408701825 1071450027 /nfs/dbraw/zinc/45/00/27/1071450027.db2.gz GPBNAFASNLKRMD-UHFFFAOYSA-N -1 1 650.631 6.984 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408701850 1071450764 /nfs/dbraw/zinc/45/07/64/1071450764.db2.gz HCJVXFNJLATHDA-UHFFFAOYSA-N -1 1 646.109 5.985 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714568 1071475123 /nfs/dbraw/zinc/47/51/23/1071475123.db2.gz FMPVOQGULWTUPP-UHFFFAOYSA-N -1 1 577.725 5.165 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714996 1071470976 /nfs/dbraw/zinc/47/09/76/1071470976.db2.gz UTFZDEXUFVNWDZ-UHFFFAOYSA-N -1 1 627.732 5.901 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715058 1071472693 /nfs/dbraw/zinc/47/26/93/1071472693.db2.gz ZKPWWWVBULUDJO-UHFFFAOYSA-N -1 1 608.207 5.988 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714839 1071473552 /nfs/dbraw/zinc/47/35/52/1071473552.db2.gz QBABWWIVPLOTSG-UHFFFAOYSA-N -1 1 628.625 6.189 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714724 1071474460 /nfs/dbraw/zinc/47/44/60/1071474460.db2.gz LKUVJEPZDNHKLM-UHFFFAOYSA-N -1 1 587.789 5.643 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)c2)cc1 ZINC000408712512 1071480957 /nfs/dbraw/zinc/48/09/57/1071480957.db2.gz ACDJMOZLOYQXMK-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1)c1cccc(Cl)c1 ZINC000408712530 1071481784 /nfs/dbraw/zinc/48/17/84/1071481784.db2.gz GAKYDOPSHQZWDP-UHFFFAOYSA-N -1 1 570.092 5.359 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 ZINC000408712564 1071482618 /nfs/dbraw/zinc/48/26/18/1071482618.db2.gz OSTPIXFYYSYVNY-UHFFFAOYSA-N -1 1 653.009 6.975 40 0 KKABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712554 1071482632 /nfs/dbraw/zinc/48/26/32/1071482632.db2.gz NBVGINCXQBAICQ-UHFFFAOYSA-N -1 1 600.546 5.296 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712297 1071483314 /nfs/dbraw/zinc/48/33/14/1071483314.db2.gz IQGXFEZEUMDBGC-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000408712382 1071484931 /nfs/dbraw/zinc/48/49/31/1071484931.db2.gz UGTAVMJQBXVDRX-UHFFFAOYSA-N -1 1 653.009 6.975 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000408712261 1071488762 /nfs/dbraw/zinc/48/87/62/1071488762.db2.gz DXXLWQYWDQUNKK-UHFFFAOYSA-N -1 1 588.082 5.498 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408712271 1071489414 /nfs/dbraw/zinc/48/94/14/1071489414.db2.gz GDRNOPROXJNCNZ-UHFFFAOYSA-N -1 1 624.062 6.521 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000408712270 1071489517 /nfs/dbraw/zinc/48/95/17/1071489517.db2.gz GCZPSNILHPTWFK-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1SCc1ccccc1 ZINC000408711469 1071493432 /nfs/dbraw/zinc/49/34/32/1071493432.db2.gz ZLROQQWUWQJCMT-UHFFFAOYSA-N -1 1 543.497 7.339 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000408711492 1071493993 /nfs/dbraw/zinc/49/39/93/1071493993.db2.gz OAANFAPDZHNZNZ-UHFFFAOYSA-N -1 1 672.534 7.032 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000408711545 1071494606 /nfs/dbraw/zinc/49/46/06/1071494606.db2.gz WBLDJEYWCQLKHV-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)S(C)(=O)=O)c1 ZINC000408711294 1071496433 /nfs/dbraw/zinc/49/64/33/1071496433.db2.gz FEALRSFTBKEVJT-UHFFFAOYSA-N -1 1 549.674 5.014 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)cc2)c1 ZINC000408711222 1071501778 /nfs/dbraw/zinc/50/17/78/1071501778.db2.gz JGKDBSMMYATFPX-UHFFFAOYSA-N -1 1 581.691 5.462 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408711111 1071505026 /nfs/dbraw/zinc/50/50/26/1071505026.db2.gz GPLNMUXQFSMNCR-UHFFFAOYSA-N -1 1 632.533 5.608 40 0 KKABMM O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc5sc6c(c5c(=O)[n-]4)CCCC6)o3)sc2c1 ZINC000408994554 1071557289 /nfs/dbraw/zinc/55/72/89/1071557289.db2.gz ZQGOYRWWFUKNHR-UHFFFAOYSA-N -1 1 582.688 7.097 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)c(Br)cc1OCc1ccccc1 ZINC000408993577 1071564879 /nfs/dbraw/zinc/56/48/79/1071564879.db2.gz WMUBOFJRLGGFAF-UHFFFAOYSA-N -1 1 525.468 7.073 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408996125 1071619119 /nfs/dbraw/zinc/61/91/19/1071619119.db2.gz OEXXRDDPQDXHIB-WDONWYDGSA-N -1 1 780.447 5.572 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409054148 1071935258 /nfs/dbraw/zinc/93/52/58/1071935258.db2.gz NCYSOOKMUIDTBP-MRCZTLKWSA-N -1 1 678.371 5.008 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409053724 1071938191 /nfs/dbraw/zinc/93/81/91/1071938191.db2.gz HIGAMHVJNUZGBR-WYWXSHKMSA-N -1 1 762.258 5.422 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409053721 1071938221 /nfs/dbraw/zinc/93/82/21/1071938221.db2.gz HIGAMHVJNUZGBR-JGZDWKDESA-N -1 1 762.258 5.422 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000409095885 1072237233 /nfs/dbraw/zinc/23/72/33/1072237233.db2.gz IRDVCCQWFDHBCH-KUAKTGBJSA-N -1 1 733.666 6.034 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409094671 1072243926 /nfs/dbraw/zinc/24/39/26/1072243926.db2.gz FUEUNLLPMQLSOH-QIAAYXBRSA-N -1 1 705.612 5.255 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409101294 1072315418 /nfs/dbraw/zinc/31/54/18/1072315418.db2.gz AXUUNNNUZPVDIW-RJFKIUDMSA-N -1 1 683.650 6.013 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000409097643 1072336394 /nfs/dbraw/zinc/33/63/94/1072336394.db2.gz NNXPUTULOWQCJX-VEWQMQJVSA-N -1 1 681.615 5.308 40 0 KKABMM O=C1S/C(=C/c2cc(I)cc(I)c2[O-])C(=O)N1CC1CCCCC1 ZINC000409123231 1072417425 /nfs/dbraw/zinc/41/74/25/1072417425.db2.gz AWNWZRFIXUDHGR-VGOFMYFVSA-N -1 1 569.202 5.218 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000409345478 1072425192 /nfs/dbraw/zinc/42/51/92/1072425192.db2.gz ISARTTLTIYUVFG-UHFFFAOYSA-N -1 1 563.701 5.490 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000409342305 1072449174 /nfs/dbraw/zinc/44/91/74/1072449174.db2.gz BKQPGBKKZBWPRL-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3cccc(C(F)(F)F)c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409373640 1072624919 /nfs/dbraw/zinc/62/49/19/1072624919.db2.gz YDAUQKHNLDJTSN-UHFFFAOYSA-N -1 1 570.571 7.954 40 0 KKABMM CCOC(=O)Cn1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc21 ZINC000409373497 1072641921 /nfs/dbraw/zinc/64/19/21/1072641921.db2.gz WRUBBKKIQAJOPO-UHFFFAOYSA-N -1 1 561.642 6.193 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000409371118 1072650683 /nfs/dbraw/zinc/65/06/83/1072650683.db2.gz FPSFCSHOIFDZJF-UHFFFAOYSA-N -1 1 577.084 7.907 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409370737 1072652927 /nfs/dbraw/zinc/65/29/27/1072652927.db2.gz AVSIGFSRZKZASG-UHFFFAOYSA-N -1 1 734.478 9.722 40 0 KKABMM CCOc1ccc(Cl)cc1C(c1c(=O)[nH][n-]c1-c1ccc(C)cc1)c1c(=O)[nH][nH]c1-c1ccc(C)cc1 ZINC000409369842 1072657391 /nfs/dbraw/zinc/65/73/91/1072657391.db2.gz ZVEFHYOBFOUODA-UHFFFAOYSA-N -1 1 515.013 6.727 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OC ZINC000409368748 1072662548 /nfs/dbraw/zinc/66/25/48/1072662548.db2.gz KSJGZCNPLHEANU-UHFFFAOYSA-N -1 1 575.463 6.455 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 ZINC000409368682 1072664236 /nfs/dbraw/zinc/66/42/36/1072664236.db2.gz HRUAUSATLBBWIZ-UHFFFAOYSA-N -1 1 779.327 9.542 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000409368403 1072665417 /nfs/dbraw/zinc/66/54/17/1072665417.db2.gz UHCUZLHCBTWGBY-UHFFFAOYSA-N -1 1 572.665 7.263 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3ccccc3Cl)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368197 1072666048 /nfs/dbraw/zinc/66/60/48/1072666048.db2.gz PCUAGQMNSFNUJE-UHFFFAOYSA-N -1 1 600.122 8.331 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368252 1072666651 /nfs/dbraw/zinc/66/66/51/1072666651.db2.gz QIDCIUOQBBCOPC-UHFFFAOYSA-N -1 1 634.567 8.985 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000409167083 1072701556 /nfs/dbraw/zinc/70/15/56/1072701556.db2.gz JFRDMUVWOUXDJV-UHFFFAOYSA-N -1 1 638.089 6.545 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409174359 1072723072 /nfs/dbraw/zinc/72/30/72/1072723072.db2.gz SZHLSCWXORVNGX-UHFFFAOYSA-N -1 1 691.784 5.509 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccccc2)cc1OC ZINC000409174028 1072724239 /nfs/dbraw/zinc/72/42/39/1072724239.db2.gz QBAPOGSMLSEBDF-UHFFFAOYSA-N -1 1 684.114 6.011 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)cc1 ZINC000409172436 1072734056 /nfs/dbraw/zinc/73/40/56/1072734056.db2.gz IABKPFBUVADUQR-UHFFFAOYSA-N -1 1 585.707 6.026 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000409172120 1072735725 /nfs/dbraw/zinc/73/57/25/1072735725.db2.gz HYZBVHOUJIMDAD-UHFFFAOYSA-N -1 1 603.644 5.892 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2)cc1 ZINC000409171850 1072737624 /nfs/dbraw/zinc/73/76/24/1072737624.db2.gz BZOZVYQTPVCTGU-UHFFFAOYSA-N -1 1 584.119 5.835 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409183451 1072782696 /nfs/dbraw/zinc/78/26/96/1072782696.db2.gz SDTUGGGRNPOMKJ-UHFFFAOYSA-N -1 1 695.988 5.888 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)ccc2C)cc1 ZINC000409412543 1072787240 /nfs/dbraw/zinc/78/72/40/1072787240.db2.gz XAPIVKPTAQGUTI-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000409182592 1072788884 /nfs/dbraw/zinc/78/88/84/1072788884.db2.gz MXSPIXUQSUHMTH-WJOKGBTCSA-N -1 1 571.724 5.865 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409411559 1072795153 /nfs/dbraw/zinc/79/51/53/1072795153.db2.gz JESAJKKIWULMKN-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)ccc2C)c1 ZINC000409411365 1072795751 /nfs/dbraw/zinc/79/57/51/1072795751.db2.gz HCGAZMXPYVGWJA-UHFFFAOYSA-N -1 1 598.146 6.428 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409411466 1072796071 /nfs/dbraw/zinc/79/60/71/1072796071.db2.gz XGMPAIIVCAATOR-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000409411460 1072796297 /nfs/dbraw/zinc/79/62/97/1072796297.db2.gz XDPLIGRJGLYVHF-UHFFFAOYSA-N -1 1 642.243 6.322 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000409411025 1072800125 /nfs/dbraw/zinc/80/01/25/1072800125.db2.gz SMEYVOGZGZCQON-UHFFFAOYSA-N -1 1 648.532 5.232 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409410823 1072800964 /nfs/dbraw/zinc/80/09/64/1072800964.db2.gz QRBVLMBQPSDKFY-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(F)cc2)cc1 ZINC000409410675 1072802365 /nfs/dbraw/zinc/80/23/65/1072802365.db2.gz ZPOSRRMZDCKLEZ-UHFFFAOYSA-N -1 1 618.108 5.431 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1C ZINC000409410486 1072803443 /nfs/dbraw/zinc/80/34/43/1072803443.db2.gz NJAVPROLKUIHGG-UHFFFAOYSA-N -1 1 505.640 5.419 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2)cc1 ZINC000409410496 1072803693 /nfs/dbraw/zinc/80/36/93/1072803693.db2.gz NMINGKFKFFBYBB-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1)S(C)(=O)=O ZINC000409180230 1072804529 /nfs/dbraw/zinc/80/45/29/1072804529.db2.gz QIPPNZIYWOQJFL-UHFFFAOYSA-N -1 1 549.674 5.014 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)cc1 ZINC000409410363 1072804590 /nfs/dbraw/zinc/80/45/90/1072804590.db2.gz VRWDOKSQVNCNRR-UHFFFAOYSA-N -1 1 538.694 7.494 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000409410459 1072805451 /nfs/dbraw/zinc/80/54/51/1072805451.db2.gz NBISCWYJQCVZGL-UHFFFAOYSA-N -1 1 684.114 6.011 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000409410218 1072805933 /nfs/dbraw/zinc/80/59/33/1072805933.db2.gz UARPIDJLNWIWMQ-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000409179575 1072809596 /nfs/dbraw/zinc/80/95/96/1072809596.db2.gz RMCXZAPWXQNELK-UHFFFAOYSA-N -1 1 654.088 6.002 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2)cc1OC ZINC000409409583 1072810401 /nfs/dbraw/zinc/81/04/01/1072810401.db2.gz IHJSASFKIOWFAC-UHFFFAOYSA-N -1 1 630.144 5.544 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1C ZINC000409409134 1072812796 /nfs/dbraw/zinc/81/27/96/1072812796.db2.gz NIDGBRIKWVDLAQ-UHFFFAOYSA-N -1 1 527.646 5.329 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409179039 1072813732 /nfs/dbraw/zinc/81/37/32/1072813732.db2.gz PMYCQSPPCQSZHG-UHFFFAOYSA-N -1 1 632.591 6.553 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000409408482 1072815330 /nfs/dbraw/zinc/81/53/30/1072815330.db2.gz CZNHDNKTFBKHQA-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C)c1 ZINC000409407797 1072819862 /nfs/dbraw/zinc/81/98/62/1072819862.db2.gz HWZMPKJUXWJMMJ-UHFFFAOYSA-N -1 1 500.620 6.244 40 0 KKABMM Cc1n[nH]c(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2)C(=O)[O-])n1 ZINC000409191621 1072860408 /nfs/dbraw/zinc/86/04/08/1072860408.db2.gz JKPJXIUAFHCJFS-PXNMLYILSA-N -1 1 619.222 5.119 40 0 KKABMM Cc1nc(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2)C(=O)[O-])n[nH]1 ZINC000409191621 1072860435 /nfs/dbraw/zinc/86/04/35/1072860435.db2.gz JKPJXIUAFHCJFS-PXNMLYILSA-N -1 1 619.222 5.119 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000409261450 1073226971 /nfs/dbraw/zinc/22/69/71/1073226971.db2.gz DANTVLLWOMKIRG-UHFFFAOYSA-N -1 1 518.616 5.872 40 0 KKABMM COc1cc(C=O)ccc1OCCOc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1OC ZINC000409259522 1073238695 /nfs/dbraw/zinc/23/86/95/1073238695.db2.gz ACHVKQOURDRBAU-UHFFFAOYSA-N -1 1 506.580 5.230 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)[O-])n2)c1 ZINC000408634912 195482372 /nfs/dbraw/zinc/48/23/72/195482372.db2.gz XWZLIIGXJHWEOR-JAIQZWGSSA-N -1 1 518.378 6.274 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408635380 195484530 /nfs/dbraw/zinc/48/45/30/195484530.db2.gz AHECZFDEBWRRDP-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000001328987 551644385 /nfs/dbraw/zinc/64/43/85/551644385.db2.gz QGNXZDHQGVZGBM-UHFFFAOYSA-N -1 1 522.652 5.393 40 0 KKABMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C[C@@H](C(C)(C)C)CC5)c3cccc(c23)C1=O ZINC000008834627 553161118 /nfs/dbraw/zinc/16/11/18/553161118.db2.gz CECTWJOMFHBAMC-KRWDZBQOSA-N -1 1 502.636 6.518 40 0 KKABMM CCN1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C[C@H](C(C)(C)C)CC5)c3cccc(c23)C1=O ZINC000008835905 553162654 /nfs/dbraw/zinc/16/26/54/553162654.db2.gz CECTWJOMFHBAMC-QGZVFWFLSA-N -1 1 502.636 6.518 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2C)cc1 ZINC000010314901 553332976 /nfs/dbraw/zinc/33/29/76/553332976.db2.gz YSFRXEMBCMOVNR-JOCHJYFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)c2C)cc1 ZINC000010331215 553334018 /nfs/dbraw/zinc/33/40/18/553334018.db2.gz ZGZWNBJMURWFOV-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000010333172 553334193 /nfs/dbraw/zinc/33/41/93/553334193.db2.gz ZADSJDUJQGTKIB-UHFFFAOYSA-N -1 1 504.574 6.375 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)cc2C)cc1 ZINC000010335620 553334457 /nfs/dbraw/zinc/33/44/57/553334457.db2.gz VGEIIYKNAQWHRW-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010336366 553334581 /nfs/dbraw/zinc/33/45/81/553334581.db2.gz RYDXEPCKFVGNJJ-UHFFFAOYSA-N -1 1 513.619 5.021 40 0 KKABMM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000010338029 553334801 /nfs/dbraw/zinc/33/48/01/553334801.db2.gz CPDTVHBFWOFZBF-UHFFFAOYSA-N -1 1 505.467 6.663 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3c(Cl)cccc3Cl)c2)cc1 ZINC000010364904 553335617 /nfs/dbraw/zinc/33/56/17/553335617.db2.gz RHVOMLIGJIXQEC-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3Cl)ccc2C)c1C ZINC000014154573 553504379 /nfs/dbraw/zinc/50/43/79/553504379.db2.gz NXENQIZVDPRGLE-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)cc1C ZINC000014155078 553504820 /nfs/dbraw/zinc/50/48/20/553504820.db2.gz AGGOMBLHOMLCMM-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1C ZINC000014155666 553505347 /nfs/dbraw/zinc/50/53/47/553505347.db2.gz ITGXCRBBUAETKE-UHFFFAOYSA-N -1 1 507.011 6.802 40 0 KKABMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc(C)c1Cl ZINC000014397522 553514877 /nfs/dbraw/zinc/51/48/77/553514877.db2.gz XNRWKHFYEHEHIU-IBGZPJMESA-N -1 1 509.027 6.317 40 0 KKABMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccccc1Cl ZINC000016284876 553558667 /nfs/dbraw/zinc/55/86/67/553558667.db2.gz CKGVYFJWVYPNMR-ULJKERAFSA-N -1 1 527.068 6.735 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(OC)cc1)cc2Cl ZINC000016779622 553581889 /nfs/dbraw/zinc/58/18/89/553581889.db2.gz BOIGHFVQHFDGKB-UHFFFAOYSA-N -1 1 513.015 5.887 40 0 KKABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018067803 553603086 /nfs/dbraw/zinc/60/30/86/553603086.db2.gz KXJMVBKSEQZRNO-KCHLEUMXSA-N -1 1 500.595 5.624 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)cc1 ZINC000020459885 553654901 /nfs/dbraw/zinc/65/49/01/553654901.db2.gz XNNNHDXTUWIWRY-UHFFFAOYSA-N -1 1 518.466 5.373 40 0 KKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020460342 553655226 /nfs/dbraw/zinc/65/52/26/553655226.db2.gz TYLPWZOISAZJHS-NRFANRHFSA-N -1 1 507.381 5.185 40 0 KKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020489111 553659746 /nfs/dbraw/zinc/65/97/46/553659746.db2.gz LXFUAVUPXJTMEL-LJAQVGFWSA-N -1 1 510.615 6.590 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(Cl)c2)cc1 ZINC000020492582 553665731 /nfs/dbraw/zinc/66/57/31/553665731.db2.gz ZARJBBKJQSNSHY-UHFFFAOYSA-N -1 1 504.439 5.065 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c(C)c1 ZINC000020036021 553667578 /nfs/dbraw/zinc/66/75/78/553667578.db2.gz GPMSOLZPGNDYFL-UHFFFAOYSA-N -1 1 508.621 5.697 40 0 KKABMM O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020060823 553672677 /nfs/dbraw/zinc/67/26/77/553672677.db2.gz MBXUEZZHGLHWOM-UHFFFAOYSA-N -1 1 514.978 6.032 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)cc2)c1 ZINC000020060916 553673166 /nfs/dbraw/zinc/67/31/66/553673166.db2.gz XONAZGRKMXTASX-LGUFXXKBSA-N -1 1 517.050 6.937 40 0 KKABMM Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020060962 553673497 /nfs/dbraw/zinc/67/34/97/553673497.db2.gz OOVXXKUNTVXYJH-UHFFFAOYSA-N -1 1 505.459 5.430 40 0 KKABMM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020106776 553690266 /nfs/dbraw/zinc/69/02/66/553690266.db2.gz GOKVXSSDJGWJPW-JOCHJYFZSA-N -1 1 509.411 5.599 40 0 KKABMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020110512 553693517 /nfs/dbraw/zinc/69/35/17/553693517.db2.gz PSLAYNXOROHBCS-OAQYLSRUSA-N -1 1 503.418 5.354 40 0 KKABMM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306221 553709476 /nfs/dbraw/zinc/70/94/76/553709476.db2.gz VBNCRLZYJNVNMO-OAQYLSRUSA-N -1 1 513.830 6.244 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000022110095 553726403 /nfs/dbraw/zinc/72/64/03/553726403.db2.gz GEBQMZCGYDGJDF-UHFFFAOYSA-N -1 1 511.445 6.092 40 0 KKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022110117 553726589 /nfs/dbraw/zinc/72/65/89/553726589.db2.gz KAQRJQQVAQOJMJ-UHFFFAOYSA-N -1 1 501.837 6.346 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022110868 553726700 /nfs/dbraw/zinc/72/67/00/553726700.db2.gz YAVHJGWKOHKVNB-UHFFFAOYSA-N -1 1 515.408 5.841 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022111207 553726717 /nfs/dbraw/zinc/72/67/17/553726717.db2.gz JFGSNESHHXCSEB-UHFFFAOYSA-N -1 1 517.438 6.254 40 0 KKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000022110152 553726733 /nfs/dbraw/zinc/72/67/33/553726733.db2.gz XCDYYMJWWASMQH-UHFFFAOYSA-N -1 1 515.408 5.841 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022110166 553726812 /nfs/dbraw/zinc/72/68/12/553726812.db2.gz QSGLIXUOZYRWJE-UHFFFAOYSA-N -1 1 501.439 6.636 40 0 KKABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)n2)cc1OC ZINC000022255319 553733075 /nfs/dbraw/zinc/73/30/75/553733075.db2.gz VHWKKDXOTRXISZ-UHFFFAOYSA-N -1 1 501.649 5.603 40 0 KKABMM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000022523819 553744436 /nfs/dbraw/zinc/74/44/36/553744436.db2.gz JUCCYBRQZCSKSO-JOCHJYFZSA-N -1 1 508.518 5.311 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1OCC ZINC000022533191 553745850 /nfs/dbraw/zinc/74/58/50/553745850.db2.gz NNQLNHOFDKCCGO-UHFFFAOYSA-N -1 1 517.047 5.818 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951578 553809905 /nfs/dbraw/zinc/80/99/05/553809905.db2.gz PTFOVOBVFXEMIF-BBTUJRGHSA-N -1 1 533.717 6.011 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000026119325 553817561 /nfs/dbraw/zinc/81/75/61/553817561.db2.gz YMBIFIGZDAZHMP-UHFFFAOYSA-N -1 1 504.674 5.038 40 0 KKABMM COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccc(Br)cc3)cc(C(C)C)c2[O-])cc1 ZINC000026786945 553821221 /nfs/dbraw/zinc/82/12/21/553821221.db2.gz WFZVWOFKQRVGEX-UHFFFAOYSA-N -1 1 518.429 5.680 40 0 KKABMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@H]1C[C@@H](Cc2ccccc2)CCN31 ZINC000097956956 553843310 /nfs/dbraw/zinc/84/33/10/553843310.db2.gz KGHXEFUYJKAMSZ-TVYLWUJTSA-N -1 1 544.655 5.192 40 0 KKABMM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000030757066 553856874 /nfs/dbraw/zinc/85/68/74/553856874.db2.gz KCDZIDPGWAIGJO-GOSISDBHSA-N -1 1 517.445 5.581 40 0 KKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000030757070 553856922 /nfs/dbraw/zinc/85/69/22/553856922.db2.gz KCDZIDPGWAIGJO-SFHVURJKSA-N -1 1 517.445 5.581 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000030853206 553858244 /nfs/dbraw/zinc/85/82/44/553858244.db2.gz CFJDROBXRGBFIB-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000030870717 553860211 /nfs/dbraw/zinc/86/02/11/553860211.db2.gz NRXWATDZRBBCFB-AREMUKBSSA-N -1 1 509.027 6.399 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCC(C)C)c(Cl)c2)cc1 ZINC000030872406 553860396 /nfs/dbraw/zinc/86/03/96/553860396.db2.gz OERHUOBTXLRTRI-UHFFFAOYSA-N -1 1 500.020 5.087 40 0 KKABMM COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000098009076 554069135 /nfs/dbraw/zinc/06/91/35/554069135.db2.gz JVQKSUQLLRSLAI-IHMCZWCLSA-N -1 1 537.634 5.422 40 0 KKABMM COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@@H]2c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000098009078 554069332 /nfs/dbraw/zinc/06/93/32/554069332.db2.gz JVQKSUQLLRSLAI-DKGMKSHISA-N -1 1 537.634 5.422 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000100091604 554211839 /nfs/dbraw/zinc/21/18/39/554211839.db2.gz ATTDBVWNZWVYKM-UHFFFAOYSA-N -1 1 576.121 5.588 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000100094620 554215101 /nfs/dbraw/zinc/21/51/01/554215101.db2.gz WSCJKZMCTAIJCQ-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1OCC ZINC000038771736 554277179 /nfs/dbraw/zinc/27/71/79/554277179.db2.gz WGUZCULHDFFMNU-UHFFFAOYSA-N -1 1 503.020 5.510 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc1Cl)CCCC2 ZINC000038773241 554277528 /nfs/dbraw/zinc/27/75/28/554277528.db2.gz ZNWJOAVHSJSFEZ-UHFFFAOYSA-N -1 1 519.044 5.428 40 0 KKABMM COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1Cl ZINC000059331526 554389225 /nfs/dbraw/zinc/38/92/25/554389225.db2.gz XDKVWMAUDDTNNU-UHFFFAOYSA-N -1 1 516.406 6.259 40 0 KKABMM C[C@H](Sc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1)C(=O)Nc1nccs1 ZINC000059489647 554398479 /nfs/dbraw/zinc/39/84/79/554398479.db2.gz OREKIYRVLWIKCQ-NSHDSACASA-N -1 1 511.075 5.326 40 0 KKABMM CCOC(=O)C1=C([O-])c2c(-c3ccc(N(C)C)cc3)nc3c(c(C)nn3-c3ccccc3)c2[C@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000059662868 554420987 /nfs/dbraw/zinc/42/09/87/554420987.db2.gz GPQOPBRGLSEODY-MZMVFCBMSA-N -1 1 616.718 6.268 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c1 ZINC000059837054 554441602 /nfs/dbraw/zinc/44/16/02/554441602.db2.gz FOANQSVPWLJJFJ-UHFFFAOYSA-N -1 1 548.461 5.551 40 0 KKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1ccc(Br)cc1 ZINC000059837200 554442218 /nfs/dbraw/zinc/44/22/18/554442218.db2.gz NAXQURRNTGSLAQ-HNNXBMFYSA-N -1 1 523.836 5.160 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1 ZINC000059837329 554442834 /nfs/dbraw/zinc/44/28/34/554442834.db2.gz GQGMSDWVMLJFMC-UHFFFAOYSA-N -1 1 530.490 6.405 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OC ZINC000059853001 554453510 /nfs/dbraw/zinc/45/35/10/554453510.db2.gz QZYFEXSVQKCDMS-AWEZNQCLSA-N -1 1 575.030 6.296 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c1 ZINC000059853015 554453565 /nfs/dbraw/zinc/45/35/65/554453565.db2.gz HUSOWGWXJDFCHI-UHFFFAOYSA-N -1 1 555.700 6.906 40 0 KKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000059853349 554454001 /nfs/dbraw/zinc/45/40/01/554454001.db2.gz OKMMGYWQLDQYDB-DEOSSOPVSA-N -1 1 528.552 6.456 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059858217 554455602 /nfs/dbraw/zinc/45/56/02/554455602.db2.gz LRYVBHQNEZVRBP-UHFFFAOYSA-N -1 1 611.745 6.444 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059858601 554455979 /nfs/dbraw/zinc/45/59/79/554455979.db2.gz LEOWBIATTICERN-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cc(C)cc(C)c2)cc1 ZINC000059881537 554456791 /nfs/dbraw/zinc/45/67/91/554456791.db2.gz YXQSOAWPZZNOGY-UHFFFAOYSA-N -1 1 591.755 5.864 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000059881473 554456919 /nfs/dbraw/zinc/45/69/19/554456919.db2.gz KHXPLCQKDGIYCS-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059882116 554457803 /nfs/dbraw/zinc/45/78/03/554457803.db2.gz QTRSOMKQIKNPKW-UHFFFAOYSA-N -1 1 615.733 5.792 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cc(C)ccc2C)cc1 ZINC000059882584 554458426 /nfs/dbraw/zinc/45/84/26/554458426.db2.gz IRAANIIXSOVLIP-UHFFFAOYSA-N -1 1 591.755 5.864 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059882786 554459005 /nfs/dbraw/zinc/45/90/05/554459005.db2.gz JJROBXIWQJJPIZ-UHFFFAOYSA-N -1 1 607.754 5.645 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059883113 554459552 /nfs/dbraw/zinc/45/95/52/554459552.db2.gz IXHSRWXPIUQIRR-GDLZYMKVSA-N -1 1 543.670 5.514 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059883168 554459926 /nfs/dbraw/zinc/45/99/26/554459926.db2.gz JVHCOHYHRPKQAW-UHFFFAOYSA-N -1 1 600.118 5.374 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000059883262 554459942 /nfs/dbraw/zinc/45/99/42/554459942.db2.gz AVRADPCBGQUGIO-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000059883391 554460167 /nfs/dbraw/zinc/46/01/67/554460167.db2.gz XNXFECVBKMLTKQ-UHFFFAOYSA-N -1 1 577.049 7.704 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059883535 554460647 /nfs/dbraw/zinc/46/06/47/554460647.db2.gz TYLKPDYSLGIHCP-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000059883583 554460896 /nfs/dbraw/zinc/46/08/96/554460896.db2.gz CGRBQFXWWMETEK-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059883746 554461165 /nfs/dbraw/zinc/46/11/65/554461165.db2.gz AXGYCORBHDWPHR-LFYBBSHMSA-N -1 1 515.340 6.465 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccccc2)cc1 ZINC000059883868 554461269 /nfs/dbraw/zinc/46/12/69/554461269.db2.gz ZLUNVAUPUJEAQZ-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059883898 554461417 /nfs/dbraw/zinc/46/14/17/554461417.db2.gz MGPLKCOVORMWTG-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1)c1ccccc1 ZINC000059883994 554461490 /nfs/dbraw/zinc/46/14/90/554461490.db2.gz WTHNHUASUSWMTG-UHFFFAOYSA-N -1 1 614.543 5.468 40 0 KKABMM O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059883989 554461513 /nfs/dbraw/zinc/46/15/13/554461513.db2.gz VTQUNYJQMZGXIH-UHFFFAOYSA-N -1 1 600.516 5.084 40 0 KKABMM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059884118 554461734 /nfs/dbraw/zinc/46/17/34/554461734.db2.gz CLFULOPBZHGFLC-WTDSWWLTSA-N -1 1 549.785 7.118 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059884236 554462083 /nfs/dbraw/zinc/46/20/83/554462083.db2.gz NHGHRHXRSMRKNU-UHFFFAOYSA-N -1 1 577.728 5.501 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 ZINC000059884375 554462402 /nfs/dbraw/zinc/46/24/02/554462402.db2.gz UXYZAJHKGNYFOQ-UHFFFAOYSA-N -1 1 590.045 5.181 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000059884641 554463079 /nfs/dbraw/zinc/46/30/79/554463079.db2.gz UXKMELXXPHLLMA-SSEXGKCCSA-N -1 1 592.142 6.476 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059884728 554463412 /nfs/dbraw/zinc/46/34/12/554463412.db2.gz CCGCIWOOBCRNHI-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(C)cc2)cc1 ZINC000059885339 554464489 /nfs/dbraw/zinc/46/44/89/554464489.db2.gz GCVWKFAYSAGXEZ-UHFFFAOYSA-N -1 1 615.733 5.792 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000059885610 554464859 /nfs/dbraw/zinc/46/48/59/554464859.db2.gz FCRORNVQBRUXFA-UHFFFAOYSA-N -1 1 620.152 6.513 40 0 KKABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059886388 554466767 /nfs/dbraw/zinc/46/67/67/554466767.db2.gz AEMGYQREKQHVMS-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(C)cc2)cc1 ZINC000059887383 554468643 /nfs/dbraw/zinc/46/86/43/554468643.db2.gz ADVYNFMSIPNUIZ-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000059887390 554468684 /nfs/dbraw/zinc/46/86/84/554468684.db2.gz VRGUTEDRIJCPRU-UHFFFAOYSA-N -1 1 603.644 5.725 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccccc2F)cc1 ZINC000059887589 554468970 /nfs/dbraw/zinc/46/89/70/554468970.db2.gz PWDNLTXQJUQXHQ-UHFFFAOYSA-N -1 1 581.691 5.386 40 0 KKABMM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1 ZINC000059887762 554469766 /nfs/dbraw/zinc/46/97/66/554469766.db2.gz FSQOMBQPTAIFPP-UHFFFAOYSA-N -1 1 616.186 6.005 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059888084 554470470 /nfs/dbraw/zinc/47/04/70/554470470.db2.gz JBPWZBQUZWMFMN-MGBGTMOVSA-N -1 1 593.730 6.667 40 0 KKABMM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000059888188 554470600 /nfs/dbraw/zinc/47/06/00/554470600.db2.gz PNSXCPBFORBMMG-UHFFFAOYSA-N -1 1 525.877 5.775 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059888565 554471619 /nfs/dbraw/zinc/47/16/19/554471619.db2.gz HMLHKVPUNJJJQC-UHFFFAOYSA-N -1 1 600.118 5.374 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059888714 554471794 /nfs/dbraw/zinc/47/17/94/554471794.db2.gz QNHADTMORDEZAX-UHFFFAOYSA-N -1 1 614.145 5.682 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059924026 554474774 /nfs/dbraw/zinc/47/47/74/554474774.db2.gz PSPBVLRWLOFJOE-UHFFFAOYSA-N -1 1 583.009 6.753 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)c(Cl)c2)cc1 ZINC000060018204 554489060 /nfs/dbraw/zinc/48/90/60/554489060.db2.gz NRYLCDXVGXEMDD-UHFFFAOYSA-N -1 1 537.106 7.302 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000060028232 554491395 /nfs/dbraw/zinc/49/13/95/554491395.db2.gz KZJAXSNOTSGBCR-HXUWFJFHSA-N -1 1 548.064 6.193 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000060028249 554491437 /nfs/dbraw/zinc/49/14/37/554491437.db2.gz MDKQUCYAXUBADO-UHFFFAOYSA-N -1 1 541.673 6.598 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000060028710 554494810 /nfs/dbraw/zinc/49/48/10/554494810.db2.gz NEQZLAJCMJOUMC-AWEZNQCLSA-N -1 1 545.004 6.288 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)c(Cl)c2)cc1 ZINC000060028738 554494970 /nfs/dbraw/zinc/49/49/70/554494970.db2.gz VKSFUUBFGNGAAM-UHFFFAOYSA-N -1 1 548.064 5.674 40 0 KKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000060060747 554500429 /nfs/dbraw/zinc/50/04/29/554500429.db2.gz FCKNZQRJCPKVJM-OAQYLSRUSA-N -1 1 529.898 6.957 40 0 KKABMM CCOc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c([O-])c2)cc(OCC)c1OCC ZINC000100957553 554540428 /nfs/dbraw/zinc/54/04/28/554540428.db2.gz GHLIBQWLUQNZBN-UHFFFAOYSA-N -1 1 549.649 6.140 40 0 KKABMM COc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(Br)c(Br)c1[O-] ZINC000101007725 554555726 /nfs/dbraw/zinc/55/57/26/554555726.db2.gz NFUVIAXRFVMGNY-MRXNPFEDSA-N -1 1 526.210 5.003 40 0 KKABMM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101115704 554643171 /nfs/dbraw/zinc/64/31/71/554643171.db2.gz AXWGVJBZYGTVMO-ULNSLHSMSA-N -1 1 534.568 5.274 40 0 KKABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101173154 554662270 /nfs/dbraw/zinc/66/22/70/554662270.db2.gz YEQKIUHBYOXGIP-AYQJTBPPSA-N -1 1 534.612 6.024 40 0 KKABMM Cc1c(NC(=O)c2ccc(Br)cc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000101181770 554667334 /nfs/dbraw/zinc/66/73/34/554667334.db2.gz SIICCKDNVFVBJE-UHFFFAOYSA-N -1 1 522.848 6.325 40 0 KKABMM O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356420 554915416 /nfs/dbraw/zinc/91/54/16/554915416.db2.gz WGODOGPACJQMFT-JTQLQIEISA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Oc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102564059 554969548 /nfs/dbraw/zinc/96/95/48/554969548.db2.gz NJMUSOJLJZIDAC-QKDODKLFSA-N -1 1 559.405 6.264 40 0 KKABMM CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102760127 555052194 /nfs/dbraw/zinc/05/21/94/555052194.db2.gz KWKZEBNITZMECM-MJSOWUPRSA-N -1 1 534.612 6.024 40 0 KKABMM CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000103538152 555437023 /nfs/dbraw/zinc/43/70/23/555437023.db2.gz DLYNJURBUZENLF-IDSQFFPFSA-N -1 1 534.999 6.179 40 0 KKABMM CCOc1ccc(Nc2nc(C)c(C([O-])=CC(=O)C(=O)Nc3ccc(C(C)C)cc3C(C)C)s2)cc1 ZINC000104301583 571378690 /nfs/dbraw/zinc/37/86/90/571378690.db2.gz ZTBSYNZIYOUGNS-UHFFFAOYSA-N -1 1 507.656 6.621 40 0 KKABMM CCOc1ccc(Nc2nc(C)c(C(=O)C=C([O-])C(=O)Nc3ccc(C(C)C)cc3C(C)C)s2)cc1 ZINC000104301583 571378691 /nfs/dbraw/zinc/37/86/91/571378691.db2.gz ZTBSYNZIYOUGNS-UHFFFAOYSA-N -1 1 507.656 6.621 40 0 KKABMM O=c1/c(=C/c2ccc([O-])c(Br)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656369 571383969 /nfs/dbraw/zinc/38/39/69/571383969.db2.gz PVATVYLWYDMXNE-CBYYHRJHSA-N -1 1 594.328 5.549 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1Cl ZINC000105269199 571392499 /nfs/dbraw/zinc/39/24/99/571392499.db2.gz QWKKUDMQMRPDFL-UHFFFAOYSA-N -1 1 598.146 6.428 40 0 KKABMM COc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc2ccccc2c1Br ZINC000105308622 571395261 /nfs/dbraw/zinc/39/52/61/571395261.db2.gz QZORGOZRTBENMU-UHFFFAOYSA-N -1 1 548.418 6.252 40 0 KKABMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1Br ZINC000105310436 571395974 /nfs/dbraw/zinc/39/59/74/571395974.db2.gz BJQZSNXZWLJUJH-UHFFFAOYSA-N -1 1 540.439 6.105 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])nc2c1 ZINC000105310625 571396104 /nfs/dbraw/zinc/39/61/04/571396104.db2.gz RPBORKLIICRJQV-KPKJPENVSA-N -1 1 578.477 7.856 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])nc2c1 ZINC000105310602 571396149 /nfs/dbraw/zinc/39/61/49/571396149.db2.gz RJEWMCIFWOTRKC-UHFFFAOYSA-N -1 1 552.439 7.456 40 0 KKABMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c([O-])c2)cc1Br ZINC000105310557 571396193 /nfs/dbraw/zinc/39/61/93/571396193.db2.gz ZLTRAFCJRHNEBY-UHFFFAOYSA-N -1 1 540.439 6.051 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222839258 571404399 /nfs/dbraw/zinc/40/43/99/571404399.db2.gz WLHCVYRLMCZFKO-GDLZYMKVSA-N -1 1 640.545 5.326 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)ccc2C)c1 ZINC000106093006 571411188 /nfs/dbraw/zinc/41/11/88/571411188.db2.gz QBESGCFVJBNVAO-UHFFFAOYSA-N -1 1 598.146 6.428 40 0 KKABMM O=C1S/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N1Cc1ccccc1F ZINC000106698107 571414311 /nfs/dbraw/zinc/41/43/11/571414311.db2.gz NQPUHEHIEMAKRG-NSIKDUERSA-N -1 1 534.144 5.135 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)ccc2C)c1C ZINC000107598421 571420462 /nfs/dbraw/zinc/42/04/62/571420462.db2.gz FMMMZTVLXIBRIY-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2C)c(C)c1 ZINC000107691162 571420798 /nfs/dbraw/zinc/42/07/98/571420798.db2.gz JRWZHGDHWVJBBU-UHFFFAOYSA-N -1 1 598.146 6.428 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000107748388 571421051 /nfs/dbraw/zinc/42/10/51/571421051.db2.gz XOPYXELIIBPLPS-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000108256793 571422968 /nfs/dbraw/zinc/42/29/68/571422968.db2.gz AJJJWNKOEAKTAR-NDEPHWFRSA-N -1 1 582.103 6.069 40 0 KKABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000108356595 571423466 /nfs/dbraw/zinc/42/34/66/571423466.db2.gz LZCMNXLESABXIO-KRWDZBQOSA-N -1 1 570.520 5.204 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)c1 ZINC000108937160 571427680 /nfs/dbraw/zinc/42/76/80/571427680.db2.gz SUCIDBUISQCEOP-GDLZYMKVSA-N -1 1 561.685 5.724 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000109304265 571428856 /nfs/dbraw/zinc/42/88/56/571428856.db2.gz NNENDKHQQOSEBE-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000109604640 571429555 /nfs/dbraw/zinc/42/95/55/571429555.db2.gz CDPQQZLFYYAHES-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)cc2)cc1 ZINC000109915635 571430233 /nfs/dbraw/zinc/43/02/33/571430233.db2.gz QTGXSFLRQJVQNJ-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000112256312 571437576 /nfs/dbraw/zinc/43/75/76/571437576.db2.gz DOECEPKZCMYAGV-UHFFFAOYSA-N -1 1 612.557 5.476 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000112256427 571437580 /nfs/dbraw/zinc/43/75/80/571437580.db2.gz IQGPZHLBNYIXHJ-UHFFFAOYSA-N -1 1 608.035 5.484 40 0 KKABMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000112256984 571437676 /nfs/dbraw/zinc/43/76/76/571437676.db2.gz AYDLSMUZGBHCFX-ZDUSSCGKSA-N -1 1 533.355 6.219 40 0 KKABMM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000112256986 571437678 /nfs/dbraw/zinc/43/76/78/571437678.db2.gz AYDLSMUZGBHCFX-CYBMUJFWSA-N -1 1 533.355 6.219 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)c1 ZINC000113515735 571439691 /nfs/dbraw/zinc/43/96/91/571439691.db2.gz JLDHNOZOOUBQQQ-UHFFFAOYSA-N -1 1 596.706 5.000 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1F)c1ccc(Cl)cc1 ZINC000113515820 571439695 /nfs/dbraw/zinc/43/96/95/571439695.db2.gz FPGURTVFXWKBMY-UHFFFAOYSA-N -1 1 530.746 5.137 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)ccc2C)cc1 ZINC000113620026 571440977 /nfs/dbraw/zinc/44/09/77/571440977.db2.gz WVXDJPAPSRAQEY-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2)S(C)(=O)=O)c1 ZINC000113620855 571441219 /nfs/dbraw/zinc/44/12/19/571441219.db2.gz LGMGRCWFOZYKLB-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000113637553 571442209 /nfs/dbraw/zinc/44/22/09/571442209.db2.gz IEIKRKKKOSSMPY-UHFFFAOYSA-N -1 1 616.976 5.628 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2Cl)cc1 ZINC000139666889 571453238 /nfs/dbraw/zinc/45/32/38/571453238.db2.gz XVPUKPLOJJYCSJ-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2Cl)cc1 ZINC000139686990 571453300 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571565184 /nfs/dbraw/zinc/56/51/84/571565184.db2.gz OMSNKKWYARCANB-UHFFFAOYSA-N -1 1 630.881 5.871 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000197826268 571565199 /nfs/dbraw/zinc/56/51/99/571565199.db2.gz JIJZGEVRRVBOMO-UHFFFAOYSA-N -1 1 679.014 6.136 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000197826640 571565227 /nfs/dbraw/zinc/56/52/27/571565227.db2.gz IHDXQDQLEJOGMT-UHFFFAOYSA-N -1 1 628.570 5.701 40 0 KKABMM O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000197829157 571565498 /nfs/dbraw/zinc/56/54/98/571565498.db2.gz PUOKCRYHZASMLT-UHFFFAOYSA-N -1 1 668.513 6.103 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1NC(C)=O ZINC000224521856 571565731 /nfs/dbraw/zinc/56/57/31/571565731.db2.gz OXOBHYIONTXHCE-UHFFFAOYSA-N -1 1 511.669 5.718 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000197851174 571565931 /nfs/dbraw/zinc/56/59/31/571565931.db2.gz USLUCDGVAQAOOR-UHFFFAOYSA-N -1 1 660.534 5.449 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000198309015 571566764 /nfs/dbraw/zinc/56/67/64/571566764.db2.gz SHRPDUUAFGDRHM-UHFFFAOYSA-N -1 1 674.595 5.410 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccccc2)cc1 ZINC000198309161 571566768 /nfs/dbraw/zinc/56/67/68/571566768.db2.gz KVQRBJNAFHWVMT-UHFFFAOYSA-N -1 1 654.088 6.002 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cccc(Br)c2)cc1 ZINC000198311264 571567003 /nfs/dbraw/zinc/56/70/03/571567003.db2.gz RXTFOJMLHYBUOK-UHFFFAOYSA-N -1 1 628.570 5.701 40 0 KKABMM O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000198312049 571567014 /nfs/dbraw/zinc/56/70/14/571567014.db2.gz PUTSVMYHYSRSCW-UHFFFAOYSA-N -1 1 640.570 6.781 40 0 KKABMM O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198313356 571567219 /nfs/dbraw/zinc/56/72/19/571567219.db2.gz HFLNTKORCKVSCW-UHFFFAOYSA-N -1 1 692.952 7.300 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000198312133 571567296 /nfs/dbraw/zinc/56/72/96/571567296.db2.gz JIMRJXOBHRXAEX-UHFFFAOYSA-N -1 1 647.697 6.047 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(Br)cc2)cc1 ZINC000198315738 571567383 /nfs/dbraw/zinc/56/73/83/571567383.db2.gz RVGYRIQJNBNOGT-UHFFFAOYSA-N -1 1 663.015 6.354 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000198317539 571567605 /nfs/dbraw/zinc/56/76/05/571567605.db2.gz WESPPHBEWUMCSF-UHFFFAOYSA-N -1 1 628.570 5.701 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000198320132 571567816 /nfs/dbraw/zinc/56/78/16/571567816.db2.gz JLRSMTUXIBMBQX-UHFFFAOYSA-N -1 1 649.669 5.357 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000198319801 571567885 /nfs/dbraw/zinc/56/78/85/571567885.db2.gz AITRMUPXGABOPS-UHFFFAOYSA-N -1 1 680.170 7.425 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccccc2)cc1 ZINC000206441850 571572662 /nfs/dbraw/zinc/57/26/62/571572662.db2.gz MXIWISUHQQNTQS-ZXVVBBHZSA-N -1 1 519.022 6.329 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000215925696 571587908 /nfs/dbraw/zinc/58/79/08/571587908.db2.gz OMCLQRQBEWKROG-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OCC ZINC000215951336 571589180 /nfs/dbraw/zinc/58/91/80/571589180.db2.gz SYPLYFNQBBLJCK-UHFFFAOYSA-N -1 1 536.572 5.875 40 0 KKABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1Cl ZINC000215969483 571590041 /nfs/dbraw/zinc/59/00/41/571590041.db2.gz POYULDHIXXHEDT-UHFFFAOYSA-N -1 1 582.409 5.437 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2Cl)cc1 ZINC000215971814 571590086 /nfs/dbraw/zinc/59/00/86/571590086.db2.gz VXTWZIMOFMPSLR-UHFFFAOYSA-N -1 1 606.125 6.656 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)c(Cl)c2)cc1 ZINC000215981467 571590712 /nfs/dbraw/zinc/59/07/12/571590712.db2.gz SFORFGLOOMTNPI-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)c2)cc1 ZINC000216018883 571592070 /nfs/dbraw/zinc/59/20/70/571592070.db2.gz OHMGHFDMTFQTOD-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000216208642 571593387 /nfs/dbraw/zinc/59/33/87/571593387.db2.gz YQCQFZBTZUIBHB-UHFFFAOYSA-N -1 1 661.427 5.737 40 0 KKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000216242364 571593836 /nfs/dbraw/zinc/59/38/36/571593836.db2.gz BEWLOQCJBCNXQU-QFIPXVFZSA-N -1 1 506.546 5.919 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Br ZINC000216348807 571595268 /nfs/dbraw/zinc/59/52/68/571595268.db2.gz VDIQMERSFCDBCO-UHFFFAOYSA-N -1 1 502.430 5.787 40 0 KKABMM COc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)ccc1OC(C)C ZINC000216431837 571596196 /nfs/dbraw/zinc/59/61/96/571596196.db2.gz HBEKVLZBQCNHKN-UHFFFAOYSA-N -1 1 503.020 5.175 40 0 KKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000216431130 571596202 /nfs/dbraw/zinc/59/62/02/571596202.db2.gz DIHKNMNHUXBRNI-DEOSSOPVSA-N -1 1 562.997 7.109 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000224897576 571627864 /nfs/dbraw/zinc/62/78/64/571627864.db2.gz RVEPOLMBRMSXBP-UHFFFAOYSA-N -1 1 514.934 5.464 40 0 KKABMM CCn1c(=O)sc2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)ccc21 ZINC000225107144 571647901 /nfs/dbraw/zinc/64/79/01/571647901.db2.gz KICOUSGTXXVWTA-UHFFFAOYSA-N -1 1 502.017 5.098 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2c(C)c(C)n(-c3cccc(Cl)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472901 571843206 /nfs/dbraw/zinc/84/32/06/571843206.db2.gz ONRPJCMOFVSWNK-IZLXSDGUSA-N -1 1 596.178 6.008 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)cc1[N-]S(C)(=O)=O ZINC000225474176 571844592 /nfs/dbraw/zinc/84/45/92/571844592.db2.gz UURPRXYEGOKMAT-RPBOFIJWSA-N -1 1 576.729 5.039 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000225475156 571845356 /nfs/dbraw/zinc/84/53/56/571845356.db2.gz VMRGIWODRIFWFY-LOSJGSFVSA-N -1 1 572.087 5.222 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478788 571848697 /nfs/dbraw/zinc/84/86/97/571848697.db2.gz XVFWVMVOSLANQL-WUFINQPMSA-N -1 1 561.733 5.105 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478184 571848726 /nfs/dbraw/zinc/84/87/26/571848726.db2.gz XDLJXBVMWWCGRO-CLJLJLNGSA-N -1 1 539.727 5.172 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SCc4ccccc4)s3)ccc2C)c1 ZINC000225479895 571850027 /nfs/dbraw/zinc/85/00/27/571850027.db2.gz KUOIKOPTUXMJJY-UHFFFAOYSA-N -1 1 524.693 5.809 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(F)(F)F)c2)cc1[N-]S(C)(=O)=O ZINC000225486293 571857022 /nfs/dbraw/zinc/85/70/22/571857022.db2.gz LOFQFYNMHYIHST-JWQCQUIFSA-N -1 1 587.649 5.448 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1[N-]S(C)(=O)=O ZINC000225489174 571859931 /nfs/dbraw/zinc/85/99/31/571859931.db2.gz ZKNFSPLMDMGKFZ-JWQCQUIFSA-N -1 1 552.703 5.383 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225490099 571860289 /nfs/dbraw/zinc/86/02/89/571860289.db2.gz XEIGRWGUJYYDRN-RPBOFIJWSA-N -1 1 538.626 5.038 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N-]S(C)(=O)=O ZINC000225491633 571861414 /nfs/dbraw/zinc/86/14/14/571861414.db2.gz ZHUIXXVSGAAEMB-LOSJGSFVSA-N -1 1 589.526 6.206 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N-]S(C)(=O)=O ZINC000225491290 571861607 /nfs/dbraw/zinc/86/16/07/571861607.db2.gz CGEBKEQGEDOWPA-RPBOFIJWSA-N -1 1 589.526 6.206 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N-]S(C)(=O)=O ZINC000225491601 571861616 /nfs/dbraw/zinc/86/16/16/571861616.db2.gz ZHUIXXVSGAAEMB-RPBOFIJWSA-N -1 1 589.526 6.206 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C)cc3Br)o2)cc1[N-]S(C)(=O)=O ZINC000225492209 571861980 /nfs/dbraw/zinc/86/19/80/571861980.db2.gz UKUCETPCFQKXFG-FTJBHMTQSA-N -1 1 613.559 5.970 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3Br)o2)cc1[N-]S(C)(=O)=O ZINC000225492317 571862551 /nfs/dbraw/zinc/86/25/51/571862551.db2.gz ZMSGCKDRHPTDCM-DQEYMECFSA-N -1 1 617.522 5.800 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2c(C)c(C)n(-c3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225494346 571864283 /nfs/dbraw/zinc/86/42/83/571864283.db2.gz XZTWWEDEIKAZKF-VSGBNLITSA-N -1 1 561.733 5.355 40 0 KKABMM COc1ccc(-c2nnc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)s2)cc1 ZINC000225639691 571991090 /nfs/dbraw/zinc/99/10/90/571991090.db2.gz RIVZODMDNUFBKR-UHFFFAOYSA-N -1 1 515.016 5.229 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2n1Cc1ccccc1 ZINC000225742336 572057596 /nfs/dbraw/zinc/05/75/96/572057596.db2.gz GEUOPDVUFASWJH-UHFFFAOYSA-N -1 1 530.715 6.380 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225787894 572068100 /nfs/dbraw/zinc/06/81/00/572068100.db2.gz ICWMAULQVIWGBR-UHFFFAOYSA-N -1 1 592.164 5.130 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225788099 572068118 /nfs/dbraw/zinc/06/81/18/572068118.db2.gz AKNQQCHLSFMTQQ-UHFFFAOYSA-N -1 1 507.036 6.233 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SCc4ccccc4)s3)ccc2C)cc1 ZINC000225885055 572080324 /nfs/dbraw/zinc/08/03/24/572080324.db2.gz XXZQNYSSQXZUEB-UHFFFAOYSA-N -1 1 510.666 5.500 40 0 KKABMM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)c(Br)c(Br)c1[O-] ZINC000261365702 572108548 /nfs/dbraw/zinc/10/85/48/572108548.db2.gz USOWZWSNSOLSHA-QFIPXVFZSA-O -1 1 603.316 5.641 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Cl)cc1Cl ZINC000408530389 572171244 /nfs/dbraw/zinc/17/12/44/572171244.db2.gz KTUYSVAXSRJDTB-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Br)c1 ZINC000408535071 572187549 /nfs/dbraw/zinc/18/75/49/572187549.db2.gz UMKOEAKLKZNKOH-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000238950190 572189535 /nfs/dbraw/zinc/18/95/35/572189535.db2.gz WXIZXILJEQMMHV-YARNLLMYSA-N -1 1 680.926 10.498 40 0 KKABMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000238950190 572189540 /nfs/dbraw/zinc/18/95/40/572189540.db2.gz WXIZXILJEQMMHV-YARNLLMYSA-N -1 1 680.926 10.498 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)ccc1C ZINC000408544277 572215270 /nfs/dbraw/zinc/21/52/70/572215270.db2.gz DSCWFTXOJUWELN-UHFFFAOYSA-N -1 1 614.543 5.920 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)ccc2C)c(C)c1 ZINC000408545417 572219051 /nfs/dbraw/zinc/21/90/51/572219051.db2.gz LJKZAZOLEDJPPY-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)cc1C ZINC000408545425 572219127 /nfs/dbraw/zinc/21/91/27/572219127.db2.gz LLOZZZWOJPJTAV-UHFFFAOYSA-N -1 1 519.667 5.727 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408545599 572219653 /nfs/dbraw/zinc/21/96/53/572219653.db2.gz WSNCCDOATVRXLG-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2)cc1OC ZINC000408545812 572221053 /nfs/dbraw/zinc/22/10/53/572221053.db2.gz ONPFTXBWIWQWGU-UHFFFAOYSA-N -1 1 649.669 5.601 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)ccc2C)c1 ZINC000408545824 572221114 /nfs/dbraw/zinc/22/11/14/572221114.db2.gz AJJIEPPCHJMBLC-UHFFFAOYSA-N -1 1 553.637 5.296 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408545897 572221523 /nfs/dbraw/zinc/22/15/23/572221523.db2.gz BFIVUCAPPNDKHE-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000408546099 572221979 /nfs/dbraw/zinc/22/19/79/572221979.db2.gz QQHJDHJUCXHPLW-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)c1 ZINC000408546225 572222039 /nfs/dbraw/zinc/22/20/39/572222039.db2.gz RPACLLDZBCXVNW-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408546390 572222595 /nfs/dbraw/zinc/22/25/95/572222595.db2.gz RZFBCVRXCKSDTG-UHFFFAOYSA-N -1 1 632.135 5.821 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1C ZINC000408546516 572223225 /nfs/dbraw/zinc/22/32/25/572223225.db2.gz FAPYETCUMFQAHU-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2C)cc1 ZINC000408546971 572224717 /nfs/dbraw/zinc/22/47/17/572224717.db2.gz HYZSMLQXXYKLGG-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408547473 572225569 /nfs/dbraw/zinc/22/55/69/572225569.db2.gz JUGRZOWPYMKACD-MHZLTWQESA-N -1 1 636.073 6.779 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)ccc2C)c1C ZINC000408547650 572226385 /nfs/dbraw/zinc/22/63/85/572226385.db2.gz KQMQSMOEMYIGEU-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)ccc2C)c1 ZINC000408547818 572227379 /nfs/dbraw/zinc/22/73/79/572227379.db2.gz NJDUYGAUMUOJEW-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2C)c(C)c1 ZINC000408548210 572228257 /nfs/dbraw/zinc/22/82/57/572228257.db2.gz QMECFYPVTNOBHM-UHFFFAOYSA-N -1 1 517.607 5.188 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408549066 572230690 /nfs/dbraw/zinc/23/06/90/572230690.db2.gz WJIMNWHSYMBJDO-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(I)cc1 ZINC000408550244 572233845 /nfs/dbraw/zinc/23/38/45/572233845.db2.gz BUNFUYUOOPHZDH-UHFFFAOYSA-N -1 1 577.227 5.416 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cc(Cl)ccc1Cl ZINC000408550537 572234262 /nfs/dbraw/zinc/23/42/62/572234262.db2.gz DFGKPMCAKKLPSP-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408553167 572239981 /nfs/dbraw/zinc/23/99/81/572239981.db2.gz OLNZUTNRSRLRPT-UHFFFAOYSA-N -1 1 507.439 5.937 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408554423 572241973 /nfs/dbraw/zinc/24/19/73/572241973.db2.gz CQUAZSOWHVXZTQ-UHFFFAOYSA-N -1 1 543.428 6.604 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000408556086 572243522 /nfs/dbraw/zinc/24/35/22/572243522.db2.gz HNKVNQUBXLNQRB-UHFFFAOYSA-N -1 1 543.428 6.604 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408558567 572245818 /nfs/dbraw/zinc/24/58/18/572245818.db2.gz RXQREOHVMGKIGF-UHFFFAOYSA-N -1 1 501.391 6.208 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559115 572246484 /nfs/dbraw/zinc/24/64/84/572246484.db2.gz VOESZIBKXPGDEB-UHFFFAOYSA-N -1 1 525.051 6.553 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559752 572246999 /nfs/dbraw/zinc/24/69/99/572246999.db2.gz YNGGYSNNDKBAJL-UHFFFAOYSA-N -1 1 519.328 6.074 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1Sc1ccccc1 ZINC000408559820 572247041 /nfs/dbraw/zinc/24/70/41/572247041.db2.gz WSMJOVAJAMEHLE-UHFFFAOYSA-N -1 1 559.496 6.963 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)c1 ZINC000408586071 572266190 /nfs/dbraw/zinc/26/61/90/572266190.db2.gz ABNDTRHEFXHLMY-UHFFFAOYSA-N -1 1 515.802 5.474 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000408587947 572266704 /nfs/dbraw/zinc/26/67/04/572266704.db2.gz VAURUPBINSRQLH-UHFFFAOYSA-N -1 1 531.030 5.749 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccccc4C)c3)ccc21 ZINC000408588963 572267118 /nfs/dbraw/zinc/26/71/18/572267118.db2.gz DFVZCGMHFWHMRN-UHFFFAOYSA-N -1 1 513.619 6.185 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000408592797 572268843 /nfs/dbraw/zinc/26/88/43/572268843.db2.gz ORUGWGZZCKZWIP-UHFFFAOYSA-N -1 1 521.038 5.749 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408595825 572270471 /nfs/dbraw/zinc/27/04/71/572270471.db2.gz VAJZKSXSIQUALZ-UHFFFAOYSA-N -1 1 555.439 6.043 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1OC ZINC000408601586 572272874 /nfs/dbraw/zinc/27/28/74/572272874.db2.gz APHQHXVNVFFWLR-UHFFFAOYSA-N -1 1 587.698 5.346 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000408602819 572273335 /nfs/dbraw/zinc/27/33/35/572273335.db2.gz JCGDTFFQBZMTJY-UHFFFAOYSA-N -1 1 552.880 6.196 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(OC)c4)cc3)ccc21 ZINC000408604265 572273978 /nfs/dbraw/zinc/27/39/78/572273978.db2.gz LPZHIPXQEZCVNF-UHFFFAOYSA-N -1 1 529.618 5.641 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000408605887 572274657 /nfs/dbraw/zinc/27/46/57/572274657.db2.gz NTWFSWQXDUVEBM-UHFFFAOYSA-N -1 1 508.983 5.951 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Sc3ccccc3)cc2)c1 ZINC000408606977 572275050 /nfs/dbraw/zinc/27/50/50/572275050.db2.gz PNWVYVXJVKOZRL-UHFFFAOYSA-N -1 1 520.632 5.665 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408608528 572275544 /nfs/dbraw/zinc/27/55/44/572275544.db2.gz RHNNGVJVFOAFOK-UHFFFAOYSA-N -1 1 587.325 6.849 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408610411 572276087 /nfs/dbraw/zinc/27/60/87/572276087.db2.gz UELMUTQVZHZPGW-UHFFFAOYSA-N -1 1 501.004 5.658 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408613929 572277552 /nfs/dbraw/zinc/27/75/52/572277552.db2.gz YXVARPYPGRVFLV-UHFFFAOYSA-N -1 1 504.995 5.933 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1C ZINC000408622832 572282378 /nfs/dbraw/zinc/28/23/78/572282378.db2.gz WBMKIQVVVMRJQM-UHFFFAOYSA-N -1 1 517.573 5.085 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1 ZINC000408625533 572283488 /nfs/dbraw/zinc/28/34/88/572283488.db2.gz VMBWQFYBACDPEE-UHFFFAOYSA-N -1 1 500.664 6.516 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000408631416 572287582 /nfs/dbraw/zinc/28/75/82/572287582.db2.gz DUCDPVQAPZHLOQ-ROTLSHHCSA-N -1 1 568.051 6.338 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)[O-])n1 ZINC000408631442 572287618 /nfs/dbraw/zinc/28/76/18/572287618.db2.gz JDDROMZFYNQBEW-UUYOSTAYSA-N -1 1 528.417 6.584 40 0 KKABMM O=C([O-])C(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631621 572287728 /nfs/dbraw/zinc/28/77/28/572287728.db2.gz ACPWETCQNZGWKV-NHDPSOOVSA-N -1 1 532.836 7.229 40 0 KKABMM COC(=O)c1ccc(-c2ccc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])o2)cc1 ZINC000408631927 572288194 /nfs/dbraw/zinc/28/81/94/572288194.db2.gz HGNVWCGTSVFCOC-NDENLUEZSA-N -1 1 511.943 5.398 40 0 KKABMM CCCCOc1ccc2ccccc2c1C=C(Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(=O)[O-] ZINC000408631870 572288226 /nfs/dbraw/zinc/28/82/26/572288226.db2.gz MMTPWJXBCYUXOX-HAHDFKILSA-N -1 1 510.015 6.684 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[O-])n1 ZINC000408632138 572288440 /nfs/dbraw/zinc/28/84/40/572288440.db2.gz HOZXXJPDWABVLP-GRSHGNNSSA-N -1 1 522.797 6.918 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OCc4ccccc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408632502 572288826 /nfs/dbraw/zinc/28/88/26/572288826.db2.gz JGXMPQIUGRWZEZ-KSEXSDGBSA-N -1 1 645.475 5.899 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)[O-])n1 ZINC000408632477 572288833 /nfs/dbraw/zinc/28/88/33/572288833.db2.gz QLENYSKWSQDYAJ-KSEXSDGBSA-N -1 1 537.981 5.659 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])n1 ZINC000408632513 572288844 /nfs/dbraw/zinc/28/88/44/572288844.db2.gz JIVLSURIHXVTBK-ODLFYWEKSA-N -1 1 532.803 6.374 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(Sc3ccc(C)cc3)o2)C(=O)[O-])n1 ZINC000408632463 572288874 /nfs/dbraw/zinc/28/88/74/572288874.db2.gz QHAKCYBIAUOHON-UNOMPAQXSA-N -1 1 500.001 6.404 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408632449 572288888 /nfs/dbraw/zinc/28/88/88/572288888.db2.gz QDEWWGFMMPCAPN-CFRMEGHHSA-N -1 1 556.015 6.468 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n1 ZINC000408632560 572288942 /nfs/dbraw/zinc/28/89/42/572288942.db2.gz RIVXZCWCRAUIKU-RMORIDSASA-N -1 1 592.888 7.246 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC000408632788 572289242 /nfs/dbraw/zinc/28/92/42/572289242.db2.gz SOWDENWDYJRPIN-UUYOSTAYSA-N -1 1 528.417 6.584 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(-c4ccccc4)n(-c4ccc(C)cc4)c3-c3ccccc3)C(=O)[O-])n2)c1 ZINC000408632823 572289294 /nfs/dbraw/zinc/28/92/94/572289294.db2.gz KQZARBGEEHUFMS-QXPFVDMISA-N -1 1 614.727 8.140 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(I)c1O ZINC000408633682 572290515 /nfs/dbraw/zinc/29/05/15/572290515.db2.gz LMQLKWLWLSZSMT-DHDCSXOGSA-N -1 1 543.770 5.052 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408633766 572290628 /nfs/dbraw/zinc/29/06/28/572290628.db2.gz PBJFGHQEGQRMOF-YSMPRRRNSA-N -1 1 561.063 6.672 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4cccc(Cl)c4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408634005 572290975 /nfs/dbraw/zinc/29/09/75/572290975.db2.gz QWWRBAONJGVQFO-MXAYSNPKSA-N -1 1 547.036 6.363 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408634009 572290984 /nfs/dbraw/zinc/29/09/84/572290984.db2.gz QXOJOANVIVUHHT-MWLSYYOVSA-N -1 1 562.651 6.863 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)C(=O)[O-])n2)c1 ZINC000408634137 572291051 /nfs/dbraw/zinc/29/10/51/572291051.db2.gz RKOLPYZOKLJEQA-FMCGGJTJSA-N -1 1 558.443 6.593 40 0 KKABMM O=C([O-])C(=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634116 572291080 /nfs/dbraw/zinc/29/10/80/572291080.db2.gz PGKYPPKHJVIBIO-QRVIBDJDSA-N -1 1 521.429 6.999 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634487 572291479 /nfs/dbraw/zinc/29/14/79/572291479.db2.gz VFBVKUCNAYRLPQ-MYKKPKGFSA-N -1 1 537.569 5.433 40 0 KKABMM CCn1c(S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634897 572291984 /nfs/dbraw/zinc/29/19/84/572291984.db2.gz XTAMWKWPJTYTIV-IUXPMGMMSA-N -1 1 540.823 5.322 40 0 KKABMM O=C([O-])C(=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635265 572292347 /nfs/dbraw/zinc/29/23/47/572292347.db2.gz YSPDCEDSNZFCFO-MTJSOVHGSA-N -1 1 532.836 7.229 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000408636704 572293532 /nfs/dbraw/zinc/29/35/32/572293532.db2.gz TXDWQMLGJROODH-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408637283 572294235 /nfs/dbraw/zinc/29/42/35/572294235.db2.gz ZMPQEWQVWXHNNZ-UHFFFAOYSA-N -1 1 502.436 6.086 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000408678126 572319589 /nfs/dbraw/zinc/31/95/89/572319589.db2.gz GBLDCUKEFPYYMH-UHFFFAOYSA-N -1 1 614.548 5.422 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423092 1069717871 /nfs/dbraw/zinc/71/78/71/1069717871.db2.gz AIZCQBAPMAOTSK-UHFFFAOYSA-N -1 1 623.109 7.745 40 0 KKABMM COC(=O)c1ccccc1-c1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)o1 ZINC000108423145 1069718458 /nfs/dbraw/zinc/71/84/58/1069718458.db2.gz WNFQPYSFTBFRJA-UHFFFAOYSA-N -1 1 560.610 6.313 40 0 KKABMM CCOc1ccc(Cl)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423205 1069719490 /nfs/dbraw/zinc/71/94/90/1069719490.db2.gz KJGKSHITKZLQSI-UHFFFAOYSA-N -1 1 515.013 6.318 40 0 KKABMM COc1cc(Br)c(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423360 1069720092 /nfs/dbraw/zinc/72/00/92/1069720092.db2.gz ORFFUDSBDBFHRR-UHFFFAOYSA-N -1 1 575.463 6.046 40 0 KKABMM COc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1Br ZINC000108423443 1069721115 /nfs/dbraw/zinc/72/11/15/1069721115.db2.gz HCPNMVDWPZKVJY-UHFFFAOYSA-N -1 1 545.437 6.037 40 0 KKABMM CCCOc1c(Br)cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423384 1069721376 /nfs/dbraw/zinc/72/13/76/1069721376.db2.gz KOQNSRRRVGFTFI-UHFFFAOYSA-N -1 1 603.517 6.826 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000108423504 1069722100 /nfs/dbraw/zinc/72/21/00/1069722100.db2.gz AZZIRZICELMVEC-UHFFFAOYSA-N -1 1 564.730 7.567 40 0 KKABMM O=c1/c(=C\c2cc(I)cc(I)c2[O-])sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000408839339 1070040971 /nfs/dbraw/zinc/04/09/71/1070040971.db2.gz QWIPHHNAQBNXRL-WYWXSHKMSA-N -1 1 694.357 5.295 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CSCc4ccccc4)cc3)cc2)c1 ZINC000408906851 1070181287 /nfs/dbraw/zinc/18/12/87/1070181287.db2.gz JDRRWQMWPSYSOP-UHFFFAOYSA-N -1 1 516.688 6.790 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000408906875 1070181424 /nfs/dbraw/zinc/18/14/24/1070181424.db2.gz DTZQPPGJIRHPEF-UHFFFAOYSA-N -1 1 523.079 6.827 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000408920381 1070226203 /nfs/dbraw/zinc/22/62/03/1070226203.db2.gz FLMNUSSSJDGOTL-UHFFFAOYSA-N -1 1 686.561 7.264 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2cccc(Br)c2)cc1 ZINC000408921038 1070228351 /nfs/dbraw/zinc/22/83/51/1070228351.db2.gz REZMWNKIPXKGAP-UHFFFAOYSA-N -1 1 539.904 6.084 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408921076 1070228547 /nfs/dbraw/zinc/22/85/47/1070228547.db2.gz RSDLUXARVNVNCR-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408926154 1070238003 /nfs/dbraw/zinc/23/80/03/1070238003.db2.gz POMONZCXFGEMBF-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C)cc2)cc1Br ZINC000408926823 1070238926 /nfs/dbraw/zinc/23/89/26/1070238926.db2.gz RJQVKHZJRBYIRE-UHFFFAOYSA-N -1 1 644.569 5.401 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408927612 1070247478 /nfs/dbraw/zinc/24/74/78/1070247478.db2.gz YIUGYSLHKMNAJO-UHFFFAOYSA-N -1 1 648.590 6.254 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409005082 1070380483 /nfs/dbraw/zinc/38/04/83/1070380483.db2.gz ZBVHVDYIUJABBG-UHFFFAOYSA-N -1 1 510.015 6.012 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)cc1Cl ZINC000409171968 1070587999 /nfs/dbraw/zinc/58/79/99/1070587999.db2.gz FXHGPTPPJZVVGK-HKBQPEDESA-N -1 1 606.169 6.518 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000409172389 1070588424 /nfs/dbraw/zinc/58/84/24/1070588424.db2.gz GWDUMSLLEFOWHR-CVKSISIWSA-N -1 1 523.441 6.974 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(Br)c(Br)c1OCc1ccccc1 ZINC000409254093 1070686856 /nfs/dbraw/zinc/68/68/56/1070686856.db2.gz CTOBXFSGJGEOCF-UHFFFAOYSA-N -1 1 590.337 7.445 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000409335726 1070855340 /nfs/dbraw/zinc/85/53/40/1070855340.db2.gz ZASVARJHIICZDT-UHFFFAOYSA-N -1 1 638.089 6.545 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(CSCc2ccccc2)cc1 ZINC000408907250 1070891852 /nfs/dbraw/zinc/89/18/52/1070891852.db2.gz NLPAPMNYFYCTCH-UHFFFAOYSA-N -1 1 567.530 6.936 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000409410458 1070920493 /nfs/dbraw/zinc/92/04/93/1070920493.db2.gz XHRTVFRYKUWUKI-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000409411073 1070921106 /nfs/dbraw/zinc/92/11/06/1070921106.db2.gz TYBUOKUTXIYAOI-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(I)cc1 ZINC000409411110 1070921216 /nfs/dbraw/zinc/92/12/16/1070921216.db2.gz CFTNJXPZFWTPCR-UHFFFAOYSA-N -1 1 546.308 5.363 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)cc2)cc1 ZINC000409411838 1070922328 /nfs/dbraw/zinc/92/23/28/1070922328.db2.gz LXPFSEDNVMHQDR-UHFFFAOYSA-N -1 1 537.106 7.302 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000409412550 1070928045 /nfs/dbraw/zinc/92/80/45/1070928045.db2.gz XFTWNSCNIOSTLU-UHFFFAOYSA-N -1 1 706.979 7.609 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409409132 1070927306 /nfs/dbraw/zinc/92/73/06/1070927306.db2.gz NICDPIAIZUZGAF-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM O=C1S/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N1CCc1ccccc1 ZINC000409007398 1071066955 /nfs/dbraw/zinc/06/69/55/1071066955.db2.gz PXBWGGTVSCGYPS-DHDCSXOGSA-N -1 1 530.181 5.038 40 0 KKABMM O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408927019 1071070908 /nfs/dbraw/zinc/07/09/08/1071070908.db2.gz XKOHDLWZGOLEHY-UHFFFAOYSA-N -1 1 600.516 5.084 40 0 KKABMM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OC ZINC000408925891 1071076246 /nfs/dbraw/zinc/07/62/46/1071076246.db2.gz RQYXRGGKJXLBES-UHFFFAOYSA-N -1 1 528.936 5.358 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408924927 1071080236 /nfs/dbraw/zinc/08/02/36/1071080236.db2.gz QSGYFLRIRPFWAQ-UHFFFAOYSA-N -1 1 593.727 5.255 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000408922363 1071091829 /nfs/dbraw/zinc/09/18/29/1071091829.db2.gz ZRKXKMHHLUPGBN-UHFFFAOYSA-N -1 1 644.171 5.609 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408921420 1071095364 /nfs/dbraw/zinc/09/53/64/1071095364.db2.gz ACAUPQHGOUDZDE-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000408920818 1071098700 /nfs/dbraw/zinc/09/87/00/1071098700.db2.gz OCTNRBCOKKIEIE-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1)c1ccccc1 ZINC000408920601 1071103524 /nfs/dbraw/zinc/10/35/24/1071103524.db2.gz JXVDUGWTFGOGKV-UHFFFAOYSA-N -1 1 585.707 5.859 40 0 KKABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408920434 1071105096 /nfs/dbraw/zinc/10/50/96/1071105096.db2.gz HOEOVSNJXZXYET-UHFFFAOYSA-N -1 1 599.734 6.091 40 0 KKABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408920210 1071105799 /nfs/dbraw/zinc/10/57/99/1071105799.db2.gz BIJNBWYNFIBDOT-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408920177 1071110592 /nfs/dbraw/zinc/11/05/92/1071110592.db2.gz AGGBMPZFRHNQLY-UHFFFAOYSA-N -1 1 654.088 6.002 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000408927804 1071190889 /nfs/dbraw/zinc/19/08/89/1071190889.db2.gz RLPFEQGRFOANKM-JUTHHCEFSA-N -1 1 662.336 5.491 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000408927806 1071191010 /nfs/dbraw/zinc/19/10/10/1071191010.db2.gz RLPFEQGRFOANKM-VVOOWDFBSA-N -1 1 662.336 5.491 40 0 KKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c(C)c1 ZINC000408682308 1071370477 /nfs/dbraw/zinc/37/04/77/1071370477.db2.gz XCFMSYWWGZKFSK-MRXNPFEDSA-N -1 1 526.964 6.182 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000408681617 1071374202 /nfs/dbraw/zinc/37/42/02/1071374202.db2.gz YVGZIACFFLPMTL-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408681154 1071376663 /nfs/dbraw/zinc/37/66/63/1071376663.db2.gz PPWFQZBSMOFQKV-HXUWFJFHSA-N -1 1 507.381 5.185 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1OCC ZINC000408695923 1071382186 /nfs/dbraw/zinc/38/21/86/1071382186.db2.gz UZVYXFRSENBDJC-UHFFFAOYSA-N -1 1 544.573 5.104 40 0 KKABMM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408694915 1071386465 /nfs/dbraw/zinc/38/64/65/1071386465.db2.gz JQHPUICDQHNIES-FQEVSTJZSA-N -1 1 519.417 5.055 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cccc(Cl)c1 ZINC000408694445 1071387656 /nfs/dbraw/zinc/38/76/56/1071387656.db2.gz HFEXXTLIXNKQDC-UHFFFAOYSA-N -1 1 590.938 5.633 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000408693291 1071392605 /nfs/dbraw/zinc/39/26/05/1071392605.db2.gz MUUDGDUSXKNZKC-UHFFFAOYSA-N -1 1 598.530 5.230 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408692988 1071393208 /nfs/dbraw/zinc/39/32/08/1071393208.db2.gz AJAQTPWLALSFHL-UHFFFAOYSA-N -1 1 592.139 5.275 40 0 KKABMM O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408693925 1071389540 /nfs/dbraw/zinc/38/95/40/1071389540.db2.gz BZGCSTUFDHUBHZ-UHFFFAOYSA-N -1 1 605.591 5.460 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1OCC ZINC000408694188 1071389790 /nfs/dbraw/zinc/38/97/90/1071389790.db2.gz FBQKCKRSKQZKDX-UHFFFAOYSA-N -1 1 525.048 5.047 40 0 KKABMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Br)cc2)=C([O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408689791 1071411121 /nfs/dbraw/zinc/41/11/21/1071411121.db2.gz ZBFANUDTLZSIIN-QFIPXVFZSA-N -1 1 540.262 6.363 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704948 1071437092 /nfs/dbraw/zinc/43/70/92/1071437092.db2.gz WAYOGNXBESQVCV-GDLZYMKVSA-N -1 1 680.557 7.840 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)cc2)c1 ZINC000408704402 1071439746 /nfs/dbraw/zinc/43/97/46/1071439746.db2.gz MYBOERXQMOARGJ-HKBQPEDESA-N -1 1 606.169 6.784 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000408703860 1071441962 /nfs/dbraw/zinc/44/19/62/1071441962.db2.gz ZWKGLBUSDHJPEI-UHFFFAOYSA-N -1 1 604.965 5.941 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000408704143 1071440499 /nfs/dbraw/zinc/44/04/99/1071440499.db2.gz XYRBCSBGWOBJPK-UHFFFAOYSA-N -1 1 602.159 5.940 40 0 KKABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408702639 1071447936 /nfs/dbraw/zinc/44/79/36/1071447936.db2.gz NAHFBBLVTRHCBY-UHFFFAOYSA-N -1 1 660.637 6.439 40 0 KKABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408700531 1071454493 /nfs/dbraw/zinc/45/44/93/1071454493.db2.gz HNKSIKPQUZWYQQ-UHFFFAOYSA-N -1 1 684.183 7.349 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2)cc1 ZINC000408700274 1071456143 /nfs/dbraw/zinc/45/61/43/1071456143.db2.gz CFFZZZZICANPOF-UHFFFAOYSA-N -1 1 616.186 6.249 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408715014 1071471851 /nfs/dbraw/zinc/47/18/51/1071471851.db2.gz WCXGQXPTFOIHAM-UHFFFAOYSA-N -1 1 580.153 5.290 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCCC1 ZINC000408714808 1071472558 /nfs/dbraw/zinc/47/25/58/1071472558.db2.gz PAFIDWMVCQJLDO-UHFFFAOYSA-N -1 1 600.571 5.553 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714796 1071472675 /nfs/dbraw/zinc/47/26/75/1071472675.db2.gz OQDLKLFSNTXLCT-UHFFFAOYSA-N -1 1 587.789 5.499 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C(=O)N1CCCCCC1 ZINC000408714730 1071474439 /nfs/dbraw/zinc/47/44/39/1071474439.db2.gz LWNIRBGSGPFLEG-UHFFFAOYSA-N -1 1 540.776 6.826 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714596 1071476248 /nfs/dbraw/zinc/47/62/48/1071476248.db2.gz IPNMTLHHZKQOGV-UHFFFAOYSA-N -1 1 573.762 5.191 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714582 1071476302 /nfs/dbraw/zinc/47/63/02/1071476302.db2.gz HAIWAIHGRIVCDN-UHFFFAOYSA-N -1 1 587.789 5.499 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714615 1071476979 /nfs/dbraw/zinc/47/69/79/1071476979.db2.gz KSWADJXPJJFLDJ-UHFFFAOYSA-N -1 1 609.795 6.180 40 0 KKABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000408712341 1071484180 /nfs/dbraw/zinc/48/41/80/1071484180.db2.gz OWIKQNGBDLOAMQ-KRWDZBQOSA-N -1 1 570.520 5.204 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2)S(C)(=O)=O)c1 ZINC000408712355 1071485015 /nfs/dbraw/zinc/48/50/15/1071485015.db2.gz QJXBQVFNJLFORM-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)c1cccc(Cl)c1Cl ZINC000408712373 1071485033 /nfs/dbraw/zinc/48/50/33/1071485033.db2.gz RZSNIVHUGAXNLV-UHFFFAOYSA-N -1 1 638.982 6.666 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)c1cccc(Cl)c1 ZINC000408712151 1071486405 /nfs/dbraw/zinc/48/64/05/1071486405.db2.gz HNDFYPRHBZRJKW-UHFFFAOYSA-N -1 1 604.537 6.013 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)cc2C)cc1 ZINC000408712168 1071487281 /nfs/dbraw/zinc/48/72/81/1071487281.db2.gz LIGMMRZDLPUMIW-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408712199 1071487934 /nfs/dbraw/zinc/48/79/34/1071487934.db2.gz RDBBDBWWGRMVSX-UHFFFAOYSA-N -1 1 632.533 5.608 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000408712238 1071488661 /nfs/dbraw/zinc/48/86/61/1071488661.db2.gz ZKVKHVPGIUXCEO-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408712134 1071490332 /nfs/dbraw/zinc/49/03/32/1071490332.db2.gz BGAZVDAKEOTDJB-KRWDZBQOSA-N -1 1 604.072 5.570 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)S(C)(=O)=O)c1 ZINC000408711521 1071494689 /nfs/dbraw/zinc/49/46/89/1071494689.db2.gz SCCTZEJWJZADGV-UHFFFAOYSA-N -1 1 599.734 6.168 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408711319 1071497094 /nfs/dbraw/zinc/49/70/94/1071497094.db2.gz HMTXLCBBDIALML-UHFFFAOYSA-N -1 1 584.547 5.596 40 0 KKABMM CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000408711325 1071497247 /nfs/dbraw/zinc/49/72/47/1071497247.db2.gz IITRLBZWCSENHC-UHFFFAOYSA-N -1 1 565.717 5.343 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4c(Cl)cccc4Cl)S(C)(=O)=O)cc3)cc2)c1 ZINC000408711413 1071499735 /nfs/dbraw/zinc/49/97/35/1071499735.db2.gz UEGWXGBNEVSIDR-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000408711179 1071500255 /nfs/dbraw/zinc/50/02/55/1071500255.db2.gz DAQVKKYMSHMFGI-UHFFFAOYSA-N -1 1 571.680 6.002 40 0 KKABMM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408711196 1071501143 /nfs/dbraw/zinc/50/11/43/1071501143.db2.gz GWLHRAHNFUOFCS-UHFFFAOYSA-N -1 1 672.534 7.032 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409059798 1072037443 /nfs/dbraw/zinc/03/74/43/1072037443.db2.gz OMPYVTHDDYSTGR-GOWBIRFASA-N -1 1 751.824 5.670 40 0 KKABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br ZINC000409059773 1072039380 /nfs/dbraw/zinc/03/93/80/1072039380.db2.gz OGTIHSFQSMHEMS-NCBZSOBPSA-N -1 1 778.257 5.041 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409095633 1072239068 /nfs/dbraw/zinc/23/90/68/1072239068.db2.gz BORKENCONOIFSQ-GFPOGIEWSA-N -1 1 719.639 5.645 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409090483 1072280594 /nfs/dbraw/zinc/28/05/94/1072280594.db2.gz QVYZJIKMTQMMEL-CKAVDDEVSA-N -1 1 642.784 5.206 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409102068 1072310516 /nfs/dbraw/zinc/31/05/16/1072310516.db2.gz UQUBMSXWVXODRT-JCXLJCJISA-N -1 1 604.754 5.250 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409102064 1072310675 /nfs/dbraw/zinc/31/06/75/1072310675.db2.gz UQUBMSXWVXODRT-IDGUORLLSA-N -1 1 604.754 5.250 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000409335375 1072339871 /nfs/dbraw/zinc/33/98/71/1072339871.db2.gz ZKGVACKRPXEQGE-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c(C)c1 ZINC000409122162 1072423464 /nfs/dbraw/zinc/42/34/64/1072423464.db2.gz YEDDWPYTXYPAGI-UHFFFAOYSA-N -1 1 532.993 5.886 40 0 KKABMM COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)c(Br)c1[O-] ZINC000409124532 1072466520 /nfs/dbraw/zinc/46/65/20/1072466520.db2.gz KVCSFPQTOJVGAP-MDWZMJQESA-N -1 1 505.228 5.542 40 0 KKABMM Cc1ccc(COc2ccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)cc2)cc1 ZINC000409373648 1072624704 /nfs/dbraw/zinc/62/47/04/1072624704.db2.gz YFOGRJDUKVQMCF-UHFFFAOYSA-N -1 1 556.666 7.562 40 0 KKABMM COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409148251 1072644300 /nfs/dbraw/zinc/64/43/00/1072644300.db2.gz YABKDMFBMZXLGC-RVDMUPIBSA-N -1 1 527.234 5.595 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(I)c(OCc3cccc4ccccc43)c(I)c2)cc1 ZINC000409371697 1072648290 /nfs/dbraw/zinc/64/82/90/1072648290.db2.gz JUEKENFFFZCIET-UHFFFAOYSA-N -1 1 844.491 9.616 40 0 KKABMM CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409166039 1072652146 /nfs/dbraw/zinc/65/21/46/1072652146.db2.gz CGFCCJCMVMOCEY-KPKJPENVSA-N -1 1 516.573 5.067 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(Cl)cc3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409370666 1072652954 /nfs/dbraw/zinc/65/29/54/1072652954.db2.gz ADHMOABEEJAMRR-UHFFFAOYSA-N -1 1 537.019 7.588 40 0 KKABMM CCOc1ccc2ccccc2c1C(c1c(=O)[nH][n-]c1-c1ccc(C)cc1)c1c(=O)[nH][nH]c1-c1ccc(C)cc1 ZINC000409368999 1072661923 /nfs/dbraw/zinc/66/19/23/1072661923.db2.gz WSYJIJOSSDKWSO-UHFFFAOYSA-N -1 1 530.628 7.227 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(I)c(OCc3ccccc3)c(I)c2)cc1 ZINC000409368646 1072663626 /nfs/dbraw/zinc/66/36/26/1072663626.db2.gz GDCZRSSLFDBJBB-UHFFFAOYSA-N -1 1 794.431 8.463 40 0 KKABMM CCOc1c(Br)cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1OC ZINC000409368478 1072664905 /nfs/dbraw/zinc/66/49/05/1072664905.db2.gz XWCJJODWLVXKHS-UHFFFAOYSA-N -1 1 589.490 6.845 40 0 KKABMM CCOC(=O)c1cccc(-c2ccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)o2)c1 ZINC000409367903 1072667741 /nfs/dbraw/zinc/66/77/41/1072667741.db2.gz JHJGUQSBUPAGFB-UHFFFAOYSA-N -1 1 574.637 7.112 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409367595 1072669417 /nfs/dbraw/zinc/66/94/17/1072669417.db2.gz BGIFBXCVMGAEAN-UHFFFAOYSA-N -1 1 734.876 9.432 40 0 KKABMM CCOc1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c(OCC)c1 ZINC000409367661 1072669933 /nfs/dbraw/zinc/66/99/33/1072669933.db2.gz HPGAPMLIYPERLY-UHFFFAOYSA-N -1 1 524.621 6.472 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000409367455 1072670333 /nfs/dbraw/zinc/67/03/33/1072670333.db2.gz AFBFIMLMPDTOJI-UHFFFAOYSA-N -1 1 586.692 7.653 40 0 KKABMM COC(=O)c1cc(-c2ccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)o2)ccc1Cl ZINC000409367525 1072671132 /nfs/dbraw/zinc/67/11/32/1072671132.db2.gz DCPXCDNUWKGRSB-UHFFFAOYSA-N -1 1 595.055 7.375 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409176743 1072706834 /nfs/dbraw/zinc/70/68/34/1072706834.db2.gz WINNSCAYQGHZNX-UMSFTDKQSA-N -1 1 607.757 6.710 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)cc2)cc1Cl ZINC000409176530 1072711684 /nfs/dbraw/zinc/71/16/84/1072711684.db2.gz QFVNRJVRYJFIOP-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000409175426 1072716057 /nfs/dbraw/zinc/71/60/57/1072716057.db2.gz YYYUYAXAOYGNEF-UHFFFAOYSA-N -1 1 549.423 6.685 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2ccc(F)cc2)cc1OC ZINC000409173651 1072727265 /nfs/dbraw/zinc/72/72/65/1072727265.db2.gz NRHTZPSDVVPYGD-UHFFFAOYSA-N -1 1 668.552 5.785 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(F)cc2)cc1OC ZINC000409173132 1072729394 /nfs/dbraw/zinc/72/93/94/1072729394.db2.gz KLIJMEVRPQARDJ-UHFFFAOYSA-N -1 1 648.134 5.440 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2ccc(F)cc2)cc1OC ZINC000409172766 1072732658 /nfs/dbraw/zinc/73/26/58/1072732658.db2.gz IIPGQBWYJBDGTK-UHFFFAOYSA-N -1 1 648.134 5.440 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000409171507 1072739650 /nfs/dbraw/zinc/73/96/50/1072739650.db2.gz CMSPFRWLBDFNGK-UHFFFAOYSA-N -1 1 695.988 5.888 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccccc2)cc1OC ZINC000409171438 1072740953 /nfs/dbraw/zinc/74/09/53/1072740953.db2.gz BJBBOZYAGDRDBQ-UHFFFAOYSA-N -1 1 631.732 5.492 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cccc(Cl)c2)cc1 ZINC000409184722 1072775907 /nfs/dbraw/zinc/77/59/07/1072775907.db2.gz ZYEIFMAPAZPPIS-UHFFFAOYSA-N -1 1 634.563 5.945 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2C)c1 ZINC000409411736 1072793674 /nfs/dbraw/zinc/79/36/74/1072793674.db2.gz ZKVPTFIOFVJDCD-HSZRJFAPSA-N -1 1 541.673 6.156 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000409411584 1072794900 /nfs/dbraw/zinc/79/49/00/1072794900.db2.gz JTQTYHAHYLJIFC-UHFFFAOYSA-N -1 1 607.798 5.668 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409411591 1072795069 /nfs/dbraw/zinc/79/50/69/1072795069.db2.gz JXPSSSNYECFTFZ-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)ccc1Br ZINC000409411206 1072796852 /nfs/dbraw/zinc/79/68/52/1072796852.db2.gz UUDPFDQZDAHQOQ-UHFFFAOYSA-N -1 1 654.914 5.635 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)c1 ZINC000409411262 1072797180 /nfs/dbraw/zinc/79/71/80/1072797180.db2.gz VJOYNJORQWSQNH-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2C)c1 ZINC000409410805 1072800900 /nfs/dbraw/zinc/80/09/00/1072800900.db2.gz QGOZMTAUGAAILW-QFIPXVFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)ccc2C)c(C)c1 ZINC000409409321 1072810469 /nfs/dbraw/zinc/81/04/69/1072810469.db2.gz HKICZXDDHHEINL-UHFFFAOYSA-N -1 1 527.646 5.595 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)cc1C ZINC000409409334 1072811027 /nfs/dbraw/zinc/81/10/27/1072811027.db2.gz HRSGBKLOAOJBTQ-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)c1 ZINC000409409136 1072812651 /nfs/dbraw/zinc/81/26/51/1072812651.db2.gz NIPOHIWKXPRQEW-UHFFFAOYSA-N -1 1 593.727 5.088 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000409178896 1072814768 /nfs/dbraw/zinc/81/47/68/1072814768.db2.gz JNXNPKYTWBODRO-WJOKGBTCSA-N -1 1 606.169 6.518 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409408431 1072815439 /nfs/dbraw/zinc/81/54/39/1072815439.db2.gz CPJCGZLRZWRABB-UHFFFAOYSA-N -1 1 618.108 5.513 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000409407824 1072819902 /nfs/dbraw/zinc/81/99/02/1072819902.db2.gz AFNCJKLGEYYUIA-UHFFFAOYSA-N -1 1 589.617 5.868 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409177455 1072821982 /nfs/dbraw/zinc/82/19/82/1072821982.db2.gz FFSBQRYFQOGWOY-UHFFFAOYSA-N -1 1 614.145 5.682 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(Br)c(Br)c1OCc1ccccc1 ZINC000409270249 1073272141 /nfs/dbraw/zinc/27/21/41/1073272141.db2.gz OCUJMOXPHQFFHY-UHFFFAOYSA-N -1 1 576.310 7.055 40 0 KKABMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000000826737 551544819 /nfs/dbraw/zinc/54/48/19/551544819.db2.gz OYJBHLMVDDQTPM-UHFFFAOYSA-N -1 1 561.468 5.826 40 0 KKABMM Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(I)cc4)cc3[O-])nc2c1 ZINC000001057790 551600365 /nfs/dbraw/zinc/60/03/65/551600365.db2.gz QUQLDXDDGQJNLL-UHFFFAOYSA-N -1 1 500.292 5.131 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1 ZINC000008810149 553148199 /nfs/dbraw/zinc/14/81/99/553148199.db2.gz PRWROIXXGJZGAN-UHFFFAOYSA-N -1 1 504.967 5.489 40 0 KKABMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1Br ZINC000008833319 553160026 /nfs/dbraw/zinc/16/00/26/553160026.db2.gz QPQLRDCTUNJXMO-UHFFFAOYSA-N -1 1 512.385 5.407 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)cc3[O-])oc2c1 ZINC000008833329 553160366 /nfs/dbraw/zinc/16/03/66/553160366.db2.gz KNRRBBZQEANURP-UHFFFAOYSA-N -1 1 509.587 6.215 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)c2)cc1 ZINC000010313932 553332456 /nfs/dbraw/zinc/33/24/56/553332456.db2.gz ZMWVFIXUMQCJQE-UHFFFAOYSA-N -1 1 513.619 5.021 40 0 KKABMM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000010314894 553332958 /nfs/dbraw/zinc/33/29/58/553332958.db2.gz YHIBVDQDUGFRKJ-UHFFFAOYSA-N -1 1 501.446 5.945 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)ccc2C)cc1 ZINC000010328097 553333863 /nfs/dbraw/zinc/33/38/63/553333863.db2.gz XVWZUGJLQLLBOC-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000010334423 553334463 /nfs/dbraw/zinc/33/44/63/553334463.db2.gz JPSZSEDORNZAPN-OAQYLSRUSA-N -1 1 513.619 5.539 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccccc1SCc1ccccc1 ZINC000010365965 553335673 /nfs/dbraw/zinc/33/56/73/553335673.db2.gz VMFUUKDHVJTIPA-UHFFFAOYSA-N -1 1 509.052 6.685 40 0 KKABMM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000010368650 553335888 /nfs/dbraw/zinc/33/58/88/553335888.db2.gz YHGTXYFTEDJTKN-UHFFFAOYSA-N -1 1 515.473 6.119 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)ccc2C)c1 ZINC000014154384 553504159 /nfs/dbraw/zinc/50/41/59/553504159.db2.gz ZQMXINFDBQHYHS-UHFFFAOYSA-N -1 1 527.646 5.595 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2C)c(C)c1 ZINC000014154790 553504533 /nfs/dbraw/zinc/50/45/33/553504533.db2.gz RPYDFFFQNVKYLC-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2C)cc1 ZINC000014155525 553505102 /nfs/dbraw/zinc/50/51/02/553505102.db2.gz KVCPFJXKZXODEI-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014400076 553515195 /nfs/dbraw/zinc/51/51/95/553515195.db2.gz XCPHFQDJMWMMKI-INIZCTEOSA-N -1 1 521.466 6.498 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(Cl)cc1)cc2C ZINC000016807655 553583448 /nfs/dbraw/zinc/58/34/48/553583448.db2.gz YBFVIKLLPDMXBA-UHFFFAOYSA-N -1 1 513.015 5.887 40 0 KKABMM Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)OCC(=O)[N-]C(=O)c5ccc(OC(F)F)cc5)(C4)C2)C3)cc1C ZINC000017720525 553599249 /nfs/dbraw/zinc/59/92/49/553599249.db2.gz LXBVPNOGQWIOCE-ACTABUCYSA-N -1 1 511.565 5.243 40 0 KKABMM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020484545 553658857 /nfs/dbraw/zinc/65/88/57/553658857.db2.gz NMZCERPWWFECKS-QFIPXVFZSA-N -1 1 503.418 5.354 40 0 KKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000020491101 553664144 /nfs/dbraw/zinc/66/41/44/553664144.db2.gz HJSNNJRREBECLO-AREMUKBSSA-N -1 1 509.027 6.399 40 0 KKABMM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000020046713 553669919 /nfs/dbraw/zinc/66/99/19/553669919.db2.gz HACCOKVIDYQAGG-QGZVFWFLSA-N -1 1 507.439 6.125 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)c1 ZINC000020060743 553672388 /nfs/dbraw/zinc/67/23/88/553672388.db2.gz MYBNZIBFYNEDJO-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000020061085 553674016 /nfs/dbraw/zinc/67/40/16/553674016.db2.gz CMOUOOCFPFOXGS-CQSZACIVSA-N -1 1 514.978 6.279 40 0 KKABMM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000020061086 553674018 /nfs/dbraw/zinc/67/40/18/553674018.db2.gz CMOUOOCFPFOXGS-AWEZNQCLSA-N -1 1 514.978 6.279 40 0 KKABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000020111668 553694025 /nfs/dbraw/zinc/69/40/25/553694025.db2.gz VIVJXYSIWKPVLF-UHFFFAOYSA-N -1 1 508.621 5.697 40 0 KKABMM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306250 553709488 /nfs/dbraw/zinc/70/94/88/553709488.db2.gz AHMZIZZOIDYXIL-OAQYLSRUSA-N -1 1 513.830 6.244 40 0 KKABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000022109796 553726421 /nfs/dbraw/zinc/72/64/21/553726421.db2.gz BIXVHQUTAXEVKW-UHFFFAOYSA-N -1 1 511.873 6.030 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc(Cl)c1OCc1ccccc1F ZINC000022110987 553726753 /nfs/dbraw/zinc/72/67/53/553726753.db2.gz MXOMUKJDIRYZHD-UHFFFAOYSA-N -1 1 515.010 6.130 40 0 KKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000022110923 553726818 /nfs/dbraw/zinc/72/68/18/553726818.db2.gz MVRFVOOSKRHOBT-UHFFFAOYSA-N -1 1 516.396 5.236 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(Cl)c1 ZINC000022516822 553743973 /nfs/dbraw/zinc/74/39/73/553743973.db2.gz MZXSTKDODMLRIS-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3ccccc3Cl)c2)cc1 ZINC000022530385 553745484 /nfs/dbraw/zinc/74/54/84/553745484.db2.gz OKMRHJWHZKVXGV-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000026120756 553817870 /nfs/dbraw/zinc/81/78/70/553817870.db2.gz IBIOAUCHENZCNW-UHFFFAOYSA-N -1 1 504.674 5.182 40 0 KKABMM CCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030756285 553856927 /nfs/dbraw/zinc/85/69/27/553856927.db2.gz ZMZIMPILVMWJKJ-UHFFFAOYSA-N -1 1 500.020 5.231 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1N1CCCC1=O ZINC000030862177 553859180 /nfs/dbraw/zinc/85/91/80/553859180.db2.gz YXSQRMMASBSBAC-UHFFFAOYSA-N -1 1 521.639 5.173 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(Cl)c1 ZINC000030873346 553860493 /nfs/dbraw/zinc/86/04/93/553860493.db2.gz HUDPZHYRXRYCEO-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000100092157 554212606 /nfs/dbraw/zinc/21/26/06/554212606.db2.gz CNQLMCWKHKNLSP-UHFFFAOYSA-N -1 1 540.277 6.043 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000100092692 554213137 /nfs/dbraw/zinc/21/31/37/554213137.db2.gz DJIHTJUKNGZGFC-SFHVURJKSA-N -1 1 616.976 5.628 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1Cl ZINC000044900376 554308476 /nfs/dbraw/zinc/30/84/76/554308476.db2.gz ONCPONVPJONKRX-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)ccc21 ZINC000044904639 554309680 /nfs/dbraw/zinc/30/96/80/554309680.db2.gz LEMKFOATYQUBNQ-UHFFFAOYSA-N -1 1 518.038 6.829 40 0 KKABMM COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])c(CC(=O)c3ccc(F)cc3)s2)cc1 ZINC000059691187 554425250 /nfs/dbraw/zinc/42/52/50/554425250.db2.gz WPOHFODRMFJNKV-XRKRLSELSA-N -1 1 537.616 6.410 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059691231 554425260 /nfs/dbraw/zinc/42/52/60/554425260.db2.gz CRFHZUCVJJIDJM-KYJUHHDHSA-N -1 1 606.704 6.203 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000059691200 554425270 /nfs/dbraw/zinc/42/52/70/554425270.db2.gz NOASGPGUUUIPEX-JWQCQUIFSA-N -1 1 561.063 5.695 40 0 KKABMM COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])c(CC(=O)c3ccc(F)cc3)s2)cc1 ZINC000059691175 554425405 /nfs/dbraw/zinc/42/54/05/554425405.db2.gz WPOHFODRMFJNKV-PXJZQJOASA-N -1 1 537.616 6.410 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059691227 554425424 /nfs/dbraw/zinc/42/54/24/554425424.db2.gz CRFHZUCVJJIDJM-XZWHSSHBSA-N -1 1 606.704 6.203 40 0 KKABMM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3Cl)ccc2s1 ZINC000059837211 554442493 /nfs/dbraw/zinc/44/24/93/554442493.db2.gz DQZQKMGUROCQSO-UHFFFAOYSA-N -1 1 531.011 5.160 40 0 KKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1ccc(Br)cc1 ZINC000059837203 554442536 /nfs/dbraw/zinc/44/25/36/554442536.db2.gz NAXQURRNTGSLAQ-OAHLLOKOSA-N -1 1 523.836 5.160 40 0 KKABMM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1OC ZINC000059837255 554442550 /nfs/dbraw/zinc/44/25/50/554442550.db2.gz BABUQQABFFNIFZ-HNNXBMFYSA-N -1 1 539.437 5.068 40 0 KKABMM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000059837267 554442579 /nfs/dbraw/zinc/44/25/79/554442579.db2.gz MRMOSFVXXRTVPR-HNNXBMFYSA-N -1 1 525.479 5.772 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000059857985 554455319 /nfs/dbraw/zinc/45/53/19/554455319.db2.gz IKMCOIGHVSUCHG-XIEYBQDHSA-N -1 1 523.441 6.974 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059881591 554456798 /nfs/dbraw/zinc/45/67/98/554456798.db2.gz KXDAOKJWYSAAOS-UHFFFAOYSA-N -1 1 598.146 5.846 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059881650 554457124 /nfs/dbraw/zinc/45/71/24/554457124.db2.gz VRQKFVGNJKOYMK-UHFFFAOYSA-N -1 1 601.706 5.838 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882791 554458944 /nfs/dbraw/zinc/45/89/44/554458944.db2.gz BWTMPAKYRDSKNG-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000059883068 554459571 /nfs/dbraw/zinc/45/95/71/554459571.db2.gz GEFPXXZGNDVDSR-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000059883130 554459590 /nfs/dbraw/zinc/45/95/90/554459590.db2.gz DVQZAVBQUINYNR-UHFFFAOYSA-N -1 1 589.670 5.614 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000059883406 554460196 /nfs/dbraw/zinc/46/01/96/554460196.db2.gz XYOZOIXNBMJESS-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000059883319 554460258 /nfs/dbraw/zinc/46/02/58/554460258.db2.gz MJGMXTOKROFNAZ-UHFFFAOYSA-N -1 1 558.081 5.007 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(C)cc2C)cc1 ZINC000059883482 554460474 /nfs/dbraw/zinc/46/04/74/554460474.db2.gz CWRPXRMCJDXGCE-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059883442 554460605 /nfs/dbraw/zinc/46/06/05/554460605.db2.gz HHIBTDUWUZSMIC-UHFFFAOYSA-N -1 1 628.172 5.909 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059883656 554460782 /nfs/dbraw/zinc/46/07/82/554460782.db2.gz RGJFPUHHQPOBCE-UHFFFAOYSA-N -1 1 603.644 5.649 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1Cl ZINC000059883880 554461423 /nfs/dbraw/zinc/46/14/23/554461423.db2.gz VWUBNZHJYZZICJ-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059883955 554461544 /nfs/dbraw/zinc/46/15/44/554461544.db2.gz BKZITKZIJCLWQQ-UHFFFAOYSA-N -1 1 577.728 5.753 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccccc2C)cc1 ZINC000059884694 554463029 /nfs/dbraw/zinc/46/30/29/554463029.db2.gz YTUQPBMGPHAAHN-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059884774 554463396 /nfs/dbraw/zinc/46/33/96/554463396.db2.gz PHBLPFFZHOFAJD-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000059884964 554463761 /nfs/dbraw/zinc/46/37/61/554463761.db2.gz SLVRLTDWRDPEPE-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059886118 554466121 /nfs/dbraw/zinc/46/61/21/554466121.db2.gz KVQGNQJAKUMZRN-UHFFFAOYSA-N -1 1 549.423 6.685 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000059887017 554468013 /nfs/dbraw/zinc/46/80/13/554468013.db2.gz RBNHMZUZXSTXLI-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Br)cc1 ZINC000059887154 554468431 /nfs/dbraw/zinc/46/84/31/554468431.db2.gz DWYIBKCAJQXUHE-UHFFFAOYSA-N -1 1 533.753 6.174 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887487 554468907 /nfs/dbraw/zinc/46/89/07/554468907.db2.gz PEHBDLYBNYBYHC-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(Cl)cc2)cc1 ZINC000059887509 554468990 /nfs/dbraw/zinc/46/89/90/554468990.db2.gz FMVVEGPTIRWICV-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000059888246 554470679 /nfs/dbraw/zinc/47/06/79/554470679.db2.gz IVFRGLXQQMLBJR-UHFFFAOYSA-N -1 1 570.092 5.359 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059888551 554471207 /nfs/dbraw/zinc/47/12/07/554471207.db2.gz UVRQFAYINBVTQS-GDLZYMKVSA-N -1 1 622.566 6.276 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888641 554471554 /nfs/dbraw/zinc/47/15/54/554471554.db2.gz QKFRHFAUWFJNIR-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000059889059 554472326 /nfs/dbraw/zinc/47/23/26/554472326.db2.gz LMKKWTVKAWCOBP-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)cc1 ZINC000059923764 554474068 /nfs/dbraw/zinc/47/40/68/554474068.db2.gz AAHAJGADFPKWDJ-UHFFFAOYSA-N -1 1 586.091 5.593 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1 ZINC000060028164 554490795 /nfs/dbraw/zinc/49/07/95/554490795.db2.gz WPLPYQWDCRDUNZ-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000060028711 554494813 /nfs/dbraw/zinc/49/48/13/554494813.db2.gz NEQZLAJCMJOUMC-CQSZACIVSA-N -1 1 545.004 6.288 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)ccc2Cl)c1 ZINC000060028753 554495297 /nfs/dbraw/zinc/49/52/97/554495297.db2.gz SEAROPMVULSPQP-UHFFFAOYSA-N -1 1 571.080 5.206 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3c(F)cccc3Cl)c2)cc1 ZINC000060060066 554498360 /nfs/dbraw/zinc/49/83/60/554498360.db2.gz IJCMPYBQTAPRCK-UHFFFAOYSA-N -1 1 527.470 5.905 40 0 KKABMM Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000060060153 554498468 /nfs/dbraw/zinc/49/84/68/554498468.db2.gz RJUATZZWGYHPQW-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000060060110 554498492 /nfs/dbraw/zinc/49/84/92/554498492.db2.gz NKHCYUHOHOFFKB-AWEZNQCLSA-N -1 1 528.936 5.574 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)c(Cl)c2)cc1 ZINC000060060512 554499424 /nfs/dbraw/zinc/49/94/24/554499424.db2.gz NBVWMBIYFYTRBC-UHFFFAOYSA-N -1 1 561.103 7.230 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3)c(Cl)c2)cc1 ZINC000060060655 554500115 /nfs/dbraw/zinc/50/01/15/554500115.db2.gz INBWCBZAFPZNJI-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccccc1Cl ZINC000100922649 554522550 /nfs/dbraw/zinc/52/25/50/554522550.db2.gz CKGVYFJWVYPNMR-NSOVKSMOSA-N -1 1 527.068 6.735 40 0 KKABMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccc2c(c1)OCO2 ZINC000100927450 554524670 /nfs/dbraw/zinc/52/46/70/554524670.db2.gz BPAQZTOVPIYXGP-DQEYMECFSA-N -1 1 549.414 5.884 40 0 KKABMM CCOc1c(Br)cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000100962452 554542748 /nfs/dbraw/zinc/54/27/48/554542748.db2.gz KUOHBLKTHLZYIZ-UHFFFAOYSA-N -1 1 589.490 6.436 40 0 KKABMM COc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(Br)c(Br)c1[O-] ZINC000101007729 554555655 /nfs/dbraw/zinc/55/56/55/554555655.db2.gz NFUVIAXRFVMGNY-INIZCTEOSA-N -1 1 526.210 5.003 40 0 KKABMM O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000101653758 554817819 /nfs/dbraw/zinc/81/78/19/554817819.db2.gz SMZLAPOCGAAYKV-UHFFFAOYSA-N -1 1 570.647 7.350 40 0 KKABMM O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356305 554915082 /nfs/dbraw/zinc/91/50/82/554915082.db2.gz ADOYRVJFXKCBSF-LBPRGKRZSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356462 554915471 /nfs/dbraw/zinc/91/54/71/554915471.db2.gz UYESAVVGGVRCBG-JTQLQIEISA-N -1 1 513.168 5.192 40 0 KKABMM CC[C@@]1(c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)cc2)CCC(=O)NC1=O ZINC000102912305 555143337 /nfs/dbraw/zinc/14/33/37/555143337.db2.gz ZGZYODWBFIQVSX-SANMLTNESA-N -1 1 575.474 5.523 40 0 KKABMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)/c(=N/c3ccc(F)cc3)oc2cc1[O-] ZINC000102940662 555169438 /nfs/dbraw/zinc/16/94/38/555169438.db2.gz 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OZVVITCGDCIGPR-UHFFFAOYSA-N -1 1 529.359 5.240 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3[O-])oc2c(C)c1 ZINC000105310453 571395996 /nfs/dbraw/zinc/39/59/96/571395996.db2.gz MRFNCVYJZNSVNT-UHFFFAOYSA-N -1 1 552.439 7.511 40 0 KKABMM COc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc2ccccc2c1Br ZINC000105310399 571396003 /nfs/dbraw/zinc/39/60/03/571396003.db2.gz ISLCOODWHOFTKA-UHFFFAOYSA-N -1 1 562.445 6.560 40 0 KKABMM CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000106680521 571413300 /nfs/dbraw/zinc/41/33/00/571413300.db2.gz DVPRSMKTTMLAKB-ZROIWOOFSA-N -1 1 513.207 5.552 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2C)cc1C ZINC000105745782 571408410 /nfs/dbraw/zinc/40/84/10/571408410.db2.gz ATMKXLJXIQONGA-UHFFFAOYSA-N -1 1 555.722 5.230 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000105812109 571408837 /nfs/dbraw/zinc/40/88/37/571408837.db2.gz 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CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000198312980 571567253 /nfs/dbraw/zinc/56/72/53/571567253.db2.gz WXOOGXMVPIPNBM-UHFFFAOYSA-N -1 1 638.089 6.378 40 0 KKABMM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(C)cc2)cc1 ZINC000198313477 571567282 /nfs/dbraw/zinc/56/72/82/571567282.db2.gz OFFNFOGRXIYGOV-UHFFFAOYSA-N -1 1 630.213 6.314 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000198313059 571567290 /nfs/dbraw/zinc/56/72/90/571567290.db2.gz LBLLNMRCEGSPAS-UHFFFAOYSA-N -1 1 688.533 6.656 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000198314809 571567465 /nfs/dbraw/zinc/56/74/65/571567465.db2.gz DXLKIKHOWANGSO-UHFFFAOYSA-N -1 1 634.563 6.027 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198316935 571567648 /nfs/dbraw/zinc/56/76/48/571567648.db2.gz XFIDLUYZZKEBCP-UHFFFAOYSA-N -1 1 666.143 6.864 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000215898513 571586790 /nfs/dbraw/zinc/58/67/90/571586790.db2.gz TZHSPQIQCYYVJH-UHFFFAOYSA-N -1 1 546.092 6.654 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)c2)cc1 ZINC000215901865 571586985 /nfs/dbraw/zinc/58/69/85/571586985.db2.gz RAVYCGQFLUCKOU-UHFFFAOYSA-N -1 1 561.103 7.230 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000215902183 571587019 /nfs/dbraw/zinc/58/70/19/571587019.db2.gz HWMQUQZXEWKVDX-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215904846 571587108 /nfs/dbraw/zinc/58/71/08/571587108.db2.gz AMOJKUBNODZZFL-UHFFFAOYSA-N -1 1 534.037 5.366 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OCC ZINC000215943729 571588867 /nfs/dbraw/zinc/58/88/67/571588867.db2.gz MRLYBDFWBXJPHZ-UHFFFAOYSA-N -1 1 547.471 5.619 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)c(C)c1 ZINC000215964342 571589532 /nfs/dbraw/zinc/58/95/32/571589532.db2.gz NSEKASADNSWPGA-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216280716 571594082 /nfs/dbraw/zinc/59/40/82/571594082.db2.gz GBCXWAMVRCXWHE-UHFFFAOYSA-N -1 1 620.934 5.956 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc(I)c1 ZINC000224962476 571634329 /nfs/dbraw/zinc/63/43/29/571634329.db2.gz FLWVLNBOVBHBOL-UHFFFAOYSA-N -1 1 580.753 6.017 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cccc(I)c1 ZINC000224962225 571634250 /nfs/dbraw/zinc/63/42/50/571634250.db2.gz OSIRRMMZGIOTRD-UHFFFAOYSA-N -1 1 557.207 5.107 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cccc(I)c1 ZINC000224962764 571634366 /nfs/dbraw/zinc/63/43/66/571634366.db2.gz LMONEADPMNYWBD-UHFFFAOYSA-N -1 1 547.201 5.651 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)cc1Cl ZINC000224963047 571634374 /nfs/dbraw/zinc/63/43/74/571634374.db2.gz DZZAXFLFDXKHDG-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OCC ZINC000225060994 571643127 /nfs/dbraw/zinc/64/31/27/571643127.db2.gz LHZJYQFCWKDNHK-UHFFFAOYSA-N -1 1 519.417 5.300 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc(Br)ccc1Cl ZINC000225069942 571643969 /nfs/dbraw/zinc/64/39/69/571643969.db2.gz SRVATRNUWUGMSS-UHFFFAOYSA-N -1 1 515.816 6.309 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)ccc2C)c1 ZINC000225146839 571652063 /nfs/dbraw/zinc/65/20/63/571652063.db2.gz SXYGBYKMAZNLBI-UHFFFAOYSA-N -1 1 509.653 5.622 40 0 KKABMM CC(C)n1c(=O)sc2cc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)ccc21 ZINC000225162657 571653501 /nfs/dbraw/zinc/65/35/01/571653501.db2.gz VGOVZZFTILZOTI-UHFFFAOYSA-N -1 1 502.017 5.350 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)c2)cc1 ZINC000225162711 571653569 /nfs/dbraw/zinc/65/35/69/571653569.db2.gz CQHPCHFYRYIKQR-UHFFFAOYSA-N -1 1 516.044 5.659 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000225475687 571845853 /nfs/dbraw/zinc/84/58/53/571845853.db2.gz KZRMZPPSJMQTFJ-JWQCQUIFSA-N -1 1 588.542 5.736 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478077 571848073 /nfs/dbraw/zinc/84/80/73/571848073.db2.gz XDLJXBVMWWCGRO-UIOOFZCWSA-N -1 1 539.727 5.172 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)cc1[N-]S(C)(=O)=O ZINC000225488793 571859475 /nfs/dbraw/zinc/85/94/75/571859475.db2.gz IETRVQAIFISHPK-WDYNHAJCSA-N -1 1 569.712 5.583 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000225488443 571859483 /nfs/dbraw/zinc/85/94/83/571859483.db2.gz INIVEONKWOQHTR-UIOOFZCWSA-N -1 1 568.124 5.391 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225490214 571860280 /nfs/dbraw/zinc/86/02/80/571860280.db2.gz MQTJIMRLADSKRX-DQEYMECFSA-N -1 1 555.081 5.552 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N-]S(C)(=O)=O ZINC000225491259 571861640 /nfs/dbraw/zinc/86/16/40/571861640.db2.gz CGEBKEQGEDOWPA-DQEYMECFSA-N -1 1 589.526 6.206 40 0 KKABMM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000225588698 571945599 /nfs/dbraw/zinc/94/55/99/571945599.db2.gz LWQQXDQLCOPHFG-UHFFFAOYSA-N -1 1 505.408 5.565 40 0 KKABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2sc1=O ZINC000225713392 572042600 /nfs/dbraw/zinc/04/26/00/572042600.db2.gz MVYBOONZGICTLT-UHFFFAOYSA-N -1 1 523.680 5.995 40 0 KKABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)ccc1Cl ZINC000225790117 572068622 /nfs/dbraw/zinc/06/86/22/572068622.db2.gz CGPMGINLGRASRU-UHFFFAOYSA-N -1 1 537.446 5.396 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1c(Cl)cccc1Cl ZINC000408526667 572158350 /nfs/dbraw/zinc/15/83/50/572158350.db2.gz BTMBATDMEKPQGL-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000238950188 572189690 /nfs/dbraw/zinc/18/96/90/572189690.db2.gz WXIZXILJEQMMHV-GENZZCLZSA-N -1 1 680.926 10.498 40 0 KKABMM CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000238950188 572189697 /nfs/dbraw/zinc/18/96/97/572189697.db2.gz WXIZXILJEQMMHV-GENZZCLZSA-N -1 1 680.926 10.498 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)c1 ZINC000408545559 572219572 /nfs/dbraw/zinc/21/95/72/572219572.db2.gz UUZVKSTYSRFQJD-UHFFFAOYSA-N -1 1 505.459 5.430 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2C)cc1C ZINC000408543040 572211580 /nfs/dbraw/zinc/21/15/80/572211580.db2.gz CBTJATUJWYKXPY-UHFFFAOYSA-N -1 1 541.673 5.637 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408544579 572215759 /nfs/dbraw/zinc/21/57/59/572215759.db2.gz HUSWIGDOQLXIRB-UHFFFAOYSA-N -1 1 598.146 5.846 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c1 ZINC000408544953 572216778 /nfs/dbraw/zinc/21/67/78/572216778.db2.gz JTMBRMFSRUTTLS-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408545732 572220638 /nfs/dbraw/zinc/22/06/38/572220638.db2.gz NKASDXHLNXWRFJ-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(F)cc2)cc1 ZINC000408545757 572220669 /nfs/dbraw/zinc/22/06/69/572220669.db2.gz NYLHYFCJIIQASF-UHFFFAOYSA-N -1 1 597.690 5.168 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(F)cc2)cc1 ZINC000408545722 572220680 /nfs/dbraw/zinc/22/06/80/572220680.db2.gz MZVLETBRXUVHGV-UHFFFAOYSA-N -1 1 633.723 6.012 40 0 KKABMM O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408546606 572223610 /nfs/dbraw/zinc/22/36/10/572223610.db2.gz FTFOKTVIXJCYIQ-UHFFFAOYSA-N -1 1 692.613 6.876 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408546602 572223700 /nfs/dbraw/zinc/22/37/00/572223700.db2.gz FPOMPERQJRGBKS-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)cc1 ZINC000408546801 572224126 /nfs/dbraw/zinc/22/41/26/572224126.db2.gz WAYVJQBYWLPKGT-UHFFFAOYSA-N -1 1 505.640 5.419 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2C)c1C ZINC000408547273 572225285 /nfs/dbraw/zinc/22/52/85/572225285.db2.gz YCZUDBFGLAYTJT-HSZRJFAPSA-N -1 1 541.673 6.156 40 0 KKABMM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408547401 572225727 /nfs/dbraw/zinc/22/57/27/572225727.db2.gz JFXMKHLJRLRMGP-UHFFFAOYSA-N -1 1 567.413 6.824 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408547382 572225743 /nfs/dbraw/zinc/22/57/43/572225743.db2.gz IZVFAMNYKUCFSI-HKBQPEDESA-N -1 1 583.691 6.260 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc2C)c1 ZINC000408548731 572229851 /nfs/dbraw/zinc/22/98/51/572229851.db2.gz UDCSGXLNJORSIR-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2C)c1 ZINC000408548727 572229927 /nfs/dbraw/zinc/22/99/27/572229927.db2.gz UAMXZCJLONFHRJ-UHFFFAOYSA-N -1 1 512.075 5.337 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408548792 572230009 /nfs/dbraw/zinc/23/00/09/572230009.db2.gz VELIRIJJYTUWFS-UHFFFAOYSA-N -1 1 593.771 5.360 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Br)cc1 ZINC000408552746 572239006 /nfs/dbraw/zinc/23/90/06/572239006.db2.gz NMBQNGMYOVJWCP-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCc1ccc(Cl)cc1Cl ZINC000408554461 572241860 /nfs/dbraw/zinc/24/18/60/572241860.db2.gz SCNQVBHRMUTVOG-UHFFFAOYSA-N -1 1 534.248 5.796 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408555980 572243532 /nfs/dbraw/zinc/24/35/32/572243532.db2.gz BNIOKVPMVCEPJB-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408556738 572244326 /nfs/dbraw/zinc/24/43/26/572244326.db2.gz JMCVUBPBWCLVSR-UHFFFAOYSA-N -1 1 525.051 6.553 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408559028 572246355 /nfs/dbraw/zinc/24/63/55/572246355.db2.gz UBGOZHZZPKNGJV-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Br)cc1F ZINC000408559157 572246535 /nfs/dbraw/zinc/24/65/35/572246535.db2.gz UNCYDIBXCGZFEO-UHFFFAOYSA-N -1 1 548.217 5.713 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559806 572247013 /nfs/dbraw/zinc/24/70/13/572247013.db2.gz ZCXVVLHTWHSQJL-UHFFFAOYSA-N -1 1 519.328 6.074 40 0 KKABMM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408584160 572265599 /nfs/dbraw/zinc/26/55/99/572265599.db2.gz MNRBUWJYGBAWJP-KRWDZBQOSA-N -1 1 507.439 5.311 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)cc1 ZINC000408584402 572265711 /nfs/dbraw/zinc/26/57/11/572265711.db2.gz PJVADEZSPYVYPZ-UHFFFAOYSA-N -1 1 533.049 6.252 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1c(Cl)cccc1Cl ZINC000408589489 572267268 /nfs/dbraw/zinc/26/72/68/572267268.db2.gz HZSCKZAJKYKRLT-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408589963 572267490 /nfs/dbraw/zinc/26/74/90/572267490.db2.gz IKDBFRLDCRFMBM-UHFFFAOYSA-N -1 1 526.964 6.048 40 0 KKABMM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408594415 572269775 /nfs/dbraw/zinc/26/97/75/572269775.db2.gz RONDQZDMMWFPDN-UHFFFAOYSA-N -1 1 540.991 6.609 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccc(C)cc4)c3)ccc21 ZINC000408596871 572271207 /nfs/dbraw/zinc/27/12/07/572271207.db2.gz SXWKCEVPLTZCNR-UHFFFAOYSA-N -1 1 513.619 6.185 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc(F)c1 ZINC000408600624 572272537 /nfs/dbraw/zinc/27/25/37/572272537.db2.gz BHOUSDPLALIISY-UHFFFAOYSA-N -1 1 502.873 5.316 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2C)c1 ZINC000408606681 572274958 /nfs/dbraw/zinc/27/49/58/572274958.db2.gz LLYHGYFEMGIBMU-UHFFFAOYSA-N -1 1 519.022 6.241 40 0 KKABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408608620 572275522 /nfs/dbraw/zinc/27/55/22/572275522.db2.gz RPGBJIRGCIJALX-UHFFFAOYSA-N -1 1 514.909 5.186 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(O[C@H](C)C(=O)NC4CCCCC4)cc3)ccc21 ZINC000408610727 572276320 /nfs/dbraw/zinc/27/63/20/572276320.db2.gz VLKSQYLKIUKPIY-HXUWFJFHSA-N -1 1 519.667 5.831 40 0 KKABMM COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000408611345 572276539 /nfs/dbraw/zinc/27/65/39/572276539.db2.gz WRIQNBLXJCDVDG-UHFFFAOYSA-N -1 1 544.935 5.194 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1OC ZINC000408630379 572286188 /nfs/dbraw/zinc/28/61/88/572286188.db2.gz STBJVPNZBGANCA-UHFFFAOYSA-N -1 1 601.725 5.655 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)[O-])n1 ZINC000408630821 572286578 /nfs/dbraw/zinc/28/65/78/572286578.db2.gz CXLCBCIWHUXNAR-YVNNLAQVSA-N -1 1 562.862 7.237 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccccc2Cl)C(=O)[O-])n1 ZINC000408630905 572286725 /nfs/dbraw/zinc/28/67/25/572286725.db2.gz DOVPJABUXMXMQL-UUYOSTAYSA-N -1 1 528.417 6.584 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)c(OC(C)C)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408631089 572286921 /nfs/dbraw/zinc/28/69/21/572286921.db2.gz BWCLSJIMWPFGQK-UWVJOHFNSA-N -1 1 505.980 5.156 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)[O-])n2)c1 ZINC000408631056 572286977 /nfs/dbraw/zinc/28/69/77/572286977.db2.gz BSLWPMLLEIJYDE-JAIQZWGSSA-N -1 1 518.378 6.274 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])n1 ZINC000408631199 572287133 /nfs/dbraw/zinc/28/71/33/572287133.db2.gz FZQRTCXHRIZWQC-UUYOSTAYSA-N -1 1 602.894 6.702 40 0 KKABMM COc1ccc2[nH]c(-c3ccccc3)c(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])c2c1 ZINC000408631317 572287409 /nfs/dbraw/zinc/28/74/09/572287409.db2.gz HLHLZVAUWOHQLE-UCQKPKSFSA-N -1 1 533.009 6.508 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)[O-])n1 ZINC000408631886 572288179 /nfs/dbraw/zinc/28/81/79/572288179.db2.gz MVVUMAFKRIESGX-MYYYXRDXSA-N -1 1 531.037 6.663 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[O-])n1 ZINC000408632180 572288442 /nfs/dbraw/zinc/28/84/42/572288442.db2.gz HUUSHECPNHXLOO-GRSHGNNSSA-N -1 1 522.797 6.918 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000408632238 572288605 /nfs/dbraw/zinc/28/86/05/572288605.db2.gz PEMWWTHBXCQFLA-OYKKKHCWSA-N -1 1 538.025 6.329 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(OCc4ccc(Br)cc4)ccc4ccccc43)C(=O)[O-])n2)c1 ZINC000408632255 572288613 /nfs/dbraw/zinc/28/86/13/572288613.db2.gz IEYRUZZVWRGDCT-YUMHPJSZSA-N -1 1 618.509 7.201 40 0 KKABMM COc1ccc(COc2ccc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])cc2)cc1 ZINC000408632854 572289450 /nfs/dbraw/zinc/28/94/50/572289450.db2.gz UGWZSSJQTFMREJ-QRVIBDJDSA-N -1 1 523.998 5.939 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)[O-])n1 ZINC000408633369 572290067 /nfs/dbraw/zinc/29/00/67/572290067.db2.gz XZIMHNJKIPSGKN-WQRHYEAKSA-N -1 1 564.870 6.858 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000408633447 572290070 /nfs/dbraw/zinc/29/00/70/572290070.db2.gz YLWXZSHPNICUNG-UUYOSTAYSA-N -1 1 528.417 6.584 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(OC)c(OCc4ccccc4)cc3Br)C(=O)[O-])n2)c1 ZINC000408634007 572290973 /nfs/dbraw/zinc/29/09/73/572290973.db2.gz QXGKZHSQZDJZIK-MSXFZWOLSA-N -1 1 598.475 6.057 40 0 KKABMM O=C([O-])C(=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634165 572291048 /nfs/dbraw/zinc/29/10/48/572291048.db2.gz PUKSYZRZYGJYPL-JAIQZWGSSA-N -1 1 750.183 7.785 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3ccccc3Cl)C(=O)[O-])n2)c1 ZINC000408634272 572291220 /nfs/dbraw/zinc/29/12/20/572291220.db2.gz SZMCWEUSMREIEH-QRVIBDJDSA-N -1 1 523.998 5.939 40 0 KKABMM CCOc1c(Br)cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1OC ZINC000408635210 572292328 /nfs/dbraw/zinc/29/23/28/572292328.db2.gz YEHUKYVAHFHCJA-YBEGLDIGSA-N -1 1 510.797 5.513 40 0 KKABMM O=C([O-])C(=Cc1cc(I)cc(I)c1OCc1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635344 572292401 /nfs/dbraw/zinc/29/24/01/572292401.db2.gz ZQAACIAHLCBSAT-JAIQZWGSSA-N -1 1 715.738 7.131 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000408636466 572293435 /nfs/dbraw/zinc/29/34/35/572293435.db2.gz QPZBOAPSBDWKMM-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cc(Cl)cc(Cl)c1 ZINC000408636744 572293643 /nfs/dbraw/zinc/29/36/43/572293643.db2.gz UUBRRBHAEBSYLG-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000408637119 572294112 /nfs/dbraw/zinc/29/41/12/572294112.db2.gz XXRGPWHQPDXMPX-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408678362 572319806 /nfs/dbraw/zinc/31/98/06/572319806.db2.gz GCBBFZKQKAVUAZ-NRFANRHFSA-N -1 1 512.937 5.956 40 0 KKABMM O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000257342689 572320043 /nfs/dbraw/zinc/32/00/43/572320043.db2.gz ZPTFNBFTQHICHB-JOCHJYFZSA-N -1 1 500.620 5.824 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000408679481 572320521 /nfs/dbraw/zinc/32/05/21/572320521.db2.gz MBCRCBAKHQVXBL-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM CCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000108423269 1069719137 /nfs/dbraw/zinc/71/91/37/1069719137.db2.gz NOXFSWMCZIDJEZ-UHFFFAOYSA-N -1 1 538.648 6.454 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(C)=O ZINC000108423282 1069719407 /nfs/dbraw/zinc/71/94/07/1069719407.db2.gz USJLDIVJGKEGRJ-UHFFFAOYSA-N -1 1 538.604 5.590 40 0 KKABMM CCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423313 1069720218 /nfs/dbraw/zinc/72/02/18/1069720218.db2.gz JSHOGLIFEAZDTD-UHFFFAOYSA-N -1 1 538.648 6.454 40 0 KKABMM CCCOc1c(Br)cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000108423405 1069721245 /nfs/dbraw/zinc/72/12/45/1069721245.db2.gz DOSXSXWGSBCYIP-UHFFFAOYSA-N -1 1 617.544 7.216 40 0 KKABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000408712591 1069735786 /nfs/dbraw/zinc/73/57/86/1069735786.db2.gz YERLQVPFKCJHGZ-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408911294 1070203947 /nfs/dbraw/zinc/20/39/47/1070203947.db2.gz MTAGJRSYOBIJKC-SWGQDTFXSA-N -1 1 526.239 6.209 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408920599 1070227212 /nfs/dbraw/zinc/22/72/12/1070227212.db2.gz JWZFLGDAJVAEPN-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccccc2)cc1 ZINC000408921168 1070228566 /nfs/dbraw/zinc/22/85/66/1070228566.db2.gz UEOBVPGWXURHRP-UHFFFAOYSA-N -1 1 614.145 5.682 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408921709 1070229646 /nfs/dbraw/zinc/22/96/46/1070229646.db2.gz VUZHKROSMIDSDY-UHFFFAOYSA-N -1 1 672.534 7.032 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408925988 1070237883 /nfs/dbraw/zinc/23/78/83/1070237883.db2.gz WAWNUIOOYFAHND-LJAQVGFWSA-N -1 1 578.115 6.167 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cc(Cl)ccc2C)cc1 ZINC000408924217 1070241776 /nfs/dbraw/zinc/24/17/76/1070241776.db2.gz DNDNAKGBRVDJAB-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2)cc1 ZINC000408924367 1070242365 /nfs/dbraw/zinc/24/23/65/1070242365.db2.gz HNLAUQCXQZEPRE-ZXVVBBHZSA-N -1 1 563.473 6.438 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409034697 1070432747 /nfs/dbraw/zinc/43/27/47/1070432747.db2.gz QTHIGPINYUVILO-BJJGPXNVSA-N -1 1 762.258 5.422 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409108752 1070542588 /nfs/dbraw/zinc/54/25/88/1070542588.db2.gz XXMDSKNUKPAYEW-IDGUORLLSA-N -1 1 705.612 5.255 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2)cc1OC ZINC000409177202 1070592072 /nfs/dbraw/zinc/59/20/72/1070592072.db2.gz DIQFZDNUOHLBQX-UHFFFAOYSA-N -1 1 649.669 5.357 40 0 KKABMM CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409194980 1070614231 /nfs/dbraw/zinc/61/42/31/1070614231.db2.gz RQXJIYCNMAHFPA-MDWZMJQESA-N -1 1 533.625 6.210 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409373043 1070896426 /nfs/dbraw/zinc/89/64/26/1070896426.db2.gz SITMPBDSWPOBSF-UHFFFAOYSA-N -1 1 651.561 8.025 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409409341 1070927333 /nfs/dbraw/zinc/92/73/33/1070927333.db2.gz NSPBIEFONJTDPA-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Br)cc1 ZINC000408908719 1070982845 /nfs/dbraw/zinc/98/28/45/1070982845.db2.gz YERDIQKKWQEFSU-UHFFFAOYSA-N -1 1 536.256 5.358 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408927233 1071069298 /nfs/dbraw/zinc/06/92/98/1071069298.db2.gz UJWLNNLJMHOUIZ-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408926043 1071075022 /nfs/dbraw/zinc/07/50/22/1071075022.db2.gz NETYBYVEWAKXRD-UHFFFAOYSA-N -1 1 672.534 7.032 40 0 KKABMM O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408926374 1071073171 /nfs/dbraw/zinc/07/31/71/1071073171.db2.gz SFTUUERXNZLAJN-UHFFFAOYSA-N -1 1 500.951 5.890 40 0 KKABMM O=C1S/C(=C/c2cc(I)cc(I)c2[O-])C(=O)N1c1cccc(Cl)c1 ZINC000409209317 1071073936 /nfs/dbraw/zinc/07/39/36/1071073936.db2.gz FPVPCIVKZFJLAB-WLRTZDKTSA-N -1 1 583.572 5.496 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000408926015 1071076091 /nfs/dbraw/zinc/07/60/91/1071076091.db2.gz MTWJJYAIVCGYPM-UHFFFAOYSA-N -1 1 660.170 5.309 40 0 KKABMM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408923699 1071086227 /nfs/dbraw/zinc/08/62/27/1071086227.db2.gz KGSNOBDZGULSAY-UHFFFAOYSA-N -1 1 508.587 5.995 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)c1 ZINC000408923614 1071086333 /nfs/dbraw/zinc/08/63/33/1071086333.db2.gz YLVVNNYQCANZCP-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408921042 1071098053 /nfs/dbraw/zinc/09/80/53/1071098053.db2.gz RFINZFSOMNMXIA-UHFFFAOYSA-N -1 1 629.760 6.100 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(Br)cc2)cc1 ZINC000408920643 1071100104 /nfs/dbraw/zinc/10/01/04/1071100104.db2.gz LNQAEABDUPVJMD-UHFFFAOYSA-N -1 1 664.603 6.546 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000408920669 1071100191 /nfs/dbraw/zinc/10/01/91/1071100191.db2.gz MKMXPQBEFCGDNJ-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408920408 1071104081 /nfs/dbraw/zinc/10/40/81/1071104081.db2.gz GLBBTNVRBKKVJR-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408920452 1071105000 /nfs/dbraw/zinc/10/50/00/1071105000.db2.gz ICNMFOQGMMDNIO-UHFFFAOYSA-N -1 1 638.089 6.378 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408920226 1071105733 /nfs/dbraw/zinc/10/57/33/1071105733.db2.gz CDKSAWFCKKLBDY-UHFFFAOYSA-N -1 1 619.643 5.349 40 0 KKABMM O=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408927525 1071195108 /nfs/dbraw/zinc/19/51/08/1071195108.db2.gz WLVARYJANKBKBV-UHFFFAOYSA-N -1 1 559.429 6.141 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000408682353 1071370411 /nfs/dbraw/zinc/37/04/11/1071370411.db2.gz XSCVEEMVHHCVBB-UHFFFAOYSA-N -1 1 644.972 5.223 40 0 KKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c(C)c1 ZINC000408682307 1071370688 /nfs/dbraw/zinc/37/06/88/1071370688.db2.gz XCFMSYWWGZKFSK-INIZCTEOSA-N -1 1 526.964 6.182 40 0 KKABMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408681698 1071373130 /nfs/dbraw/zinc/37/31/30/1071373130.db2.gz IGLYDFYPPOZPBK-QFIPXVFZSA-N -1 1 530.256 6.907 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000408681242 1071375491 /nfs/dbraw/zinc/37/54/91/1071375491.db2.gz QPIVGTOGSDTMLX-UHFFFAOYSA-N -1 1 616.083 5.340 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(C)C ZINC000408695718 1071383069 /nfs/dbraw/zinc/38/30/69/1071383069.db2.gz UGCAVXOUPCLQEI-UHFFFAOYSA-N -1 1 563.019 6.092 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)cc1Cl ZINC000408694443 1071387896 /nfs/dbraw/zinc/38/78/96/1071387896.db2.gz HDELJZWDRNVXJT-UHFFFAOYSA-N -1 1 614.548 5.422 40 0 KKABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)CC2)cc1 ZINC000408694423 1071388048 /nfs/dbraw/zinc/38/80/48/1071388048.db2.gz GNOBAGUWTWXLCJ-UHFFFAOYSA-N -1 1 594.180 5.211 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693126 1071392345 /nfs/dbraw/zinc/39/23/45/1071392345.db2.gz IRLDQFCBZABHME-UHFFFAOYSA-N -1 1 612.557 5.620 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C(C)C ZINC000408694101 1071389183 /nfs/dbraw/zinc/38/91/83/1071389183.db2.gz BJEWKOPRVUKLSU-UHFFFAOYSA-N -1 1 509.049 5.382 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1OCC ZINC000408693893 1071390119 /nfs/dbraw/zinc/39/01/19/1071390119.db2.gz ASVMKWBLNPQRAH-UHFFFAOYSA-N -1 1 545.466 5.392 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc2c(c1)OCO2 ZINC000408704962 1071436949 /nfs/dbraw/zinc/43/69/49/1071436949.db2.gz WEOVFNKLRMLFJY-UHFFFAOYSA-N -1 1 634.054 5.073 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000408705458 1071434796 /nfs/dbraw/zinc/43/47/96/1071434796.db2.gz GJBHLWIWDDPKDV-UHFFFAOYSA-N -1 1 504.439 6.037 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000408705264 1071435349 /nfs/dbraw/zinc/43/53/49/1071435349.db2.gz ASFAXTBCPIPHEL-UHFFFAOYSA-N -1 1 590.938 5.633 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)cc2)c1 ZINC000408703738 1071442977 /nfs/dbraw/zinc/44/29/77/1071442977.db2.gz GQTYJBJJRLVBTR-SSEXGKCCSA-N -1 1 592.142 6.476 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408703316 1071444283 /nfs/dbraw/zinc/44/42/83/1071444283.db2.gz FAMVEYXKVNKXCW-LJAQVGFWSA-N -1 1 612.560 6.821 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000408703185 1071445230 /nfs/dbraw/zinc/44/52/30/1071445230.db2.gz DXUHWLSZTLCHRB-UHFFFAOYSA-N -1 1 570.092 5.530 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000408702298 1071448645 /nfs/dbraw/zinc/44/86/45/1071448645.db2.gz AYFUHIYFHRXOLQ-PMERELPUSA-N -1 1 592.142 6.476 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000408702170 1071449588 /nfs/dbraw/zinc/44/95/88/1071449588.db2.gz KONWQSSSMNKPOJ-UHFFFAOYSA-N -1 1 562.113 5.185 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000408701995 1071450086 /nfs/dbraw/zinc/45/00/86/1071450086.db2.gz IXEAXCOKKLMMET-UHFFFAOYSA-N -1 1 582.531 5.530 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408700107 1071456715 /nfs/dbraw/zinc/45/67/15/1071456715.db2.gz AXHRPJRFMLRZAY-UHFFFAOYSA-N -1 1 606.564 5.231 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714798 1071472743 /nfs/dbraw/zinc/47/27/43/1071472743.db2.gz OQRIKVVZXHHIMS-UHFFFAOYSA-N -1 1 573.762 5.335 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714595 1071476172 /nfs/dbraw/zinc/47/61/72/1071476172.db2.gz IMSUBEAMWLZWOG-UHFFFAOYSA-N -1 1 600.571 5.553 40 0 KKABMM Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)cc2)S(C)(=O)=O)c1 ZINC000408712160 1071486456 /nfs/dbraw/zinc/48/64/56/1071486456.db2.gz JATAKCQMHONNTI-UHFFFAOYSA-N -1 1 563.701 5.323 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3)cc2C)cc1 ZINC000408712515 1071481715 /nfs/dbraw/zinc/48/17/15/1071481715.db2.gz ATRRMAGPQAPPGO-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1C ZINC000408712360 1071485022 /nfs/dbraw/zinc/48/50/22/1071485022.db2.gz QUSMDPWSFNBGSU-UHFFFAOYSA-N -1 1 594.553 5.052 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1NS(C)(=O)=O ZINC000408712214 1071487996 /nfs/dbraw/zinc/48/79/96/1071487996.db2.gz UEOHYGSSLCXICD-UHFFFAOYSA-N -1 1 561.991 5.092 40 0 KKABMM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408712266 1071488783 /nfs/dbraw/zinc/48/87/83/1071488783.db2.gz FVTCUUROFWAZCR-OAHLLOKOSA-N -1 1 624.490 5.915 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712286 1071489383 /nfs/dbraw/zinc/48/93/83/1071489383.db2.gz HMFBYQBBEFGPOO-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000408711517 1071494078 /nfs/dbraw/zinc/49/40/78/1071494078.db2.gz RJDFZSCNPJOECD-UHFFFAOYSA-N -1 1 603.697 5.998 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000408711538 1071494665 /nfs/dbraw/zinc/49/46/65/1071494665.db2.gz VILKKJLVBLSKMG-UHFFFAOYSA-N -1 1 602.109 5.807 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)cc2C)cc1 ZINC000408711552 1071495559 /nfs/dbraw/zinc/49/55/59/1071495559.db2.gz WYFDUAUKVCAYLH-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408711326 1071497070 /nfs/dbraw/zinc/49/70/70/1071497070.db2.gz IKBCVUOFKUVHPN-UHFFFAOYSA-N -1 1 602.109 5.807 40 0 KKABMM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408711411 1071499495 /nfs/dbraw/zinc/49/94/95/1071499495.db2.gz TVSJGWYULJCPKR-UHFFFAOYSA-N -1 1 524.992 6.854 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)cc2C)cc1 ZINC000408711261 1071502398 /nfs/dbraw/zinc/50/23/98/1071502398.db2.gz AKQSJYOMANUPSM-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1)c1cccc(Cl)c1 ZINC000408711243 1071502442 /nfs/dbraw/zinc/50/24/42/1071502442.db2.gz LRKKMSSOPZNZQB-UHFFFAOYSA-N -1 1 620.152 6.513 40 0 KKABMM CCOC(=O)c1c2c(sc1-n1c(C)cc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)c1C)CCCC2 ZINC000408735304 1071561935 /nfs/dbraw/zinc/56/19/35/1071561935.db2.gz QCMTVFUUYNSQFY-UHFFFAOYSA-N -1 1 507.681 6.467 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408753370 1071657985 /nfs/dbraw/zinc/65/79/85/1071657985.db2.gz MGVWOIRBMSMBSO-SCRHHBKZSA-N -1 1 747.405 5.026 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409039279 1071900757 /nfs/dbraw/zinc/90/07/57/1071900757.db2.gz RATMYLUIFJKQTA-IOKRJLGCSA-N -1 1 717.807 5.313 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409091966 1072266663 /nfs/dbraw/zinc/26/66/63/1072266663.db2.gz WKYFPXFVZJUIFJ-JPFXZVHCSA-N -1 1 675.030 5.068 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409090489 1072280603 /nfs/dbraw/zinc/28/06/03/1072280603.db2.gz QVYZJIKMTQMMEL-NYHPBOSBSA-N -1 1 642.784 5.206 40 0 KKABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409101957 1072312217 /nfs/dbraw/zinc/31/22/17/1072312217.db2.gz ZKOCNMQJYBYKJK-WUCQSXAQSA-N -1 1 693.601 5.271 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409103076 1072362750 /nfs/dbraw/zinc/36/27/50/1072362750.db2.gz AHOJLADZHDKPPE-IDGUORLLSA-N -1 1 705.612 5.255 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409330686 1072375501 /nfs/dbraw/zinc/37/55/01/1072375501.db2.gz LZMUWKQKLXLGEH-UHFFFAOYSA-N -1 1 604.081 5.123 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000409330170 1072378089 /nfs/dbraw/zinc/37/80/89/1072378089.db2.gz JVTAXKASORKWDJ-UHFFFAOYSA-N -1 1 549.674 5.182 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000409111380 1072393023 /nfs/dbraw/zinc/39/30/23/1072393023.db2.gz AGSFCGWMPFYJIV-UHFFFAOYSA-N -1 1 534.965 5.359 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000409373620 1072624786 /nfs/dbraw/zinc/62/47/86/1072624786.db2.gz WQPUFSZAVDNETF-UHFFFAOYSA-N -1 1 671.595 9.170 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409373512 1072641838 /nfs/dbraw/zinc/64/18/38/1072641838.db2.gz UZPAMZGYWTVDBL-UHFFFAOYSA-N -1 1 571.464 8.242 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2I)cc1 ZINC000409373105 1072642982 /nfs/dbraw/zinc/64/29/82/1072642982.db2.gz PNJDYENIBHFWCA-UHFFFAOYSA-N -1 1 562.411 6.280 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(CCC(N)=O)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409371957 1072647062 /nfs/dbraw/zinc/64/70/62/1072647062.db2.gz NDPWDTLUMIMUIY-UHFFFAOYSA-N -1 1 546.631 5.505 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OC(C)C)cc2OC(C)C)cc1 ZINC000409371896 1072648323 /nfs/dbraw/zinc/64/83/23/1072648323.db2.gz MBXYLOOIWZHYLS-UHFFFAOYSA-N -1 1 552.675 7.249 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccccc1 ZINC000409371343 1072649268 /nfs/dbraw/zinc/64/92/68/1072649268.db2.gz HVNHZIRQIIKIHN-UHFFFAOYSA-N -1 1 712.588 8.257 40 0 KKABMM CCn1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc21 ZINC000409371454 1072649672 /nfs/dbraw/zinc/64/96/72/1072649672.db2.gz IVVPSNYCXZQIAJ-UHFFFAOYSA-N -1 1 503.606 6.650 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000409370644 1072652436 /nfs/dbraw/zinc/65/24/36/1072652436.db2.gz BSTGTXJOKSUQAR-UHFFFAOYSA-N -1 1 636.752 8.806 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)cc(Br)c2OCc2ccccc2)cc1 ZINC000409370389 1072654251 /nfs/dbraw/zinc/65/42/51/1072654251.db2.gz PZIZXLWZBLKBCJ-UHFFFAOYSA-N -1 1 700.431 8.779 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3cccc4ccccc43)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369377 1072659252 /nfs/dbraw/zinc/65/92/52/1072659252.db2.gz LKGKBRDHISELLH-UHFFFAOYSA-N -1 1 615.737 8.831 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3ccccc3C)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368295 1072664947 /nfs/dbraw/zinc/66/49/47/1072664947.db2.gz RHNLXUODDDCZKL-UHFFFAOYSA-N -1 1 579.704 7.986 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Cl)c1O ZINC000409368273 1072666636 /nfs/dbraw/zinc/66/66/36/1072666636.db2.gz WLUUDDQTSTUWIJ-UHFFFAOYSA-N -1 1 531.012 6.433 40 0 KKABMM CCOc1c(I)cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1OC ZINC000409367730 1072668343 /nfs/dbraw/zinc/66/83/43/1072668343.db2.gz JQDNRWMGRVOGKL-UHFFFAOYSA-N -1 1 636.490 6.687 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc21 ZINC000409367476 1072670359 /nfs/dbraw/zinc/67/03/59/1072670359.db2.gz AZZQXCDWKKJBOE-UHFFFAOYSA-N -1 1 748.621 9.020 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc2ccccc2c1 ZINC000409382320 1072707460 /nfs/dbraw/zinc/70/74/60/1072707460.db2.gz RSJJSNHSRRNOMV-UHFFFAOYSA-N -1 1 517.426 5.204 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1)S(C)(=O)=O ZINC000409174998 1072718847 /nfs/dbraw/zinc/71/88/47/1072718847.db2.gz XPCUOKPJOAOQDN-UHFFFAOYSA-N -1 1 628.570 5.777 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409174944 1072720047 /nfs/dbraw/zinc/72/00/47/1072720047.db2.gz WEKYLLRHNHWWEG-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000409173083 1072728905 /nfs/dbraw/zinc/72/89/05/1072728905.db2.gz JAJQUFBPEFKJRU-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000409171927 1072736249 /nfs/dbraw/zinc/73/62/49/1072736249.db2.gz DUQQAMRTMVFBJC-UHFFFAOYSA-N -1 1 715.513 5.945 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409171776 1072737021 /nfs/dbraw/zinc/73/70/21/1072737021.db2.gz AJBPSQHTRDWQQR-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409184681 1072775326 /nfs/dbraw/zinc/77/53/26/1072775326.db2.gz ZGXQHXXNJQPSDY-PMERELPUSA-N -1 1 592.142 6.210 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000409183986 1072780374 /nfs/dbraw/zinc/78/03/74/1072780374.db2.gz VQFNHAYUEFXVCY-NLRVBDNBSA-N -1 1 503.023 6.629 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000409412114 1072789786 /nfs/dbraw/zinc/78/97/86/1072789786.db2.gz RMIHPFMHWVNMAP-UHFFFAOYSA-N -1 1 639.821 6.059 40 0 KKABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000409411708 1072793857 /nfs/dbraw/zinc/79/38/57/1072793857.db2.gz KGSAXRVOSXDJQW-NRFANRHFSA-N -1 1 551.690 5.051 40 0 KKABMM O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409411515 1072794379 /nfs/dbraw/zinc/79/43/79/1072794379.db2.gz IGOOESINJCPSBW-UHFFFAOYSA-N -1 1 692.952 7.300 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000409411357 1072795733 /nfs/dbraw/zinc/79/57/33/1072795733.db2.gz GYCXMUCRULBDQQ-UHFFFAOYSA-N -1 1 642.243 6.322 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2C)ccc1C ZINC000409411625 1072795741 /nfs/dbraw/zinc/79/57/41/1072795741.db2.gz YCPPRGLMLHILFW-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409411295 1072797231 /nfs/dbraw/zinc/79/72/31/1072797231.db2.gz FNXRRSILJHFROY-UHFFFAOYSA-N -1 1 590.510 5.872 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000409410204 1072805977 /nfs/dbraw/zinc/80/59/77/1072805977.db2.gz LGRUUFHTFQNCKR-UHFFFAOYSA-N -1 1 571.680 6.002 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)ccc2C)c1 ZINC000409410102 1072806918 /nfs/dbraw/zinc/80/69/18/1072806918.db2.gz TXTGYZPTCGMIIH-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2C)c1 ZINC000409410018 1072807960 /nfs/dbraw/zinc/80/79/60/1072807960.db2.gz KNXRNNRDPUEHND-UHFFFAOYSA-N -1 1 512.075 5.337 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)c(C)c1 ZINC000409409101 1072812828 /nfs/dbraw/zinc/81/28/28/1072812828.db2.gz NBNVLWLSPYMNEV-UHFFFAOYSA-N -1 1 507.837 6.081 40 0 KKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000409178487 1072816096 /nfs/dbraw/zinc/81/60/96/1072816096.db2.gz IUOCUPBDKPEWJK-HNNXBMFYSA-N -1 1 529.005 6.587 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)ccc2C)c(C)c1 ZINC000409408386 1072817057 /nfs/dbraw/zinc/81/70/57/1072817057.db2.gz CFFMWWKQBAGVHI-UHFFFAOYSA-N -1 1 528.718 7.205 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000409407465 1072820833 /nfs/dbraw/zinc/82/08/33/1072820833.db2.gz GCHSSLJEZDSYMJ-UHFFFAOYSA-N -1 1 612.944 6.006 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C)c1C ZINC000409407347 1072821397 /nfs/dbraw/zinc/82/13/97/1072821397.db2.gz FKVZONVBYGOYRE-UHFFFAOYSA-N -1 1 500.620 6.244 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1)S(C)(=O)=O ZINC000409177495 1072822454 /nfs/dbraw/zinc/82/24/54/1072822454.db2.gz BKXCTUCCXWZJMS-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2oc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3c2c1 ZINC000409224964 1072981129 /nfs/dbraw/zinc/98/11/29/1072981129.db2.gz MVKMDFKZVRQGRG-UHFFFAOYSA-N -1 1 532.426 6.526 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3c2c1 ZINC000409224190 1072984445 /nfs/dbraw/zinc/98/44/45/1072984445.db2.gz JUNZHQSBQVZCOW-UHFFFAOYSA-N -1 1 575.495 7.111 40 0 KKABMM COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000906896 551569994 /nfs/dbraw/zinc/56/99/94/551569994.db2.gz FNHOQSKQQRBTCM-UHFFFAOYSA-N -1 1 599.738 6.091 40 0 KKABMM Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000003083361 552285858 /nfs/dbraw/zinc/28/58/58/552285858.db2.gz PUQXRMUGANYCTB-UHFFFAOYSA-N -1 1 556.219 5.394 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5cc(C)ccc5C)cc4c3c2)c1 ZINC000005941765 552514043 /nfs/dbraw/zinc/51/40/43/552514043.db2.gz GFMBSDMDVAMFDH-UHFFFAOYSA-N -1 1 534.659 6.421 40 0 KKABMM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC4(C)CC3CC(C)(C)C4)cc2)cc1 ZINC000006250855 552575547 /nfs/dbraw/zinc/57/55/47/552575547.db2.gz HHBUTYKSWMVZHA-JHOBJCJYSA-N -1 1 597.759 5.338 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810550 553148457 /nfs/dbraw/zinc/14/84/57/553148457.db2.gz GXMMTBHCONWZNQ-UHFFFAOYSA-N -1 1 507.292 6.204 40 0 KKABMM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000008833323 553160053 /nfs/dbraw/zinc/16/00/53/553160053.db2.gz CGYXNIZFIJWHCN-UHFFFAOYSA-N -1 1 512.385 5.407 40 0 KKABMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2C)C[C@H](C(C)(C)C)CC3 ZINC000008870426 553171668 /nfs/dbraw/zinc/17/16/68/553171668.db2.gz CGFXLXUQEGJFKC-QGZVFWFLSA-N -1 1 502.636 6.436 40 0 KKABMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)cc1 ZINC000009289306 553234254 /nfs/dbraw/zinc/23/42/54/553234254.db2.gz QFYILUKLENNBNI-QFQXNSOFSA-N -1 1 504.718 5.374 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2C)cc1 ZINC000010314569 553332811 /nfs/dbraw/zinc/33/28/11/553332811.db2.gz MFURWIQLBZVMFX-UHFFFAOYSA-N -1 1 519.022 6.241 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)c2C)cc1 ZINC000010315130 553333021 /nfs/dbraw/zinc/33/30/21/553333021.db2.gz XASGQMCXUMYYKE-UHFFFAOYSA-N -1 1 505.640 5.419 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000010315220 553333213 /nfs/dbraw/zinc/33/32/13/553333213.db2.gz SZCJMRMARFNNSL-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2C)cc1 ZINC000010330448 553334054 /nfs/dbraw/zinc/33/40/54/553334054.db2.gz JAWDUBUHQSAKAO-UHFFFAOYSA-N -1 1 519.022 6.241 40 0 KKABMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000010332609 553334173 /nfs/dbraw/zinc/33/41/73/553334173.db2.gz IBCZIFIFWYWXHZ-UHFFFAOYSA-N -1 1 503.329 5.994 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2)c1 ZINC000010333758 553334184 /nfs/dbraw/zinc/33/41/84/553334184.db2.gz ODSNITQPUAJOBT-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013759230 553488599 /nfs/dbraw/zinc/48/85/99/553488599.db2.gz ZNEGYHPAXNBYEZ-HJOGWXRNSA-N -1 1 502.368 5.290 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)ccc1C ZINC000014155115 553504806 /nfs/dbraw/zinc/50/48/06/553504806.db2.gz DPNDXBMSVSTMSL-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014398259 553515020 /nfs/dbraw/zinc/51/50/20/553515020.db2.gz RFDZOVUJRIXJMO-SFHVURJKSA-N -1 1 501.048 6.153 40 0 KKABMM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000014398768 553515038 /nfs/dbraw/zinc/51/50/38/553515038.db2.gz QPQHNRJRHGQNGA-UHFFFAOYSA-N -1 1 519.417 5.056 40 0 KKABMM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000014398830 553515089 /nfs/dbraw/zinc/51/50/89/553515089.db2.gz BLBMJYSMZKHZHS-CQSZACIVSA-N -1 1 509.809 5.309 40 0 KKABMM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000014400742 553515408 /nfs/dbraw/zinc/51/54/08/553515408.db2.gz KMFYHMVKMQCQOO-QFIPXVFZSA-N -1 1 508.518 5.311 40 0 KKABMM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c([O-])c(Br)c3Br)S2)cc1 ZINC000016161843 553555675 /nfs/dbraw/zinc/55/56/75/553555675.db2.gz ZBITVCSMENYNOD-BZPDREMPSA-N -1 1 514.239 5.088 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000020459551 553654584 /nfs/dbraw/zinc/65/45/84/553654584.db2.gz FRAXKGRFZXLJPN-HNNXBMFYSA-N -1 1 510.559 5.634 40 0 KKABMM COc1ccc(C(OCCCCCC[N-]C(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000077273578 553657557 /nfs/dbraw/zinc/65/75/57/553657557.db2.gz LQCWHEZJZDDJHX-UHFFFAOYSA-N -1 1 515.572 6.251 40 0 in-vitro KKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020483343 553658297 /nfs/dbraw/zinc/65/82/97/553658297.db2.gz JXLFJULOHUXIEK-JOCHJYFZSA-N -1 1 509.480 6.612 40 0 KKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)cc1 ZINC000020023324 553662806 /nfs/dbraw/zinc/66/28/06/553662806.db2.gz AOJPSWNVIDIWTJ-AWEZNQCLSA-N -1 1 513.830 5.704 40 0 KKABMM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000020023328 553662826 /nfs/dbraw/zinc/66/28/26/553662826.db2.gz WBWSFJYMXASXDG-OAHLLOKOSA-N -1 1 509.411 5.059 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N[C@@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000020024267 553663103 /nfs/dbraw/zinc/66/31/03/553663103.db2.gz VZWCAMZSRIWUGZ-SFHVURJKSA-N -1 1 501.446 5.368 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc1Cl)CCCC2 ZINC000020042240 553669231 /nfs/dbraw/zinc/66/92/31/553669231.db2.gz MKLKLBBJKDTOTN-UHFFFAOYSA-N -1 1 519.044 5.428 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000020766240 553697184 /nfs/dbraw/zinc/69/71/84/553697184.db2.gz WQHLVUAFCJNZQC-UHFFFAOYSA-N -1 1 506.624 5.346 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000020766989 553697547 /nfs/dbraw/zinc/69/75/47/553697547.db2.gz XTZXJRVWMROISE-UHFFFAOYSA-N -1 1 510.587 5.176 40 0 KKABMM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021306255 553709486 /nfs/dbraw/zinc/70/94/86/553709486.db2.gz AHMZIZZOIDYXIL-NRFANRHFSA-N -1 1 513.830 6.244 40 0 KKABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022112363 553727161 /nfs/dbraw/zinc/72/71/61/553727161.db2.gz SAMFUQKHGYKXLL-UHFFFAOYSA-N -1 1 518.264 6.040 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1OC ZINC000022514896 553743603 /nfs/dbraw/zinc/74/36/03/553743603.db2.gz JEUMEFNCLICZOB-HNNXBMFYSA-N -1 1 507.033 5.277 40 0 KKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000022519835 553743919 /nfs/dbraw/zinc/74/39/19/553743919.db2.gz AGVUYFTXMUZKCQ-JOCHJYFZSA-N -1 1 509.480 6.612 40 0 KKABMM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022533904 553745794 /nfs/dbraw/zinc/74/57/94/553745794.db2.gz FNRNCKDIAHTRDH-KRWDZBQOSA-N -1 1 500.020 5.230 40 0 KKABMM CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000097954881 553826384 /nfs/dbraw/zinc/82/63/84/553826384.db2.gz KWKZEBNITZMECM-CHQNGUEUSA-N -1 1 534.612 6.024 40 0 KKABMM Cc1cc([C@]2(c3ccccc3)C(=O)Nc3ccccc32)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1O ZINC000028458577 553842245 /nfs/dbraw/zinc/84/22/45/553842245.db2.gz AZFAPIZFJPRMSM-WJOKGBTCSA-N -1 1 526.658 6.085 40 0 KKABMM Cc1cc([C@@]2(c3ccccc3)C(=O)Nc3ccccc32)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1O ZINC000028458574 553842287 /nfs/dbraw/zinc/84/22/87/553842287.db2.gz AZFAPIZFJPRMSM-HKBQPEDESA-N -1 1 526.658 6.085 40 0 KKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000030751884 553855924 /nfs/dbraw/zinc/85/59/24/553855924.db2.gz OMSHHRIXCOQYBN-RUZDIDTESA-N -1 1 509.027 6.399 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1 ZINC000030757074 553856931 /nfs/dbraw/zinc/85/69/31/553856931.db2.gz VCESSOUARDAYBJ-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM Cc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000030861954 553859303 /nfs/dbraw/zinc/85/93/03/553859303.db2.gz ARIGEZFINLNXNA-UHFFFAOYSA-N -1 1 526.658 6.577 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1OC ZINC000030865133 553859874 /nfs/dbraw/zinc/85/98/74/553859874.db2.gz PDJYPPWXWHMTJB-MRXNPFEDSA-N -1 1 521.060 5.586 40 0 KKABMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)c4ccc5c(c4)CCCC5)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000036633765 554229766 /nfs/dbraw/zinc/22/97/66/554229766.db2.gz GXDPRJZOTARLLV-XRKRLSELSA-N -1 1 523.658 5.996 40 0 KKABMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)c4ccc5c(c4)CCCC5)s3)[C@H](c3ccccc3)C2)cc1 ZINC000036633764 554229850 /nfs/dbraw/zinc/22/98/50/554229850.db2.gz GXDPRJZOTARLLV-LMSSTIIKSA-N -1 1 523.658 5.996 40 0 KKABMM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000038755084 554276452 /nfs/dbraw/zinc/27/64/52/554276452.db2.gz OYRILVINKBIAGN-RUZDIDTESA-N -1 1 511.068 6.803 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1cc([N-]S(=O)(=O)c3ccccc3)ccc1Cl)CCCC2 ZINC000038756553 554277033 /nfs/dbraw/zinc/27/70/33/554277033.db2.gz DBHWPHRXSLPVGQ-UHFFFAOYSA-N -1 1 519.044 5.510 40 0 KKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OCC ZINC000044850546 554305264 /nfs/dbraw/zinc/30/52/64/554305264.db2.gz HRSRQHHPTVCMOH-GOSISDBHSA-N -1 1 517.047 5.738 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCc4c(C)cc(C(C)(C)C)cc4C)sc3c2)cc1 ZINC000059417588 554393524 /nfs/dbraw/zinc/39/35/24/554393524.db2.gz OAFKETINHCEQIY-UHFFFAOYSA-N -1 1 510.750 7.612 40 0 KKABMM COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000059691209 554425288 /nfs/dbraw/zinc/42/52/88/554425288.db2.gz AHLVUUYQHIHCOK-IZLXSDGUSA-N -1 1 569.086 6.680 40 0 KKABMM COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000059691216 554425326 /nfs/dbraw/zinc/42/53/26/554425326.db2.gz AHLVUUYQHIHCOK-VSGBNLITSA-N -1 1 569.086 6.680 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000059691193 554425460 /nfs/dbraw/zinc/42/54/60/554425460.db2.gz NOASGPGUUUIPEX-LOSJGSFVSA-N -1 1 561.063 5.695 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000059837280 554442543 /nfs/dbraw/zinc/44/25/43/554442543.db2.gz AIYJZZWHAKIMCE-UHFFFAOYSA-N -1 1 537.318 5.970 40 0 KKABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059858342 554455619 /nfs/dbraw/zinc/45/56/19/554455619.db2.gz MHXVNACWQIUDBB-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cccc(C)c2)cc1 ZINC000059858304 554455710 /nfs/dbraw/zinc/45/57/10/554455710.db2.gz ZQEPXNYVEDWIRA-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccccc2Cl)cc1 ZINC000059858704 554456256 /nfs/dbraw/zinc/45/62/56/554456256.db2.gz VXKHIMSMMVLBIT-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000100727405 554457878 /nfs/dbraw/zinc/45/78/78/554457878.db2.gz CZKTYPOIXMVYQB-WFXMLNOXSA-N -1 1 543.723 5.466 40 0 KKABMM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000059882145 554457868 /nfs/dbraw/zinc/45/78/68/554457868.db2.gz XVFBQCXMTNNLHF-UHFFFAOYSA-N -1 1 529.005 6.340 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000059882552 554458479 /nfs/dbraw/zinc/45/84/79/554458479.db2.gz ULYCRLRGTQLAKY-UHFFFAOYSA-N -1 1 600.516 5.084 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882771 554458986 /nfs/dbraw/zinc/45/89/86/554458986.db2.gz QHDMSRXPCJKJAS-UHFFFAOYSA-N -1 1 591.755 6.062 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000059882808 554459053 /nfs/dbraw/zinc/45/90/53/554459053.db2.gz WDPXVKFWOQMGCR-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000059882912 554459196 /nfs/dbraw/zinc/45/91/96/554459196.db2.gz XGONPVRCMQMXQZ-UHFFFAOYSA-N -1 1 606.125 6.128 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cc(C)ccc2C)cc1 ZINC000059883003 554459527 /nfs/dbraw/zinc/45/95/27/554459527.db2.gz LQRSZHKYULIFDD-UHFFFAOYSA-N -1 1 613.761 6.400 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(Cl)cc2)cc1 ZINC000059883133 554459627 /nfs/dbraw/zinc/45/96/27/554459627.db2.gz FQDUGWNIPZSKCD-UHFFFAOYSA-N -1 1 620.152 6.436 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059883370 554460138 /nfs/dbraw/zinc/46/01/38/554460138.db2.gz IMXBPHVFHPOJDG-UHFFFAOYSA-N -1 1 620.536 5.637 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059883498 554460626 /nfs/dbraw/zinc/46/06/26/554460626.db2.gz VXKNPOKSLKGAEG-UHFFFAOYSA-N -1 1 593.727 5.255 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884091 554461675 /nfs/dbraw/zinc/46/16/75/554461675.db2.gz OAENCANYPDNGJL-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(C(F)(F)F)c1 ZINC000059884189 554462127 /nfs/dbraw/zinc/46/21/27/554462127.db2.gz NABANLRWYSGQMD-UHFFFAOYSA-N -1 1 577.606 5.064 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000059884604 554463053 /nfs/dbraw/zinc/46/30/53/554463053.db2.gz CGFPTAZTHUGPCB-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000059885348 554464410 /nfs/dbraw/zinc/46/44/10/554464410.db2.gz IJCRMXWAKGTVRW-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccccc2)cc1 ZINC000059886339 554466572 /nfs/dbraw/zinc/46/65/72/554466572.db2.gz OZPSLSSKSUOUOH-KOEQRZSOSA-N -1 1 587.019 7.348 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886778 554467280 /nfs/dbraw/zinc/46/72/80/554467280.db2.gz BWIXJTZWIFPSLY-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000059887147 554467966 /nfs/dbraw/zinc/46/79/66/554467966.db2.gz HYCJDODLXPGVPY-UHFFFAOYSA-N -1 1 600.118 5.646 40 0 KKABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059887098 554468052 /nfs/dbraw/zinc/46/80/52/554468052.db2.gz SZMMRLLLZWHRTE-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OC ZINC000059887272 554468335 /nfs/dbraw/zinc/46/83/35/554468335.db2.gz URHVEZHTLPFLGU-UUILKARUSA-N -1 1 540.947 5.829 40 0 KKABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059887891 554469585 /nfs/dbraw/zinc/46/95/85/554469585.db2.gz IMMQDZUWSNDZQQ-UHFFFAOYSA-N -1 1 598.146 6.098 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000059887833 554469624 /nfs/dbraw/zinc/46/96/24/554469624.db2.gz QIYHARNHLGZHHB-UHFFFAOYSA-N -1 1 558.081 5.007 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000059887905 554469934 /nfs/dbraw/zinc/46/99/34/554469934.db2.gz HGJHEJWINVFMNW-UHFFFAOYSA-N -1 1 612.051 5.718 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C)cc2C)cc1 ZINC000059888109 554470438 /nfs/dbraw/zinc/47/04/38/554470438.db2.gz RRJYVXOQGBZUJK-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000059888869 554471734 /nfs/dbraw/zinc/47/17/34/554471734.db2.gz LAQJSVWGRDUPKT-UHFFFAOYSA-N -1 1 614.145 5.600 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000059888876 554471775 /nfs/dbraw/zinc/47/17/75/554471775.db2.gz KBFOAFBFMOSTOL-UHFFFAOYSA-N -1 1 615.733 5.873 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)N1CCC(C)CC1 ZINC000059923649 554473815 /nfs/dbraw/zinc/47/38/15/554473815.db2.gz TZCPFLWLJLSEAK-UHFFFAOYSA-N -1 1 563.720 5.918 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000059924492 554475562 /nfs/dbraw/zinc/47/55/62/554475562.db2.gz KIDCSAABTVMECN-UHFFFAOYSA-N -1 1 551.974 5.534 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)c(Cl)c2)cc1 ZINC000059924669 554475835 /nfs/dbraw/zinc/47/58/35/554475835.db2.gz FOOPGAHLWDOZQM-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000060017947 554488880 /nfs/dbraw/zinc/48/88/80/554488880.db2.gz FJKMFYXCDQMZQI-UHFFFAOYSA-N -1 1 554.693 7.064 40 0 KKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OC ZINC000060018313 554489475 /nfs/dbraw/zinc/48/94/75/554489475.db2.gz GTQVTACZQMKJKX-UHFFFAOYSA-N -1 1 527.451 5.542 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c1 ZINC000060028152 554490410 /nfs/dbraw/zinc/49/04/10/554490410.db2.gz KHJCNJZCNXNCCP-UHFFFAOYSA-N -1 1 554.712 7.193 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000060060009 554498107 /nfs/dbraw/zinc/49/81/07/554498107.db2.gz HGTPFINBYLAUHU-UHFFFAOYSA-N -1 1 582.531 5.362 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1C ZINC000060059968 554498202 /nfs/dbraw/zinc/49/82/02/554498202.db2.gz NDXYHCHGTMFDNY-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000060060816 554500754 /nfs/dbraw/zinc/50/07/54/554500754.db2.gz LGFJAFIEWHSMNG-UHFFFAOYSA-N -1 1 529.898 6.111 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)cc2Cl)cc1 ZINC000060060837 554501115 /nfs/dbraw/zinc/50/11/15/554501115.db2.gz AYVQSXHMYLXUEB-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356308 554915139 /nfs/dbraw/zinc/91/51/39/554915139.db2.gz MPCOETQERIURHX-LLVKDONJSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356465 554915406 /nfs/dbraw/zinc/91/54/06/554915406.db2.gz UYESAVVGGVRCBG-SNVBAGLBSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356422 554915474 /nfs/dbraw/zinc/91/54/74/554915474.db2.gz CCPFKUZSYGPWGZ-JTQLQIEISA-N -1 1 513.168 5.192 40 0 KKABMM CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000103538170 555437178 /nfs/dbraw/zinc/43/71/78/555437178.db2.gz DLYNJURBUZENLF-NAQGONTDSA-N -1 1 534.999 6.179 40 0 KKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000103768405 555473986 /nfs/dbraw/zinc/47/39/86/555473986.db2.gz XIGLPLGIDUCNMJ-UHFFFAOYSA-N -1 1 523.583 5.847 40 0 KKABMM O=c1/c(=C\c2ccc([O-])c(Br)c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000103791031 555480583 /nfs/dbraw/zinc/48/05/83/555480583.db2.gz KXFZSZHQIKXLTI-AQIZGWBQSA-N -1 1 549.877 5.440 40 0 KKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000104018073 571371345 /nfs/dbraw/zinc/37/13/45/571371345.db2.gz VKDZHRZZMQQJGX-VWLOTQADSA-N -1 1 529.445 6.744 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)ccc2C)cc1C ZINC000105285027 571392570 /nfs/dbraw/zinc/39/25/70/571392570.db2.gz WGTCBYJQLCEPCC-UHFFFAOYSA-N -1 1 537.534 6.383 40 0 KKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3[O-])nc2c1 ZINC000105308217 571395095 /nfs/dbraw/zinc/39/50/95/571395095.db2.gz SLEDIMYEXDCTRJ-UHFFFAOYSA-N -1 1 566.466 8.017 40 0 KKABMM CCOc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc(OCC)c1OCC ZINC000105310428 571395954 /nfs/dbraw/zinc/39/59/54/571395954.db2.gz GRBOGDQQGPDJQV-UHFFFAOYSA-N -1 1 549.649 6.140 40 0 KKABMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1Br ZINC000105310432 571396013 /nfs/dbraw/zinc/39/60/13/571396013.db2.gz ZUHQAMXLACNBSM-UHFFFAOYSA-N -1 1 526.412 5.715 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Br)cc(Br)c4OC)cc3[O-])nc2c1 ZINC000105310609 571396096 /nfs/dbraw/zinc/39/60/96/571396096.db2.gz KVZXIKCTDMGRBY-UHFFFAOYSA-N -1 1 605.308 6.423 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3[O-])oc2c(C)c1 ZINC000105310500 571396140 /nfs/dbraw/zinc/39/61/40/571396140.db2.gz XKYABYLRVDNPPQ-UHFFFAOYSA-N -1 1 542.469 7.466 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c1 ZINC000105887127 571409199 /nfs/dbraw/zinc/40/91/99/571409199.db2.gz BUVILXKCCKRYJJ-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)cc1OC ZINC000105901247 571409357 /nfs/dbraw/zinc/40/93/57/571409357.db2.gz MKGYKLYRCADQLB-UHFFFAOYSA-N -1 1 616.117 5.235 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)cc1Cl ZINC000108304847 571423071 /nfs/dbraw/zinc/42/30/71/571423071.db2.gz GXYHTJDLSWKODD-UHFFFAOYSA-N -1 1 539.904 6.084 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1 ZINC000109060162 571428253 /nfs/dbraw/zinc/42/82/53/571428253.db2.gz KMXQHHVHCOPXHV-UHFFFAOYSA-N -1 1 579.700 5.556 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000109152595 571428564 /nfs/dbraw/zinc/42/85/64/571428564.db2.gz RWWLPPCGHPYWFZ-UHFFFAOYSA-N -1 1 614.145 5.433 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)ccc2C)c1 ZINC000109185580 571428771 /nfs/dbraw/zinc/42/87/71/571428771.db2.gz NKFPTCWBVHOGQE-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2)cc1OC ZINC000109753472 571429891 /nfs/dbraw/zinc/42/98/91/571429891.db2.gz LDOARAFWXVWQEN-UHFFFAOYSA-N -1 1 616.117 5.235 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000112256786 571437511 /nfs/dbraw/zinc/43/75/11/571437511.db2.gz XIJGBMDFSLGJKB-UHFFFAOYSA-N -1 1 592.139 5.131 40 0 KKABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000112256815 571437584 /nfs/dbraw/zinc/43/75/84/571437584.db2.gz HTMMPJAXSKSBCZ-UHFFFAOYSA-N -1 1 564.129 5.251 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000112256393 571437586 /nfs/dbraw/zinc/43/75/86/571437586.db2.gz KKIUXCBSKCWUES-UHFFFAOYSA-N -1 1 592.139 5.131 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)c(F)c3)ccc21 ZINC000113511394 571439420 /nfs/dbraw/zinc/43/94/20/571439420.db2.gz QOQKHKWQSMYEMU-UHFFFAOYSA-N -1 1 556.446 7.313 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1F)c1ccc(Cl)cc1Cl ZINC000113511663 571439458 /nfs/dbraw/zinc/43/94/58/571439458.db2.gz ZDJFMTBUPFVIJC-UHFFFAOYSA-N -1 1 518.191 5.948 40 0 KKABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O ZINC000113620653 571441169 /nfs/dbraw/zinc/44/11/69/571441169.db2.gz FAZMVQQTIJKKQY-HNNXBMFYSA-N -1 1 590.938 5.549 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000113637540 571442113 /nfs/dbraw/zinc/44/21/13/571442113.db2.gz JPDWGHQQRASTNN-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000113640277 571442285 /nfs/dbraw/zinc/44/22/85/571442285.db2.gz KILGNWTXYOBJSR-UHFFFAOYSA-N -1 1 616.976 5.628 40 0 KKABMM CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c2ccccc2O1 ZINC000223225281 571447457 /nfs/dbraw/zinc/44/74/57/571447457.db2.gz RGRJBFJQPVHXEX-RUZDIDTESA-N -1 1 506.668 6.225 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000139732473 571453841 /nfs/dbraw/zinc/45/38/41/571453841.db2.gz BYBQNWCKCZZFSZ-UHFFFAOYSA-N -1 1 607.075 7.583 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000140030067 571454447 /nfs/dbraw/zinc/45/44/47/571454447.db2.gz XYFMBHDJPBPHAU-UHFFFAOYSA-N -1 1 532.065 6.264 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)N1CCCCC1 ZINC000140123711 571455222 /nfs/dbraw/zinc/45/52/22/571455222.db2.gz XXXCAKBJNPBTOL-UHFFFAOYSA-N -1 1 534.678 5.651 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000140138571 571455274 /nfs/dbraw/zinc/45/52/74/571455274.db2.gz GWEAXYVWAXHZFW-UHFFFAOYSA-N -1 1 610.928 6.501 40 0 KKABMM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000140342509 571455454 /nfs/dbraw/zinc/45/54/54/571455454.db2.gz PGNVBOBXIGRCEV-HNNXBMFYSA-N -1 1 526.964 6.128 40 0 KKABMM CCSc1nnc2c(n1)O[C@@H](c1cc(OC)c([O-])c(Br)c1Br)Nc1ccc(Br)cc1-2 ZINC000150354832 571462975 /nfs/dbraw/zinc/46/29/75/571462975.db2.gz SMLSKUCVZNYMCN-KRWDZBQOSA-N -1 1 619.133 6.155 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000150412170 571484210 /nfs/dbraw/zinc/48/42/10/571484210.db2.gz CSYYWMKNPPFZLC-UHFFFAOYSA-N -1 1 632.591 6.128 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cc(Cl)ccc1Cl ZINC000150422660 571488455 /nfs/dbraw/zinc/48/84/55/571488455.db2.gz ITOVPWREPYLWNC-UHFFFAOYSA-N -1 1 625.383 6.286 40 0 KKABMM O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000150426036 571490371 /nfs/dbraw/zinc/49/03/71/571490371.db2.gz MFTPWHWOIFHFFR-UHFFFAOYSA-N -1 1 648.162 6.767 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000150429934 571492974 /nfs/dbraw/zinc/49/29/74/571492974.db2.gz GQPBPENVIBSTRN-MRXNPFEDSA-N -1 1 684.973 6.647 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000150429947 571493057 /nfs/dbraw/zinc/49/30/57/571493057.db2.gz FHRKJWGUUQDXPG-UHFFFAOYSA-N -1 1 684.973 6.647 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000150430052 571493093 /nfs/dbraw/zinc/49/30/93/571493093.db2.gz BIFXVRIEAWKROC-IBGZPJMESA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000150431488 571493738 /nfs/dbraw/zinc/49/37/38/571493738.db2.gz KIOUITJGTOMRHC-LJQANCHMSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)cc2)cc1Cl ZINC000150432032 571493842 /nfs/dbraw/zinc/49/38/42/571493842.db2.gz KALMXUYUXJEKRP-SFHVURJKSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000150435731 571495796 /nfs/dbraw/zinc/49/57/96/571495796.db2.gz WYPDBAPIEMOULA-UHFFFAOYSA-N -1 1 706.640 7.185 40 0 KKABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cc(C)ccc4C)c3)cc2)c1 ZINC000150435796 571495815 /nfs/dbraw/zinc/49/58/15/571495815.db2.gz NDQOZLNUOYRGCZ-UHFFFAOYSA-N -1 1 630.144 5.828 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000150436264 571496008 /nfs/dbraw/zinc/49/60/08/571496008.db2.gz QJEUCFVHRTUUNV-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163268490 571534639 /nfs/dbraw/zinc/53/46/39/571534639.db2.gz OCAFMEXETOBVJN-DJTCXORXSA-N -1 1 748.380 5.251 40 0 KKABMM O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000197822220 571564734 /nfs/dbraw/zinc/56/47/34/571564734.db2.gz HEYVMZBJCGRTPX-UHFFFAOYSA-N -1 1 624.955 6.282 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cccc(Cl)c2C)cc1 ZINC000197823514 571564793 /nfs/dbraw/zinc/56/47/93/571564793.db2.gz WAXSQRVBKCLRFA-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccccc2)cc1 ZINC000197825955 571565213 /nfs/dbraw/zinc/56/52/13/571565213.db2.gz BVFVPEQLMFDFFQ-UHFFFAOYSA-N -1 1 668.115 6.392 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000197826871 571565231 /nfs/dbraw/zinc/56/52/31/571565231.db2.gz QZBJXBRSDXDFPQ-UHFFFAOYSA-N -1 1 634.563 5.945 40 0 KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000197829379 571565494 /nfs/dbraw/zinc/56/54/94/571565494.db2.gz BHBBRSYLLXZAKG-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000197831408 571565763 /nfs/dbraw/zinc/56/57/63/571565763.db2.gz WGXIDPHIDRYZDL-UHFFFAOYSA-N -1 1 663.015 6.354 40 0 KKABMM O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000197831607 571565924 /nfs/dbraw/zinc/56/59/24/571565924.db2.gz IDCUKEMAVJICIU-UHFFFAOYSA-N -1 1 624.062 5.994 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000198311827 571566916 /nfs/dbraw/zinc/56/69/16/571566916.db2.gz KJBQIFFKDQQJHK-UHFFFAOYSA-N -1 1 674.595 5.410 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000198311509 571566924 /nfs/dbraw/zinc/56/69/24/571566924.db2.gz ZVRNAEVPMPVHGN-UHFFFAOYSA-N -1 1 668.115 6.392 40 0 KKABMM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000198310247 571566938 /nfs/dbraw/zinc/56/69/38/571566938.db2.gz NOFZQJJOTVFPLF-UHFFFAOYSA-N -1 1 641.771 6.452 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000198311246 571566948 /nfs/dbraw/zinc/56/69/48/571566948.db2.gz UDHAUKLSYXUGRZ-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000198311482 571566950 /nfs/dbraw/zinc/56/69/50/571566950.db2.gz FHBSSOZBMMNHHV-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198311586 571566958 /nfs/dbraw/zinc/56/69/58/571566958.db2.gz VUHPWBPSMBODQT-UHFFFAOYSA-N -1 1 658.596 5.709 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000198315795 571567445 /nfs/dbraw/zinc/56/74/45/571567445.db2.gz JBFICUUHGNXKMP-UHFFFAOYSA-N -1 1 663.696 5.666 40 0 KKABMM Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000198314908 571567447 /nfs/dbraw/zinc/56/74/47/571567447.db2.gz JTEKZKSQFRACJB-UHFFFAOYSA-N -1 1 674.244 7.714 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000198315686 571567457 /nfs/dbraw/zinc/56/74/57/571567457.db2.gz CNGLVJCFGGRYIS-UHFFFAOYSA-N -1 1 680.588 5.654 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(Cl)cc2)cc1 ZINC000198315662 571567461 /nfs/dbraw/zinc/56/74/61/571567461.db2.gz QQTPNGPUESFPRR-UHFFFAOYSA-N -1 1 654.088 6.002 40 0 KKABMM Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000198315708 571567487 /nfs/dbraw/zinc/56/74/87/571567487.db2.gz PRSWXELRDDCCQH-UHFFFAOYSA-N -1 1 725.086 7.860 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000198315918 571567497 /nfs/dbraw/zinc/56/74/97/571567497.db2.gz XCFOWLMWDGNAJH-UHFFFAOYSA-N -1 1 644.171 5.609 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000198319389 571567827 /nfs/dbraw/zinc/56/78/27/571567827.db2.gz GCAFBTRFUVBIDT-UHFFFAOYSA-N -1 1 633.670 5.657 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2F)cc1 ZINC000198320057 571567857 /nfs/dbraw/zinc/56/78/57/571567857.db2.gz PRSFEBSUOASXKP-UHFFFAOYSA-N -1 1 632.533 5.531 40 0 KKABMM COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000214165355 571577875 /nfs/dbraw/zinc/57/78/75/571577875.db2.gz NTKCOAWETNCEDG-NTUHNPAUSA-N -1 1 533.625 5.816 40 0 KKABMM O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000215901962 571586940 /nfs/dbraw/zinc/58/69/40/571586940.db2.gz WPWQHUXMSKFPOR-UHFFFAOYSA-N -1 1 534.037 5.366 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)c(Cl)c2)cc1 ZINC000215903758 571586977 /nfs/dbraw/zinc/58/69/77/571586977.db2.gz BIMRRVFFOAYPLQ-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)cc2)cc1 ZINC000215902740 571587021 /nfs/dbraw/zinc/58/70/21/571587021.db2.gz JMPTXMCOBYXJJV-UHFFFAOYSA-N -1 1 600.118 5.901 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215926299 571588026 /nfs/dbraw/zinc/58/80/26/571588026.db2.gz ILIVBRQYTHYTMD-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000215929261 571588203 /nfs/dbraw/zinc/58/82/03/571588203.db2.gz ZLJIDYRLOMMXKN-UHFFFAOYSA-N -1 1 642.597 5.584 40 0 KKABMM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000215941317 571588846 /nfs/dbraw/zinc/58/88/46/571588846.db2.gz YDQGHFRKCGEOCU-UHFFFAOYSA-N -1 1 531.486 6.819 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(Cl)c2)cc1 ZINC000215953042 571589191 /nfs/dbraw/zinc/58/91/91/571589191.db2.gz IHQSOXMQRQHVAD-UHFFFAOYSA-N -1 1 537.991 5.430 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000215980752 571590496 /nfs/dbraw/zinc/59/04/96/571590496.db2.gz KPICNOQYIHBJND-UHFFFAOYSA-N -1 1 529.898 6.628 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1N1CCCC1=O ZINC000215992736 571591051 /nfs/dbraw/zinc/59/10/51/571591051.db2.gz BGSXUTHFBVTRKV-UHFFFAOYSA-N -1 1 604.028 5.096 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3c(Cl)cccc3Cl)c(Cl)c2)cc1 ZINC000215999618 571591359 /nfs/dbraw/zinc/59/13/59/571591359.db2.gz PJEBVELCEVTHLC-UHFFFAOYSA-N -1 1 543.925 6.419 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c(C)c1 ZINC000216130621 571593279 /nfs/dbraw/zinc/59/32/79/571593279.db2.gz QRBBHXXDXZFQBN-UHFFFAOYSA-N -1 1 554.712 7.193 40 0 KKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000216317027 571594593 /nfs/dbraw/zinc/59/45/93/571594593.db2.gz IXNVGEBAQFZASP-RUZDIDTESA-N -1 1 509.027 6.399 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000216355353 571595235 /nfs/dbraw/zinc/59/52/35/571595235.db2.gz 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KKABMM CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c2ccccc2O1 ZINC000225389763 571758724 /nfs/dbraw/zinc/75/87/24/571758724.db2.gz MADGPWFFPLYSGY-VWLOTQADSA-N -1 1 506.668 6.225 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)cc1[N-]S(C)(=O)=O ZINC000225474216 571844480 /nfs/dbraw/zinc/84/44/80/571844480.db2.gz UURPRXYEGOKMAT-LOSJGSFVSA-N -1 1 576.729 5.039 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)cc1[N-]S(C)(=O)=O ZINC000225474251 571844604 /nfs/dbraw/zinc/84/46/04/571844604.db2.gz UURPRXYEGOKMAT-JWQCQUIFSA-N -1 1 576.729 5.039 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(C)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225477499 571847834 /nfs/dbraw/zinc/84/78/34/571847834.db2.gz QBKVGMDCMLZRQB-FTJBHMTQSA-N -1 1 566.730 5.691 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478275 571848520 /nfs/dbraw/zinc/84/85/20/571848520.db2.gz CEDZJNYXMFUUAA-SXOMAYOGSA-N -1 1 553.754 5.562 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225490288 571860488 /nfs/dbraw/zinc/86/04/88/571860488.db2.gz MQTJIMRLADSKRX-LOSJGSFVSA-N -1 1 555.081 5.552 40 0 KKABMM CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)cc1 ZINC000225490706 571861037 /nfs/dbraw/zinc/86/10/37/571861037.db2.gz AEEPHPZIGBULQW-SXOMAYOGSA-N -1 1 564.689 5.298 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N-]S(C)(=O)=O ZINC000225491409 571861424 /nfs/dbraw/zinc/86/14/24/571861424.db2.gz JMLHRYJVCSSAOJ-DQEYMECFSA-N -1 1 589.526 6.206 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N-]S(C)(=O)=O ZINC000225491447 571861538 /nfs/dbraw/zinc/86/15/38/571861538.db2.gz JMLHRYJVCSSAOJ-RPBOFIJWSA-N -1 1 589.526 6.206 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N-]S(C)(=O)=O ZINC000225491515 571861629 /nfs/dbraw/zinc/86/16/29/571861629.db2.gz JMLHRYJVCSSAOJ-JWQCQUIFSA-N -1 1 589.526 6.206 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3Br)o2)cc1[N-]S(C)(=O)=O ZINC000225492387 571862331 /nfs/dbraw/zinc/86/23/31/571862331.db2.gz ZMSGCKDRHPTDCM-LOSJGSFVSA-N -1 1 617.522 5.800 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2c(C)c(C)n(-c3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225494313 571864195 /nfs/dbraw/zinc/86/41/95/571864195.db2.gz XZTWWEDEIKAZKF-WUFINQPMSA-N -1 1 561.733 5.355 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Br)c(Cl)c3)ccc2n1Cc1ccccc1 ZINC000225743911 572058236 /nfs/dbraw/zinc/05/82/36/572058236.db2.gz NZFJZROIELVGEV-UHFFFAOYSA-N -1 1 509.834 5.328 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225790794 572069146 /nfs/dbraw/zinc/06/91/46/572069146.db2.gz JMLUDMIDLNENHS-UHFFFAOYSA-N -1 1 531.055 5.522 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc2n1Cc1ccccc1Cl ZINC000225797064 572070457 /nfs/dbraw/zinc/07/04/57/572070457.db2.gz CQOURYWKDMDNFQ-UHFFFAOYSA-N -1 1 509.834 5.328 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225801515 572071441 /nfs/dbraw/zinc/07/14/41/572071441.db2.gz QEYYADYLHNCDSG-UHFFFAOYSA-N -1 1 592.164 5.130 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 ZINC000225804333 572072237 /nfs/dbraw/zinc/07/22/37/572072237.db2.gz LBUIBCNYNBNVMA-UHFFFAOYSA-N -1 1 531.055 5.522 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3c(C)cc(Br)cc3C)cc2)cc1 ZINC000226053088 572117753 /nfs/dbraw/zinc/11/77/53/572117753.db2.gz RECAJNFPDJRHBH-UHFFFAOYSA-N -1 1 501.446 5.746 40 0 KKABMM Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3Cl)c2)cs1 ZINC000226080444 572130409 /nfs/dbraw/zinc/13/04/09/572130409.db2.gz FGSKOWCPSYFUBT-UHFFFAOYSA-N -1 1 514.028 5.590 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)ccc2C)c1 ZINC000408544574 572216027 /nfs/dbraw/zinc/21/60/27/572216027.db2.gz HTVXVEYCEMQEHJ-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408544732 572216280 /nfs/dbraw/zinc/21/62/80/572216280.db2.gz JAVKWZWUDRRSLV-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)ccc2C)c1 ZINC000408545823 572221003 /nfs/dbraw/zinc/22/10/03/572221003.db2.gz AIYRZACXMPUZOY-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2C)cc1C ZINC000408545810 572221088 /nfs/dbraw/zinc/22/10/88/572221088.db2.gz ONJYLLLSEHQNSJ-UHFFFAOYSA-N -1 1 521.038 7.111 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c(OC)c1 ZINC000408546118 572222196 /nfs/dbraw/zinc/22/21/96/572222196.db2.gz CINXHHZJTRFDBM-UHFFFAOYSA-N -1 1 630.144 5.828 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c1)CCCC2 ZINC000408546488 572223350 /nfs/dbraw/zinc/22/33/50/572223350.db2.gz SXBOWQNILDMHLO-UHFFFAOYSA-N -1 1 526.680 5.782 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)c1C ZINC000408546895 572224523 /nfs/dbraw/zinc/22/45/23/572224523.db2.gz WTEWHNFECJHWDQ-UHFFFAOYSA-N -1 1 599.734 6.619 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2C)c1C ZINC000408547274 572225237 /nfs/dbraw/zinc/22/52/37/572225237.db2.gz YCZUDBFGLAYTJT-QHCPKHFHSA-N -1 1 541.673 6.156 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2C)c1 ZINC000408547701 572226868 /nfs/dbraw/zinc/22/68/68/572226868.db2.gz LPALFDXTZWEWTN-UHFFFAOYSA-N -1 1 555.722 5.230 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)cc1 ZINC000408547789 572227254 /nfs/dbraw/zinc/22/72/54/572227254.db2.gz MZOXXQDTNVIYQL-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(I)cc1 ZINC000408548196 572228466 /nfs/dbraw/zinc/22/84/66/572228466.db2.gz QJDCWLDFAONSJH-UHFFFAOYSA-N -1 1 528.371 5.498 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)ccc2C)c1 ZINC000408548800 572229999 /nfs/dbraw/zinc/22/99/99/572229999.db2.gz VKLOCIBYOMJUFC-UHFFFAOYSA-N -1 1 530.715 7.266 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000408549074 572230934 /nfs/dbraw/zinc/23/09/34/572230934.db2.gz WNJCSESEKWTKAL-UHFFFAOYSA-N -1 1 576.911 5.161 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)ccc2C)c1C ZINC000408549308 572231433 /nfs/dbraw/zinc/23/14/33/572231433.db2.gz XDANRNGTOIJYDR-UHFFFAOYSA-N -1 1 528.718 7.205 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408550241 572233802 /nfs/dbraw/zinc/23/38/02/572233802.db2.gz BTQOQFOUKISPAO-UHFFFAOYSA-N -1 1 555.483 6.402 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408553942 572241197 /nfs/dbraw/zinc/24/11/97/572241197.db2.gz XOGTXBYGOGZBDJ-UHFFFAOYSA-N -1 1 542.782 5.006 40 0 KKABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000408554604 572242163 /nfs/dbraw/zinc/24/21/63/572242163.db2.gz CPWSKHGDKUIFCT-UHFFFAOYSA-N -1 1 523.394 5.232 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408561870 572248328 /nfs/dbraw/zinc/24/83/28/572248328.db2.gz WIDLLLJFTOWVDN-UHFFFAOYSA-N -1 1 554.883 5.175 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408584615 572265857 /nfs/dbraw/zinc/26/58/57/572265857.db2.gz SASQZZJZRUMRQT-UHFFFAOYSA-N -1 1 589.884 6.696 40 0 KKABMM CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000408590129 572267573 /nfs/dbraw/zinc/26/75/73/572267573.db2.gz JKRQXZPXDXLSLK-UHFFFAOYSA-N -1 1 541.935 5.136 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccc(Cl)cc4Cl)c3)ccc21 ZINC000408592242 572268582 /nfs/dbraw/zinc/26/85/82/572268582.db2.gz JNGVXPGOPRNRFG-UHFFFAOYSA-N -1 1 568.482 7.183 40 0 KKABMM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000408593155 572268895 /nfs/dbraw/zinc/26/88/95/572268895.db2.gz PFRQCALLBQDHDU-UHFFFAOYSA-N -1 1 512.937 5.794 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408593886 572269415 /nfs/dbraw/zinc/26/94/15/572269415.db2.gz QLAGHZHQTBAGGN-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1C ZINC000408595067 572270046 /nfs/dbraw/zinc/27/00/46/572270046.db2.gz SZPOXCQPTKPCSV-UHFFFAOYSA-N -1 1 512.937 5.794 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1Cl ZINC000408595809 572270490 /nfs/dbraw/zinc/27/04/90/572270490.db2.gz UXIGTKMMYCPAJZ-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408595665 572270557 /nfs/dbraw/zinc/27/05/57/572270557.db2.gz SMKBHDSBUJCPND-QPJJXVBHSA-N -1 1 560.503 5.031 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)c1 ZINC000408600745 572272667 /nfs/dbraw/zinc/27/26/67/572272667.db2.gz CDYQYMJDIXPNBJ-UHFFFAOYSA-N -1 1 539.009 5.959 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408600774 572272671 /nfs/dbraw/zinc/27/26/71/572272671.db2.gz CIPQJXVBPZZTAD-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408601354 572272832 /nfs/dbraw/zinc/27/28/32/572272832.db2.gz FVYGCHYHDNWQCQ-UHFFFAOYSA-N -1 1 543.428 6.604 40 0 KKABMM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408601712 572273019 /nfs/dbraw/zinc/27/30/19/572273019.db2.gz GPWMOYZELJIMJB-UHFFFAOYSA-N -1 1 528.936 5.576 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408602235 572273271 /nfs/dbraw/zinc/27/32/71/572273271.db2.gz IKFPAZVFXKRYPI-UHFFFAOYSA-N -1 1 621.987 5.906 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408604314 572273919 /nfs/dbraw/zinc/27/39/19/572273919.db2.gz LYBXJTASVNMBKP-UHFFFAOYSA-N -1 1 587.325 6.849 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000408606296 572274713 /nfs/dbraw/zinc/27/47/13/572274713.db2.gz OPNYFAPYCSNGPM-UHFFFAOYSA-N -1 1 571.980 5.026 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2C)c1 ZINC000408609518 572275876 /nfs/dbraw/zinc/27/58/76/572275876.db2.gz OXLSXAIQIHZHOD-UHFFFAOYSA-N -1 1 519.667 5.681 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000408610681 572276192 /nfs/dbraw/zinc/27/61/92/572276192.db2.gz VGXYJEOKKWQBSP-UHFFFAOYSA-N -1 1 552.880 6.196 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc2C)c1 ZINC000408615078 572278068 /nfs/dbraw/zinc/27/80/68/572278068.db2.gz LPNCSRMDWUOVMC-UHFFFAOYSA-N -1 1 505.640 5.291 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c1)CCC2 ZINC000408617350 572279375 /nfs/dbraw/zinc/27/93/75/572279375.db2.gz GHISKJBFHQFLMZ-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM CCOc1c(Br)cc(Br)cc1C=C(Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(=O)[O-] ZINC000408632253 572288635 /nfs/dbraw/zinc/28/86/35/572288635.db2.gz PJJZJRJRMNLUNQ-APSNUPSMSA-N -1 1 589.693 6.275 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)C(=O)[O-])n1 ZINC000408630787 572286596 /nfs/dbraw/zinc/28/65/96/572286596.db2.gz CPSKTKKGYIYMQN-GTWSWNCMSA-N -1 1 619.146 8.785 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408631096 572286964 /nfs/dbraw/zinc/28/69/64/572286964.db2.gz BWYIXGFNYKZECL-MYKKPKGFSA-N -1 1 598.475 6.057 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)[O-])n1 ZINC000408631196 572287091 /nfs/dbraw/zinc/28/70/91/572287091.db2.gz FYTQCJVCYUDCGQ-CFRMEGHHSA-N -1 1 560.035 5.945 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(I)o2)C(=O)[O-])n1 ZINC000408631511 572287602 /nfs/dbraw/zinc/28/76/02/572287602.db2.gz JWTKHOLSWPJXSS-SDQBBNPISA-N -1 1 582.601 5.312 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)n(Cc3ccc(F)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000408631667 572287906 /nfs/dbraw/zinc/28/79/06/572287906.db2.gz LDEATWCMPGVNLF-QFEZKATASA-N -1 1 549.027 6.802 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3ccccc3F)C(=O)[O-])n2)c1 ZINC000408631943 572288159 /nfs/dbraw/zinc/28/81/59/572288159.db2.gz HIVMOVUIJXIAIH-QRVIBDJDSA-N -1 1 507.543 5.425 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)[O-])n1 ZINC000408632176 572288450 /nfs/dbraw/zinc/28/84/50/572288450.db2.gz OKNJBLPSSHVXPA-FMCGGJTJSA-N -1 1 558.443 6.593 40 0 KKABMM O=C([O-])C(=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632408 572288740 /nfs/dbraw/zinc/28/87/40/572288740.db2.gz FPWHSNPFPOFNOH-FBHDLOMBSA-N -1 1 567.281 7.882 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3ccc(F)cc3)C(=O)[O-])n2)c1 ZINC000408632414 572288781 /nfs/dbraw/zinc/28/87/81/572288781.db2.gz IQOZNQSRSFMSOD-QRVIBDJDSA-N -1 1 507.543 5.425 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408632576 572288949 /nfs/dbraw/zinc/28/89/49/572288949.db2.gz JRNHEZPTKAJBLJ-ROTLSHHCSA-N -1 1 551.596 5.824 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)n(Cc4ccccc4Cl)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408632593 572288979 /nfs/dbraw/zinc/28/89/79/572288979.db2.gz JTFCCFAFYDOHHM-YSMPRRRNSA-N -1 1 561.063 6.672 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccccc4F)c(Br)c3)C(=O)[O-])n2)c1 ZINC000408632847 572289392 /nfs/dbraw/zinc/28/93/92/572289392.db2.gz KSIFJWWYRBHAAY-RMORIDSASA-N -1 1 586.439 6.187 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000408632997 572289594 /nfs/dbraw/zinc/28/95/94/572289594.db2.gz IRPMJAXHYMLXOU-FBHDLOMBSA-N -1 1 688.758 7.842 40 0 KKABMM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Br)cc(Cl)c2O)C(=O)[O-])n[nH]1 ZINC000408633158 572289839 /nfs/dbraw/zinc/28/98/39/572289839.db2.gz WPNSBLFSUHGDLY-RZNTYIFUSA-N -1 1 517.188 5.473 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2F)C(=O)[O-])n1 ZINC000408633171 572289825 /nfs/dbraw/zinc/28/98/25/572289825.db2.gz WTPCIMCTKVEAPY-NKVSQWTQSA-N -1 1 763.754 7.279 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)n(Cc4ccc(F)cc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408633568 572290284 /nfs/dbraw/zinc/29/02/84/572290284.db2.gz NXGLEALJMRXNMW-YSMPRRRNSA-N -1 1 544.608 6.157 40 0 KKABMM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)c(O)c(I)c3)C(=O)[O-])o2)c1 ZINC000408634001 572290877 /nfs/dbraw/zinc/29/08/77/572290877.db2.gz QVTLYRBRWLMPDB-WCSRMQSCSA-N -1 1 605.204 5.044 40 0 KKABMM CCCCOc1ccc2ccccc2c1C=C(Sc1nc(-c2cc(OC)cc(OC)c2)n[nH]1)C(=O)[O-] ZINC000408634141 572291109 /nfs/dbraw/zinc/29/11/09/572291109.db2.gz RLHFUQSKMBWUJC-JLPGSUDCSA-N -1 1 505.596 6.039 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)n(Cc4ccc(Br)cc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408634528 572291606 /nfs/dbraw/zinc/29/16/06/572291606.db2.gz VTPRCOZHICJPRJ-YSMPRRRNSA-N -1 1 605.514 6.781 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)[O-])n2)c1 ZINC000408634892 572291936 /nfs/dbraw/zinc/29/19/36/572291936.db2.gz XRXKEBQKINSXPK-NHDPSOOVSA-N -1 1 511.644 6.007 40 0 KKABMM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635470 572292555 /nfs/dbraw/zinc/29/25/55/572292555.db2.gz BTGLPCWIJPPOTH-UHFFFAOYSA-N -1 1 515.802 5.474 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCc1ccc(Cl)cc1Cl ZINC000408635877 572292795 /nfs/dbraw/zinc/29/27/95/572292795.db2.gz ISXBVLIUJXSLTL-UHFFFAOYSA-N -1 1 534.248 5.796 40 0 KKABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1Cl ZINC000408636278 572293140 /nfs/dbraw/zinc/29/31/40/572293140.db2.gz NHXAYGSZWISGBW-UHFFFAOYSA-N -1 1 515.802 5.474 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N2CCOCC2)cc1 ZINC000108423185 1069718574 /nfs/dbraw/zinc/71/85/74/1069718574.db2.gz YHMCWQZIHSAPRP-UHFFFAOYSA-N -1 1 521.621 5.103 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Br)c1OCC ZINC000108423413 1069720868 /nfs/dbraw/zinc/72/08/68/1069720868.db2.gz GDIPMXHODVYRMS-UHFFFAOYSA-N -1 1 603.517 6.826 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Cl)c1OC ZINC000108423423 1069721147 /nfs/dbraw/zinc/72/11/47/1069721147.db2.gz GYLGLTJONWVDNQ-UHFFFAOYSA-N -1 1 545.039 6.327 40 0 KKABMM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Br)cc(I)c2[O-])SC1Nc1ccccc1 ZINC000408809425 1069742246 /nfs/dbraw/zinc/74/22/46/1069742246.db2.gz NZYXQLLSILJKMQ-UQKMFHHJSA-N -1 1 598.324 6.813 40 0 KKABMM CCC(=O)O[C@H](O[C@@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])[P@@H](=O)CCCCc1ccccc1)C(C)C ZINC000604971873 1069785386 /nfs/dbraw/zinc/78/53/86/1069785386.db2.gz NAMZDMCNNVABOB-LPKQAODOSA-N -1 1 563.672 5.729 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000408925104 1070236587 /nfs/dbraw/zinc/23/65/87/1070236587.db2.gz MBYBHAHKXIWPGO-UHFFFAOYSA-N -1 1 525.357 5.614 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000408925499 1070237295 /nfs/dbraw/zinc/23/72/95/1070237295.db2.gz UGEPZMXQROYPLR-UHFFFAOYSA-N -1 1 630.542 5.447 40 0 KKABMM O=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408927071 1070237370 /nfs/dbraw/zinc/23/73/70/1070237370.db2.gz SKNHJHBXXWDMNP-UHFFFAOYSA-N -1 1 525.877 5.775 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000408926169 1070238355 /nfs/dbraw/zinc/23/83/55/1070238355.db2.gz PRXHEBYUAUCEKP-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000409037598 1070440315 /nfs/dbraw/zinc/44/03/15/1070440315.db2.gz SYEDQLTUIYVZOH-IOKRJLGCSA-N -1 1 673.356 5.204 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000409184688 1070604012 /nfs/dbraw/zinc/60/40/12/1070604012.db2.gz ZQKGQFXRZZQCDC-LFVJCYFKSA-N -1 1 513.402 6.567 40 0 KKABMM COC(=O)c1ccccc1-c1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)o1 ZINC000409372598 1070895931 /nfs/dbraw/zinc/89/59/31/1070895931.db2.gz NBRDJZFXCKNBAZ-UHFFFAOYSA-N -1 1 560.610 6.722 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409406347 1070924746 /nfs/dbraw/zinc/92/47/46/1070924746.db2.gz BWCXEVQMOFKEAX-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C)c1 ZINC000409407829 1070925529 /nfs/dbraw/zinc/92/55/29/1070925529.db2.gz IHTSSABMDHJAPJ-UHFFFAOYSA-N -1 1 500.620 6.244 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000409408000 1070925682 /nfs/dbraw/zinc/92/56/82/1070925682.db2.gz BKAKTTBILSIMBY-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM CC(C)COc1ccc(CCc2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncc2C(=O)[O-])cc1 ZINC000585267645 1071006122 /nfs/dbraw/zinc/00/61/22/1071006122.db2.gz RRUYWPHEYHUGAF-UHFFFAOYSA-N -1 1 550.703 5.906 40 0 KKABMM O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408926074 1071074697 /nfs/dbraw/zinc/07/46/97/1071074697.db2.gz WZMKGJFBABXNFE-UHFFFAOYSA-N -1 1 624.062 5.994 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408924331 1071082840 /nfs/dbraw/zinc/08/28/40/1071082840.db2.gz GWJPMRASCFHQGZ-UHFFFAOYSA-N -1 1 652.116 6.556 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408924281 1071084603 /nfs/dbraw/zinc/08/46/03/1071084603.db2.gz FUCTUDNUCKNCLP-UHFFFAOYSA-N -1 1 590.510 5.628 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000408923701 1071086445 /nfs/dbraw/zinc/08/64/45/1071086445.db2.gz KIGUPHWJVPQRTR-UHFFFAOYSA-N -1 1 637.780 5.572 40 0 KKABMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408923467 1071087037 /nfs/dbraw/zinc/08/70/37/1071087037.db2.gz YBBSHVDXQJHIOH-CYBMUJFWSA-N -1 1 549.423 6.932 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408922819 1071090130 /nfs/dbraw/zinc/09/01/30/1071090130.db2.gz HHAAIAKMPFTEPH-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3Br)cc2)c1 ZINC000408920788 1071098024 /nfs/dbraw/zinc/09/80/24/1071098024.db2.gz MXYMAHQZWPEDFR-UHFFFAOYSA-N -1 1 519.486 5.739 40 0 KKABMM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000408920619 1071103667 /nfs/dbraw/zinc/10/36/67/1071103667.db2.gz KLIPVSOZKIXPTG-UHFFFAOYSA-N -1 1 677.804 7.297 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(Br)cc2)cc1 ZINC000408920448 1071104956 /nfs/dbraw/zinc/10/49/56/1071104956.db2.gz HWXDHUHFOJCTKN-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(C)cc2)cc1 ZINC000408927689 1071192873 /nfs/dbraw/zinc/19/28/73/1071192873.db2.gz ZPAKILGCPVYHHV-UHFFFAOYSA-N -1 1 628.172 5.990 40 0 KKABMM COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n21 ZINC000408946040 1071274799 /nfs/dbraw/zinc/27/47/99/1071274799.db2.gz ORARPHOBYRCOCD-YMAYPHAPSA-N -1 1 748.231 5.031 40 0 KKABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)CC2)cc1 ZINC000408681759 1071373654 /nfs/dbraw/zinc/37/36/54/1071373654.db2.gz SIIHMRNMASUPLX-UHFFFAOYSA-N -1 1 595.768 5.402 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000408681618 1071374126 /nfs/dbraw/zinc/37/41/26/1071374126.db2.gz YVILFFWDDXFPPN-UHFFFAOYSA-N -1 1 616.976 5.628 40 0 KKABMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C ZINC000408696066 1071381541 /nfs/dbraw/zinc/38/15/41/1071381541.db2.gz ZKJNLAXKCQMPDZ-KRWDZBQOSA-N -1 1 503.418 5.273 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000408695925 1071382331 /nfs/dbraw/zinc/38/23/31/1071382331.db2.gz VAYOEDBMGOYVGA-UHFFFAOYSA-N -1 1 604.072 5.653 40 0 KKABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)CC2)cc1 ZINC000408694919 1071386265 /nfs/dbraw/zinc/38/62/65/1071386265.db2.gz JUKLJBGEABJPDC-UHFFFAOYSA-N -1 1 648.150 5.921 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000408694882 1071386415 /nfs/dbraw/zinc/38/64/15/1071386415.db2.gz IZEKJUNNHWSGRY-UHFFFAOYSA-N -1 1 600.521 5.114 40 0 KKABMM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408694766 1071387092 /nfs/dbraw/zinc/38/70/92/1071387092.db2.gz MMTNHONNEWXGPO-NRFANRHFSA-N -1 1 547.382 6.609 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C(C)C ZINC000408694604 1071387607 /nfs/dbraw/zinc/38/76/07/1071387607.db2.gz KOIYITSEFZZEQD-UHFFFAOYSA-N -1 1 510.637 5.573 40 0 KKABMM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408694226 1071388425 /nfs/dbraw/zinc/38/84/25/1071388425.db2.gz GKOFHRTYBDMATD-AWEZNQCLSA-N -1 1 528.936 5.574 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408693386 1071391772 /nfs/dbraw/zinc/39/17/72/1071391772.db2.gz RMRPIBFKJKQXMM-UHFFFAOYSA-N -1 1 618.055 5.205 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000408694043 1071389650 /nfs/dbraw/zinc/38/96/50/1071389650.db2.gz ABNQJEOOPBBGAC-UHFFFAOYSA-N -1 1 616.083 5.340 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 ZINC000408704947 1071437046 /nfs/dbraw/zinc/43/70/46/1071437046.db2.gz WAYCBLIGUIQSHY-SSEXGKCCSA-N -1 1 626.587 7.129 40 0 KKABMM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408705466 1071434642 /nfs/dbraw/zinc/43/46/42/1071434642.db2.gz GMVPUQXYENHART-UHFFFAOYSA-N -1 1 512.937 5.957 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1Cl ZINC000408705407 1071434825 /nfs/dbraw/zinc/43/48/25/1071434825.db2.gz DZRMHBLGCFZZFJ-SFHVURJKSA-N -1 1 501.048 6.153 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408703149 1071445135 /nfs/dbraw/zinc/44/51/35/1071445135.db2.gz NVLBSKIZNADCLU-UHFFFAOYSA-N -1 1 593.727 5.322 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704203 1071440608 /nfs/dbraw/zinc/44/06/08/1071440608.db2.gz KXJUKZYDCDBASW-GDLZYMKVSA-N -1 1 612.560 6.821 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)cc2)cc1Cl ZINC000408700855 1071453859 /nfs/dbraw/zinc/45/38/59/1071453859.db2.gz NAIOYJUJMOJLBM-UHFFFAOYSA-N -1 1 596.558 5.776 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408700483 1071454561 /nfs/dbraw/zinc/45/45/61/1071454561.db2.gz GQVFZWCWHWMWGI-UHFFFAOYSA-N -1 1 646.109 5.841 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715049 1071472571 /nfs/dbraw/zinc/47/25/71/1071472571.db2.gz YYMXYDISSNYWNF-UHFFFAOYSA-N -1 1 573.762 5.191 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714781 1071472715 /nfs/dbraw/zinc/47/27/15/1071472715.db2.gz OCJPDUWLDIQQSH-UHFFFAOYSA-N -1 1 594.180 5.536 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714879 1071473436 /nfs/dbraw/zinc/47/34/36/1071473436.db2.gz RHWMJHJTPOUCAG-UHFFFAOYSA-N -1 1 634.123 5.918 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714853 1071473594 /nfs/dbraw/zinc/47/35/94/1071473594.db2.gz QSBMNFNZCUPBBO-UHFFFAOYSA-N -1 1 662.177 6.699 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714740 1071474497 /nfs/dbraw/zinc/47/44/97/1071474497.db2.gz MQIFQVMQFSFWIT-UHFFFAOYSA-N -1 1 609.795 6.035 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408712301 1071483486 /nfs/dbraw/zinc/48/34/86/1071483486.db2.gz JNYFUPTZGLLKFD-UHFFFAOYSA-N -1 1 602.109 5.807 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408712349 1071484253 /nfs/dbraw/zinc/48/42/53/1071484253.db2.gz PUHDHNUYPJZPQA-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408712362 1071484848 /nfs/dbraw/zinc/48/48/48/1071484848.db2.gz QZUQHNSCXIJNMS-QGZVFWFLSA-N -1 1 570.520 5.204 40 0 KKABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408712156 1071486427 /nfs/dbraw/zinc/48/64/27/1071486427.db2.gz IHOLBQNBDXSOHG-UHFFFAOYSA-N -1 1 638.517 6.306 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2C)cc1 ZINC000408711571 1071491759 /nfs/dbraw/zinc/49/17/59/1071491759.db2.gz ZIUHVHOBGSMUPI-UHFFFAOYSA-N -1 1 553.637 5.296 40 0 KKABMM Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408712205 1071487801 /nfs/dbraw/zinc/48/78/01/1071487801.db2.gz RMYAWIDGQANAOV-UHFFFAOYSA-N -1 1 561.991 5.092 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cccc(Cl)c4)S(C)(=O)=O)cc3)cc2)c1 ZINC000408712237 1071488743 /nfs/dbraw/zinc/48/87/43/1071488743.db2.gz ZGNMKHUDXLNSMY-UHFFFAOYSA-N -1 1 598.146 5.976 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3C)cc2)cc1 ZINC000408712293 1071489569 /nfs/dbraw/zinc/48/95/69/1071489569.db2.gz IAXJLAJIBUBZMZ-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)cc2)cc1Cl ZINC000408711424 1071491646 /nfs/dbraw/zinc/49/16/46/1071491646.db2.gz WANGLOOTGXFHQH-UHFFFAOYSA-N -1 1 602.109 5.807 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000408711286 1071495503 /nfs/dbraw/zinc/49/55/03/1071495503.db2.gz DSHXRTNQYOVVLM-UHFFFAOYSA-N -1 1 573.671 5.038 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3C)cc2)c1 ZINC000408711275 1071495522 /nfs/dbraw/zinc/49/55/22/1071495522.db2.gz CGCSANVKNJSWQP-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000408711332 1071497155 /nfs/dbraw/zinc/49/71/55/1071497155.db2.gz JKCLXHFGOWYODK-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000408711371 1071498082 /nfs/dbraw/zinc/49/80/82/1071498082.db2.gz OPHRDANZQJFYBM-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1)c1cccc(Cl)c1 ZINC000408711365 1071498112 /nfs/dbraw/zinc/49/81/12/1071498112.db2.gz ODGWXGPJRDZCOZ-UHFFFAOYSA-N -1 1 638.089 6.378 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408711378 1071498889 /nfs/dbraw/zinc/49/88/89/1071498889.db2.gz PTIFMDFWPGNSJH-UHFFFAOYSA-N -1 1 622.527 6.152 40 0 KKABMM Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000408711267 1071502691 /nfs/dbraw/zinc/50/26/91/1071502691.db2.gz AQBHSJDVGJIIND-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408989848 1071593015 /nfs/dbraw/zinc/59/30/15/1071593015.db2.gz MICIFMCHEPBHTK-UHFFFAOYSA-N -1 1 529.489 8.007 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409061163 1072030965 /nfs/dbraw/zinc/03/09/65/1072030965.db2.gz XMJQOWWUWKDZSS-QTQKINJDSA-N -1 1 733.422 5.813 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409096206 1072235270 /nfs/dbraw/zinc/23/52/70/1072235270.db2.gz KDCCTGKPBVUZGA-BLJGQIRFSA-N -1 1 678.565 5.324 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409095319 1072240586 /nfs/dbraw/zinc/24/05/86/1072240586.db2.gz BVDYOIBPEOBJAK-HCSHXEOKSA-N -1 1 721.655 6.051 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000409106245 1072344324 /nfs/dbraw/zinc/34/43/24/1072344324.db2.gz NDDVMFPQPHVTEU-MTIYOZEWSA-N -1 1 693.576 5.385 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409105412 1072349935 /nfs/dbraw/zinc/34/99/35/1072349935.db2.gz NHIMNYBSGLZSNS-CEMPLAKHSA-N -1 1 666.604 5.246 40 0 KKABMM COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n21 ZINC000409102957 1072363712 /nfs/dbraw/zinc/36/37/12/1072363712.db2.gz BYQXUCBJSZQSGO-WNBZBHRJSA-N -1 1 692.013 5.160 40 0 KKABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000409330723 1072375833 /nfs/dbraw/zinc/37/58/33/1072375833.db2.gz LPQMBQNLOLRHRE-UHFFFAOYSA-N -1 1 556.065 5.218 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000409328527 1072392821 /nfs/dbraw/zinc/39/28/21/1072392821.db2.gz XAEWFMOSHXXUNN-UHFFFAOYSA-N -1 1 638.473 5.086 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000409328381 1072393693 /nfs/dbraw/zinc/39/36/93/1072393693.db2.gz UAJQIHNWRZJPFZ-UHFFFAOYSA-N -1 1 549.674 5.182 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409107741 1072412414 /nfs/dbraw/zinc/41/24/14/1072412414.db2.gz QGTCUTRYDXAJON-VTAYSDJUSA-N -1 1 735.638 5.264 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409346896 1072412436 /nfs/dbraw/zinc/41/24/36/1072412436.db2.gz OQCGPNCNRNJHTE-UHFFFAOYSA-N -1 1 648.532 5.232 40 0 KKABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000409346509 1072416084 /nfs/dbraw/zinc/41/60/84/1072416084.db2.gz LEBMLTCYBTUBQK-UHFFFAOYSA-N -1 1 600.516 5.327 40 0 KKABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000409351652 1072532740 /nfs/dbraw/zinc/53/27/40/1072532740.db2.gz VIQCNCIPVNIYHP-UHFFFAOYSA-N -1 1 590.510 5.872 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409348553 1072556939 /nfs/dbraw/zinc/55/69/39/1072556939.db2.gz OOWPXBPULITYPH-UHFFFAOYSA-N -1 1 637.633 5.488 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409373970 1072639986 /nfs/dbraw/zinc/63/99/86/1072639986.db2.gz WIVYGJCIEUVJKC-UHFFFAOYSA-N -1 1 715.648 9.568 40 0 KKABMM Cc1ccc(COc2cccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)c2)cc1 ZINC000409373326 1072642292 /nfs/dbraw/zinc/64/22/92/1072642292.db2.gz UILUNUYJZDQCPW-UHFFFAOYSA-N -1 1 556.666 7.562 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000409371192 1072651307 /nfs/dbraw/zinc/65/13/07/1072651307.db2.gz GXXPPYHTRJWPGH-UHFFFAOYSA-N -1 1 700.033 9.069 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 ZINC000409370779 1072651784 /nfs/dbraw/zinc/65/17/84/1072651784.db2.gz DTTUJHFSZUUQSX-UHFFFAOYSA-N -1 1 700.431 8.779 40 0 KKABMM CCOC(=O)COc1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369887 1072656429 /nfs/dbraw/zinc/65/64/29/1072656429.db2.gz GZFGLCZLXZXWGH-UHFFFAOYSA-N -1 1 538.604 5.617 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000409369470 1072658011 /nfs/dbraw/zinc/65/80/11/1072658011.db2.gz ONECVMPLOCBWIO-UHFFFAOYSA-N -1 1 611.529 8.561 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc21 ZINC000409368762 1072662645 /nfs/dbraw/zinc/66/26/45/1072662645.db2.gz LGNXRCKISHJJGM-UHFFFAOYSA-N -1 1 762.648 9.411 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409368778 1072662678 /nfs/dbraw/zinc/66/26/78/1072662678.db2.gz LYPLZVDHCJAFFW-UHFFFAOYSA-N -1 1 744.484 9.178 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409368201 1072666134 /nfs/dbraw/zinc/66/61/34/1072666134.db2.gz PGFNEPBSJPPYSP-UHFFFAOYSA-N -1 1 767.451 9.174 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2OCc2cccc3ccccc32)cc1 ZINC000409367846 1072667689 /nfs/dbraw/zinc/66/76/89/1072667689.db2.gz IATCPFHTXHEXQP-UHFFFAOYSA-N -1 1 592.699 8.407 40 0 KKABMM COc1cc(OC)c(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1Cl ZINC000409367815 1072668734 /nfs/dbraw/zinc/66/87/34/1072668734.db2.gz HDQKLMRJGONFMC-UHFFFAOYSA-N -1 1 531.012 6.346 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)cc2)c1 ZINC000409176136 1072713451 /nfs/dbraw/zinc/71/34/51/1072713451.db2.gz IGKXKGXKDLDYHS-UHFFFAOYSA-N -1 1 563.701 5.323 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1)S(C)(=O)=O ZINC000409174202 1072723829 /nfs/dbraw/zinc/72/38/29/1072723829.db2.gz TVNFKURLBIYUMG-UHFFFAOYSA-N -1 1 652.116 6.687 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000409173767 1072726277 /nfs/dbraw/zinc/72/62/77/1072726277.db2.gz RQPAOBRGVOOOBR-UHFFFAOYSA-N -1 1 675.570 5.543 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000409173014 1072730288 /nfs/dbraw/zinc/73/02/88/1072730288.db2.gz KLABTNVWACOLAI-UHFFFAOYSA-N -1 1 529.898 6.628 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409171817 1072737558 /nfs/dbraw/zinc/73/75/58/1072737558.db2.gz BCVXBSDJELQLTM-SSEXGKCCSA-N -1 1 625.694 6.575 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409169773 1072748434 /nfs/dbraw/zinc/74/84/34/1072748434.db2.gz ZQSTYVLZVPHQQA-UHFFFAOYSA-N -1 1 690.196 5.318 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)cc2)cc1 ZINC000409168877 1072752382 /nfs/dbraw/zinc/75/23/82/1072752382.db2.gz UTZRFHHIJMLXPI-UHFFFAOYSA-N -1 1 549.674 5.182 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(F)cc2)cc1 ZINC000409406284 1072758888 /nfs/dbraw/zinc/75/88/88/1072758888.db2.gz BHGFSTQZSWZEAW-UHFFFAOYSA-N -1 1 597.690 5.086 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1)S(C)(=O)=O ZINC000409183853 1072781226 /nfs/dbraw/zinc/78/12/26/1072781226.db2.gz VQYUOSUOENAJKE-UHFFFAOYSA-N -1 1 617.671 6.033 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000409412569 1072787021 /nfs/dbraw/zinc/78/70/21/1072787021.db2.gz XTAJLIBOCIEZBB-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2C)c1C ZINC000409412649 1072787160 /nfs/dbraw/zinc/78/71/60/1072787160.db2.gz ZABACRYJTTWBSG-UHFFFAOYSA-N -1 1 521.038 7.111 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409182580 1072789019 /nfs/dbraw/zinc/78/90/19/1072789019.db2.gz MZVAAVQLVVGRDT-UHFFFAOYSA-N -1 1 690.196 5.318 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(F)cccc3Cl)ccc2C)c1 ZINC000409412036 1072791697 /nfs/dbraw/zinc/79/16/97/1072791697.db2.gz QIEIXEMQHKLNKJ-UHFFFAOYSA-N -1 1 521.079 5.868 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)c1C ZINC000409411862 1072792243 /nfs/dbraw/zinc/79/22/43/1072792243.db2.gz MJQPVCQAXNJSRS-UHFFFAOYSA-N -1 1 519.667 5.727 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409411906 1072792583 /nfs/dbraw/zinc/79/25/83/1072792583.db2.gz NGXGOECZLPJLTL-UHFFFAOYSA-N -1 1 696.213 7.032 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)c(C)c1 ZINC000409411690 1072793652 /nfs/dbraw/zinc/79/36/52/1072793652.db2.gz ZICIMEWJOOWUNS-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)cc1C ZINC000409411491 1072794334 /nfs/dbraw/zinc/79/43/34/1072794334.db2.gz XPPDWVVKXCUADV-UHFFFAOYSA-N -1 1 652.116 7.138 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409411589 1072794937 /nfs/dbraw/zinc/79/49/37/1072794937.db2.gz JWQQHMHJYAYMJK-UHFFFAOYSA-N -1 1 503.454 5.317 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000409411622 1072795690 /nfs/dbraw/zinc/79/56/90/1072795690.db2.gz YBQIRAKGIBQLOE-UHFFFAOYSA-N -1 1 597.329 5.506 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)ccc2C)c1 ZINC000409411288 1072797129 /nfs/dbraw/zinc/79/71/29/1072797129.db2.gz VYCNIQFICWMQMY-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c1)CCCC2 ZINC000409410861 1072801198 /nfs/dbraw/zinc/80/11/98/1072801198.db2.gz RHGFBXZZAYBTED-UHFFFAOYSA-N -1 1 512.653 5.474 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(F)cccc3Cl)cc2)cc1Cl ZINC000409410523 1072803594 /nfs/dbraw/zinc/80/35/94/1072803594.db2.gz NPVRPFBCSIVLCA-UHFFFAOYSA-N -1 1 513.443 6.114 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2C)c1 ZINC000409410604 1072803920 /nfs/dbraw/zinc/80/39/20/1072803920.db2.gz YGRIJFMBLWANSU-UHFFFAOYSA-N -1 1 527.646 5.329 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)cc2)c1 ZINC000409410451 1072805111 /nfs/dbraw/zinc/80/51/11/1072805111.db2.gz XFSVZBJWJGMKCZ-UHFFFAOYSA-N -1 1 590.938 5.469 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)cc2)cc1 ZINC000409179954 1072806647 /nfs/dbraw/zinc/80/66/47/1072806647.db2.gz QWQISONBTALWRY-UHFFFAOYSA-N -1 1 584.119 5.835 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)cc2)cc1Cl ZINC000409409853 1072808877 /nfs/dbraw/zinc/80/88/77/1072808877.db2.gz JNIQOGPWUAXPRZ-UHFFFAOYSA-N -1 1 611.356 5.814 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(OC)c1OC ZINC000409409639 1072809470 /nfs/dbraw/zinc/80/94/70/1072809470.db2.gz PPUFNMLVCAENOK-VZUCSPMQSA-N -1 1 537.421 5.472 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)cc1Cl ZINC000409409203 1072811524 /nfs/dbraw/zinc/81/15/24/1072811524.db2.gz FYXSWYQXRUTRHF-MUUNZHRXSA-N -1 1 582.103 6.069 40 0 KKABMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409409253 1072812180 /nfs/dbraw/zinc/81/21/80/1072812180.db2.gz GMKWPKMTRFDPJP-UHFFFAOYSA-N -1 1 525.877 5.775 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)c1 ZINC000409409124 1072812715 /nfs/dbraw/zinc/81/27/15/1072812715.db2.gz NGNXNAPQJSJPIQ-NDEPHWFRSA-N -1 1 547.658 5.415 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409408491 1072815295 /nfs/dbraw/zinc/81/52/95/1072815295.db2.gz DBBAOYQDPJFPRC-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)ccc2C)cc1C ZINC000409407487 1072820897 /nfs/dbraw/zinc/82/08/97/1072820897.db2.gz GFTWUFLYYVIVAX-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409250431 1073136461 /nfs/dbraw/zinc/13/64/61/1073136461.db2.gz LPNBKQDMLAGBAP-ZSOIEALJSA-N -1 1 682.128 5.596 40 0 KKABMM CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)c(Br)c(Br)c1OCc1ccccc1 ZINC000409251688 1073192251 /nfs/dbraw/zinc/19/22/51/1073192251.db2.gz BBKFMFWROBBTFW-UHFFFAOYSA-N -1 1 530.216 6.505 40 0 KKABMM O=C1c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2-c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000005344961 1073201692 /nfs/dbraw/zinc/20/16/92/1073201692.db2.gz TWJNEZMDFAPOFY-UHFFFAOYSA-N -1 1 626.556 6.537 40 0 KKABMM COc1cc(C=O)ccc1OCc1cccc(COc2ccc(-c3nc4ccccc4c(=O)[n-]3)cc2OC)c1 ZINC000409266477 1073202394 /nfs/dbraw/zinc/20/23/94/1073202394.db2.gz XCHGVFZHFFOZMP-UHFFFAOYSA-N -1 1 522.557 5.990 40 0 KKABMM Cc1c(C=O)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(I)cc1 ZINC000409258498 1073244756 /nfs/dbraw/zinc/24/47/56/1073244756.db2.gz XFWANCZZUIIOGH-UHFFFAOYSA-N -1 1 529.403 5.767 40 0 KKABMM O=C([O-])C(=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634994 195482714 /nfs/dbraw/zinc/48/27/14/195482714.db2.gz WFOBHFYEVSVPJC-QRVIBDJDSA-N -1 1 547.999 6.075 40 0 KKABMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2oc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3c2c1 ZINC000005942015 552514456 /nfs/dbraw/zinc/51/44/56/552514456.db2.gz QGFJKRCHMGWDPB-UHFFFAOYSA-N -1 1 614.545 7.225 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810544 553148505 /nfs/dbraw/zinc/14/85/05/553148505.db2.gz VQXNPDACLXXYCU-UHFFFAOYSA-N -1 1 508.185 6.492 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)cc3[O-])oc2c(C)c1 ZINC000008833341 553160322 /nfs/dbraw/zinc/16/03/22/553160322.db2.gz FBQXRTKJWDXHGL-XBXARRHUSA-N -1 1 512.418 6.650 40 0 KKABMM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc21 ZINC000008974110 553195740 /nfs/dbraw/zinc/19/57/40/553195740.db2.gz GOZONUIDGSBGJG-UHFFFAOYSA-N -1 1 516.413 6.415 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c(OC)c1OC ZINC000010127882 553330214 /nfs/dbraw/zinc/33/02/14/553330214.db2.gz LOHQHFGNUAFWFJ-VGOFMYFVSA-N -1 1 517.003 5.127 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000010314451 553332796 /nfs/dbraw/zinc/33/27/96/553332796.db2.gz VBBLGOYNKLVIAD-UHFFFAOYSA-N -1 1 513.619 5.021 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1SCc1ccccc1 ZINC000010334269 553334383 /nfs/dbraw/zinc/33/43/83/553334383.db2.gz HSHRZYWWGNIRKM-UHFFFAOYSA-N -1 1 509.052 6.685 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000010372335 553336020 /nfs/dbraw/zinc/33/60/20/553336020.db2.gz OSSVYFLGVZUKBT-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2C)cc1 ZINC000013679168 553483664 /nfs/dbraw/zinc/48/36/64/553483664.db2.gz BRUSDVJKUNTKIV-UHFFFAOYSA-N -1 1 517.573 5.085 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000014154248 553504205 /nfs/dbraw/zinc/50/42/05/553504205.db2.gz DMKZKSXTLOVSEJ-UHFFFAOYSA-N -1 1 513.443 6.114 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c1)CCCC2 ZINC000014155492 553505126 /nfs/dbraw/zinc/50/51/26/553505126.db2.gz WUKGRTRRZRHQJJ-UHFFFAOYSA-N -1 1 526.680 5.782 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2C)c1 ZINC000014155405 553505138 /nfs/dbraw/zinc/50/51/38/553505138.db2.gz ATJXXSHWSGVLAW-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c1)CCCC2 ZINC000014155731 553505332 /nfs/dbraw/zinc/50/53/32/553505332.db2.gz NIPLPQQYTNQFCR-UHFFFAOYSA-N -1 1 526.680 5.782 40 0 KKABMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000014396674 553514811 /nfs/dbraw/zinc/51/48/11/553514811.db2.gz OTPFHDRQWTXCRY-FQEVSTJZSA-N -1 1 502.636 6.344 40 0 KKABMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000014398983 553515060 /nfs/dbraw/zinc/51/50/60/553515060.db2.gz JNFPLTOWXZBSCT-QGZVFWFLSA-N -1 1 520.573 6.210 40 0 KKABMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000014398832 553515064 /nfs/dbraw/zinc/51/50/64/553515064.db2.gz BLBMJYSMZKHZHS-AWEZNQCLSA-N -1 1 509.809 5.309 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)cc2Cl ZINC000016807665 553583458 /nfs/dbraw/zinc/58/34/58/553583458.db2.gz QXZNMYQCUIXEPD-UHFFFAOYSA-N -1 1 516.978 5.718 40 0 KKABMM Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c2ccccc2)cc1 ZINC000020489767 553660014 /nfs/dbraw/zinc/66/00/14/553660014.db2.gz UNFZHJPXLKXXKQ-MHZLTWQESA-N -1 1 505.039 6.277 40 0 KKABMM Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020035069 553667417 /nfs/dbraw/zinc/66/74/17/553667417.db2.gz KHYHNWLTNDSGEQ-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000020495868 553667763 /nfs/dbraw/zinc/66/77/63/553667763.db2.gz AQAYNLIRKSEGKE-UHFFFAOYSA-N -1 1 507.033 5.197 40 0 KKABMM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020041746 553668884 /nfs/dbraw/zinc/66/88/84/553668884.db2.gz CSEVIPATIAWWAG-JOCHJYFZSA-N -1 1 517.445 5.663 40 0 KKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020050986 553671051 /nfs/dbraw/zinc/67/10/51/553671051.db2.gz AMKKOCGMNRJSCR-QFIPXVFZSA-N -1 1 507.439 6.207 40 0 KKABMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OC ZINC000020061040 553673960 /nfs/dbraw/zinc/67/39/60/553673960.db2.gz KUEHGPDLGOMFLW-UHFFFAOYSA-N -1 1 514.909 5.429 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000020061029 553674029 /nfs/dbraw/zinc/67/40/29/553674029.db2.gz RMEWZGXTESOREO-UHFFFAOYSA-N -1 1 509.052 6.685 40 0 KKABMM O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020061196 553674520 /nfs/dbraw/zinc/67/45/20/553674520.db2.gz PKQMUVFDFDKCNJ-UHFFFAOYSA-N -1 1 500.951 5.890 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](c3ccccc3)c3ccccc3C)c2)cc1 ZINC000020106493 553690034 /nfs/dbraw/zinc/69/00/34/553690034.db2.gz ZRRKRTAQOAHVPV-HHHXNRCGSA-N -1 1 505.039 6.277 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c(Cl)c2)cc1 ZINC000020110618 553693425 /nfs/dbraw/zinc/69/34/25/553693425.db2.gz RUFJYWITJNHVFQ-UHFFFAOYSA-N -1 1 507.011 6.281 40 0 KKABMM CCCCOC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000022521765 553744354 /nfs/dbraw/zinc/74/43/54/553744354.db2.gz OLAYFXGJLJKCCD-UHFFFAOYSA-N -1 1 501.004 5.658 40 0 KKABMM Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1C ZINC000022537550 553746910 /nfs/dbraw/zinc/74/69/10/553746910.db2.gz HRINQJILRQAKSN-GOSISDBHSA-N -1 1 521.466 5.976 40 0 KKABMM CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000097954835 553825689 /nfs/dbraw/zinc/82/56/89/553825689.db2.gz YEQKIUHBYOXGIP-CHQNGUEUSA-N -1 1 534.612 6.024 40 0 KKABMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000028066531 553837760 /nfs/dbraw/zinc/83/77/60/553837760.db2.gz FBWQXRUOQQVPQM-DNQXCXABSA-N -1 1 519.026 5.527 40 0 KKABMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@H]1C[C@H](Cc2ccccc2)CCN31 ZINC000097956957 553843335 /nfs/dbraw/zinc/84/33/35/553843335.db2.gz KGHXEFUYJKAMSZ-JCZAGFSOSA-N -1 1 544.655 5.192 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCc5ccccc54)cc3)cc2)c1 ZINC000030848168 553857407 /nfs/dbraw/zinc/85/74/07/553857407.db2.gz SFGDDFCQKMYISS-UHFFFAOYSA-N -1 1 525.674 6.309 40 0 KKABMM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000030860972 553859278 /nfs/dbraw/zinc/85/92/78/553859278.db2.gz WSUQZBRGCWCMBH-UHFFFAOYSA-N -1 1 515.871 6.320 40 0 KKABMM Cc1ccc([C@H](NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c2ccccc2)cc1 ZINC000030865915 553859840 /nfs/dbraw/zinc/85/98/40/553859840.db2.gz VRCOTJKFKSHFRM-HHHXNRCGSA-N -1 1 505.039 6.277 40 0 KKABMM Cc1ccc(C2=NN(c3nc(-c4ccc([N-]S(=O)(=O)c5ccc(C)cc5)cc4)cs3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000097966091 553907048 /nfs/dbraw/zinc/90/70/48/553907048.db2.gz KWKWOZMRGANEIF-HKBQPEDESA-N -1 1 599.181 8.237 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000100094904 554215603 /nfs/dbraw/zinc/21/56/03/554215603.db2.gz UPYSUBPCXHQDHL-UHFFFAOYSA-N -1 1 591.755 5.254 40 0 KKABMM Cc1ccc(C)c(C(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000036633840 554230119 /nfs/dbraw/zinc/23/01/19/554230119.db2.gz VJPYDPKQMAASON-RSXGOPAZSA-N -1 1 502.039 6.379 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)c2)cc1 ZINC000038754883 554276319 /nfs/dbraw/zinc/27/63/19/554276319.db2.gz RZYVQQLXKDQIDS-UHFFFAOYSA-N -1 1 526.658 6.577 40 0 KKABMM O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038755726 554276558 /nfs/dbraw/zinc/27/65/58/554276558.db2.gz WUHYKVXNIIPPFZ-UHFFFAOYSA-N -1 1 509.052 6.685 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1OC ZINC000044839937 554303889 /nfs/dbraw/zinc/30/38/89/554303889.db2.gz GHHLPMPYSPFBTN-GOSISDBHSA-N -1 1 500.642 5.241 40 0 KKABMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000044849649 554305178 /nfs/dbraw/zinc/30/51/78/554305178.db2.gz YINGVQMTPHXSKP-CQSZACIVSA-N -1 1 509.809 5.309 40 0 KKABMM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OCC ZINC000044850548 554305283 /nfs/dbraw/zinc/30/52/83/554305283.db2.gz HRSRQHHPTVCMOH-SFHVURJKSA-N -1 1 517.047 5.738 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OCc5ccccc5)cc4)cc3[O-])nc2c1 ZINC000059331535 554389286 /nfs/dbraw/zinc/38/92/86/554389286.db2.gz OJCYXZORDPUXGE-UHFFFAOYSA-N -1 1 523.614 6.469 40 0 KKABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)Nc1ccccc1N1CCCCC1 ZINC000059530798 554406695 /nfs/dbraw/zinc/40/66/95/554406695.db2.gz BZMQOZAVPRUKFU-UHFFFAOYSA-N -1 1 549.678 5.259 40 0 KKABMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059690916 554424992 /nfs/dbraw/zinc/42/49/92/554424992.db2.gz OJRSLIBWJOCRSY-WDYNHAJCSA-N -1 1 564.667 6.035 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000059691196 554425516 /nfs/dbraw/zinc/42/55/16/554425516.db2.gz NOASGPGUUUIPEX-DQEYMECFSA-N -1 1 561.063 5.695 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000059837213 554442571 /nfs/dbraw/zinc/44/25/71/554442571.db2.gz BLJYBYPBBDQOGA-UHFFFAOYSA-N -1 1 552.880 6.196 40 0 KKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)c1cccc(Br)c1 ZINC000059837208 554442591 /nfs/dbraw/zinc/44/25/91/554442591.db2.gz JBZFGQBNBGUVHT-OAHLLOKOSA-N -1 1 523.836 5.160 40 0 KKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1cccc(Br)c1 ZINC000059837262 554442607 /nfs/dbraw/zinc/44/26/07/554442607.db2.gz BSLTXDXDJBERLA-AWEZNQCLSA-N -1 1 558.281 5.813 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000059852701 554452404 /nfs/dbraw/zinc/45/24/04/554452404.db2.gz FHHFNGVYYLEVQA-UHFFFAOYSA-N -1 1 562.113 5.017 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2)cc1 ZINC000059853539 554454580 /nfs/dbraw/zinc/45/45/80/554454580.db2.gz RKUMWJUENTYBEX-UHFFFAOYSA-N -1 1 539.440 6.586 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000059857904 554455069 /nfs/dbraw/zinc/45/50/69/554455069.db2.gz RFKKSWXWELGNFG-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059858439 554455583 /nfs/dbraw/zinc/45/55/83/554455583.db2.gz VJBIXDBMRAONKO-UHFFFAOYSA-N -1 1 614.145 5.682 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000059881678 554457128 /nfs/dbraw/zinc/45/71/28/554457128.db2.gz BEMKVBWMWZNMSQ-UHFFFAOYSA-N -1 1 599.734 6.091 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059881759 554457209 /nfs/dbraw/zinc/45/72/09/554457209.db2.gz FHQKAMKFKVLJDK-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059881988 554457566 /nfs/dbraw/zinc/45/75/66/554457566.db2.gz KZFFXORTDMDBNU-UHFFFAOYSA-N -1 1 577.728 5.753 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(C)cc2C)cc1 ZINC000059882000 554457601 /nfs/dbraw/zinc/45/76/01/554457601.db2.gz WZOMMPLJUCWVBK-UHFFFAOYSA-N -1 1 591.755 5.864 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059881994 554457611 /nfs/dbraw/zinc/45/76/11/554457611.db2.gz YNFHLDKKGHAPFR-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882970 554459330 /nfs/dbraw/zinc/45/93/30/554459330.db2.gz KEOICGODZBMBBT-UHFFFAOYSA-N -1 1 567.664 5.077 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882880 554459347 /nfs/dbraw/zinc/45/93/47/554459347.db2.gz SKYFCYLVXSZGSZ-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccccc2)cc1 ZINC000059883367 554460243 /nfs/dbraw/zinc/46/02/43/554460243.db2.gz FUWFISNRZZPIFP-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000059883525 554460579 /nfs/dbraw/zinc/46/05/79/554460579.db2.gz MKQAYPWCCXNRMD-UHFFFAOYSA-N -1 1 574.055 5.114 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059883570 554460765 /nfs/dbraw/zinc/46/07/65/554460765.db2.gz PGYJQKNVKAIPNX-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000059883884 554461434 /nfs/dbraw/zinc/46/14/34/554461434.db2.gz UJLJTEMVCYLYJQ-UHFFFAOYSA-N -1 1 559.112 7.839 40 0 KKABMM O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000059884100 554461764 /nfs/dbraw/zinc/46/17/64/554461764.db2.gz IIMFMKYYXZGQAD-UHFFFAOYSA-N -1 1 525.877 5.775 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000059884570 554462736 /nfs/dbraw/zinc/46/27/36/554462736.db2.gz WMSYWXZXKQVAJJ-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000059884601 554462996 /nfs/dbraw/zinc/46/29/96/554462996.db2.gz FGVHYSBMZXSMMV-UHFFFAOYSA-N -1 1 525.877 6.024 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cccc(C)c2)cc1 ZINC000059885227 554464124 /nfs/dbraw/zinc/46/41/24/554464124.db2.gz ZQIRGLAHSYFOJC-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc2ccccc21 ZINC000059885419 554464342 /nfs/dbraw/zinc/46/43/42/554464342.db2.gz QKFMWXDVJNWWGB-UHFFFAOYSA-N -1 1 559.669 5.199 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059886190 554466424 /nfs/dbraw/zinc/46/64/24/554466424.db2.gz CIUNSHFLBUCLLX-UHFFFAOYSA-N -1 1 614.543 5.392 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059886281 554466414 /nfs/dbraw/zinc/46/64/14/554466414.db2.gz FNTFTDWJJWHIIV-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1 ZINC000059886342 554466729 /nfs/dbraw/zinc/46/67/29/554466729.db2.gz NZCTWNVODHKSTJ-UHFFFAOYSA-N -1 1 578.499 5.352 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059886560 554466914 /nfs/dbraw/zinc/46/69/14/554466914.db2.gz TWAGBKKZTCMULY-UHFFFAOYSA-N -1 1 567.664 5.077 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059886810 554467683 /nfs/dbraw/zinc/46/76/83/554467683.db2.gz ZCKNNCKGWRFLPU-UHFFFAOYSA-N -1 1 605.782 6.370 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C)cc2)cc1 ZINC000059887131 554467911 /nfs/dbraw/zinc/46/79/11/554467911.db2.gz GYAUDQOCMRASPN-UHFFFAOYSA-N -1 1 579.700 5.029 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059887352 554468632 /nfs/dbraw/zinc/46/86/32/554468632.db2.gz UTOHTQUSBGFHLK-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059887614 554469193 /nfs/dbraw/zinc/46/91/93/554469193.db2.gz LPCYRKRWICKSKB-UHFFFAOYSA-N -1 1 585.707 5.783 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059888546 554471250 /nfs/dbraw/zinc/47/12/50/554471250.db2.gz UVRQFAYINBVTQS-LJAQVGFWSA-N -1 1 622.566 6.276 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888469 554471291 /nfs/dbraw/zinc/47/12/91/554471291.db2.gz WENYZWRPJRSMNG-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccc(Cl)cc2)cc1 ZINC000059888679 554471557 /nfs/dbraw/zinc/47/15/57/554471557.db2.gz AOWNWQXVKMRJRF-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059888624 554471647 /nfs/dbraw/zinc/47/16/47/554471647.db2.gz ARYKKAUMBSEJMK-UHFFFAOYSA-N -1 1 625.772 6.752 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)c(Cl)c2)cc1 ZINC000059922824 554472634 /nfs/dbraw/zinc/47/26/34/554472634.db2.gz NJSXFFHHGYFIDW-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000059924597 554475518 /nfs/dbraw/zinc/47/55/18/554475518.db2.gz LAXXUSGXDPIFEB-UHFFFAOYSA-N -1 1 610.928 6.501 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000059924609 554475845 /nfs/dbraw/zinc/47/58/45/554475845.db2.gz TVWFIVOWHFNFLJ-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000060018007 554488795 /nfs/dbraw/zinc/48/87/95/554488795.db2.gz OGWUYXYQLKHHBF-UHFFFAOYSA-N -1 1 533.653 6.456 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(CSc4ccccc4)cc3C)c2)cc1 ZINC000060018193 554489153 /nfs/dbraw/zinc/48/91/53/554489153.db2.gz ZUCLDUFQVLEOAS-UHFFFAOYSA-N -1 1 537.106 7.302 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000060018494 554489717 /nfs/dbraw/zinc/48/97/17/554489717.db2.gz HNGDUHBWXNURLI-UHFFFAOYSA-N -1 1 563.701 5.209 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000060018423 554489697 /nfs/dbraw/zinc/48/96/97/554489697.db2.gz HHSNSGNYCULRRL-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3c(Cl)cccc3Cl)c2)cc1 ZINC000060028512 554493233 /nfs/dbraw/zinc/49/32/33/554493233.db2.gz HEYJWRSLFRRDQR-UHFFFAOYSA-N -1 1 543.925 6.419 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)cc1Cl ZINC000060028563 554493426 /nfs/dbraw/zinc/49/34/26/554493426.db2.gz WLOKBMYJBPEFGV-UHFFFAOYSA-N -1 1 532.065 6.264 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)ccc2Cl)c(C)c1 ZINC000060028629 554493956 /nfs/dbraw/zinc/49/39/56/554493956.db2.gz OMHXECIXKSBYME-UHFFFAOYSA-N -1 1 600.122 5.218 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1Cl ZINC000060028714 554494804 /nfs/dbraw/zinc/49/48/04/554494804.db2.gz PRMSZSIXSGFKIH-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000060028817 554495850 /nfs/dbraw/zinc/49/58/50/554495850.db2.gz SAMGCDWQVSQTCC-UHFFFAOYSA-N -1 1 610.928 6.501 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc1Cl)CCCC2 ZINC000060042827 554496989 /nfs/dbraw/zinc/49/69/89/554496989.db2.gz KIDZJCSOMTUNKV-UHFFFAOYSA-N -1 1 533.071 5.819 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2Cl)cc1 ZINC000060061098 554501889 /nfs/dbraw/zinc/50/18/89/554501889.db2.gz PQZVPENFSZKPOB-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM O=C(c1ccc(Cl)cc1Cl)C1[C@@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102811961 555075062 /nfs/dbraw/zinc/07/50/62/555075062.db2.gz LKLZRYIWPSGWBV-OHIQVNEGSA-N -1 1 518.400 5.008 40 0 KKABMM O=C(c1ccc(Cl)cc1Cl)C1[C@@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102811959 555075103 /nfs/dbraw/zinc/07/51/03/555075103.db2.gz LKLZRYIWPSGWBV-OEZPAIJMSA-N -1 1 518.400 5.008 40 0 KKABMM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=C([O-])C(=O)Nc1c(C)cc(Br)cc1C ZINC000102956912 555174130 /nfs/dbraw/zinc/17/41/30/555174130.db2.gz XTAHLTAHHMODKR-UHFFFAOYSA-N -1 1 613.537 7.131 40 0 KKABMM COc1cccc(C(=O)[C@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000103520577 555425662 /nfs/dbraw/zinc/42/56/62/555425662.db2.gz SGSXNADEYJDAMK-VGBJTSDXSA-N -1 1 530.580 5.534 40 0 KKABMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3c2c1 ZINC000103604532 555454564 /nfs/dbraw/zinc/45/45/64/555454564.db2.gz YRZSSWCTRPXIKA-UHFFFAOYSA-N -1 1 547.441 6.494 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)Nc4ccccc4C(F)(F)F)sc3c2)cc1 ZINC000103765908 555473198 /nfs/dbraw/zinc/47/31/98/555473198.db2.gz UYUWUOUPEOTSNM-UHFFFAOYSA-N -1 1 537.610 6.155 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3[O-])oc2c(C)c1 ZINC000105310447 571395943 /nfs/dbraw/zinc/39/59/43/571395943.db2.gz PMAQJPODOZLIRB-UHFFFAOYSA-N -1 1 562.445 6.967 40 0 KKABMM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c([O-])c1 ZINC000105310377 571396027 /nfs/dbraw/zinc/39/60/27/571396027.db2.gz LNVXOBWYJCDHPK-UHFFFAOYSA-N -1 1 591.281 6.169 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3[O-])oc2c(C)c1 ZINC000105310518 571396197 /nfs/dbraw/zinc/39/61/97/571396197.db2.gz HOBMHFBXGFWRAR-VMPITWQZSA-N -1 1 578.477 7.910 40 0 KKABMM C[C@@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000222837731 571404195 /nfs/dbraw/zinc/40/41/95/571404195.db2.gz RCABOQMLQGWCFN-CQSZACIVSA-N -1 1 570.292 5.913 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000105812114 571408959 /nfs/dbraw/zinc/40/89/59/571408959.db2.gz KUJHYLHIHDIPKG-LQWHRVPQSA-N -1 1 517.262 5.701 40 0 KKABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C ZINC000106269367 571411719 /nfs/dbraw/zinc/41/17/19/571411719.db2.gz YNEAHCOSZUDDAX-KRWDZBQOSA-N -1 1 604.072 5.570 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000107571591 571420355 /nfs/dbraw/zinc/42/03/55/571420355.db2.gz UDVAKQAZZZNSST-UHFFFAOYSA-N -1 1 586.091 5.227 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1 ZINC000107595120 571420418 /nfs/dbraw/zinc/42/04/18/571420418.db2.gz VWGWEQTZMDHPGM-UHFFFAOYSA-N -1 1 507.420 5.748 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000107623914 571420514 /nfs/dbraw/zinc/42/05/14/571420514.db2.gz HJJBRWUGIAWMEO-UHFFFAOYSA-N -1 1 612.173 6.154 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1Cl ZINC000107725448 571420901 /nfs/dbraw/zinc/42/09/01/571420901.db2.gz WQYJMMUCXZIQAU-UHFFFAOYSA-N -1 1 521.831 5.257 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc2C)c1 ZINC000107724944 571420946 /nfs/dbraw/zinc/42/09/46/571420946.db2.gz JQJHYOQPVPKIMC-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000107737535 571421008 /nfs/dbraw/zinc/42/10/08/571421008.db2.gz JFPWEEBCBMQFDU-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000107734974 571421048 /nfs/dbraw/zinc/42/10/48/571421048.db2.gz UBWMZFBQKUQEJY-UHFFFAOYSA-N -1 1 606.125 6.371 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000107775793 571421158 /nfs/dbraw/zinc/42/11/58/571421158.db2.gz CSNMGNMLTVENDJ-UHFFFAOYSA-N -1 1 627.744 6.422 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2C)c(C)c1 ZINC000107911819 571421688 /nfs/dbraw/zinc/42/16/88/571421688.db2.gz UTDYULUFLVSSHI-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000108276746 571423090 /nfs/dbraw/zinc/42/30/90/571423090.db2.gz UMGDUBYKLFVUFB-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4C)c3)cc2)c1 ZINC000108321090 571423271 /nfs/dbraw/zinc/42/32/71/571423271.db2.gz UMMICGNYZNITQA-UHFFFAOYSA-N -1 1 616.117 5.520 40 0 KKABMM CCC1(CC)C[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c2ccccc2O1 ZINC000223058524 571426869 /nfs/dbraw/zinc/42/68/69/571426869.db2.gz UEADBEMKEKULSF-DEOSSOPVSA-N -1 1 513.059 6.262 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c1 ZINC000109855067 571430215 /nfs/dbraw/zinc/43/02/15/571430215.db2.gz VHHRXLXUEVQKJK-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000110240883 571430832 /nfs/dbraw/zinc/43/08/32/571430832.db2.gz HVCPTFWSFHKXJL-UHFFFAOYSA-N -1 1 607.607 5.479 40 0 KKABMM CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000111505503 571433507 /nfs/dbraw/zinc/43/35/07/571433507.db2.gz IBHNKBLIOVMSPZ-NTUHNPAUSA-N -1 1 575.051 5.171 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(C)c(Cl)c5)o4)cc3[O-])nc2c1 ZINC000112242943 571435406 /nfs/dbraw/zinc/43/54/06/571435406.db2.gz UWZMXMXIESUIKE-UKTHLTGXSA-N -1 1 558.059 7.511 40 0 KKABMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000112256556 571437558 /nfs/dbraw/zinc/43/75/58/571437558.db2.gz PPDKKFLKHYOVEG-MRXNPFEDSA-N -1 1 555.018 6.863 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)cc1Cl ZINC000112257082 571437668 /nfs/dbraw/zinc/43/76/68/571437668.db2.gz NKLFRVMNEKURGS-UHFFFAOYSA-N -1 1 604.965 5.941 40 0 KKABMM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000112257017 571437702 /nfs/dbraw/zinc/43/77/02/571437702.db2.gz NGBVUEDLWXSBFY-UHFFFAOYSA-N -1 1 576.018 5.198 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1F)c1ccc(Cl)cc1Cl ZINC000113511145 571439386 /nfs/dbraw/zinc/43/93/86/571439386.db2.gz BVIXAUMNZAWLNH-UHFFFAOYSA-N -1 1 531.392 6.978 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000113619848 571440956 /nfs/dbraw/zinc/44/09/56/571440956.db2.gz YRJLQHHBZROBPF-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000113619842 571440959 /nfs/dbraw/zinc/44/09/59/571440959.db2.gz FTSNBXRGEKZBBE-UHFFFAOYSA-N -1 1 586.489 5.303 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)cc2)c1 ZINC000113640446 571442342 /nfs/dbraw/zinc/44/23/42/571442342.db2.gz RWXIUKHXYRKMHH-UHFFFAOYSA-N -1 1 610.585 5.592 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)cc1 ZINC000139717950 571453656 /nfs/dbraw/zinc/45/36/56/571453656.db2.gz MRQNGSWPLCXEJL-UHFFFAOYSA-N -1 1 540.685 6.885 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(I)cc3C)c2)cc1 ZINC000140092210 571455110 /nfs/dbraw/zinc/45/51/10/571455110.db2.gz AMMSKOGPUGSRAI-UHFFFAOYSA-N -1 1 540.810 5.615 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000140113263 571455237 /nfs/dbraw/zinc/45/52/37/571455237.db2.gz HYGQFXKEGHPCLO-UHFFFAOYSA-N -1 1 549.457 6.387 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c(Cl)c2)cc1 ZINC000140372928 571455785 /nfs/dbraw/zinc/45/57/85/571455785.db2.gz TZLZFZDYHPXAAM-UHFFFAOYSA-N -1 1 534.037 5.632 40 0 KKABMM COc1cc(C)c([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1C(C)C ZINC000223341186 571462909 /nfs/dbraw/zinc/46/29/09/571462909.db2.gz YIJCIVQYRGWGIV-LJQANCHMSA-N -1 1 515.075 6.381 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000150428752 571492301 /nfs/dbraw/zinc/49/23/01/571492301.db2.gz QNGKYVBYXONAMR-KRWDZBQOSA-N -1 1 650.528 5.994 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000150428936 571492439 /nfs/dbraw/zinc/49/24/39/571492439.db2.gz DAROKDAYGOWTQX-QGZVFWFLSA-N -1 1 651.421 6.282 40 0 KKABMM COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000150430791 571493275 /nfs/dbraw/zinc/49/32/75/571493275.db2.gz PAAOGTJBNLSKHF-YXDQGSNCSA-N -1 1 718.354 5.242 40 0 KKABMM COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000150430799 571493335 /nfs/dbraw/zinc/49/33/35/571493335.db2.gz PAAOGTJBNLSKHF-ITIZVALFSA-N -1 1 718.354 5.242 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)cc1Cl ZINC000150432419 571494002 /nfs/dbraw/zinc/49/40/02/571494002.db2.gz QHJWHXFWGZQRFJ-MHZLTWQESA-N -1 1 632.547 5.698 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2ccc(F)cc2)cc1 ZINC000150436149 571495983 /nfs/dbraw/zinc/49/59/83/571495983.db2.gz WUWXPNRVDLXYAQ-UHFFFAOYSA-N -1 1 632.135 5.821 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000150436174 571496085 /nfs/dbraw/zinc/49/60/85/571496085.db2.gz RWWAARJSSMARLF-UHFFFAOYSA-N -1 1 686.105 6.531 40 0 KKABMM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000150512284 571519934 /nfs/dbraw/zinc/51/99/34/571519934.db2.gz MWWOHZFUNMAJES-UHFFFAOYSA-N -1 1 706.640 6.906 40 0 KKABMM CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662136 571527674 /nfs/dbraw/zinc/52/76/74/571527674.db2.gz TVGNSDOGCLLGGR-AHCGWBIVSA-N -1 1 694.953 10.888 40 0 KKABMM CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662136 571527675 /nfs/dbraw/zinc/52/76/75/571527675.db2.gz TVGNSDOGCLLGGR-AHCGWBIVSA-N -1 1 694.953 10.888 40 0 KKABMM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662139 571527687 /nfs/dbraw/zinc/52/76/87/571527687.db2.gz TVGNSDOGCLLGGR-XFMONJRXSA-N -1 1 694.953 10.888 40 0 KKABMM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000150662139 571527688 /nfs/dbraw/zinc/52/76/88/571527688.db2.gz TVGNSDOGCLLGGR-XFMONJRXSA-N -1 1 694.953 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COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3Br)o2)cc1[N-]S(C)(=O)=O ZINC000225492351 571862411 /nfs/dbraw/zinc/86/24/11/571862411.db2.gz ZMSGCKDRHPTDCM-RPBOFIJWSA-N -1 1 617.522 5.800 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(Cl)ccc3C)o2)cc1[N-]S(C)(=O)=O ZINC000225492644 571862572 /nfs/dbraw/zinc/86/25/72/571862572.db2.gz CBGDPLAGOIABMX-FTJBHMTQSA-N -1 1 569.108 5.861 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225785243 572067634 /nfs/dbraw/zinc/06/76/34/572067634.db2.gz XWAHZDLNDPAQLF-UHFFFAOYSA-N -1 1 533.380 6.238 40 0 KKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)c2)cc1 ZINC000225790014 572068587 /nfs/dbraw/zinc/06/85/87/572068587.db2.gz RYNGVWFQPWAOGE-UHFFFAOYSA-N -1 1 606.169 7.115 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc2n1Cc1ccccc1Cl ZINC000225799175 572070549 /nfs/dbraw/zinc/07/05/49/572070549.db2.gz PIQRXEDFULOTSP-UHFFFAOYSA-N -1 1 533.380 6.238 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc2n1Cc1ccccc1Cl ZINC000225797032 572070597 /nfs/dbraw/zinc/07/05/97/572070597.db2.gz WLYYABLUMXXPQK-UHFFFAOYSA-N -1 1 509.834 5.328 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Br)c(Cl)c3)ccc2n1Cc1ccccc1Cl ZINC000225801081 572071169 /nfs/dbraw/zinc/07/11/69/572071169.db2.gz NXNGHNAIEROWOM-UHFFFAOYSA-N -1 1 544.279 5.981 40 0 KKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)c2)cc1 ZINC000225803621 572071512 /nfs/dbraw/zinc/07/15/12/572071512.db2.gz KVJRWPFJWKQKHE-UHFFFAOYSA-N -1 1 591.154 7.094 40 0 KKABMM CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3Cl)cc2)no1 ZINC000226080394 572130399 /nfs/dbraw/zinc/13/03/99/572130399.db2.gz WBTRWMZIFDEZCF-UHFFFAOYSA-N -1 1 541.029 5.256 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408529464 572168336 /nfs/dbraw/zinc/16/83/36/572168336.db2.gz HWDODTCDXFNTBX-UHFFFAOYSA-N -1 1 554.666 6.772 40 0 KKABMM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408531144 572174341 /nfs/dbraw/zinc/17/43/41/572174341.db2.gz MHHURMSFSJSGBQ-UHFFFAOYSA-N -1 1 507.439 6.244 40 0 KKABMM Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)ccc1Br ZINC000408543424 572212649 /nfs/dbraw/zinc/21/26/49/572212649.db2.gz DHOBFRRJPXAUGY-UHFFFAOYSA-N -1 1 602.532 5.116 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1C ZINC000408544261 572215432 /nfs/dbraw/zinc/21/54/32/572215432.db2.gz CMBBLRIKDBEYMW-JOCHJYFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408545476 572218950 /nfs/dbraw/zinc/21/89/50/572218950.db2.gz RNFMGHZYZCVIFY-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)ccc2C)cc1C ZINC000408545590 572219541 /nfs/dbraw/zinc/21/95/41/572219541.db2.gz VVKAMTDKQSFIEB-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408545604 572219771 /nfs/dbraw/zinc/21/97/71/572219771.db2.gz XFOPFFFQGDKQPM-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408545656 572220176 /nfs/dbraw/zinc/22/01/76/572220176.db2.gz LYONHNHSSKSZGS-QGZVFWFLSA-N -1 1 604.072 5.570 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2C)cc1C ZINC000408545739 572220724 /nfs/dbraw/zinc/22/07/24/572220724.db2.gz NPCUEOGCPDZRGK-UHFFFAOYSA-N -1 1 517.607 5.188 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)ccc2C)c1 ZINC000408546044 572221406 /nfs/dbraw/zinc/22/14/06/572221406.db2.gz PQRFCFUZFPKRMK-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408546077 572221642 /nfs/dbraw/zinc/22/16/42/572221642.db2.gz QIIVVPHNHWTIPU-HHHXNRCGSA-N -1 1 568.076 5.760 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408546376 572222750 /nfs/dbraw/zinc/22/27/50/572222750.db2.gz RWRLADHTRZNHKH-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2ccc(F)cc2)cc1 ZINC000408546388 572222761 /nfs/dbraw/zinc/22/27/61/572222761.db2.gz RZBCCNLUZZKJRP-UHFFFAOYSA-N -1 1 604.081 5.123 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)ccc2C)c1 ZINC000408546512 572223287 /nfs/dbraw/zinc/22/32/87/572223287.db2.gz TVWVUVRHZQRRGH-UHFFFAOYSA-N -1 1 528.718 7.205 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408546957 572224784 /nfs/dbraw/zinc/22/47/84/572224784.db2.gz HVLIUPJZUDHITP-UHFFFAOYSA-N -1 1 597.690 5.168 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)c(C)c1 ZINC000408547329 572225218 /nfs/dbraw/zinc/22/52/18/572225218.db2.gz YXRLVNXMGIOZAY-UHFFFAOYSA-N -1 1 652.116 7.138 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408547354 572225538 /nfs/dbraw/zinc/22/55/38/572225538.db2.gz ITQJDJDUGRCXKM-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2C)c(C)c1 ZINC000408547572 572226158 /nfs/dbraw/zinc/22/61/58/572226158.db2.gz ZVFMHOKKGABFMX-UHFFFAOYSA-N -1 1 541.673 5.637 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2ccc(F)cc2)cc1 ZINC000408547618 572226257 /nfs/dbraw/zinc/22/62/57/572226257.db2.gz KBUKOMRNLCFTBT-UHFFFAOYSA-N -1 1 652.553 6.166 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(F)cc2)cc1 ZINC000408547641 572226363 /nfs/dbraw/zinc/22/63/63/572226363.db2.gz KNQUREKHZCAREC-UHFFFAOYSA-N -1 1 651.660 5.878 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2C)c1C ZINC000408548216 572228542 /nfs/dbraw/zinc/22/85/42/572228542.db2.gz QOQIICZWSDROSH-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000408549088 572231023 /nfs/dbraw/zinc/23/10/23/572231023.db2.gz WSPDQYPEFMZMRE-UHFFFAOYSA-N -1 1 615.733 5.624 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408549039 572231064 /nfs/dbraw/zinc/23/10/64/572231064.db2.gz VZDURIKZCZZYSB-UHFFFAOYSA-N -1 1 642.052 6.133 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408549398 572231949 /nfs/dbraw/zinc/23/19/49/572231949.db2.gz YWECCCLXAQUGSD-UHFFFAOYSA-N -1 1 632.135 5.821 40 0 KKABMM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000408556277 572243667 /nfs/dbraw/zinc/24/36/67/572243667.db2.gz IQGWAVJRBTXDCJ-UHFFFAOYSA-N -1 1 568.910 5.484 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408556203 572243759 /nfs/dbraw/zinc/24/37/59/572243759.db2.gz IIEDLRAQKYOIDC-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408557751 572245180 /nfs/dbraw/zinc/24/51/80/572245180.db2.gz OREHACSFRKZKPJ-UHFFFAOYSA-N -1 1 515.802 5.474 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000408558090 572245594 /nfs/dbraw/zinc/24/55/94/572245594.db2.gz PREQKVOAWIMPSN-UHFFFAOYSA-N -1 1 503.766 5.604 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558407 572245821 /nfs/dbraw/zinc/24/58/21/572245821.db2.gz RKUNHRAWNXTBGR-UHFFFAOYSA-N -1 1 556.809 5.396 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1Sc1ccccc1 ZINC000408560319 572247511 /nfs/dbraw/zinc/24/75/11/572247511.db2.gz OMIYNTOSMBEYLB-UHFFFAOYSA-N -1 1 559.496 6.963 40 0 KKABMM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408563836 572249787 /nfs/dbraw/zinc/24/97/87/572249787.db2.gz RNXVLNXSJLPMRK-UHFFFAOYSA-N -1 1 514.909 5.429 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408585871 572266107 /nfs/dbraw/zinc/26/61/07/572266107.db2.gz KFGXGPRXNSCMHU-UHFFFAOYSA-N -1 1 508.383 5.014 40 0 KKABMM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c(OC)cc1Cl ZINC000408594407 572269722 /nfs/dbraw/zinc/26/97/22/572269722.db2.gz QJMWCATZROFJOB-UHFFFAOYSA-N -1 1 545.828 5.482 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)c1 ZINC000408597390 572271562 /nfs/dbraw/zinc/27/15/62/572271562.db2.gz YXAQIPBUURDPIJ-UHFFFAOYSA-N -1 1 551.020 5.398 40 0 KKABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1OC ZINC000408601390 572272766 /nfs/dbraw/zinc/27/27/66/572272766.db2.gz GIJPYRCMXOYQOZ-UHFFFAOYSA-N -1 1 544.935 5.194 40 0 KKABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1Cl ZINC000408603424 572273598 /nfs/dbraw/zinc/27/35/98/572273598.db2.gz JUDPIYKDCKRYTL-UHFFFAOYSA-N -1 1 549.354 5.839 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2C)cc1 ZINC000408606618 572274944 /nfs/dbraw/zinc/27/49/44/572274944.db2.gz LCTLPOPKASSWNI-UHFFFAOYSA-N -1 1 519.022 6.241 40 0 KKABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1)C(=O)NC1CCCCC1 ZINC000408607769 572275315 /nfs/dbraw/zinc/27/53/15/572275315.db2.gz QIBUCFFDOQERIS-CQSZACIVSA-N -1 1 504.958 5.376 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408623884 572282913 /nfs/dbraw/zinc/28/29/13/572282913.db2.gz QGHIRYSSVHDTHF-UHFFFAOYSA-N -1 1 513.335 5.829 40 0 KKABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408627066 572284251 /nfs/dbraw/zinc/28/42/51/572284251.db2.gz XUGVJSRZMJCHBG-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)[O-])n1 ZINC000408631380 572287463 /nfs/dbraw/zinc/28/74/63/572287463.db2.gz IDBHNJJUVNEQCU-YVNNLAQVSA-N -1 1 562.862 7.237 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)[O-])n1 ZINC000408631422 572287572 /nfs/dbraw/zinc/28/75/72/572287572.db2.gz IPINVTWESKZZAH-YSMPRRRNSA-N -1 1 622.928 7.846 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OC(C)C)c(I)c2)C(=O)[O-])n1 ZINC000408631517 572287607 /nfs/dbraw/zinc/28/76/07/572287607.db2.gz JXQLKQBMMOECSO-IUXPMGMMSA-N -1 1 697.720 6.348 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2cccc3ccccc32)C(=O)[O-])n1 ZINC000408631642 572287948 /nfs/dbraw/zinc/28/79/48/572287948.db2.gz KWWMIBSCUORRAL-YSMPRRRNSA-N -1 1 544.032 7.084 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)[O-])n1 ZINC000408631782 572288006 /nfs/dbraw/zinc/28/80/06/572288006.db2.gz LKHMBFXNKYJXAB-UUYOSTAYSA-N -1 1 572.868 6.693 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(OCc4ccc(Cl)cc4Cl)c3)C(=O)[O-])n2)c1 ZINC000408631787 572288038 /nfs/dbraw/zinc/28/80/38/572288038.db2.gz GKJZOGNMCXTREY-AQHIEDMUSA-N -1 1 558.443 6.593 40 0 KKABMM CC(C)Oc1c(I)cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1I ZINC000408632345 572288768 /nfs/dbraw/zinc/28/87/68/572288768.db2.gz DPUZQCIALRCHAT-SXGWCWSVSA-N -1 1 667.694 6.339 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)C(=O)[O-])n2)c1 ZINC000408632310 572288779 /nfs/dbraw/zinc/28/87/79/572288779.db2.gz IPPPBOKNEQEOMZ-RMORIDSASA-N -1 1 558.443 6.593 40 0 KKABMM CCOC(=O)COc1ccc2ccccc2c1C=C(Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(=O)[O-] ZINC000408632472 572288790 /nfs/dbraw/zinc/28/87/90/572288790.db2.gz QKBVSCBBUKMBKL-XKZIYDEJSA-N -1 1 539.997 5.447 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)[O-])n1 ZINC000408632770 572289268 /nfs/dbraw/zinc/28/92/68/572289268.db2.gz SHWAXVNJIACPNJ-JJFYIABZSA-N -1 1 590.858 6.832 40 0 KKABMM COC(=O)c1cc(-c2ccc(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])o2)ccc1Cl ZINC000408633448 572290157 /nfs/dbraw/zinc/29/01/57/572290157.db2.gz NBINTYYKMJAQNU-MTJSOVHGSA-N -1 1 541.969 5.407 40 0 KKABMM O=C([O-])C(=Cc1cc(I)cc(I)c1OCc1ccccc1F)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633724 572290528 /nfs/dbraw/zinc/29/05/28/572290528.db2.gz LSJDFEKLRMYKAN-JMIUGGIZSA-N -1 1 733.728 7.270 40 0 KKABMM O=C([O-])C(=Cc1c(OCc2ccccc2F)ccc2ccccc21)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633938 572290817 /nfs/dbraw/zinc/29/08/17/572290817.db2.gz NXGRVRGJHWHDJV-MYYYXRDXSA-N -1 1 531.996 7.214 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634032 572290949 /nfs/dbraw/zinc/29/09/49/572290949.db2.gz RDGGEZVNFSGAIX-ROTLSHHCSA-N -1 1 533.606 5.603 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C(=O)[O-])n2)c1 ZINC000408634195 572291053 /nfs/dbraw/zinc/29/10/53/572291053.db2.gz RYHNFTWHZBRWKT-RMORIDSASA-N -1 1 602.894 6.702 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000408634117 572291098 /nfs/dbraw/zinc/29/10/98/572291098.db2.gz PGLWUERSRZOINU-BKUYFWCQSA-N -1 1 528.417 6.584 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408634267 572291247 /nfs/dbraw/zinc/29/12/47/572291247.db2.gz SXHXESLRVNLVIY-GATIEOLUSA-N -1 1 581.481 7.017 40 0 KKABMM COc1ccc(COc2ccc(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])cc2)cc1 ZINC000408634311 572291333 /nfs/dbraw/zinc/29/13/33/572291333.db2.gz UDLYVDKYCUTESE-MSXFZWOLSA-N -1 1 519.579 5.294 40 0 KKABMM O=C([O-])C(=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634423 572291485 /nfs/dbraw/zinc/29/14/85/572291485.db2.gz QZRKDZDIEVZVHW-MYYYXRDXSA-N -1 1 548.451 7.729 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408634671 572291716 /nfs/dbraw/zinc/29/17/16/572291716.db2.gz WIOWUFWASDVTJU-MXAYSNPKSA-N -1 1 530.581 5.849 40 0 KKABMM O=C([O-])/C(=C/c1cc(I)c(O)c(I)c1)Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000408634781 572291796 /nfs/dbraw/zinc/29/17/96/572291796.db2.gz UMWGMBGSSABULT-QPEQYQDCSA-N -1 1 626.597 5.523 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OCc4ccccc4F)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408635114 572292179 /nfs/dbraw/zinc/29/21/79/572292179.db2.gz YXRUDRBVKNBHEN-RMORIDSASA-N -1 1 616.465 6.196 40 0 KKABMM O=C([O-])C(=Cc1ccc(-c2cc(Br)ccc2Br)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635162 572292307 /nfs/dbraw/zinc/29/23/07/572292307.db2.gz XMAYRWWJZHJPHN-VCHYOVAHSA-N -1 1 581.673 7.128 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1Br ZINC000408635426 572292462 /nfs/dbraw/zinc/29/24/62/572292462.db2.gz BAXCYEIJOGKNTD-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2cccc3ccccc32)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635320 572292467 /nfs/dbraw/zinc/29/24/67/572292467.db2.gz ZFGLCACEQYVSFF-XYGWBWBKSA-N -1 1 514.006 7.075 40 0 KKABMM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635635 572292713 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/nfs/dbraw/zinc/71/91/95/1069719195.db2.gz ZTOGCJJFSBPPBF-UHFFFAOYSA-N -1 1 573.491 6.818 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCCC(C)C ZINC000108423306 1069720442 /nfs/dbraw/zinc/72/04/42/1069720442.db2.gz IFGKTCNDVYHBKH-UHFFFAOYSA-N -1 1 552.675 6.700 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)n1 ZINC000409091511 1069775851 /nfs/dbraw/zinc/77/58/51/1069775851.db2.gz UWAFCCGLOOYWTI-MTIYOZEWSA-N -1 1 616.124 5.076 40 0 KKABMM CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4[O-])c(=O)n32)cc1 ZINC000408850526 1070064158 /nfs/dbraw/zinc/06/41/58/1070064158.db2.gz BKHOATJMTAQBKG-PNZYDNNZSA-N -1 1 763.395 5.187 40 0 KKABMM O=C1[N-]C(=O)/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)N1 ZINC000408917202 1070207066 /nfs/dbraw/zinc/20/70/66/1070207066.db2.gz OTRLRMFVIHZNHJ-LHHJGKSTSA-N -1 1 520.992 5.278 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408920439 1070225958 /nfs/dbraw/zinc/22/59/58/1070225958.db2.gz HRXBRPZYEXRRNH-UHFFFAOYSA-N -1 1 621.634 5.788 40 0 KKABMM Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408921027 1070228497 /nfs/dbraw/zinc/22/84/97/1070228497.db2.gz RBRPRSNFOLGVAB-UHFFFAOYSA-N -1 1 696.250 8.250 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(Cl)cc2)cc1 ZINC000408925052 1070235939 /nfs/dbraw/zinc/23/59/39/1070235939.db2.gz SLCGDTYMSFGURT-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1Br ZINC000409026394 1070410329 /nfs/dbraw/zinc/41/03/29/1070410329.db2.gz NYLPBRREDSRBGV-UHFFFAOYSA-N -1 1 566.282 5.366 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000409181221 1070598568 /nfs/dbraw/zinc/59/85/68/1070598568.db2.gz ZLDAVGLWYRYCKR-UHFFFAOYSA-N -1 1 634.563 5.945 40 0 KKABMM Cc1n[nH]c(SC(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)[O-])n1 ZINC000409196413 1070616541 /nfs/dbraw/zinc/61/65/41/1070616541.db2.gz ZZEHDGUVAZVUIZ-SOFYXZRVSA-N -1 1 688.112 6.426 40 0 KKABMM Cc1nc(SC(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)[O-])n[nH]1 ZINC000409196413 1070616546 /nfs/dbraw/zinc/61/65/46/1070616546.db2.gz ZZEHDGUVAZVUIZ-SOFYXZRVSA-N -1 1 688.112 6.426 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000409348490 1070865693 /nfs/dbraw/zinc/86/56/93/1070865693.db2.gz NUCFMRSIVUYGQL-UHFFFAOYSA-N -1 1 549.674 5.182 40 0 KKABMM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408906549 1070895047 /nfs/dbraw/zinc/89/50/47/1070895047.db2.gz HDSJMDOCQABOCV-UHFFFAOYSA-N -1 1 501.391 5.965 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1Br ZINC000408906304 1070896548 /nfs/dbraw/zinc/89/65/48/1070896548.db2.gz GDESLQWWHZWPTI-UHFFFAOYSA-N -1 1 566.282 5.366 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409412120 1070922248 /nfs/dbraw/zinc/92/22/48/1070922248.db2.gz RSIIXSWSJMDHDZ-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)ccc2C)cc1 ZINC000409409353 1070926956 /nfs/dbraw/zinc/92/69/56/1070926956.db2.gz NYPXDISEKGWOSV-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM CCCCCCO[C@H]1C=CC=C[C@@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408736945 1070951142 /nfs/dbraw/zinc/95/11/42/1070951142.db2.gz FCAHGESHPRPTJC-NSOVKSMOSA-N -1 1 538.692 6.926 40 0 KKABMM O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408926511 1071071925 /nfs/dbraw/zinc/07/19/25/1071071925.db2.gz YHQAQQSFNISZBQ-UHFFFAOYSA-N -1 1 634.961 5.737 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000408926529 1071071952 /nfs/dbraw/zinc/07/19/52/1071071952.db2.gz UKVCPJRCQBKJQY-UHFFFAOYSA-N -1 1 508.902 5.100 40 0 KKABMM O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408925897 1071075619 /nfs/dbraw/zinc/07/56/19/1071075619.db2.gz RRTCLQQYDIMMFC-UHFFFAOYSA-N -1 1 624.062 5.994 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000408926010 1071075700 /nfs/dbraw/zinc/07/57/00/1071075700.db2.gz MJDTVJVUESVJAQ-UHFFFAOYSA-N -1 1 653.704 6.802 40 0 KKABMM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408925885 1071076124 /nfs/dbraw/zinc/07/61/24/1071076124.db2.gz RQDWWFUZGJQDMQ-UHFFFAOYSA-N -1 1 514.909 5.186 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cccc(Cl)c2)cc1 ZINC000408924289 1071082104 /nfs/dbraw/zinc/08/21/04/1071082104.db2.gz FYKWXKZTIFLLHV-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408923463 1071087113 /nfs/dbraw/zinc/08/71/13/1071087113.db2.gz YANOWXZEWQXQMP-UHFFFAOYSA-N -1 1 543.497 7.339 40 0 KKABMM O=C(CSCc1ccccc1Br)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408923099 1071089490 /nfs/dbraw/zinc/08/94/90/1071089490.db2.gz FISBJPNNZJTXQS-UHFFFAOYSA-N -1 1 570.328 5.884 40 0 KKABMM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000408922345 1071091751 /nfs/dbraw/zinc/09/17/51/1071091751.db2.gz ZLWJLKJWJJAEGC-MRXNPFEDSA-N -1 1 620.071 5.352 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccccc2)cc1 ZINC000408921737 1071094054 /nfs/dbraw/zinc/09/40/54/1071094054.db2.gz WIBGLWQEUDEMSN-UHFFFAOYSA-N -1 1 615.733 5.873 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2)cc1 ZINC000408920603 1071103695 /nfs/dbraw/zinc/10/36/95/1071103695.db2.gz JZCJWUZBAYNRTP-UHFFFAOYSA-N -1 1 633.670 5.739 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OCC ZINC000408681752 1071373477 /nfs/dbraw/zinc/37/34/77/1071373477.db2.gz SAKBLCZWXNYAPO-UHFFFAOYSA-N -1 1 545.466 5.392 40 0 KKABMM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)CC2)c1 ZINC000408681527 1071373631 /nfs/dbraw/zinc/37/36/31/1071373631.db2.gz XCZSIMDWCIQERK-UHFFFAOYSA-N -1 1 630.110 5.649 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000408681613 1071374239 /nfs/dbraw/zinc/37/42/39/1071374239.db2.gz YPRLOBATARVQIA-UHFFFAOYSA-N -1 1 650.528 5.994 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000408695948 1071381707 /nfs/dbraw/zinc/38/17/07/1071381707.db2.gz WHNOQHYPINMFSR-UHFFFAOYSA-N -1 1 616.136 5.614 40 0 KKABMM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408695537 1071383012 /nfs/dbraw/zinc/38/30/12/1071383012.db2.gz VXQBLNLDTZBJEU-UHFFFAOYSA-N -1 1 506.546 5.821 40 0 KKABMM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408695754 1071383140 /nfs/dbraw/zinc/38/31/40/1071383140.db2.gz UPSYSXJMCHUZTN-OAQYLSRUSA-N -1 1 523.836 5.699 40 0 KKABMM O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408694858 1071386116 /nfs/dbraw/zinc/38/61/16/1071386116.db2.gz NIZPFXZAVWLEJL-UHFFFAOYSA-N -1 1 572.039 5.094 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C(=O)N1CCCCC1 ZINC000408693537 1071391152 /nfs/dbraw/zinc/39/11/52/1071391152.db2.gz YZPBEJQLIHOWHT-UHFFFAOYSA-N -1 1 579.700 5.076 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693410 1071391562 /nfs/dbraw/zinc/39/15/62/1071391562.db2.gz SJQCTOKBXBPQRT-UHFFFAOYSA-N -1 1 592.139 5.275 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 ZINC000408693948 1071389493 /nfs/dbraw/zinc/38/94/93/1071389493.db2.gz CPPIKKGRIOTNSJ-UHFFFAOYSA-N -1 1 624.490 5.998 40 0 KKABMM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Br)cc2)=C([O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408689789 1071410991 /nfs/dbraw/zinc/41/09/91/1071410991.db2.gz ZBFANUDTLZSIIN-JOCHJYFZSA-N -1 1 540.262 6.363 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704360 1071439769 /nfs/dbraw/zinc/43/97/69/1071439769.db2.gz MMZOJMKWVGWYFK-GDLZYMKVSA-N -1 1 657.011 6.930 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408705205 1071435571 /nfs/dbraw/zinc/43/55/71/1071435571.db2.gz ZRJJHVRPGNESPB-XIFFEERXSA-N -1 1 628.175 7.321 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000408703923 1071442155 /nfs/dbraw/zinc/44/21/55/1071442155.db2.gz WABXAUROZQECNM-UHFFFAOYSA-N -1 1 588.029 5.196 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccc(Cl)cc4)cc3)cc2)c1 ZINC000408703737 1071442863 /nfs/dbraw/zinc/44/28/63/1071442863.db2.gz GQTYJBJJRLVBTR-PMERELPUSA-N -1 1 592.142 6.476 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc(Cl)ccc1Cl ZINC000408702874 1071446291 /nfs/dbraw/zinc/44/62/91/1071446291.db2.gz JFPJBHSKXVXKAX-UHFFFAOYSA-N -1 1 606.553 6.132 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408700884 1071453875 /nfs/dbraw/zinc/45/38/75/1071453875.db2.gz NNFYKYUCPOGHGS-UHFFFAOYSA-N -1 1 630.110 6.141 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408700901 1071454641 /nfs/dbraw/zinc/45/46/41/1071454641.db2.gz NXUZZMQMQVOQIN-UHFFFAOYSA-N -1 1 612.557 5.476 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714751 1071474204 /nfs/dbraw/zinc/47/42/04/1071474204.db2.gz NHRRURCTHQPQAE-UHFFFAOYSA-N -1 1 573.762 5.253 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714558 1071475445 /nfs/dbraw/zinc/47/54/45/1071475445.db2.gz DPHBFJPVZQYIPK-UHFFFAOYSA-N -1 1 608.207 5.988 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C(=O)N1CCOCC1 ZINC000408714579 1071476126 /nfs/dbraw/zinc/47/61/26/1071476126.db2.gz GXZZYSVQOVJWKM-UHFFFAOYSA-N -1 1 528.721 5.282 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714586 1071476157 /nfs/dbraw/zinc/47/61/57/1071476157.db2.gz HMBGDRILBUWQLC-UHFFFAOYSA-N -1 1 594.180 5.680 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)c2C)cc1 ZINC000408712589 1071480843 /nfs/dbraw/zinc/48/08/43/1071480843.db2.gz XWKJNNTXJCJRGH-UHFFFAOYSA-N -1 1 638.089 6.830 40 0 KKABMM CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000408712416 1071486440 /nfs/dbraw/zinc/48/64/40/1071486440.db2.gz ZKLOHMZWYWBFQW-UHFFFAOYSA-N -1 1 584.547 5.496 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2C)cc1 ZINC000408712523 1071481794 /nfs/dbraw/zinc/48/17/94/1071481794.db2.gz CCBYUBQYXXAVEB-UHFFFAOYSA-N -1 1 585.707 6.311 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)c1 ZINC000408712323 1071484276 /nfs/dbraw/zinc/48/42/76/1071484276.db2.gz MHPOPOZVDIMQMR-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408712361 1071484919 /nfs/dbraw/zinc/48/49/19/1071484919.db2.gz QZUQHNSCXIJNMS-KRWDZBQOSA-N -1 1 570.520 5.204 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)cc1 ZINC000408712406 1071485587 /nfs/dbraw/zinc/48/55/87/1071485587.db2.gz YVRVHZIOTCKUGR-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1 ZINC000408712172 1071487212 /nfs/dbraw/zinc/48/72/12/1071487212.db2.gz LXVDIILXQJACRR-UHFFFAOYSA-N -1 1 565.673 5.248 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000408712288 1071489281 /nfs/dbraw/zinc/48/92/81/1071489281.db2.gz HOQNTEYJZQXZJP-UHFFFAOYSA-N -1 1 603.697 5.998 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712147 1071490351 /nfs/dbraw/zinc/49/03/51/1071490351.db2.gz GSICANCXHJAFQK-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)c2C)cc1 ZINC000408711276 1071495465 /nfs/dbraw/zinc/49/54/65/1071495465.db2.gz CNOIBNXJMLGLLF-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408711565 1071495641 /nfs/dbraw/zinc/49/56/41/1071495641.db2.gz XQRDYJZNULDPNY-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000408711369 1071497971 /nfs/dbraw/zinc/49/79/71/1071497971.db2.gz OGXJGRHWYMSPBQ-UHFFFAOYSA-N -1 1 638.982 6.666 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cccc(C)c4)S(C)(=O)=O)cc3)cc2)c1 ZINC000408711384 1071498829 /nfs/dbraw/zinc/49/88/29/1071498829.db2.gz QHOBMAKQGVJNSK-UHFFFAOYSA-N -1 1 563.701 5.323 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)c(C)c3)cc2)cc1 ZINC000408711398 1071498979 /nfs/dbraw/zinc/49/89/79/1071498979.db2.gz RODIQUVBHVHYKZ-UHFFFAOYSA-N -1 1 565.673 5.166 40 0 KKABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000408711159 1071500403 /nfs/dbraw/zinc/50/04/03/1071500403.db2.gz AGCSAZIJHJKQPT-NRFANRHFSA-N -1 1 551.690 5.051 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711230 1071501889 /nfs/dbraw/zinc/50/18/89/1071501889.db2.gz KBHCVZPERTVEQY-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM CCCCO[C@H]1C=CC=C[C@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408736884 1071553685 /nfs/dbraw/zinc/55/36/85/1071553685.db2.gz BMUKYULUWDZTLS-FTJBHMTQSA-N -1 1 510.638 6.145 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1cc(OC)ccc1OC ZINC000408990539 1071589162 /nfs/dbraw/zinc/58/91/62/1071589162.db2.gz NWBMRUROISLEGM-UHFFFAOYSA-N -1 1 506.624 6.328 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCC(=O)Nc1ccccc1 ZINC000408997370 1071664880 /nfs/dbraw/zinc/66/48/80/1071664880.db2.gz GEVOMEDGMFZCOG-UHFFFAOYSA-N -1 1 503.624 6.139 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000409035380 1071753132 /nfs/dbraw/zinc/75/31/32/1071753132.db2.gz PNDGUNQIHARPOO-BJJGPXNVSA-N -1 1 717.807 5.313 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409039277 1071900810 /nfs/dbraw/zinc/90/08/10/1071900810.db2.gz RATMYLUIFJKQTA-BJJGPXNVSA-N -1 1 717.807 5.313 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cccs1 ZINC000409055079 1071931111 /nfs/dbraw/zinc/93/11/11/1071931111.db2.gz CETUEVKMHKSJGQ-PSXBWXLBSA-N -1 1 693.382 5.070 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409061834 1072026568 /nfs/dbraw/zinc/02/65/68/1072026568.db2.gz ITPUNUIMVKTAPA-GXPYYPFNSA-N -1 1 721.798 5.662 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409087033 1072160056 /nfs/dbraw/zinc/16/00/56/1072160056.db2.gz FUCHUKUVSWRYFQ-RPTCSZHISA-N -1 1 784.508 6.017 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409095808 1072238098 /nfs/dbraw/zinc/23/80/98/1072238098.db2.gz DHBPOFOBAOMUFY-IDGUORLLSA-N -1 1 721.680 5.968 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409099385 1072325768 /nfs/dbraw/zinc/32/57/68/1072325768.db2.gz RBJLZHUQUWEHQW-DNQIBQKISA-N -1 1 750.491 5.660 40 0 KKABMM CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc(Br)c(Sc5nc(C)cc(=O)[n-]5)o4)c(=O)n32)cc1 ZINC000409098911 1072328110 /nfs/dbraw/zinc/32/81/10/1072328110.db2.gz RISRZKSNRVKTAB-MTCPJELPSA-N -1 1 673.636 5.219 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409105822 1072346966 /nfs/dbraw/zinc/34/69/66/1072346966.db2.gz KYCHFRMAHPRDQL-RBXKPUFLSA-N -1 1 702.656 6.308 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409102266 1072366415 /nfs/dbraw/zinc/36/64/15/1072366415.db2.gz YJRWXOZYWUQCFF-MEVAHUFZSA-N -1 1 710.031 5.900 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409107686 1072412396 /nfs/dbraw/zinc/41/23/96/1072412396.db2.gz SMDNKUJISUZVRL-QIAAYXBRSA-N -1 1 661.161 5.146 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000409342010 1072451532 /nfs/dbraw/zinc/45/15/32/1072451532.db2.gz BAJPEBWXRSHHCW-UHFFFAOYSA-N -1 1 603.644 5.892 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409371563 1072648583 /nfs/dbraw/zinc/64/85/83/1072648583.db2.gz HQUBQLZHFDPBSU-UHFFFAOYSA-N -1 1 747.033 8.911 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409371609 1072649254 /nfs/dbraw/zinc/64/92/54/1072649254.db2.gz ITTYPDWWHQRPHA-UHFFFAOYSA-N -1 1 655.582 8.960 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(-c3ccccc3)nc2-c2cccs2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409371473 1072649627 /nfs/dbraw/zinc/64/96/27/1072649627.db2.gz IXGBWXZRRVUZLZ-UHFFFAOYSA-N -1 1 584.705 7.589 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 ZINC000409371462 1072649713 /nfs/dbraw/zinc/64/97/13/1072649713.db2.gz IXDWAZCYDOVIFU-UHFFFAOYSA-N -1 1 863.321 9.770 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)S(C)(=O)=O ZINC000409166004 1072651668 /nfs/dbraw/zinc/65/16/68/1072651668.db2.gz BWXQPYQQJAEDJA-UHFFFAOYSA-N -1 1 584.119 5.668 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000409369844 1072657462 /nfs/dbraw/zinc/65/74/62/1072657462.db2.gz ZXMSONROVSHRMX-UHFFFAOYSA-N -1 1 577.084 7.907 40 0 KKABMM CCOC(=O)c1cc(-c2ccc(C(c3c(=O)[nH][n-]c3-c3ccc(C)cc3)c3c(=O)[nH][nH]c3-c3ccc(C)cc3)o2)ccc1Cl ZINC000409369632 1072657510 /nfs/dbraw/zinc/65/75/10/1072657510.db2.gz SMGSAEMYZANGJB-UHFFFAOYSA-N -1 1 609.082 7.765 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1O ZINC000409369413 1072659739 /nfs/dbraw/zinc/65/97/39/1072659739.db2.gz MSXSTZZVEWVTDI-UHFFFAOYSA-N -1 1 561.436 6.152 40 0 KKABMM COC(=O)COc1c(Cl)cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1OC ZINC000409368475 1072664866 /nfs/dbraw/zinc/66/48/66/1072664866.db2.gz XQPCRJBDVBUAQA-UHFFFAOYSA-N -1 1 589.048 5.889 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409368092 1072667147 /nfs/dbraw/zinc/66/71/47/1072667147.db2.gz NFYNHBZZWOAANY-UHFFFAOYSA-N -1 1 733.006 8.521 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2C)c1C ZINC000409382940 1072704572 /nfs/dbraw/zinc/70/45/72/1072704572.db2.gz YQCMJUAPFYULOM-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000409175945 1072713902 /nfs/dbraw/zinc/71/39/02/1072713902.db2.gz FIYSOHPZVZHWFT-UHFFFAOYSA-N -1 1 665.643 5.251 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000409173558 1072726340 /nfs/dbraw/zinc/72/63/40/1072726340.db2.gz LULLSKJLCJUQQI-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409173121 1072729426 /nfs/dbraw/zinc/72/94/26/1072729426.db2.gz KEAAMWLERJJQIC-UHFFFAOYSA-N -1 1 515.871 6.320 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(F)cc2)cc1OC ZINC000409169363 1072750690 /nfs/dbraw/zinc/75/06/90/1072750690.db2.gz XWJFWDHZHWWZLW-UHFFFAOYSA-N -1 1 678.558 5.240 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409168695 1072752877 /nfs/dbraw/zinc/75/28/77/1072752877.db2.gz ROFWIIXJPXLDNH-UHFFFAOYSA-N -1 1 744.166 6.028 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)ccc2C)cc1 ZINC000409412659 1072786012 /nfs/dbraw/zinc/78/60/12/1072786012.db2.gz ZDBPNNXLHSBHJZ-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc2C)c1 ZINC000409412106 1072789934 /nfs/dbraw/zinc/78/99/34/1072789934.db2.gz RHDDYTLWPFKROY-UHFFFAOYSA-N -1 1 603.644 6.176 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)ccc2C)c1 ZINC000409411724 1072793933 /nfs/dbraw/zinc/79/39/33/1072793933.db2.gz KNKQHBKVICZABX-UHFFFAOYSA-N -1 1 628.570 6.228 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)c1 ZINC000409411437 1072796140 /nfs/dbraw/zinc/79/61/40/1072796140.db2.gz WTSBKFNDFBRMHQ-UHFFFAOYSA-N -1 1 519.486 5.739 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)c1 ZINC000409411458 1072796254 /nfs/dbraw/zinc/79/62/54/1072796254.db2.gz XCUYYOKWTNSDRC-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000409411148 1072799062 /nfs/dbraw/zinc/79/90/62/1072799062.db2.gz DIGVFTBWCSYOMC-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000409180744 1072802441 /nfs/dbraw/zinc/80/24/41/1072802441.db2.gz VAISMYQUOQUEFI-UHFFFAOYSA-N -1 1 531.486 6.819 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000409410691 1072802403 /nfs/dbraw/zinc/80/24/03/1072802403.db2.gz ZVAYIRUJGMYPIJ-UHFFFAOYSA-N -1 1 718.559 6.664 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2)cc1 ZINC000409410339 1072803943 /nfs/dbraw/zinc/80/39/43/1072803943.db2.gz MLMQKVCVZQQMMP-UHFFFAOYSA-N -1 1 537.106 7.302 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2cccc(Cl)c2)cc1 ZINC000409180475 1072804139 /nfs/dbraw/zinc/80/41/39/1072804139.db2.gz UBTDMIAPVPZVLG-UHFFFAOYSA-N -1 1 634.563 5.945 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)cc2)cc1 ZINC000409410428 1072805177 /nfs/dbraw/zinc/80/51/77/1072805177.db2.gz MWGSHBWUJWGUHB-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409410212 1072805913 /nfs/dbraw/zinc/80/59/13/1072805913.db2.gz UANZFLMBMWLCPM-HHHXNRCGSA-N -1 1 602.521 6.414 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3)ccc2C)c(C)c1 ZINC000409410266 1072806431 /nfs/dbraw/zinc/80/64/31/1072806431.db2.gz LXPABPASCGDSJD-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)cc2)cc1 ZINC000409409978 1072807557 /nfs/dbraw/zinc/80/75/57/1072807557.db2.gz KJPXUROVROTHQQ-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)c(C)c1 ZINC000409409537 1072810065 /nfs/dbraw/zinc/81/00/65/1072810065.db2.gz HSXNNNSCENNESO-UHFFFAOYSA-N -1 1 519.667 5.727 40 0 KKABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cc(C)cc(C)c4)c3)cc2)c1 ZINC000409409293 1072812086 /nfs/dbraw/zinc/81/20/86/1072812086.db2.gz GWMFDNVIVOYVDS-UHFFFAOYSA-N -1 1 630.144 5.828 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409178949 1072812756 /nfs/dbraw/zinc/81/27/56/1072812756.db2.gz LAGKARTVSMCGMU-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccc(F)cc2)cc1 ZINC000409408934 1072813213 /nfs/dbraw/zinc/81/32/13/1072813213.db2.gz FGDKBDPQRATGRF-UHFFFAOYSA-N -1 1 618.108 5.431 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000409178515 1072816234 /nfs/dbraw/zinc/81/62/34/1072816234.db2.gz KMVZXJKHPQIZTQ-UHFFFAOYSA-N -1 1 688.533 6.656 40 0 KKABMM O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000409408349 1072816380 /nfs/dbraw/zinc/81/63/80/1072816380.db2.gz BZTVAVIMWVOSRQ-UHFFFAOYSA-N -1 1 663.777 7.267 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409177562 1072822757 /nfs/dbraw/zinc/82/27/57/1072822757.db2.gz AAVRKIXUZQTUMK-UHFFFAOYSA-N -1 1 663.015 6.354 40 0 KKABMM COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409193365 1072825103 /nfs/dbraw/zinc/82/51/03/1072825103.db2.gz JKTPEFKXPLRJIA-KPKJPENVSA-N -1 1 519.598 5.820 40 0 KKABMM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=Cc3c(c(C)nn3-c3ccnc4cc(Cl)ccc43)C1=O)O2 ZINC001547138353 1073177148 /nfs/dbraw/zinc/17/71/48/1073177148.db2.gz IPAIFDSBUMWDIF-MHZLTWQESA-N -1 1 501.926 5.192 40 0 KKABMM Cc1c(Cl)c(OCCN2CCN(C)CC2)ccc1-c1c(-c2ccc(F)o2)sc2ncnc(OC(Cc3ccccc3OCc3ccnn3CC(F)(F)F)C(=O)[O-])c21 ZINC001560403768 1073193938 /nfs/dbraw/zinc/19/39/38/1073193938.db2.gz STRJIAWJTWNBAD-UHFFFAOYSA-N -1 1 828.265 7.921 40 0 KKABMM CCOC(=O)[N-]C(=S)N(c1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000015771682 1073203511 /nfs/dbraw/zinc/20/35/11/1073203511.db2.gz IESUBAUBCBGPGD-UHFFFAOYSA-N -1 1 524.815 9.283 40 0 KKABMM O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000002159296 551780615 /nfs/dbraw/zinc/78/06/15/551780615.db2.gz ZJVSHWMHMPTXEL-GDBHHJMHSA-N -1 1 510.467 8.049 40 0 KKABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2)c1 ZINC000006141685 552542992 /nfs/dbraw/zinc/54/29/92/552542992.db2.gz QWKQSNVZNSAUIA-GLYQVZKVSA-N -1 1 501.645 5.265 40 0 KKABMM Cc1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010313910 553332481 /nfs/dbraw/zinc/33/24/81/553332481.db2.gz AFWJITLQTVTODD-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)cc1 ZINC000010314254 553332792 /nfs/dbraw/zinc/33/27/92/553332792.db2.gz ONOHUAGPGZKEKN-UHFFFAOYSA-N -1 1 505.640 5.419 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)ccc2C)cc1 ZINC000010315011 553333042 /nfs/dbraw/zinc/33/30/42/553333042.db2.gz LSYFDSPXZCNDTI-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c2)cc1 ZINC000010331794 553333997 /nfs/dbraw/zinc/33/39/97/553333997.db2.gz LWXUBJCTSUDNGQ-UHFFFAOYSA-N -1 1 504.995 5.933 40 0 KKABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010330599 553334046 /nfs/dbraw/zinc/33/40/46/553334046.db2.gz MJYIJDSVBGINOT-OAQYLSRUSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000010358204 553335134 /nfs/dbraw/zinc/33/51/34/553335134.db2.gz RLZAEXXWBCFFOJ-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2C)cc1 ZINC000010364323 553335599 /nfs/dbraw/zinc/33/55/99/553335599.db2.gz UDWIRIMNHFLLJI-UHFFFAOYSA-N -1 1 507.052 5.560 40 0 KKABMM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013811457 553492659 /nfs/dbraw/zinc/49/26/59/553492659.db2.gz QQLFJLVMQCIPOZ-KCHLEUMXSA-N -1 1 500.595 5.542 40 0 KKABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000014153844 553503843 /nfs/dbraw/zinc/50/38/43/553503843.db2.gz KZCSOOFQVASXJN-UHFFFAOYSA-N -1 1 513.619 5.021 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)cc3[O-])nc2c1 ZINC000014275085 553508097 /nfs/dbraw/zinc/50/80/97/553508097.db2.gz FGKNHERHGPANIY-BJMVGYQFSA-N -1 1 512.418 6.596 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)cc2Cl ZINC000016779638 553581920 /nfs/dbraw/zinc/58/19/20/553581920.db2.gz AFWWEKBDVVUCCX-UHFFFAOYSA-N -1 1 500.979 6.017 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018043652 553601941 /nfs/dbraw/zinc/60/19/41/553601941.db2.gz BOFLRWNUAIVPMS-PKTNWEFCSA-N -1 1 500.595 5.624 40 0 KKABMM CCCCOc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018176854 553607223 /nfs/dbraw/zinc/60/72/23/553607223.db2.gz VEBFZECWXXXTMH-QKDODKLFSA-N -1 1 521.013 5.969 40 0 KKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000020489109 553659690 /nfs/dbraw/zinc/65/96/90/553659690.db2.gz LXFUAVUPXJTMEL-GDLZYMKVSA-N -1 1 510.615 6.590 40 0 KKABMM O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020060902 553673224 /nfs/dbraw/zinc/67/32/24/553673224.db2.gz OUGQLLUPTZPGBU-UHFFFAOYSA-N -1 1 514.978 6.032 40 0 KKABMM CCCCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020110179 553693254 /nfs/dbraw/zinc/69/32/54/553693254.db2.gz KBGXHDGWFJNFIU-UHFFFAOYSA-N -1 1 500.020 5.231 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000020111427 553694000 /nfs/dbraw/zinc/69/40/00/553694000.db2.gz ZTJRSHIYUNSXHP-UHFFFAOYSA-N -1 1 509.480 6.283 40 0 KKABMM O=Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1 ZINC000094313238 553697133 /nfs/dbraw/zinc/69/71/33/553697133.db2.gz XXHLJTORMPKPTC-UHFFFAOYSA-N -1 1 717.804 5.415 40 0 in-vitro KKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000022110147 553726502 /nfs/dbraw/zinc/72/65/02/553726502.db2.gz RGIUFFOGYWXNGY-UHFFFAOYSA-N -1 1 515.408 5.841 40 0 KKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022110106 553726549 /nfs/dbraw/zinc/72/65/49/553726549.db2.gz NYOMVXKZIKHFRW-UHFFFAOYSA-N -1 1 501.837 6.346 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022110971 553726696 /nfs/dbraw/zinc/72/66/96/553726696.db2.gz OOHXPNHJHXRCJJ-UHFFFAOYSA-N -1 1 515.010 6.130 40 0 KKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Br)c1OCc1ccccc1F ZINC000022110931 553726793 /nfs/dbraw/zinc/72/67/93/553726793.db2.gz UWIIOQZPAQLGGO-UHFFFAOYSA-N -1 1 516.396 5.236 40 0 KKABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000022515148 553743672 /nfs/dbraw/zinc/74/36/72/553743672.db2.gz PJOUPQDPGPDXKQ-UHFFFAOYSA-N -1 1 508.518 5.095 40 0 KKABMM CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4c(OC)cccc4OC)cc3[O-])nc2c1 ZINC000022829697 553754343 /nfs/dbraw/zinc/75/43/43/553754343.db2.gz OORNFUHLPZEWLM-OAHLLOKOSA-N -1 1 505.596 5.858 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026119101 553817168 /nfs/dbraw/zinc/81/71/68/553817168.db2.gz OLMIAKFSWCCESU-UHFFFAOYSA-N -1 1 517.898 5.497 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1cc([N-]S(=O)(=O)c3ccccc3)ccc1Cl)CCCC2 ZINC000030758366 553857173 /nfs/dbraw/zinc/85/71/73/553857173.db2.gz OMGJECOJSJMQKC-UHFFFAOYSA-N -1 1 505.017 5.120 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000030854763 553858363 /nfs/dbraw/zinc/85/83/63/553858363.db2.gz RPICGDLLEPKCDC-MRXNPFEDSA-N -1 1 521.060 5.586 40 0 KKABMM CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)[N-][C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000097977003 553973621 /nfs/dbraw/zinc/97/36/21/553973621.db2.gz BLUIZLPURCWKDQ-ULSRQLJBSA-N -1 1 533.032 7.174 40 0 KKABMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000097984234 554015030 /nfs/dbraw/zinc/01/50/30/554015030.db2.gz FEIUURSBSRXRLE-DLTCTJLGSA-N -1 1 670.143 7.035 40 0 KKABMM CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1[C@H](O)[C@H](O)C(=O)C=C(O)CC(=O)[O-] ZINC000100070425 554200970 /nfs/dbraw/zinc/20/09/70/554200970.db2.gz UVDUPWCOLXAAMP-ZQWAWDFXSA-N -1 1 586.616 5.192 40 0 in-vitro KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)CC3)cc2)c1 ZINC000100092063 554212225 /nfs/dbraw/zinc/21/22/25/554212225.db2.gz JVMDSAYNLASSMW-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000100092324 554212585 /nfs/dbraw/zinc/21/25/85/554212585.db2.gz AMLSFJMQUJATQN-QGZVFWFLSA-N -1 1 616.976 5.628 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000100092698 554213175 /nfs/dbraw/zinc/21/31/75/554213175.db2.gz GCOSOTNCZONMHU-GOSISDBHSA-N -1 1 616.976 5.628 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000100092691 554213185 /nfs/dbraw/zinc/21/31/85/554213185.db2.gz DJIHTJUKNGZGFC-GOSISDBHSA-N -1 1 616.976 5.628 40 0 KKABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000100097079 554218581 /nfs/dbraw/zinc/21/85/81/554218581.db2.gz PWPUEAUEXAXVSG-UHFFFAOYSA-N -1 1 550.283 5.499 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3Sc3ccccc3)c2)cc1 ZINC000044847389 554304705 /nfs/dbraw/zinc/30/47/05/554304705.db2.gz LWPMRMDOIZCBFS-UHFFFAOYSA-N -1 1 509.052 6.853 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Br ZINC000044883139 554307508 /nfs/dbraw/zinc/30/75/08/554307508.db2.gz WGCVUNQTJHPZGU-UHFFFAOYSA-N -1 1 517.445 5.808 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccccc3)cc1Cl)CCCC2 ZINC000044899885 554308090 /nfs/dbraw/zinc/30/80/90/554308090.db2.gz JWQLOJPBSAMBEB-UHFFFAOYSA-N -1 1 519.044 5.510 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3[O-])nc2c1 ZINC000059331533 554389203 /nfs/dbraw/zinc/38/92/03/554389203.db2.gz JBGCHBDVDXKGJC-UHFFFAOYSA-N -1 1 517.994 6.803 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000100530516 554410390 /nfs/dbraw/zinc/41/03/90/554410390.db2.gz BKZJQMSDNFMIRC-UHFFFAOYSA-N -1 1 621.535 7.608 40 0 KKABMM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059852660 554452140 /nfs/dbraw/zinc/45/21/40/554452140.db2.gz PWVKKDKPAVXLQZ-QFIPXVFZSA-N -1 1 540.991 6.573 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059858474 554455971 /nfs/dbraw/zinc/45/59/71/554455971.db2.gz BGLINPOIAWINLB-UHFFFAOYSA-N -1 1 607.754 5.564 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000059881499 554456947 /nfs/dbraw/zinc/45/69/47/554456947.db2.gz HGYYZPFLXSEHMO-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000059882965 554459188 /nfs/dbraw/zinc/45/91/88/554459188.db2.gz URJXSVKXKDXNNC-UHFFFAOYSA-N -1 1 607.607 5.479 40 0 KKABMM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000059882944 554459231 /nfs/dbraw/zinc/45/92/31/554459231.db2.gz JRSZEGOZFXWORQ-VZUCSPMQSA-N -1 1 515.340 6.465 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000059883248 554459996 /nfs/dbraw/zinc/45/99/96/554459996.db2.gz VEXOMOPLJRDCIC-UHFFFAOYSA-N -1 1 591.755 6.062 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059883734 554461278 /nfs/dbraw/zinc/46/12/78/554461278.db2.gz GFGAQSIADWVSBJ-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059883968 554461396 /nfs/dbraw/zinc/46/13/96/554461396.db2.gz PGPGHPWHFZUHRV-UHFFFAOYSA-N -1 1 590.510 5.628 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000059883904 554461428 /nfs/dbraw/zinc/46/14/28/554461428.db2.gz XODHLNRVSWOOSB-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)S(C)(=O)=O)cc1C ZINC000059883920 554461527 /nfs/dbraw/zinc/46/15/27/554461527.db2.gz UQBKUTITHAVPQR-UHFFFAOYSA-N -1 1 613.761 6.476 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)cc2)c1 ZINC000059884262 554461968 /nfs/dbraw/zinc/46/19/68/554461968.db2.gz BFAXBLJWMPAWJI-UHFFFAOYSA-N -1 1 591.755 5.940 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059885071 554463898 /nfs/dbraw/zinc/46/38/98/554463898.db2.gz NPNJTTFQPDOEDX-UHFFFAOYSA-N -1 1 585.707 5.783 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(F)cc2)cc1 ZINC000059885525 554464791 /nfs/dbraw/zinc/46/47/91/554464791.db2.gz DATAYMNQLDDIOX-UHFFFAOYSA-N -1 1 581.691 5.386 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000059885642 554465010 /nfs/dbraw/zinc/46/50/10/554465010.db2.gz XQAPHRYTSDPIAY-XQNSMLJCSA-N -1 1 591.438 7.992 40 0 KKABMM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000059886178 554466264 /nfs/dbraw/zinc/46/62/64/554466264.db2.gz RKRCTBPODOYZRG-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059886576 554466948 /nfs/dbraw/zinc/46/69/48/554466948.db2.gz KYBWQIJUSROGGH-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059886735 554467293 /nfs/dbraw/zinc/46/72/93/554467293.db2.gz TWNXEGSUWQDQIZ-UHFFFAOYSA-N -1 1 614.543 5.392 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cccc(Cl)c2C)cc1 ZINC000059887038 554467900 /nfs/dbraw/zinc/46/79/00/554467900.db2.gz GYKGIEGCZQYKHY-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059887387 554468622 /nfs/dbraw/zinc/46/86/22/554468622.db2.gz OFKBZDUFFNXAJU-UHFFFAOYSA-N -1 1 623.753 5.264 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059888479 554471309 /nfs/dbraw/zinc/47/13/09/554471309.db2.gz JQRZYMYZUWUIRR-UHFFFAOYSA-N -1 1 628.172 5.909 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000059888503 554471375 /nfs/dbraw/zinc/47/13/75/554471375.db2.gz PJBDEJJQJPXZBE-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c2)cc1 ZINC000059923133 554472954 /nfs/dbraw/zinc/47/29/54/554472954.db2.gz LNWAJQAJIRRTEU-UHFFFAOYSA-N -1 1 527.429 7.147 40 0 KKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059924550 554475541 /nfs/dbraw/zinc/47/55/41/554475541.db2.gz RCUXKEOZSNKNEE-RUZDIDTESA-N -1 1 562.997 7.109 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000060017996 554488812 /nfs/dbraw/zinc/48/88/12/554488812.db2.gz UTHMJMFYHPTFEN-UHFFFAOYSA-N -1 1 539.078 6.564 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060018127 554489217 /nfs/dbraw/zinc/48/92/17/554489217.db2.gz AUXSPLOSAIPNFA-JOCHJYFZSA-N -1 1 609.692 5.119 40 0 KKABMM Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000060018576 554489999 /nfs/dbraw/zinc/48/99/99/554489999.db2.gz JFGHPDXBWHHGQM-UHFFFAOYSA-N -1 1 541.673 6.598 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000060028186 554490761 /nfs/dbraw/zinc/49/07/61/554490761.db2.gz FLQYHCWPGNKXKX-UHFFFAOYSA-N -1 1 610.928 6.501 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000060028169 554490907 /nfs/dbraw/zinc/49/09/07/554490907.db2.gz XYFOPBVXEZUPHA-UHFFFAOYSA-N -1 1 559.463 5.843 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000060028309 554492011 /nfs/dbraw/zinc/49/20/11/554492011.db2.gz DCPUYGARGSUUAF-UHFFFAOYSA-N -1 1 551.590 6.321 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)c(Cl)c2)cc1 ZINC000060028808 554495591 /nfs/dbraw/zinc/49/55/91/554495591.db2.gz KXKLCRANQVXQKE-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)cc1 ZINC000060042878 554497031 /nfs/dbraw/zinc/49/70/31/554497031.db2.gz UAWJIZYDHQQWAS-UHFFFAOYSA-N -1 1 555.700 6.906 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000060060032 554498240 /nfs/dbraw/zinc/49/82/40/554498240.db2.gz KJBOGCJPMSSPIK-UHFFFAOYSA-N -1 1 553.990 5.244 40 0 KKABMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060060937 554501477 /nfs/dbraw/zinc/50/14/77/554501477.db2.gz JNHJJOXRFKUMJW-ZDUSSCGKSA-N -1 1 533.355 6.219 40 0 KKABMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1ccc(Cl)cc1Cl ZINC000100930909 554527151 /nfs/dbraw/zinc/52/71/51/554527151.db2.gz CQKHJPSJMNBZNB-NSOVKSMOSA-N -1 1 561.513 7.388 40 0 KKABMM COc1ccc(C(c2c(C)[n-]n(-c3ccc(Cl)c(Cl)c3)c2=O)c2c(C)[nH]n(-c3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000100982630 554547929 /nfs/dbraw/zinc/54/79/29/554547929.db2.gz SRXXFUYTEUWSFF-UHFFFAOYSA-N -1 1 604.321 7.888 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101166595 554661043 /nfs/dbraw/zinc/66/10/43/554661043.db2.gz WSGXYDUGBGMQTN-PKTNWEFCSA-N -1 1 500.595 5.624 40 0 KKABMM O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356432 554915401 /nfs/dbraw/zinc/91/54/01/554915401.db2.gz ZUJLBFGDGXOZQK-LBPRGKRZSA-N -1 1 513.168 5.192 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000102697345 555011893 /nfs/dbraw/zinc/01/18/93/555011893.db2.gz XRTRWZAHKQTWPE-LQWHRVPQSA-N -1 1 533.717 6.011 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102739114 555027696 /nfs/dbraw/zinc/02/76/96/555027696.db2.gz BOFLRWNUAIVPMS-OZNIXHKMSA-N -1 1 500.595 5.624 40 0 KKABMM COc1cccc(C(=O)[C@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N23)c1 ZINC000103520578 555425652 /nfs/dbraw/zinc/42/56/52/555425652.db2.gz SGSXNADEYJDAMK-UHLQNUQBSA-N -1 1 530.580 5.534 40 0 KKABMM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000103531940 555432241 /nfs/dbraw/zinc/43/22/41/555432241.db2.gz NSEJNWAPSCOJBY-YSGXDJDMSA-N -1 1 534.999 6.098 40 0 KKABMM O=C(Nc1ccc2oc(-c3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)ccc3[O-])nc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000103772949 555475473 /nfs/dbraw/zinc/47/54/73/555475473.db2.gz LDZZHDACKPWIAN-UHFFFAOYSA-N -1 1 565.714 7.510 40 0 KKABMM O=c1[nH]c2c(cccc2-c2ccccc2)c(O)c1[C@H](c1cccc(Br)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000150343511 565201118 /nfs/dbraw/zinc/20/11/18/565201118.db2.gz DFWXIEXTXIJSGM-PMERELPUSA-N -1 1 641.521 7.853 40 0 biogenic,in-vitro KKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000104018059 571371328 /nfs/dbraw/zinc/37/13/28/571371328.db2.gz ONSHLQDEABEUGP-DEOSSOPVSA-N -1 1 529.445 6.744 40 0 KKABMM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000104018079 571371353 /nfs/dbraw/zinc/37/13/53/571371353.db2.gz VKDZHRZZMQQJGX-RUZDIDTESA-N -1 1 529.445 6.744 40 0 KKABMM CCOc1ccc(Nc2nc(C)c(C(=O)C=C([O-])C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)cc1 ZINC000104301565 571378737 /nfs/dbraw/zinc/37/87/37/571378737.db2.gz UNYWCWBPNYFLBE-UHFFFAOYSA-N -1 1 525.936 6.047 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc([O-])c(Br)c3)sc2=N1 ZINC000104677310 571385463 /nfs/dbraw/zinc/38/54/63/571385463.db2.gz AGNOHGFCFXSDBS-GJFKPFFXSA-N -1 1 569.521 5.170 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000105263415 571392459 /nfs/dbraw/zinc/39/24/59/571392459.db2.gz PRTSBVXIFRTNHR-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM COc1c(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)c([O-])c2)cc2ccccc2c1Br ZINC000105308853 571395412 /nfs/dbraw/zinc/39/54/12/571395412.db2.gz GKBQSAJVNAEWGX-UHFFFAOYSA-N -1 1 590.499 7.375 40 0 KKABMM O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000105309864 571395730 /nfs/dbraw/zinc/39/57/30/571395730.db2.gz POCRYOPZDUQQEJ-JXMROGBWSA-N -1 1 550.423 7.294 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4sc5cc(Cl)ccc5c4Cl)cc3[O-])oc2c1 ZINC000105310391 571395966 /nfs/dbraw/zinc/39/59/66/571395966.db2.gz RVYRBSVSULPPCI-UHFFFAOYSA-N -1 1 528.442 7.157 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(I)cc4)cc3[O-])oc2c(C)c1 ZINC000105310416 571396048 /nfs/dbraw/zinc/39/60/48/571396048.db2.gz OJXOZILTEVISNU-UHFFFAOYSA-N -1 1 543.386 5.549 40 0 KKABMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1Br ZINC000105310357 571396065 /nfs/dbraw/zinc/39/60/65/571396065.db2.gz USHLWFSYYZWETB-UHFFFAOYSA-N -1 1 526.412 5.797 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3[O-])oc2c(C)c1 ZINC000105310455 571396145 /nfs/dbraw/zinc/39/61/45/571396145.db2.gz BQRMSHJULJKLSR-UHFFFAOYSA-N -1 1 532.021 7.166 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Br)cccc45)cc3[O-])oc2c(C)c1 ZINC000105310459 571396153 /nfs/dbraw/zinc/39/61/53/571396153.db2.gz MZJISOJMWXTNEU-UHFFFAOYSA-N -1 1 546.446 6.860 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4I)cc3[O-])nc2c1 ZINC000105310543 571396195 /nfs/dbraw/zinc/39/61/95/571396195.db2.gz AXWLLOUOMLJDOJ-UHFFFAOYSA-N -1 1 543.386 5.494 40 0 KKABMM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000106701866 571414599 /nfs/dbraw/zinc/41/45/99/571414599.db2.gz RFOYWTCUMHTPMF-DHDCSXOGSA-N -1 1 527.234 5.861 40 0 KKABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000106444289 571412622 /nfs/dbraw/zinc/41/26/22/571412622.db2.gz DGXPPJCGNCFUIB-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)cc1 ZINC000106496284 571412815 /nfs/dbraw/zinc/41/28/15/571412815.db2.gz MIFHSEBOQZVCID-UHFFFAOYSA-N -1 1 579.700 5.474 40 0 KKABMM O=C1S/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000106686955 571413775 /nfs/dbraw/zinc/41/37/75/571413775.db2.gz UFUBXYHANPYMAV-NSIKDUERSA-N -1 1 550.599 5.649 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1C ZINC000223034494 571423951 /nfs/dbraw/zinc/42/39/51/571423951.db2.gz BDDDPEWQYDBCIE-UHFFFAOYSA-N -1 1 510.666 5.500 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000109060166 571428270 /nfs/dbraw/zinc/42/82/70/571428270.db2.gz FOAOSOMFXSRXIM-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000109107185 571428424 /nfs/dbraw/zinc/42/84/24/571428424.db2.gz KRMXTUYHUCMZAR-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3[O-])nc2c1 ZINC000109677252 571429641 /nfs/dbraw/zinc/42/96/41/571429641.db2.gz IJYIBCONMRPFTP-UHFFFAOYSA-N -1 1 542.573 6.619 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1I ZINC000109719206 571429865 /nfs/dbraw/zinc/42/98/65/571429865.db2.gz QHXFJNXVVKIBPR-UHFFFAOYSA-N -1 1 557.207 5.107 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000109924127 571430235 /nfs/dbraw/zinc/43/02/35/571430235.db2.gz FXFCSHJZPVCBGM-UHFFFAOYSA-N -1 1 597.690 5.168 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1 ZINC000110193788 571430898 /nfs/dbraw/zinc/43/08/98/571430898.db2.gz LJWPLRNWJHIVBE-UHFFFAOYSA-N -1 1 565.673 5.248 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)ccc2C)c1 ZINC000110284774 571431017 /nfs/dbraw/zinc/43/10/17/571431017.db2.gz YWVSCWNGGLOKSL-UHFFFAOYSA-N -1 1 530.715 7.266 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)cc1Cl ZINC000110370304 571431263 /nfs/dbraw/zinc/43/12/63/571431263.db2.gz CRSCUIJAOYAOLI-UHFFFAOYSA-N -1 1 597.329 5.506 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c(OC)c1OC ZINC000110484123 571431346 /nfs/dbraw/zinc/43/13/46/571431346.db2.gz KHAWTWBEUVHETM-WLRTZDKTSA-N -1 1 570.973 5.837 40 0 KKABMM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000112249844 571436377 /nfs/dbraw/zinc/43/63/77/571436377.db2.gz AQNJYAHSWAOKFB-UHFFFAOYSA-N -1 1 526.964 6.266 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000112256886 571437560 /nfs/dbraw/zinc/43/75/60/571437560.db2.gz GBFYHMXYWUPLGI-UHFFFAOYSA-N -1 1 592.139 5.131 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000113511156 571439416 /nfs/dbraw/zinc/43/94/16/571439416.db2.gz UEQDVTYLZBBSIH-UHFFFAOYSA-N -1 1 539.412 6.143 40 0 KKABMM CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1)c1ccccc1F ZINC000113516194 571439779 /nfs/dbraw/zinc/43/97/79/571439779.db2.gz ZQRHFUMHHNLGMH-UHFFFAOYSA-N -1 1 617.124 5.345 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1Cl ZINC000113620511 571440984 /nfs/dbraw/zinc/44/09/84/571440984.db2.gz NMHXKTKUJAEJRB-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)c1 ZINC000113639298 571442298 /nfs/dbraw/zinc/44/22/98/571442298.db2.gz KFPRISFZTUZXRB-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)c(Cl)c2)cc1 ZINC000223188895 571442702 /nfs/dbraw/zinc/44/27/02/571442702.db2.gz IRQZCPIGKHKYQR-UHFFFAOYSA-N -1 1 519.435 5.873 40 0 KKABMM CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c2ccccc2O1 ZINC000223225340 571447441 /nfs/dbraw/zinc/44/74/41/571447441.db2.gz RGRJBFJQPVHXEX-VWLOTQADSA-N -1 1 506.668 6.225 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OCCSc4ccccc4)cc3)cc2)cc1Cl ZINC000139726918 571453797 /nfs/dbraw/zinc/45/37/97/571453797.db2.gz RRFFDOJJDHHKST-UHFFFAOYSA-N -1 1 553.105 6.873 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2C)cc1 ZINC000140096720 571454986 /nfs/dbraw/zinc/45/49/86/571454986.db2.gz XDSAJMGPRDNOBO-UHFFFAOYSA-N -1 1 540.685 6.885 40 0 KKABMM CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)c2)cc1 ZINC000140346333 571455466 /nfs/dbraw/zinc/45/54/66/571455466.db2.gz GBBZORNEHXGMAB-UHFFFAOYSA-N -1 1 547.076 6.922 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(Cl)c2)cc1 ZINC000140350531 571455656 /nfs/dbraw/zinc/45/56/56/571455656.db2.gz SFAUGFLOBMHNRT-UHFFFAOYSA-N -1 1 527.429 7.147 40 0 KKABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000140359616 571455663 /nfs/dbraw/zinc/45/56/63/571455663.db2.gz SYJADBHHIVWXIV-UHFFFAOYSA-N -1 1 529.039 6.042 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2C)cc1 ZINC000223306686 571458463 /nfs/dbraw/zinc/45/84/63/571458463.db2.gz BBYJHYWTGQMPEC-UHFFFAOYSA-N -1 1 510.666 5.500 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000150409160 571481372 /nfs/dbraw/zinc/48/13/72/571481372.db2.gz RTXDMAHFQUVWJI-UHFFFAOYSA-N -1 1 631.003 5.937 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000150411340 571483718 /nfs/dbraw/zinc/48/37/18/571483718.db2.gz MLOYTENQICALAQ-UHFFFAOYSA-N -1 1 650.528 5.994 40 0 KKABMM O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000150425395 571489672 /nfs/dbraw/zinc/48/96/72/571489672.db2.gz MRLMUHHPORONNQ-UHFFFAOYSA-N -1 1 716.159 7.786 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000150425406 571489733 /nfs/dbraw/zinc/48/97/33/571489733.db2.gz TUOJCXOKJKKKPG-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000150429655 571493040 /nfs/dbraw/zinc/49/30/40/571493040.db2.gz OXIAQWWMBCMFGB-KRWDZBQOSA-N -1 1 661.427 5.737 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000150431188 571493488 /nfs/dbraw/zinc/49/34/88/571493488.db2.gz PQFPUAHTIBBCEQ-UHFFFAOYSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)cc2)cc1Cl ZINC000150432028 571493913 /nfs/dbraw/zinc/49/39/13/571493913.db2.gz KALMXUYUXJEKRP-GOSISDBHSA-N -1 1 631.003 5.937 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)cc1Cl ZINC000150432426 571494153 /nfs/dbraw/zinc/49/41/53/571494153.db2.gz QHJWHXFWGZQRFJ-HHHXNRCGSA-N -1 1 632.547 5.698 40 0 KKABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1Cl ZINC000224269066 571510349 /nfs/dbraw/zinc/51/03/49/571510349.db2.gz IDXPRQFTBXTCAE-UHFFFAOYSA-N -1 1 501.004 5.477 40 0 KKABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000150588131 571522023 /nfs/dbraw/zinc/52/20/23/571522023.db2.gz FMLBHCFTIRRXNC-UHFFFAOYSA-N -1 1 630.970 5.097 40 0 KKABMM COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000163247106 571534083 /nfs/dbraw/zinc/53/40/83/571534083.db2.gz UZPHCQNKCQMUPH-ITIZVALFSA-N -1 1 718.354 5.242 40 0 KKABMM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000163247360 571534089 /nfs/dbraw/zinc/53/40/89/571534089.db2.gz SLEDUEJBJYSWSE-PLQXQRLBSA-N -1 1 671.354 5.400 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000197823067 571564692 /nfs/dbraw/zinc/56/46/92/571564692.db2.gz BFHJBGYEOWHNHQ-UHFFFAOYSA-N -1 1 683.433 6.699 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000197821828 571564741 /nfs/dbraw/zinc/56/47/41/571564741.db2.gz LYAJJSYRIPQJFU-UHFFFAOYSA-N -1 1 664.987 5.746 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000197821663 571564785 /nfs/dbraw/zinc/56/47/85/571564785.db2.gz IGLTYPUZMSYESS-UHFFFAOYSA-N -1 1 654.088 6.002 40 0 KKABMM O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000197822711 571564855 /nfs/dbraw/zinc/56/48/55/571564855.db2.gz RWVORYGRWRFWBJ-UHFFFAOYSA-N -1 1 674.122 7.147 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000197826337 571565179 /nfs/dbraw/zinc/56/51/79/571565179.db2.gz XQORZEXEMUIZBO-UHFFFAOYSA-N -1 1 644.569 5.401 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000197826829 571565255 /nfs/dbraw/zinc/56/52/55/571565255.db2.gz DXEMKJFTEURKSI-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000197828235 571565451 /nfs/dbraw/zinc/56/54/51/571565451.db2.gz QVEZDLHLQYTIDB-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000197831100 571565656 /nfs/dbraw/zinc/56/56/56/571565656.db2.gz CQHKPMZPKDLBPP-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(C)cc2)cc1 ZINC000197830437 571565696 /nfs/dbraw/zinc/56/56/96/571565696.db2.gz RIYGJPMUVNOTKB-UHFFFAOYSA-N -1 1 658.596 5.791 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(Cl)cc2C)cc1 ZINC000197830684 571565769 /nfs/dbraw/zinc/56/57/69/571565769.db2.gz DPHZNNPFJBHWCD-UHFFFAOYSA-N -1 1 634.179 6.745 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000197851966 571565937 /nfs/dbraw/zinc/56/59/37/571565937.db2.gz NEWBWXLXWYZOGU-UHFFFAOYSA-N -1 1 626.982 5.084 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(Cl)cc2)cc1 ZINC000198310043 571566910 /nfs/dbraw/zinc/56/69/10/571566910.db2.gz PMXPFSZZOAOLQN-UHFFFAOYSA-N -1 1 688.533 6.656 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000198311936 571566934 /nfs/dbraw/zinc/56/69/34/571566934.db2.gz LHXHSJSZIYIMBR-UHFFFAOYSA-N -1 1 644.569 5.401 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000198316410 571567611 /nfs/dbraw/zinc/56/76/11/571567611.db2.gz RQNGNVVYIILBKT-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1OC ZINC000198316961 571567650 /nfs/dbraw/zinc/56/76/50/571567650.db2.gz NENOZPYHQGXBED-UHFFFAOYSA-N -1 1 698.141 6.319 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198317847 571567653 /nfs/dbraw/zinc/56/76/53/571567653.db2.gz OONXXIBJZHFTFG-UHFFFAOYSA-N -1 1 668.115 6.311 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000198320653 571567757 /nfs/dbraw/zinc/56/77/57/571567757.db2.gz OKWGZNMUXIJYDM-UHFFFAOYSA-N -1 1 630.144 5.300 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000215921546 571587775 /nfs/dbraw/zinc/58/77/75/571587775.db2.gz BADFMHCFYJYICX-UHFFFAOYSA-N -1 1 581.638 5.074 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000215929449 571588226 /nfs/dbraw/zinc/58/82/26/571588226.db2.gz YFEVYMXDLDRSEZ-UHFFFAOYSA-N -1 1 610.035 6.213 40 0 KKABMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000215962180 571589610 /nfs/dbraw/zinc/58/96/10/571589610.db2.gz AIBCVSRGFUAGLK-HXUWFJFHSA-N -1 1 523.836 5.699 40 0 KKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000215967566 571589777 /nfs/dbraw/zinc/58/97/77/571589777.db2.gz YRLPQVKFSOXQQU-NRFANRHFSA-N -1 1 539.904 6.413 40 0 KKABMM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cccc(C)c4C)c3)cc2)n1 ZINC000215975354 571590250 /nfs/dbraw/zinc/59/02/50/571590250.db2.gz GEWUBTYDUQTBGI-UHFFFAOYSA-N -1 1 600.122 5.218 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215975438 571590262 /nfs/dbraw/zinc/59/02/62/571590262.db2.gz JPKVOBYQHHNHJI-UHFFFAOYSA-N -1 1 542.038 5.194 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)cc1C ZINC000216132471 571593254 /nfs/dbraw/zinc/59/32/54/571593254.db2.gz MTFLRIIEJKFXRP-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)cc1Cl ZINC000216219824 571593577 /nfs/dbraw/zinc/59/35/77/571593577.db2.gz YRDHUUKBWXFWAA-UHFFFAOYSA-N -1 1 641.009 5.392 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000216414120 571596029 /nfs/dbraw/zinc/59/60/29/571596029.db2.gz SVLPRAGUCMCAJX-UHFFFAOYSA-N -1 1 641.009 5.392 40 0 KKABMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000224986126 571636526 /nfs/dbraw/zinc/63/65/26/571636526.db2.gz ZLNFXKFTBDRZFX-UHFFFAOYSA-N -1 1 523.836 5.699 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225070638 571643994 /nfs/dbraw/zinc/64/39/94/571643994.db2.gz KOZWFQFQKJOLBU-UHFFFAOYSA-N -1 1 514.228 6.117 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1C(=O)N1CCCCCC1 ZINC000225160310 571653273 /nfs/dbraw/zinc/65/32/73/571653273.db2.gz DSQXAJQOIYVGOG-UHFFFAOYSA-N -1 1 519.714 5.183 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000225475579 571845667 /nfs/dbraw/zinc/84/56/67/571845667.db2.gz KZRMZPPSJMQTFJ-DQEYMECFSA-N -1 1 588.542 5.736 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000225475651 571845773 /nfs/dbraw/zinc/84/57/73/571845773.db2.gz KZRMZPPSJMQTFJ-LOSJGSFVSA-N -1 1 588.542 5.736 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000225488483 571859383 /nfs/dbraw/zinc/85/93/83/571859383.db2.gz INIVEONKWOQHTR-FTJBHMTQSA-N -1 1 568.124 5.391 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225490472 571860354 /nfs/dbraw/zinc/86/03/54/571860354.db2.gz YOQITVJVNFNJSY-JWQCQUIFSA-N -1 1 599.532 5.661 40 0 KKABMM CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)cc1 ZINC000225490773 571860870 /nfs/dbraw/zinc/86/08/70/571860870.db2.gz AEEPHPZIGBULQW-SVBPBHIXSA-N -1 1 564.689 5.298 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225783241 572067427 /nfs/dbraw/zinc/06/74/27/572067427.db2.gz XOCWWDMDVUGPJO-UHFFFAOYSA-N -1 1 556.834 5.170 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225783005 572067390 /nfs/dbraw/zinc/06/73/90/572067390.db2.gz NKSRODBGPYPHIC-UHFFFAOYSA-N -1 1 523.035 6.358 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225786031 572068194 /nfs/dbraw/zinc/06/81/94/572068194.db2.gz XGRVLFFVYJAUBE-UHFFFAOYSA-N -1 1 565.160 7.033 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1N1CCCC1=O ZINC000225806137 572072606 /nfs/dbraw/zinc/07/26/06/572072606.db2.gz IUAFSJZGXAKYHU-UHFFFAOYSA-N -1 1 528.055 5.001 40 0 KKABMM CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000226080316 572130257 /nfs/dbraw/zinc/13/02/57/572130257.db2.gz SNMFYJZIUMHKQO-UHFFFAOYSA-N -1 1 537.863 5.792 40 0 KKABMM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3Cl)c2)cs1 ZINC000226080429 572130412 /nfs/dbraw/zinc/13/04/12/572130412.db2.gz AOODWEXHNGQALH-UHFFFAOYSA-N -1 1 559.069 5.332 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCc1ccc(Cl)cc1Cl ZINC000408526714 572158239 /nfs/dbraw/zinc/15/82/39/572158239.db2.gz BWMPJEBGSFTRNF-UHFFFAOYSA-N -1 1 534.248 5.796 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Cl)c1Cl ZINC000408531084 572174500 /nfs/dbraw/zinc/17/45/00/572174500.db2.gz LZKDPRGLIHURLK-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1Br ZINC000408536162 572190371 /nfs/dbraw/zinc/19/03/71/572190371.db2.gz YKVLABDJPWUSCH-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3)ccc2C)c1 ZINC000408543448 572212736 /nfs/dbraw/zinc/21/27/36/572212736.db2.gz DMVAFNYCNOKOTJ-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000408544645 572216333 /nfs/dbraw/zinc/21/63/33/572216333.db2.gz IHGWSRVCKWAPIF-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408545375 572218461 /nfs/dbraw/zinc/21/84/61/572218461.db2.gz KYRQAOOKCVRAGY-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408545256 572218547 /nfs/dbraw/zinc/21/85/47/572218547.db2.gz JTYPPHGXAPSUCZ-UHFFFAOYSA-N -1 1 627.744 6.422 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000408545834 572220986 /nfs/dbraw/zinc/22/09/86/572220986.db2.gz OUMKKHQXTGXGGN-MUUNZHRXSA-N -1 1 582.103 6.069 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c1 ZINC000408545846 572220991 /nfs/dbraw/zinc/22/09/91/572220991.db2.gz AQPNKFMVBPOSFI-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c1)CCCC2 ZINC000408546187 572222013 /nfs/dbraw/zinc/22/20/13/572222013.db2.gz RGYBVICIOBOILR-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)c1C ZINC000408546083 572222020 /nfs/dbraw/zinc/22/20/20/572222020.db2.gz QLPIMVONJFAQKL-UHFFFAOYSA-N -1 1 507.837 6.081 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3)cc2)cc1 ZINC000408546096 572222209 /nfs/dbraw/zinc/22/22/09/572222209.db2.gz CFACBRQQLSLYAP-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1Cl ZINC000408546896 572224505 /nfs/dbraw/zinc/22/45/05/572224505.db2.gz HDCSNSVAVODWAG-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)cc1OC ZINC000408547522 572225679 /nfs/dbraw/zinc/22/56/79/572225679.db2.gz ZEPTUUCCENQHEC-UHFFFAOYSA-N -1 1 631.732 5.735 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2C)cc1 ZINC000408547748 572226743 /nfs/dbraw/zinc/22/67/43/572226743.db2.gz MGPXKJFKJOIZJG-QFIPXVFZSA-N -1 1 527.646 5.848 40 0 KKABMM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408547795 572227339 /nfs/dbraw/zinc/22/73/39/572227339.db2.gz NAGXYNDLBZEDCG-UHFFFAOYSA-N -1 1 533.861 6.459 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408548155 572228461 /nfs/dbraw/zinc/22/84/61/572228461.db2.gz PWKNXPHTDYDBSY-UHFFFAOYSA-N -1 1 632.135 5.821 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408555920 572243452 /nfs/dbraw/zinc/24/34/52/572243452.db2.gz BHHIXEDGZOOQET-UHFFFAOYSA-N -1 1 539.078 6.943 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408557422 572244889 /nfs/dbraw/zinc/24/48/89/572244889.db2.gz NHPUZNAZBDHUJQ-UHFFFAOYSA-N -1 1 577.873 7.257 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557665 572245162 /nfs/dbraw/zinc/24/51/62/572245162.db2.gz HDIUOSXGZZGFBU-UHFFFAOYSA-N -1 1 533.355 6.464 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000408558463 572245803 /nfs/dbraw/zinc/24/58/03/572245803.db2.gz JCJSWROKZQKKOQ-UHFFFAOYSA-N -1 1 557.455 6.391 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000408584835 572265934 /nfs/dbraw/zinc/26/59/34/572265934.db2.gz VQYXFRQZRYMZML-UHFFFAOYSA-N -1 1 541.456 6.079 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(Cl)c4)cc3)ccc21 ZINC000408594907 572269925 /nfs/dbraw/zinc/26/99/25/572269925.db2.gz RCRQBVZZFPQDFS-UHFFFAOYSA-N -1 1 568.482 6.940 40 0 KKABMM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1C ZINC000408595120 572270239 /nfs/dbraw/zinc/27/02/39/572270239.db2.gz TXTDOLPAAZEVAR-UHFFFAOYSA-N -1 1 512.937 5.794 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(F)cc1F ZINC000408600372 572272556 /nfs/dbraw/zinc/27/25/56/572272556.db2.gz AJXHPHUIJIHOSA-UHFFFAOYSA-N -1 1 520.863 5.455 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000408601363 572272788 /nfs/dbraw/zinc/27/27/88/572272788.db2.gz FZSJTVAMNXQDEO-UHFFFAOYSA-N -1 1 576.980 6.969 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1c(F)cccc1F ZINC000408601771 572272982 /nfs/dbraw/zinc/27/29/82/572272982.db2.gz HEVGSCHJXSVKKC-UHFFFAOYSA-N -1 1 520.863 5.455 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408602048 572273140 /nfs/dbraw/zinc/27/31/40/572273140.db2.gz BZWCFKDUFYGTNN-UHFFFAOYSA-N -1 1 510.493 6.658 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3Cl)ccc21 ZINC000408606231 572274746 /nfs/dbraw/zinc/27/47/46/572274746.db2.gz OHGSAFNVNVUJFS-UHFFFAOYSA-N -1 1 602.034 7.305 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c1)CCC2 ZINC000408608628 572275535 /nfs/dbraw/zinc/27/55/35/572275535.db2.gz OHPORSDMEYJRIW-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000408608643 572275663 /nfs/dbraw/zinc/27/56/63/572275663.db2.gz RRMREPGGJQYMPG-UHFFFAOYSA-N -1 1 514.909 5.186 40 0 KKABMM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)CC1 ZINC000408609391 572275749 /nfs/dbraw/zinc/27/57/49/572275749.db2.gz SUETZLMWUIRGOY-UHFFFAOYSA-N -1 1 602.462 5.849 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000408610036 572275997 /nfs/dbraw/zinc/27/59/97/572275997.db2.gz UMZISVLHLODWIT-UHFFFAOYSA-N -1 1 508.983 5.951 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1OC ZINC000408612089 572276777 /nfs/dbraw/zinc/27/67/77/572276777.db2.gz UFDUSEUMNDKBSG-UHFFFAOYSA-N -1 1 573.671 5.038 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c1 ZINC000408612815 572277027 /nfs/dbraw/zinc/27/70/27/572277027.db2.gz YYHIKFGTBCPMNL-UHFFFAOYSA-N -1 1 514.909 5.186 40 0 KKABMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c1)CCC2 ZINC000408613200 572277156 /nfs/dbraw/zinc/27/71/56/572277156.db2.gz VUBCXQZNVWEJAN-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2C)cc1 ZINC000408620977 572281339 /nfs/dbraw/zinc/28/13/39/572281339.db2.gz KPACAFKVZSDDMD-UHFFFAOYSA-N -1 1 517.573 5.085 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2C)c1 ZINC000408624453 572283078 /nfs/dbraw/zinc/28/30/78/572283078.db2.gz QHOHLQVYQYYIQS-UHFFFAOYSA-N -1 1 531.600 5.394 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408627522 572284501 /nfs/dbraw/zinc/28/45/01/572284501.db2.gz NLRSMWJHGAFHIU-UHFFFAOYSA-N -1 1 544.938 7.311 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408631705 572287938 /nfs/dbraw/zinc/28/79/38/572287938.db2.gz ASZQDNQSJWFDPB-UUYOSTAYSA-N -1 1 562.862 7.237 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n1 ZINC000408631829 572287979 /nfs/dbraw/zinc/28/79/79/572287979.db2.gz LZUHJYIKHLDPNI-AFPJDJCSSA-N -1 1 671.784 8.008 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)[O-])n1 ZINC000408631885 572288220 /nfs/dbraw/zinc/28/82/20/572288220.db2.gz MUZXDTUQTDAZPK-ODLFYWEKSA-N -1 1 532.803 6.374 40 0 KKABMM Cc1ccc(-n2c(-c3ccccc3)cc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])c2-c2ccccc2)cc1 ZINC000408632020 572288316 /nfs/dbraw/zinc/28/83/16/572288316.db2.gz CPZWDWRJURBFAH-OFWBYEQRSA-N -1 1 589.120 8.776 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408632173 572288448 /nfs/dbraw/zinc/28/84/48/572288448.db2.gz HSXUOGVCTNPKDG-VROXFSQNSA-N -1 1 588.469 6.601 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)C(=O)[O-])n1 ZINC000408632139 572288457 /nfs/dbraw/zinc/28/84/57/572288457.db2.gz NSPVZSRAWFFUOA-NYAPKIOYSA-N -1 1 671.784 8.008 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)[O-])n1 ZINC000408632296 572288616 /nfs/dbraw/zinc/28/86/16/572288616.db2.gz PUFVGWBEIAPGEY-CFRMEGHHSA-N -1 1 517.010 6.355 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)[O-])n1 ZINC000408632611 572288946 /nfs/dbraw/zinc/28/89/46/572288946.db2.gz RZUXMKCDIIAJQP-JJFYIABZSA-N -1 1 607.313 7.346 40 0 KKABMM O=C([O-])C(=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632638 572289083 /nfs/dbraw/zinc/28/90/83/572289083.db2.gz GFZGBBMIXROPIN-UKWGHVSLSA-N -1 1 784.628 8.438 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000408632892 572289410 /nfs/dbraw/zinc/28/94/10/572289410.db2.gz KWXOQWRCCHSAGC-MXAYSNPKSA-N -1 1 533.606 5.684 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)[O-])n1 ZINC000408633046 572289679 /nfs/dbraw/zinc/28/96/79/572289679.db2.gz VKBMIMORECNXIS-JJFYIABZSA-N -1 1 562.862 7.237 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)[O-])n1 ZINC000408633361 572290108 /nfs/dbraw/zinc/29/01/08/572290108.db2.gz XXYFIYVRFHUAEC-UUYOSTAYSA-N -1 1 511.962 6.070 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccccc4F)cc3)C(=O)[O-])n2)c1 ZINC000408633450 572290213 /nfs/dbraw/zinc/29/02/13/572290213.db2.gz NCACEKPMKAQMHY-KSEXSDGBSA-N -1 1 507.543 5.425 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000408633476 572290245 /nfs/dbraw/zinc/29/02/45/572290245.db2.gz YWGSODCWOLHXQM-QFEZKATASA-N -1 1 565.482 7.316 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408633508 572290263 /nfs/dbraw/zinc/29/02/63/572290263.db2.gz NRFFGFZDTKPYKB-OPVMPGTRSA-N -1 1 588.469 6.601 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000408633563 572290308 /nfs/dbraw/zinc/29/03/08/572290308.db2.gz KOIIXEXPLVUYSS-XKZIYDEJSA-N -1 1 511.962 6.070 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(OC)c(OCc4ccc(Cl)cc4Cl)cc3Br)C(=O)[O-])n2)c1 ZINC000408633823 572290695 /nfs/dbraw/zinc/29/06/95/572290695.db2.gz PUDSRSXTMUWGED-OPVMPGTRSA-N -1 1 667.365 7.364 40 0 KKABMM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(I)c(O)c(I)c2)C(=O)[O-])o1 ZINC000408633974 572290854 /nfs/dbraw/zinc/29/08/54/572290854.db2.gz QNUGJPSBCUPMLD-NSIKDUERSA-N -1 1 656.623 5.531 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634039 572290988 /nfs/dbraw/zinc/29/09/88/572290988.db2.gz RHNJPPMXPWZMJZ-RMORIDSASA-N -1 1 679.920 6.552 40 0 KKABMM CCn1c(S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408634475 572291500 /nfs/dbraw/zinc/29/15/00/572291500.db2.gz VBASIHRLOARYBH-IUXPMGMMSA-N -1 1 540.823 5.322 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634863 572291963 /nfs/dbraw/zinc/29/19/63/572291963.db2.gz XJAYJICNZAJZGC-KSEXSDGBSA-N -1 1 598.475 6.057 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(=O)[O-])n2)c1 ZINC000408634901 572291967 /nfs/dbraw/zinc/29/19/67/572291967.db2.gz XTRUWIAKDSMLMV-KSEXSDGBSA-N -1 1 507.543 5.425 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[O-])n1 ZINC000408635055 572292053 /nfs/dbraw/zinc/29/20/53/572292053.db2.gz YHXIMAMVHPISRH-ZDLGFXPLSA-N -1 1 522.797 6.918 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635176 572292323 /nfs/dbraw/zinc/29/23/23/572292323.db2.gz XOYOVTGQWCGQFO-MTJSOVHGSA-N -1 1 577.287 7.338 40 0 KKABMM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635952 572292937 /nfs/dbraw/zinc/29/29/37/572292937.db2.gz KIEFHWGJBJGWHC-UHFFFAOYSA-N -1 1 507.439 6.244 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000408636539 572293430 /nfs/dbraw/zinc/29/34/30/572293430.db2.gz RVISPMNOGOPUEX-UHFFFAOYSA-N -1 1 541.456 6.079 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000408677338 572319128 /nfs/dbraw/zinc/31/91/28/572319128.db2.gz CSECUTCAJLXOAQ-UHFFFAOYSA-N -1 1 650.528 5.994 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000408678976 572320148 /nfs/dbraw/zinc/32/01/48/572320148.db2.gz LRLMOPBVSJETCB-UHFFFAOYSA-N -1 1 616.083 5.340 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000408680302 572321040 /nfs/dbraw/zinc/32/10/40/572321040.db2.gz QSVUPMLWKBXBGK-UHFFFAOYSA-N -1 1 600.521 5.114 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000408680867 572321356 /nfs/dbraw/zinc/32/13/56/572321356.db2.gz SAOKATPPJLCOBL-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccccc2Br)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423079 1069717359 /nfs/dbraw/zinc/71/73/59/1069717359.db2.gz QZDYJLVUDCNNTK-UHFFFAOYSA-N -1 1 581.470 7.289 40 0 KKABMM CCOC(=O)c1ccc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)cc1 ZINC000108423071 1069717893 /nfs/dbraw/zinc/71/78/93/1069717893.db2.gz TVBBWNJJKSUBGB-UHFFFAOYSA-N -1 1 574.637 6.703 40 0 KKABMM CCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000108423266 1069719367 /nfs/dbraw/zinc/71/93/67/1069719367.db2.gz XBXCXFXDGWIXJB-UHFFFAOYSA-N -1 1 552.675 6.844 40 0 KKABMM COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OCc1ccccc1Cl ZINC000108423352 1069720114 /nfs/dbraw/zinc/72/01/14/1069720114.db2.gz QGBXMSUXNIPDDW-UHFFFAOYSA-N -1 1 607.110 7.507 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1)c1cccc(Cl)c1 ZINC000408712303 1069735666 /nfs/dbraw/zinc/73/56/66/1069735666.db2.gz JXOGPMLOJNBYFC-UHFFFAOYSA-N -1 1 648.988 6.122 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714999 1069735730 /nfs/dbraw/zinc/73/57/30/1069735730.db2.gz UWGVNBKHIANITF-UHFFFAOYSA-N -1 1 599.678 5.265 40 0 KKABMM C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Br)cc(I)c2[O-])SC1Nc1ccccc1 ZINC000408809412 1069742456 /nfs/dbraw/zinc/74/24/56/1069742456.db2.gz NZYXQLLSILJKMQ-NQUKFLFOSA-N -1 1 598.324 6.813 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000409179111 1069796822 /nfs/dbraw/zinc/79/68/22/1069796822.db2.gz KEHSKOQXTNOIBN-UHFFFAOYSA-N -1 1 529.898 6.628 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000408920802 1070227327 /nfs/dbraw/zinc/22/73/27/1070227327.db2.gz NNRPVECVLCHYMP-UHFFFAOYSA-N -1 1 576.911 5.161 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000408926060 1070237804 /nfs/dbraw/zinc/23/78/04/1070237804.db2.gz WWZUCPUPWPQVRN-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408925302 1070236738 /nfs/dbraw/zinc/23/67/38/1070236738.db2.gz OVSKMKYEYQQAQW-UHFFFAOYSA-N -1 1 510.965 6.709 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000408925460 1070236762 /nfs/dbraw/zinc/23/67/62/1070236762.db2.gz TYBMTOKTUJMGDN-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408926158 1070238445 /nfs/dbraw/zinc/23/84/45/1070238445.db2.gz PPLZAPNPGIJVFI-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(Cl)cc2C)cc1 ZINC000408924603 1070242887 /nfs/dbraw/zinc/24/28/87/1070242887.db2.gz KQDPTVYRKSEEQM-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408996122 1070365105 /nfs/dbraw/zinc/36/51/05/1070365105.db2.gz OEXXRDDPQDXHIB-GLSAMTQTSA-N -1 1 780.447 5.572 40 0 KKABMM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Br)c3)C2=O)ccc1Cl ZINC000409155095 1070578917 /nfs/dbraw/zinc/57/89/17/1070578917.db2.gz BOQWEPJFVGICCT-GIJQJNRQSA-N -1 1 553.818 5.050 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)cc2)cc1Cl ZINC000409172121 1070587808 /nfs/dbraw/zinc/58/78/08/1070587808.db2.gz HZCPLGJMYFELMQ-KOEQRZSOSA-N -1 1 537.468 7.282 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4CCc4ccccc4)cc3)cc2)c1 ZINC000409177067 1070591977 /nfs/dbraw/zinc/59/19/77/1070591977.db2.gz CASSEAWYBZGGKR-HKBQPEDESA-N -1 1 571.724 5.865 40 0 KKABMM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409190103 1070606917 /nfs/dbraw/zinc/60/69/17/1070606917.db2.gz WJBYBPPTLROQKN-MFOYZWKCSA-N -1 1 510.797 5.334 40 0 KKABMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409190103 1070606923 /nfs/dbraw/zinc/60/69/23/1070606923.db2.gz WJBYBPPTLROQKN-MFOYZWKCSA-N -1 1 510.797 5.334 40 0 KKABMM COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000409214575 1070637938 /nfs/dbraw/zinc/63/79/38/1070637938.db2.gz WEJIJINPVDVTKX-WUXMJOGZSA-N -1 1 519.598 5.820 40 0 KKABMM COc1ccc(OC)c(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCCC5)cc2OC)c1 ZINC000409337439 1070859389 /nfs/dbraw/zinc/85/93/89/1070859389.db2.gz UCLWAZWATYHHKW-UHFFFAOYSA-N -1 1 506.624 6.328 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000409350387 1070868092 /nfs/dbraw/zinc/86/80/92/1070868092.db2.gz RIBYFMYYOLBRHS-UHFFFAOYSA-N -1 1 570.092 5.527 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409369104 1070892294 /nfs/dbraw/zinc/89/22/94/1070892294.db2.gz CKVDCDOCOSOVKE-UHFFFAOYSA-N -1 1 634.567 8.985 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409411195 1070921506 /nfs/dbraw/zinc/92/15/06/1070921506.db2.gz UMCDVAXWLFLAJV-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408922739 1071090102 /nfs/dbraw/zinc/09/01/02/1071090102.db2.gz RSAUZUIVRQIJOH-UHFFFAOYSA-N -1 1 514.909 5.186 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccccc2)cc1 ZINC000408921828 1071093167 /nfs/dbraw/zinc/09/31/67/1071093167.db2.gz YAZOQQZAQVPCCE-UHFFFAOYSA-N -1 1 601.706 5.483 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1Br ZINC000408921150 1071096389 /nfs/dbraw/zinc/09/63/89/1071096389.db2.gz FIRHSVBITVQTME-UHFFFAOYSA-N -1 1 565.389 5.078 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408920446 1071105031 /nfs/dbraw/zinc/10/50/31/1071105031.db2.gz HWMACSFABMDFID-UHFFFAOYSA-N -1 1 607.754 5.645 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000408920230 1071105929 /nfs/dbraw/zinc/10/59/29/1071105929.db2.gz CHLFMZAGJWPQKC-UHFFFAOYSA-N -1 1 698.141 6.319 40 0 KKABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)CC2)cc1 ZINC000408681854 1071372499 /nfs/dbraw/zinc/37/24/99/1071372499.db2.gz ZUSYIVVIXDGOIN-UHFFFAOYSA-N -1 1 624.604 5.011 40 0 KKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408681539 1071373679 /nfs/dbraw/zinc/37/36/79/1071373679.db2.gz XFJVZOPRJUNVNO-OAHLLOKOSA-N -1 1 512.937 5.874 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000408695766 1071383157 /nfs/dbraw/zinc/38/31/57/1071383157.db2.gz YUVIAKDFAUZUSQ-OAHLLOKOSA-N -1 1 608.085 5.261 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000408695107 1071385023 /nfs/dbraw/zinc/38/50/23/1071385023.db2.gz PKRRLPIXANEJHD-UHFFFAOYSA-N -1 1 616.976 5.628 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000408694148 1071388924 /nfs/dbraw/zinc/38/89/24/1071388924.db2.gz CTEKNZUNTDMLDG-UHFFFAOYSA-N -1 1 616.976 5.628 40 0 KKABMM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000408694103 1071388852 /nfs/dbraw/zinc/38/88/52/1071388852.db2.gz BKQFMJJZQOFXHG-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408693355 1071391884 /nfs/dbraw/zinc/39/18/84/1071391884.db2.gz PTUBQMJSPWUMTB-UHFFFAOYSA-N -1 1 632.082 5.595 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693003 1071393431 /nfs/dbraw/zinc/39/34/31/1071393431.db2.gz ATEAFMYQCTZFJQ-UHFFFAOYSA-N -1 1 612.557 5.620 40 0 KKABMM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408705760 1071433978 /nfs/dbraw/zinc/43/39/78/1071433978.db2.gz MXAWROZOBQELPE-UHFFFAOYSA-N -1 1 523.836 5.701 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408705270 1071435431 /nfs/dbraw/zinc/43/54/31/1071435431.db2.gz AVAYFSIBOMKSIR-UHFFFAOYSA-N -1 1 612.557 5.476 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408705204 1071435546 /nfs/dbraw/zinc/43/55/46/1071435546.db2.gz ZRJJHVRPGNESPB-MGBGTMOVSA-N -1 1 628.175 7.321 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)cc2)cc1 ZINC000408703905 1071442120 /nfs/dbraw/zinc/44/21/20/1071442120.db2.gz VPEOGZAHCURTMY-UHFFFAOYSA-N -1 1 581.741 5.595 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)cc1Cl ZINC000408703567 1071443642 /nfs/dbraw/zinc/44/36/42/1071443642.db2.gz SXUBKNQSJCNCAM-UHFFFAOYSA-N -1 1 582.531 5.530 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408701563 1071451376 /nfs/dbraw/zinc/45/13/76/1071451376.db2.gz ZUJHPRARXUPTRX-UHFFFAOYSA-N -1 1 612.557 5.620 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 ZINC000408702596 1071448028 /nfs/dbraw/zinc/44/80/28/1071448028.db2.gz MTJHZTPMJMTROV-UHFFFAOYSA-N -1 1 576.140 5.575 40 0 KKABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408701489 1071452258 /nfs/dbraw/zinc/45/22/58/1071452258.db2.gz YSUVLENFJDLJJV-UHFFFAOYSA-N -1 1 581.741 5.677 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715037 1071471714 /nfs/dbraw/zinc/47/17/14/1071471714.db2.gz YGZZLAPLQPIHAT-UHFFFAOYSA-N -1 1 638.631 5.645 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714783 1071472550 /nfs/dbraw/zinc/47/25/50/1071472550.db2.gz ODHGKMCXNMRKEM-UHFFFAOYSA-N -1 1 559.735 5.026 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)cc2)cc1 ZINC000408714884 1071473450 /nfs/dbraw/zinc/47/34/50/1071473450.db2.gz ROWDRWZUNICQDM-UHFFFAOYSA-N -1 1 589.761 5.035 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714584 1071476139 /nfs/dbraw/zinc/47/61/39/1071476139.db2.gz HENHTEBYHOWQKB-UHFFFAOYSA-N -1 1 573.762 5.253 40 0 KKABMM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408712413 1071486541 /nfs/dbraw/zinc/48/65/41/1071486541.db2.gz ZHICKRLATCALTK-MRXNPFEDSA-N -1 1 590.045 5.261 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1Cl ZINC000408712568 1071482734 /nfs/dbraw/zinc/48/27/34/1071482734.db2.gz PZCVVLPVBRORPS-QGZVFWFLSA-N -1 1 570.520 5.204 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1)c1cccc(Cl)c1 ZINC000408712220 1071487817 /nfs/dbraw/zinc/48/78/17/1071487817.db2.gz WIVZFQLENJMGKR-UHFFFAOYSA-N -1 1 638.982 6.666 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)cc2C)cc1 ZINC000408712170 1071487115 /nfs/dbraw/zinc/48/71/15/1071487115.db2.gz LMNHTJKXMWRKKE-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1C ZINC000408711324 1071497378 /nfs/dbraw/zinc/49/73/78/1071497378.db2.gz IIGYJKYVQRCUKA-UHFFFAOYSA-N -1 1 564.129 5.251 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)cc2C)cc1 ZINC000408711320 1071497323 /nfs/dbraw/zinc/49/73/23/1071497323.db2.gz HWUMSHYOZXGFKI-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 ZINC000408711357 1071498128 /nfs/dbraw/zinc/49/81/28/1071498128.db2.gz MBQMXXFOFPPCNR-UHFFFAOYSA-N -1 1 653.009 6.975 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1C ZINC000408711392 1071499001 /nfs/dbraw/zinc/49/90/01/1071499001.db2.gz RDULWWKBZOQBHV-UHFFFAOYSA-N -1 1 564.129 5.251 40 0 KKABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000408711220 1071501805 /nfs/dbraw/zinc/50/18/05/1071501805.db2.gz JBWRXLYIHAORKF-UHFFFAOYSA-N -1 1 614.971 5.397 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000408711115 1071505127 /nfs/dbraw/zinc/50/51/27/1071505127.db2.gz HUKCTFZNPBCQFS-UHFFFAOYSA-N -1 1 556.065 5.502 40 0 KKABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408726286 1071513532 /nfs/dbraw/zinc/51/35/32/1071513532.db2.gz MVYKGRHIJKUZSI-YXFINDDBSA-N -1 1 705.368 5.033 40 0 KKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1)n1c2ccccc2c2c1CCCC2 ZINC000408979444 1071545406 /nfs/dbraw/zinc/54/54/06/1071545406.db2.gz CNNDJZOYVDKPBD-UHFFFAOYSA-N -1 1 533.700 6.363 40 0 KKABMM CCCCOC1=CC[C@@H](C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)C=C1 ZINC000408737126 1071552593 /nfs/dbraw/zinc/55/25/93/1071552593.db2.gz KIAHRHMPAOKJGA-QHCPKHFHSA-N -1 1 510.638 6.495 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408790873 1071892146 /nfs/dbraw/zinc/89/21/46/1071892146.db2.gz UDHIKWIHKHBSQR-NIQJEMAJSA-N -1 1 705.343 5.147 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000409062493 1072024321 /nfs/dbraw/zinc/02/43/21/1072024321.db2.gz VPWZJEBTQACWFQ-KLKBWYFJSA-N -1 1 745.433 5.796 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409061254 1072029950 /nfs/dbraw/zinc/02/99/50/1072029950.db2.gz YNOAIUMCOFAWEW-KEQCBNTKSA-N -1 1 714.423 6.070 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409095811 1072238516 /nfs/dbraw/zinc/23/85/16/1072238516.db2.gz DHBPOFOBAOMUFY-JCXLJCJISA-N -1 1 721.680 5.968 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409090389 1072281929 /nfs/dbraw/zinc/28/19/29/1072281929.db2.gz PGMVJEJQGGSEMA-NPHLBUJTSA-N -1 1 717.667 6.370 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409090035 1072283946 /nfs/dbraw/zinc/28/39/46/1072283946.db2.gz OFFDEQJPOCCNDH-DIXABZHVSA-N -1 1 660.575 5.185 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409089156 1072291224 /nfs/dbraw/zinc/29/12/24/1072291224.db2.gz NHBRAKSJYQKJGS-QTQKINJDSA-N -1 1 732.438 5.338 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409102097 1072311131 /nfs/dbraw/zinc/31/11/31/1072311131.db2.gz ZVYFIHVWAKQVMC-AIYGHVSQSA-N -1 1 740.057 5.908 40 0 KKABMM CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc(Br)c(Sc5nc(C)cc(=O)[n-]5)o4)c(=O)n32)cc1 ZINC000409098913 1072328259 /nfs/dbraw/zinc/32/82/59/1072328259.db2.gz RISRZKSNRVKTAB-SNXNUMJZSA-N -1 1 673.636 5.219 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409331832 1072366571 /nfs/dbraw/zinc/36/65/71/1072366571.db2.gz OIXZLPBZUVZVFL-UHFFFAOYSA-N -1 1 584.119 5.835 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409328700 1072391883 /nfs/dbraw/zinc/39/18/83/1072391883.db2.gz ACXJTSDZDSWNIS-UHFFFAOYSA-N -1 1 618.108 5.431 40 0 KKABMM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(Br)c(Sc5nc(C)cc(=O)[n-]5)o4)c(=O)n32)c(OC)c1 ZINC000409108618 1072406330 /nfs/dbraw/zinc/40/63/30/1072406330.db2.gz XGSQSERLCNXXAX-JYXZFHPPSA-N -1 1 720.627 5.202 40 0 KKABMM O=C1S/C(=C/c2cc(I)cc(I)c2[O-])C(=O)N1CCCc1ccccc1 ZINC000409142852 1072543971 /nfs/dbraw/zinc/54/39/71/1072543971.db2.gz BQLONRDLLKLYKR-MHWRWJLKSA-N -1 1 591.208 5.271 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3cc(Cl)ccc3Cl)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409374541 1072638219 /nfs/dbraw/zinc/63/82/19/1072638219.db2.gz SEVSSRQMTXHYEM-UHFFFAOYSA-N -1 1 571.464 8.242 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccccc2OCc2ccccc2Cl)cc1 ZINC000409373690 1072641162 /nfs/dbraw/zinc/64/11/62/1072641162.db2.gz YYGRNFJJRJIEBC-UHFFFAOYSA-N -1 1 577.084 7.907 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OC ZINC000409370852 1072652490 /nfs/dbraw/zinc/65/24/90/1072652490.db2.gz FBAMYEAHSUCGCI-UHFFFAOYSA-N -1 1 589.490 6.845 40 0 KKABMM COc1ccc2ccccc2c1C(c1c(=O)[nH][n-]c1-c1ccc(C)cc1)c1c(=O)[nH][nH]c1-c1ccc(C)cc1 ZINC000409369245 1072660410 /nfs/dbraw/zinc/66/04/10/1072660410.db2.gz IXMSHAMFJNYLOH-UHFFFAOYSA-N -1 1 516.601 6.837 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1O ZINC000409369043 1072661038 /nfs/dbraw/zinc/66/10/38/1072661038.db2.gz YVFMKHDQAIPSMY-UHFFFAOYSA-N -1 1 608.436 5.994 40 0 KKABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000409177121 1072708921 /nfs/dbraw/zinc/70/89/21/1072708921.db2.gz BDUVVICYKSHRLT-UHFFFAOYSA-N -1 1 666.536 5.539 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409175936 1072713869 /nfs/dbraw/zinc/71/38/69/1072713869.db2.gz FDRBOSLNXNBTIS-PMERELPUSA-N -1 1 592.142 6.210 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409175266 1072717019 /nfs/dbraw/zinc/71/70/19/1072717019.db2.gz ZOJCRMBJZIDWFD-SSEXGKCCSA-N -1 1 660.139 7.229 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cccc(Cl)c2)cc1 ZINC000409174314 1072722625 /nfs/dbraw/zinc/72/26/25/1072722625.db2.gz RRXPQSZROFFHBC-UHFFFAOYSA-N -1 1 620.536 5.637 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409169729 1072747936 /nfs/dbraw/zinc/74/79/36/1072747936.db2.gz YWWIWPBVLZWPKW-AFUMVMLFSA-N -1 1 557.886 7.627 40 0 KKABMM Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c1 ZINC000409406801 1072757181 /nfs/dbraw/zinc/75/71/81/1072757181.db2.gz CQSTUPJYKGEIHF-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000409167459 1072760449 /nfs/dbraw/zinc/76/04/49/1072760449.db2.gz LUWPPFFPSQXONN-UHFFFAOYSA-N -1 1 529.005 6.589 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409184501 1072776312 /nfs/dbraw/zinc/77/63/12/1072776312.db2.gz XSDSLBWFIQCHAC-UHFFFAOYSA-N -1 1 648.590 6.335 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1I ZINC000409412726 1072786551 /nfs/dbraw/zinc/78/65/51/1072786551.db2.gz ZOCYCJXGADTTIM-UHFFFAOYSA-N -1 1 613.282 5.208 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000409182498 1072790089 /nfs/dbraw/zinc/79/00/89/1072790089.db2.gz LQLYONGAZXPKKN-UHFFFAOYSA-N -1 1 505.983 5.201 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1C ZINC000409412049 1072791499 /nfs/dbraw/zinc/79/14/99/1072791499.db2.gz QMTOUFOVYQSYGI-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409411879 1072792832 /nfs/dbraw/zinc/79/28/32/1072792832.db2.gz MSPYQJHUZUWKJG-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)c(C)c1 ZINC000409411389 1072795427 /nfs/dbraw/zinc/79/54/27/1072795427.db2.gz HPAOYNHNQHFQKP-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409411628 1072795704 /nfs/dbraw/zinc/79/57/04/1072795704.db2.gz YEDSGAGHDIOBBK-HHHXNRCGSA-N -1 1 601.628 6.126 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409180505 1072804337 /nfs/dbraw/zinc/80/43/37/1072804337.db2.gz YTIZNBVYPHCETJ-UHFFFAOYSA-N -1 1 661.543 5.234 40 0 KKABMM O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000409180055 1072807060 /nfs/dbraw/zinc/80/70/60/1072807060.db2.gz WABPBYQLPFTROE-UHFFFAOYSA-N -1 1 526.401 5.546 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2C)c(C)c1 ZINC000409409748 1072808110 /nfs/dbraw/zinc/80/81/10/1072808110.db2.gz QSQWAJCQABWNRR-HSZRJFAPSA-N -1 1 541.673 6.156 40 0 KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409409869 1072808600 /nfs/dbraw/zinc/80/86/00/1072808600.db2.gz JRWXCQBCMVNEST-UHFFFAOYSA-N -1 1 624.955 6.525 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1C ZINC000409409306 1072810307 /nfs/dbraw/zinc/81/03/07/1072810307.db2.gz HEBFWZKHOCXLLL-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccco4)cc3)cc2)c1 ZINC000409409122 1072812587 /nfs/dbraw/zinc/81/25/87/1072812587.db2.gz NGNXNAPQJSJPIQ-MUUNZHRXSA-N -1 1 547.658 5.415 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1Cl ZINC000409408664 1072814796 /nfs/dbraw/zinc/81/47/96/1072814796.db2.gz DGFDYWUWVWPVNJ-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1C ZINC000409408021 1072818040 /nfs/dbraw/zinc/81/80/40/1072818040.db2.gz BMYXSNHSWTWRSO-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409191838 1072859792 /nfs/dbraw/zinc/85/97/92/1072859792.db2.gz OKPKSCNHZDKVHA-FXBPXSCXSA-N -1 1 545.242 5.988 40 0 KKABMM COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000409191838 1072859802 /nfs/dbraw/zinc/85/98/02/1072859802.db2.gz OKPKSCNHZDKVHA-FXBPXSCXSA-N -1 1 545.242 5.988 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc(C)c(Cl)c5)cc4c3c2)cc1Cl ZINC000409223024 1072989731 /nfs/dbraw/zinc/98/97/31/1072989731.db2.gz FBEACUWKODLYFF-UHFFFAOYSA-N -1 1 575.495 7.111 40 0 KKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCCSc1cccc2ccccc21 ZINC000409259064 1073242651 /nfs/dbraw/zinc/24/26/51/1073242651.db2.gz ZIRQUQIVQBBUFV-UHFFFAOYSA-N -1 1 514.672 7.276 40 0 KKABMM COc1cc(C=O)ccc1OCc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)cc2OC)cc1 ZINC000409268045 1073286714 /nfs/dbraw/zinc/28/67/14/1073286714.db2.gz YZFRAKLTNNNMKJ-UHFFFAOYSA-N -1 1 582.678 6.930 40 0 KKABMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(Sc3ccccc3)cc2)c1 ZINC000003018880 552262636 /nfs/dbraw/zinc/26/26/36/552262636.db2.gz YSHJJMRFWQTDEX-UHFFFAOYSA-N -1 1 539.476 6.653 40 0 KKABMM O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])c(Cl)c1 ZINC000003146809 552297128 /nfs/dbraw/zinc/29/71/28/552297128.db2.gz WINJINUSHRZMGO-UHFFFAOYSA-N -1 1 520.199 7.664 40 0 KKABMM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C)cc2)cc1 ZINC000008384513 552989714 /nfs/dbraw/zinc/98/97/14/552989714.db2.gz YCENYPQWBHJCOU-UHFFFAOYSA-N -1 1 595.768 5.660 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(I)cc4)cc3[O-])oc2cc1C ZINC000008767740 553139916 /nfs/dbraw/zinc/13/99/16/553139916.db2.gz GDJNRZLGSYGXAF-UHFFFAOYSA-N -1 1 514.319 5.439 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1F)c1cccc(Cl)c1 ZINC000008810248 553148202 /nfs/dbraw/zinc/14/82/02/553148202.db2.gz ATJYGDOOTRCQEF-UHFFFAOYSA-N -1 1 510.974 6.111 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1F)c1ccccc1Cl ZINC000008810407 553148462 /nfs/dbraw/zinc/14/84/62/553148462.db2.gz ZFZDWTMNHORUBV-UHFFFAOYSA-N -1 1 510.974 6.111 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2C)cc1 ZINC000010313800 553332489 /nfs/dbraw/zinc/33/24/89/553332489.db2.gz FOUILXHAKDHLJB-UHFFFAOYSA-N -1 1 507.011 6.802 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000010334212 553334393 /nfs/dbraw/zinc/33/43/93/553334393.db2.gz WGPPNTIOUBUTDG-UHFFFAOYSA-N -1 1 504.995 5.933 40 0 KKABMM Cc1cc(C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010357029 553335234 /nfs/dbraw/zinc/33/52/34/553335234.db2.gz QKNWWUZYUJBVTL-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010365699 553335587 /nfs/dbraw/zinc/33/55/87/553335587.db2.gz AZXIFXFOLJVGFP-UHFFFAOYSA-N -1 1 504.995 5.933 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2C)cc1 ZINC000013680395 553484171 /nfs/dbraw/zinc/48/41/71/553484171.db2.gz UXVWHUMPDQRSNE-UHFFFAOYSA-N -1 1 517.573 5.085 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)ccc2C)cc1C ZINC000014154044 553503947 /nfs/dbraw/zinc/50/39/47/553503947.db2.gz YHQODRNQXYCBAV-UHFFFAOYSA-N -1 1 528.718 7.205 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)c1 ZINC000014154908 553504515 /nfs/dbraw/zinc/50/45/15/553504515.db2.gz HLAJYQHSZMLRJW-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)ccc2C)cc1 ZINC000014154962 553504721 /nfs/dbraw/zinc/50/47/21/553504721.db2.gz KDTMIVLFBZGJQZ-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2C)cc1C ZINC000014155312 553504994 /nfs/dbraw/zinc/50/49/94/553504994.db2.gz APNIUOXXLLWPPL-UHFFFAOYSA-N -1 1 512.075 5.337 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3)ccc2C)cc1C ZINC000014155568 553505141 /nfs/dbraw/zinc/50/51/41/553505141.db2.gz IKSYRLMXFCAORO-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C)cc1C ZINC000014155702 553505406 /nfs/dbraw/zinc/50/54/06/553505406.db2.gz UTDNBZQSXZVWIV-UHFFFAOYSA-N -1 1 500.620 6.244 40 0 KKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OCc5ccccc5)c4)cc3[O-])nc2c1 ZINC000014274231 553507154 /nfs/dbraw/zinc/50/71/54/553507154.db2.gz GJDSRPDVOBKUJV-UHFFFAOYSA-N -1 1 509.587 6.215 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3[O-])oc2c(C)c1 ZINC000014275061 553508124 /nfs/dbraw/zinc/50/81/24/553508124.db2.gz VXXRWISSBLHRAE-UHFFFAOYSA-N -1 1 507.615 6.462 40 0 KKABMM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C ZINC000014396485 553514632 /nfs/dbraw/zinc/51/46/32/553514632.db2.gz XYJWHRIEGLQVDK-UHFFFAOYSA-N -1 1 512.937 5.794 40 0 KKABMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014400074 553515200 /nfs/dbraw/zinc/51/52/00/553515200.db2.gz XCPHFQDJMWMMKI-MRXNPFEDSA-N -1 1 521.466 6.498 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000014400039 553515238 /nfs/dbraw/zinc/51/52/38/553515238.db2.gz AGGYOKUZUBJFKM-UHFFFAOYSA-N -1 1 510.681 5.660 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000016807657 553583491 /nfs/dbraw/zinc/58/34/91/553583491.db2.gz IUMYTCBVKATNBM-UHFFFAOYSA-N -1 1 513.015 5.887 40 0 KKABMM COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019325752 553613434 /nfs/dbraw/zinc/61/34/34/553613434.db2.gz MUBCKBYYAGWDPC-UHFFFAOYSA-N -1 1 571.743 6.220 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000019931643 553635101 /nfs/dbraw/zinc/63/51/01/553635101.db2.gz WOIGFRJPWNYIBM-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)c2)cc1 ZINC000019931557 553635187 /nfs/dbraw/zinc/63/51/87/553635187.db2.gz FERWBPZMHVBRIN-UHFFFAOYSA-N -1 1 527.646 6.290 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1Cl ZINC000020452865 553651896 /nfs/dbraw/zinc/65/18/96/553651896.db2.gz QLWTVNOOPMSGKE-UHFFFAOYSA-N -1 1 507.395 5.532 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)c(Cl)c2)cc1 ZINC000020482184 553658041 /nfs/dbraw/zinc/65/80/41/553658041.db2.gz SASRTPZNJFTKKK-UHFFFAOYSA-N -1 1 514.228 6.117 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)cc1 ZINC000020482501 553658071 /nfs/dbraw/zinc/65/80/71/553658071.db2.gz HJKBCBRLAQJIFU-UHFFFAOYSA-N -1 1 507.011 6.281 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)cc1 ZINC000020482571 553658280 /nfs/dbraw/zinc/65/82/80/553658280.db2.gz KTUDMMLCMLUVNQ-UHFFFAOYSA-N -1 1 526.658 6.577 40 0 KKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000020483345 553658312 /nfs/dbraw/zinc/65/83/12/553658312.db2.gz JXLFJULOHUXIEK-QFIPXVFZSA-N -1 1 509.480 6.612 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)ccc21 ZINC000020487844 553659410 /nfs/dbraw/zinc/65/94/10/553659410.db2.gz BCVRPTYZUZZFCJ-UHFFFAOYSA-N -1 1 518.038 6.829 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c(Cl)c1 ZINC000020489387 553660020 /nfs/dbraw/zinc/66/00/20/553660020.db2.gz NZENGEKUIVNSNV-UHFFFAOYSA-N -1 1 507.395 5.532 40 0 KKABMM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1OCC ZINC000020492259 553665522 /nfs/dbraw/zinc/66/55/22/553665522.db2.gz KFMJBWGGEKLKAA-QGZVFWFLSA-N -1 1 503.020 5.429 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)c(Cl)c2)cc1 ZINC000020049785 553670812 /nfs/dbraw/zinc/67/08/12/553670812.db2.gz JPZRJAWSUKMJEZ-HHHXNRCGSA-N -1 1 505.039 6.277 40 0 KKABMM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000020060821 553672699 /nfs/dbraw/zinc/67/26/99/553672699.db2.gz KPXKENHXAGQJMW-UHFFFAOYSA-N -1 1 505.459 5.430 40 0 KKABMM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000020061064 553673976 /nfs/dbraw/zinc/67/39/76/553673976.db2.gz ISRMNYYQIONOPC-UHFFFAOYSA-N -1 1 519.486 5.739 40 0 KKABMM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020061185 553674544 /nfs/dbraw/zinc/67/45/44/553674544.db2.gz UFXXBPVCWWBLKW-UHFFFAOYSA-N -1 1 514.978 6.032 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OCCSc4ccccc4)cc3)cc2)c1 ZINC000020104128 553688157 /nfs/dbraw/zinc/68/81/57/553688157.db2.gz XJEWMGJZFZDCLN-UHFFFAOYSA-N -1 1 518.660 6.219 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(Cl)c2)cc1 ZINC000020104254 553688518 /nfs/dbraw/zinc/68/85/18/553688518.db2.gz DDMHCOFUNOVWRW-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NCC(C)C)c2)cc1 ZINC000020107829 553690893 /nfs/dbraw/zinc/69/08/93/553690893.db2.gz CFNXQINAXVPJJY-UHFFFAOYSA-N -1 1 500.020 5.087 40 0 KKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020110376 553693497 /nfs/dbraw/zinc/69/34/97/553693497.db2.gz NNOUWOAJDPDIPB-FQEVSTJZSA-N -1 1 512.937 5.956 40 0 KKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000020766435 553697283 /nfs/dbraw/zinc/69/72/83/553697283.db2.gz LIHQHKAWNGJXMT-UHFFFAOYSA-N -1 1 505.821 5.496 40 0 KKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022110811 553726710 /nfs/dbraw/zinc/72/67/10/553726710.db2.gz HVSDZDUOBSZYQU-UHFFFAOYSA-N -1 1 502.825 5.741 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1OC ZINC000022514903 553743658 /nfs/dbraw/zinc/74/36/58/553743658.db2.gz JEUMEFNCLICZOB-OAHLLOKOSA-N -1 1 507.033 5.277 40 0 KKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)ccc1Cl ZINC000022528136 553745189 /nfs/dbraw/zinc/74/51/89/553745189.db2.gz QRMPXTQSDDZNII-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951621 553810287 /nfs/dbraw/zinc/81/02/87/553810287.db2.gz XRTRWZAHKQTWPE-BBTUJRGHSA-N -1 1 533.717 6.011 40 0 KKABMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000028066540 553837866 /nfs/dbraw/zinc/83/78/66/553837866.db2.gz FBWQXRUOQQVPQM-RPWUZVMVSA-N -1 1 519.026 5.527 40 0 KKABMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000028066535 553837879 /nfs/dbraw/zinc/83/78/79/553837879.db2.gz FBWQXRUOQQVPQM-ZEQRLZLVSA-N -1 1 519.026 5.527 40 0 KKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000030751888 553855987 /nfs/dbraw/zinc/85/59/87/553855987.db2.gz OMSHHRIXCOQYBN-VWLOTQADSA-N -1 1 509.027 6.399 40 0 KKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)ccc1Cl ZINC000030859903 553858980 /nfs/dbraw/zinc/85/89/80/553858980.db2.gz CHAOHXBROULMCU-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030866811 553859866 /nfs/dbraw/zinc/85/98/66/553859866.db2.gz XIBAGVWKSNLXNC-UHFFFAOYSA-N -1 1 521.082 6.861 40 0 KKABMM COc1ccc(OC)c2c1[C@@H](c1cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c1)O[C@@H]1CCCC[C@@H]21 ZINC000098009077 554069163 /nfs/dbraw/zinc/06/91/63/554069163.db2.gz JVQKSUQLLRSLAI-IEOSBIPESA-N -1 1 537.634 5.422 40 0 KKABMM O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000098046403 554138703 /nfs/dbraw/zinc/13/87/03/554138703.db2.gz JFOFSQDNWQSTIE-WFXMLNOXSA-N -1 1 543.723 5.466 40 0 KKABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000100090704 554211152 /nfs/dbraw/zinc/21/11/52/554211152.db2.gz KULOKOJNGRIBDD-UHFFFAOYSA-N -1 1 540.277 6.043 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000100092317 554212708 /nfs/dbraw/zinc/21/27/08/554212708.db2.gz AMLSFJMQUJATQN-KRWDZBQOSA-N -1 1 616.976 5.628 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000100095610 554216186 /nfs/dbraw/zinc/21/61/86/554216186.db2.gz JUZGPXRAWHYWHX-AREMUKBSSA-N -1 1 618.520 5.389 40 0 KKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000038772786 554277537 /nfs/dbraw/zinc/27/75/37/554277537.db2.gz PEUGDEJKOIWNGW-QHCPKHFHSA-N -1 1 506.546 5.919 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1Cl ZINC000044846955 554304727 /nfs/dbraw/zinc/30/47/27/554304727.db2.gz SEPQZIACYXZAES-UHFFFAOYSA-N -1 1 507.395 5.532 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000044899899 554308099 /nfs/dbraw/zinc/30/80/99/554308099.db2.gz RAJXBLCNEWEOKP-UHFFFAOYSA-N -1 1 518.660 6.219 40 0 KKABMM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000044901593 554309205 /nfs/dbraw/zinc/30/92/05/554309205.db2.gz CTAVIPQMSIDMOT-RUZDIDTESA-N -1 1 501.048 5.975 40 0 KKABMM O=C(CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2s1)N1CCc2ccccc21 ZINC000059417610 554393458 /nfs/dbraw/zinc/39/34/58/554393458.db2.gz BTNIMUZNHMVCPA-UHFFFAOYSA-N -1 1 516.069 5.432 40 0 KKABMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059690919 554424960 /nfs/dbraw/zinc/42/49/60/554424960.db2.gz OJRSLIBWJOCRSY-URLMMPGGSA-N -1 1 564.667 6.035 40 0 KKABMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000059690907 554424970 /nfs/dbraw/zinc/42/49/70/554424970.db2.gz OJRSLIBWJOCRSY-VMPREFPWSA-N -1 1 564.667 6.035 40 0 KKABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000059852537 554451546 /nfs/dbraw/zinc/45/15/46/554451546.db2.gz YFJHGWSCKNUJGU-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000059881900 554457557 /nfs/dbraw/zinc/45/75/57/554457557.db2.gz MZCIIEKBNZZXKU-UHFFFAOYSA-N -1 1 587.948 7.448 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882506 554458390 /nfs/dbraw/zinc/45/83/90/554458390.db2.gz GVFWKAZIUPHTBM-UHFFFAOYSA-N -1 1 570.092 5.283 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059882569 554458471 /nfs/dbraw/zinc/45/84/71/554458471.db2.gz IXAJIGWDYKGKOV-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cc(C)ccc2C)cc1 ZINC000059882731 554458702 /nfs/dbraw/zinc/45/87/02/554458702.db2.gz XMSUJYOLZPZPDX-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882923 554459338 /nfs/dbraw/zinc/45/93/38/554459338.db2.gz SYCULBHEOPCENA-UHFFFAOYSA-N -1 1 563.701 5.247 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059883165 554459859 /nfs/dbraw/zinc/45/98/59/554459859.db2.gz FNOAFTWEMRWHLU-UHFFFAOYSA-N -1 1 614.145 5.682 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000059884733 554463430 /nfs/dbraw/zinc/46/34/30/554463430.db2.gz QCELKJYYEJXONE-UHFFFAOYSA-N -1 1 563.701 5.323 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cccc(Cl)c2)cc1 ZINC000059885623 554465001 /nfs/dbraw/zinc/46/50/01/554465001.db2.gz QBSUMSIUHNWCTQ-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059885926 554465759 /nfs/dbraw/zinc/46/57/59/554465759.db2.gz OUVYQPDDVZZASC-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059886612 554466925 /nfs/dbraw/zinc/46/69/25/554466925.db2.gz CGVUYWKVVGTKGB-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059887120 554467974 /nfs/dbraw/zinc/46/79/74/554467974.db2.gz YXUDEIBUFJVYFN-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000059887697 554469227 /nfs/dbraw/zinc/46/92/27/554469227.db2.gz SPFIPZCVLJYSMV-UHFFFAOYSA-N -1 1 601.706 5.483 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059888726 554471714 /nfs/dbraw/zinc/47/17/14/554471714.db2.gz YSNDIRGQFAGNHN-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)ccc2Cl)c1C ZINC000060028198 554491109 /nfs/dbraw/zinc/49/11/09/554491109.db2.gz WWLIELDGKHJSHP-UHFFFAOYSA-N -1 1 571.080 5.206 40 0 KKABMM COc1ccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c(OC)c1 ZINC000060028334 554492243 /nfs/dbraw/zinc/49/22/43/554492243.db2.gz RDKHPHJTXYCRJB-UHFFFAOYSA-N -1 1 540.619 5.098 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c(C)c1 ZINC000060028541 554493464 /nfs/dbraw/zinc/49/34/64/554493464.db2.gz YXRMJWVNFFDREN-UHFFFAOYSA-N -1 1 569.727 7.215 40 0 KKABMM C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000060028773 554495232 /nfs/dbraw/zinc/49/52/32/554495232.db2.gz IXNYFNRUPFZOLP-LJQANCHMSA-N -1 1 534.037 5.884 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)ccc2Cl)cc1C ZINC000060060775 554500722 /nfs/dbraw/zinc/50/07/22/554500722.db2.gz OBZNMIKEIYRZRN-UHFFFAOYSA-N -1 1 571.080 5.206 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)ccc1O ZINC000100982633 554547922 /nfs/dbraw/zinc/54/79/22/554547922.db2.gz IWLGDBKXCTZJFY-UHFFFAOYSA-N -1 1 518.520 5.259 40 0 KKABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101097003 554584690 /nfs/dbraw/zinc/58/46/90/554584690.db2.gz BOFLRWNUAIVPMS-KCHLEUMXSA-N -1 1 500.595 5.624 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101171160 554661743 /nfs/dbraw/zinc/66/17/43/554661743.db2.gz KXJMVBKSEQZRNO-PKTNWEFCSA-N -1 1 500.595 5.624 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000103759529 555471065 /nfs/dbraw/zinc/47/10/65/555471065.db2.gz DVMHMHMAQWSCLQ-UHFFFAOYSA-N -1 1 556.622 6.485 40 0 KKABMM CCc1cccc(C(C)C)c1NC(=O)C([O-])=CC(=O)c1sc(Nc2c(CC)cccc2C(C)(C)C)nc1C ZINC000104301137 571378747 /nfs/dbraw/zinc/37/87/47/571378747.db2.gz RUIBDUBBYWPDKX-UHFFFAOYSA-N -1 1 533.738 7.521 40 0 KKABMM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc21 ZINC000104406679 571380822 /nfs/dbraw/zinc/38/08/22/571380822.db2.gz ZGWHIPHCUCUVIX-UHFFFAOYSA-N -1 1 552.821 5.338 40 0 KKABMM O=C(Nc1ccc(-c2ccc(NC(=O)c3cc4ccccc4cc3O)cc2)cc1)c1cc2ccccc2cc1[O-] ZINC000104823492 571386656 /nfs/dbraw/zinc/38/66/56/571386656.db2.gz ZZLKJQVILQJBIC-UHFFFAOYSA-N -1 1 524.576 7.576 40 0 KKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])nc2c1 ZINC000105307435 571394629 /nfs/dbraw/zinc/39/46/29/571394629.db2.gz TYHBBOLLXMZCDP-KPKJPENVSA-N -1 1 592.504 8.417 40 0 KKABMM COc1c(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)cc2ccccc2c1Br ZINC000105308635 571395282 /nfs/dbraw/zinc/39/52/82/571395282.db2.gz POSMDYBKXFVLMU-UHFFFAOYSA-N -1 1 562.445 6.560 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3[O-])nc2c1 ZINC000105310572 571396133 /nfs/dbraw/zinc/39/61/33/571396133.db2.gz RCGOBVDKHSRFCX-UHFFFAOYSA-N -1 1 562.445 6.912 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c(Br)c4)cc3[O-])nc2c1 ZINC000105310553 571396169 /nfs/dbraw/zinc/39/61/69/571396169.db2.gz SBGANVHMAJKUJP-UHFFFAOYSA-N -1 1 526.412 5.661 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Br)ccc4OC)cc3[O-])nc2c1 ZINC000105310563 571396173 /nfs/dbraw/zinc/39/61/73/571396173.db2.gz FGQJNLBCICHHJH-UHFFFAOYSA-N -1 1 526.412 5.661 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)cc3[O-])nc2c1 ZINC000105310580 571396191 /nfs/dbraw/zinc/39/61/91/571396191.db2.gz SAEGTCXWOUGSEH-UHFFFAOYSA-N -1 1 552.439 7.456 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222839103 571404307 /nfs/dbraw/zinc/40/43/07/571404307.db2.gz FHFWHDCIIIGNGE-MUUNZHRXSA-N -1 1 626.518 5.284 40 0 KKABMM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(-c4nc5cc(C(C)C)ccc5o4)c([O-])c3)o2)cc1C ZINC000106013687 571410307 /nfs/dbraw/zinc/41/03/07/571410307.db2.gz MPSATEGECIHOIR-UHFFFAOYSA-N -1 1 525.630 7.327 40 0 KKABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C ZINC000106269370 571411722 /nfs/dbraw/zinc/41/17/22/571411722.db2.gz YNEAHCOSZUDDAX-QGZVFWFLSA-N -1 1 604.072 5.570 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000106399708 571412529 /nfs/dbraw/zinc/41/25/29/571412529.db2.gz WWQLSZWNOOCATI-UHFFFAOYSA-N -1 1 574.055 5.114 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)cc1 ZINC000107603758 571420440 /nfs/dbraw/zinc/42/04/40/571420440.db2.gz PYUHETDXWRSXKZ-UHFFFAOYSA-N -1 1 571.680 6.002 40 0 KKABMM 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Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)cc1Cl ZINC000150430617 571493318 /nfs/dbraw/zinc/49/33/18/571493318.db2.gz MQRGMOMOGWFJRX-GOSISDBHSA-N -1 1 631.003 5.937 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000150430603 571493321 /nfs/dbraw/zinc/49/33/21/571493321.db2.gz PEBNOBYOEYFLER-UHFFFAOYSA-N -1 1 644.137 5.773 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000150431881 571493825 /nfs/dbraw/zinc/49/38/25/571493825.db2.gz QUYFLXLAAUTYLW-GOSISDBHSA-N -1 1 631.003 5.937 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(Cl)cc2)cc1OC ZINC000150434296 571494922 /nfs/dbraw/zinc/49/49/22/571494922.db2.gz YFNILDSCBJLIIE-UHFFFAOYSA-N -1 1 644.171 5.609 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000150436285 571495977 /nfs/dbraw/zinc/49/59/77/571495977.db2.gz 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CCC1(CC)C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c2ccccc2O1 ZINC000224419489 571542283 /nfs/dbraw/zinc/54/22/83/571542283.db2.gz YWICDJYTQKPWOT-DEOSSOPVSA-N -1 1 513.059 6.262 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cccc(Br)c2)cc1 ZINC000197822540 571564704 /nfs/dbraw/zinc/56/47/04/571564704.db2.gz BRLCWWMRRBUECW-UHFFFAOYSA-N -1 1 716.985 7.065 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000197822058 571564767 /nfs/dbraw/zinc/56/47/67/571564767.db2.gz UNMWTBVEAVOPHQ-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197821980 571564810 /nfs/dbraw/zinc/56/48/10/571564810.db2.gz LVYUXUHNBHRMCW-UHFFFAOYSA-N -1 1 666.143 6.919 40 0 KKABMM O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197824138 571564902 /nfs/dbraw/zinc/56/49/02/571564902.db2.gz JZHHEFOHHVSCTJ-UHFFFAOYSA-N -1 1 692.952 7.300 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000197828092 571565235 /nfs/dbraw/zinc/56/52/35/571565235.db2.gz ZFZGSQZCKAGZHF-UHFFFAOYSA-N -1 1 668.115 6.392 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000197827623 571565265 /nfs/dbraw/zinc/56/52/65/571565265.db2.gz WUIIPLCGDODPBR-UHFFFAOYSA-N -1 1 645.759 5.800 40 0 KKABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000197828906 571565376 /nfs/dbraw/zinc/56/53/76/571565376.db2.gz CCQKNQFPSHOERW-UHFFFAOYSA-N -1 1 628.570 5.701 40 0 KKABMM O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000197831034 571565724 /nfs/dbraw/zinc/56/57/24/571565724.db2.gz HQHGWIBWTNQXJG-UHFFFAOYSA-N -1 1 669.406 6.391 40 0 KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000197831121 571565755 /nfs/dbraw/zinc/56/57/55/571565755.db2.gz FRNQMTIJOOYBNW-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2)cc1 ZINC000198311200 571566922 /nfs/dbraw/zinc/56/69/22/571566922.db2.gz BPTUWCHNFUOHQH-UHFFFAOYSA-N -1 1 644.569 5.483 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000198310709 571566936 /nfs/dbraw/zinc/56/69/36/571566936.db2.gz VUBBJUJHJONOHN-UHFFFAOYSA-N -1 1 664.987 5.746 40 0 KKABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000198309769 571566940 /nfs/dbraw/zinc/56/69/40/571566940.db2.gz YDOQGNABFTXPKK-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(C)cc2C)cc1 ZINC000198313860 571567214 /nfs/dbraw/zinc/56/72/14/571567214.db2.gz WLKCTDYMXSTVNG-UHFFFAOYSA-N -1 1 642.597 6.009 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000198315292 571567395 /nfs/dbraw/zinc/56/73/95/571567395.db2.gz WKLANDRJEPCVDN-UHFFFAOYSA-N -1 1 682.540 6.411 40 0 KKABMM O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000198317440 571567609 /nfs/dbraw/zinc/56/76/09/571567609.db2.gz CKMXBHBKVZSUQO-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000198317193 571567644 /nfs/dbraw/zinc/56/76/44/571567644.db2.gz GTWVBWYSIXWGQY-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000198318927 571567812 /nfs/dbraw/zinc/56/78/12/571567812.db2.gz CBKVMLWRSFISDQ-UHFFFAOYSA-N -1 1 634.961 5.737 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(Br)cc2)cc1 ZINC000198319265 571567823 /nfs/dbraw/zinc/56/78/23/571567823.db2.gz ORULPASVSPGZCR-UHFFFAOYSA-N -1 1 693.439 6.155 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1Br ZINC000198320694 571567831 /nfs/dbraw/zinc/56/78/31/571567831.db2.gz WYJKLXKWCBBULB-UHFFFAOYSA-N -1 1 747.011 7.073 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000198320712 571568095 /nfs/dbraw/zinc/56/80/95/571568095.db2.gz GSIRCFXCRQWWPA-UHFFFAOYSA-N -1 1 648.988 6.122 40 0 KKABMM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000214162946 571577908 /nfs/dbraw/zinc/57/79/08/571577908.db2.gz BCZHYSPAMZZSCE-RIYZIHGNSA-N -1 1 547.652 6.206 40 0 KKABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000215958389 571589459 /nfs/dbraw/zinc/58/94/59/571589459.db2.gz DPMRAMQPLYAZEI-QFIPXVFZSA-N -1 1 542.963 5.964 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)N1CCC(C)CC1 ZINC000215995402 571591094 /nfs/dbraw/zinc/59/10/94/571591094.db2.gz GPRHFXQESFFVQN-UHFFFAOYSA-N -1 1 548.705 5.897 40 0 KKABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1Cl ZINC000216015126 571591902 /nfs/dbraw/zinc/59/19/02/571591902.db2.gz LKKLWXXLJZBGJV-UHFFFAOYSA-N -1 1 548.857 5.071 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)c2)cc1 ZINC000216204293 571593390 /nfs/dbraw/zinc/59/33/90/571593390.db2.gz NYAPROVQJXNCFR-UHFFFAOYSA-N -1 1 624.955 6.809 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000216252909 571593853 /nfs/dbraw/zinc/59/38/53/571593853.db2.gz BQPNQYMULLORCT-UHFFFAOYSA-N -1 1 539.078 6.564 40 0 KKABMM CCOc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1OCC ZINC000216332584 571595068 /nfs/dbraw/zinc/59/50/68/571595068.db2.gz CBVAEUOKEQUJJF-SFHVURJKSA-N -1 1 517.047 5.738 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(I)c1 ZINC000224962347 571634327 /nfs/dbraw/zinc/63/43/27/571634327.db2.gz RKQMABYPXHQFMF-UHFFFAOYSA-N -1 1 546.308 5.363 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c(I)c1 ZINC000225018717 571639440 /nfs/dbraw/zinc/63/94/40/571639440.db2.gz MVTQANLMALPVLL-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SCc4ccccc4)s3)ccc2C)c1 ZINC000225305309 571669141 /nfs/dbraw/zinc/66/91/41/571669141.db2.gz JJCLAPKSSYZYSW-UHFFFAOYSA-N -1 1 510.666 5.500 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)cc1[N-]S(C)(=O)=O ZINC000225474140 571844464 /nfs/dbraw/zinc/84/44/64/571844464.db2.gz UURPRXYEGOKMAT-DQEYMECFSA-N -1 1 576.729 5.039 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478114 571848053 /nfs/dbraw/zinc/84/80/53/571848053.db2.gz XDLJXBVMWWCGRO-FTJBHMTQSA-N -1 1 539.727 5.172 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc3ccccc3c2)cc1[N-]S(C)(=O)=O ZINC000225488862 571859462 /nfs/dbraw/zinc/85/94/62/571859462.db2.gz IETRVQAIFISHPK-FQLXRVMXSA-N -1 1 569.712 5.583 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(Cl)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225489288 571859997 /nfs/dbraw/zinc/85/99/97/571859997.db2.gz YVYKLFILXKNOLR-LOSJGSFVSA-N -1 1 587.148 6.036 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Br)cc3F)o2)cc1[N-]S(C)(=O)=O ZINC000225492082 571862012 /nfs/dbraw/zinc/86/20/12/571862012.db2.gz KRSIVQHONMIFNC-LOSJGSFVSA-N -1 1 617.522 5.800 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C)cc3Br)o2)cc1[N-]S(C)(=O)=O ZINC000225492275 571862461 /nfs/dbraw/zinc/86/24/61/571862461.db2.gz UKUCETPCFQKXFG-CLJLJLNGSA-N -1 1 613.559 5.970 40 0 KKABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2sc1=O ZINC000225694125 572027666 /nfs/dbraw/zinc/02/76/66/572027666.db2.gz XTKKDYGUJNJFQZ-UHFFFAOYSA-N -1 1 509.653 5.434 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225782772 572067687 /nfs/dbraw/zinc/06/76/87/572067687.db2.gz GYCAVBBLHXBSSY-UHFFFAOYSA-N -1 1 509.834 5.328 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(CSc4ccccc4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225799421 572071062 /nfs/dbraw/zinc/07/10/62/572071062.db2.gz SLDJKBQNKARTIK-UHFFFAOYSA-N -1 1 553.130 6.858 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)ccc21 ZINC000225804573 572072281 /nfs/dbraw/zinc/07/22/81/572072281.db2.gz HBZOYOFRYSQCKC-UHFFFAOYSA-N -1 1 548.089 6.693 40 0 KKABMM CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c2ccccc2O1 ZINC000225837597 572075430 /nfs/dbraw/zinc/07/54/30/572075430.db2.gz ILRYJYBKPOEQSE-VWLOTQADSA-N -1 1 506.668 6.225 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408542921 572211550 /nfs/dbraw/zinc/21/15/50/572211550.db2.gz BGUSPRAMIGWKJR-UHFFFAOYSA-N -1 1 660.239 6.404 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408543472 572212874 /nfs/dbraw/zinc/21/28/74/572212874.db2.gz DRIRKVLZDYDAOC-UHFFFAOYSA-N -1 1 679.764 6.461 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408543939 572214301 /nfs/dbraw/zinc/21/43/01/572214301.db2.gz GFHUAFAGHGRUAT-UHFFFAOYSA-N -1 1 661.827 6.595 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2ccc(F)cc2)cc1 ZINC000408544691 572216363 /nfs/dbraw/zinc/21/63/63/572216363.db2.gz IOHAYZODFJGEOP-UHFFFAOYSA-N -1 1 638.526 5.776 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408544720 572216380 /nfs/dbraw/zinc/21/63/80/572216380.db2.gz IZGLZXZWOPPNRH-UHFFFAOYSA-N -1 1 662.661 6.667 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408545013 572217125 /nfs/dbraw/zinc/21/71/25/572217125.db2.gz LZIUWEZUAMSNHH-UHFFFAOYSA-N -1 1 600.516 5.611 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)ccc2C)c1 ZINC000408545862 572221204 /nfs/dbraw/zinc/22/12/04/572221204.db2.gz PAZCRWSGPRGKDD-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)c1 ZINC000408547285 572225090 /nfs/dbraw/zinc/22/50/90/572225090.db2.gz YJAWPZUHLQUQPQ-UHFFFAOYSA-N -1 1 652.116 7.138 40 0 KKABMM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)ccc1C ZINC000408547427 572225549 /nfs/dbraw/zinc/22/55/49/572225549.db2.gz JJSSEUKJDYMCNG-UHFFFAOYSA-N -1 1 585.707 6.311 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408547528 572225816 /nfs/dbraw/zinc/22/58/16/572225816.db2.gz ZIKXAQZUYYFFFY-UHFFFAOYSA-N -1 1 588.082 5.422 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000408547770 572226645 /nfs/dbraw/zinc/22/66/45/572226645.db2.gz MPFVYGRDVPXGMU-UHFFFAOYSA-N -1 1 600.118 5.125 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2C)cc1 ZINC000408547747 572226888 /nfs/dbraw/zinc/22/68/88/572226888.db2.gz MGPXKJFKJOIZJG-JOCHJYFZSA-N -1 1 527.646 5.848 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408548138 572228495 /nfs/dbraw/zinc/22/84/95/572228495.db2.gz PRHCOELNPHFQBK-UHFFFAOYSA-N -1 1 618.108 5.513 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408549069 572230978 /nfs/dbraw/zinc/23/09/78/572230978.db2.gz WKVGZTCMJFFLBJ-UHFFFAOYSA-N -1 1 624.062 6.521 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc(Cl)c1Cl ZINC000408551817 572236956 /nfs/dbraw/zinc/23/69/56/572236956.db2.gz JCJIGOZJDPQATE-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc(Br)c1 ZINC000408552345 572238099 /nfs/dbraw/zinc/23/80/99/572238099.db2.gz MEAZBFWWOXGDDP-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408555942 572243498 /nfs/dbraw/zinc/24/34/98/572243498.db2.gz XXFZRQSPGNAEIJ-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557078 572244507 /nfs/dbraw/zinc/24/45/07/572244507.db2.gz KULZTQBYZNSMMK-UHFFFAOYSA-N -1 1 509.809 5.554 40 0 KKABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1Cl ZINC000408558538 572245839 /nfs/dbraw/zinc/24/58/39/572245839.db2.gz RQOSYPVVAZANPY-UHFFFAOYSA-N -1 1 515.802 5.474 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408559391 572246691 /nfs/dbraw/zinc/24/66/91/572246691.db2.gz VLHOCDUIAZSVBL-UHFFFAOYSA-N -1 1 554.883 5.175 40 0 KKABMM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000408561665 572248465 /nfs/dbraw/zinc/24/84/65/572248465.db2.gz UUESHAGZNSZTHH-UHFFFAOYSA-N -1 1 568.910 5.484 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408562416 572248901 /nfs/dbraw/zinc/24/89/01/572248901.db2.gz ZTUWQIGULLOODU-UHFFFAOYSA-N -1 1 519.328 6.074 40 0 KKABMM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408584528 572265782 /nfs/dbraw/zinc/26/57/82/572265782.db2.gz QWNUGSZWFCLQKL-KRWDZBQOSA-N -1 1 507.439 5.311 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408584971 572266055 /nfs/dbraw/zinc/26/60/55/572266055.db2.gz XGKFDFWNWSLCQZ-UHFFFAOYSA-N -1 1 589.884 6.696 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000408586261 572266235 /nfs/dbraw/zinc/26/62/35/572266235.db2.gz MVVNTZGUXBGWSK-UHFFFAOYSA-N -1 1 517.003 5.359 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000408586846 572266295 /nfs/dbraw/zinc/26/62/95/572266295.db2.gz CENDIZRZGSHCMF-UHFFFAOYSA-N -1 1 575.008 6.444 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000408587522 572266453 /nfs/dbraw/zinc/26/64/53/572266453.db2.gz DLTUABSZZJGGHR-UHFFFAOYSA-N -1 1 553.773 6.484 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NCc1ccc(Cl)cc1 ZINC000408590123 572267565 /nfs/dbraw/zinc/26/75/65/572267565.db2.gz JISUGNPSBOSPIC-UHFFFAOYSA-N -1 1 533.355 5.508 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(=O)c4cccc(Cl)c4)c3)ccc21 ZINC000408590971 572267988 /nfs/dbraw/zinc/26/79/88/572267988.db2.gz HNOIVYSIUFAQKV-UHFFFAOYSA-N -1 1 534.037 6.530 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2ccccc2n3CC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408598182 572271933 /nfs/dbraw/zinc/27/19/33/572271933.db2.gz XQCDJTRQZRQGOD-UHFFFAOYSA-N -1 1 548.064 6.920 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2ccccc2n3CC)cc1NC(=O)c1ccccc1F ZINC000408598267 572272040 /nfs/dbraw/zinc/27/20/40/572272040.db2.gz YPVWZGWGOYPYHR-UHFFFAOYSA-N -1 1 531.609 6.405 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000408600885 572272663 /nfs/dbraw/zinc/27/26/63/572272663.db2.gz DBWKBRTXHKSMRK-UHFFFAOYSA-N -1 1 518.591 5.093 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000408601790 572272974 /nfs/dbraw/zinc/27/29/74/572272974.db2.gz HJPRJOIBPWNQLN-UHFFFAOYSA-N -1 1 571.980 5.026 40 0 KKABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1)C(=O)NC1CCCCC1 ZINC000408607768 572275339 /nfs/dbraw/zinc/27/53/39/572275339.db2.gz QIBUCFFDOQERIS-AWEZNQCLSA-N -1 1 504.958 5.376 40 0 KKABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c(OC)c1 ZINC000408608746 572275660 /nfs/dbraw/zinc/27/56/60/572275660.db2.gz SBPQCWRRRQTQES-UHFFFAOYSA-N -1 1 544.935 5.194 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408610053 572275983 /nfs/dbraw/zinc/27/59/83/572275983.db2.gz USMJUVNKKLJBDY-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1OC ZINC000408610431 572276209 /nfs/dbraw/zinc/27/62/09/572276209.db2.gz QTKNGSOPEZOGCM-UHFFFAOYSA-N -1 1 601.725 5.655 40 0 KKABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)c1 ZINC000408611963 572276803 /nfs/dbraw/zinc/27/68/03/572276803.db2.gz XPITWWUGBJONOV-UHFFFAOYSA-N -1 1 514.909 5.186 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc2C)c(C)c1 ZINC000408619395 572280586 /nfs/dbraw/zinc/28/05/86/572280586.db2.gz MANXOFGTUNAGNO-UHFFFAOYSA-N -1 1 505.640 5.291 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408627287 572284382 /nfs/dbraw/zinc/28/43/82/572284382.db2.gz ZDXYFOLYYZHMQB-UHFFFAOYSA-N -1 1 513.335 5.829 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc2C)c1C ZINC000408630216 572285916 /nfs/dbraw/zinc/28/59/16/572285916.db2.gz PONYAXHIEZPEDJ-UHFFFAOYSA-N -1 1 505.640 5.291 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C(=O)[O-])n1 ZINC000408630480 572286133 /nfs/dbraw/zinc/28/61/33/572286133.db2.gz ADDZJEGWXGGSPT-CFRMEGHHSA-N -1 1 538.025 6.248 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3cccc4ccccc43)C(=O)[O-])n2)c1 ZINC000408630749 572286562 /nfs/dbraw/zinc/28/65/62/572286562.db2.gz ATUXQUNJDFZOAF-YUMHPJSZSA-N -1 1 539.613 6.439 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2C)c1 ZINC000408631038 572286970 /nfs/dbraw/zinc/28/69/70/572286970.db2.gz ZFUGUKPIXREARI-UHFFFAOYSA-N -1 1 533.049 6.549 40 0 KKABMM CCn1c(S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408631257 572287272 /nfs/dbraw/zinc/28/72/72/572287272.db2.gz CQTRTUGVGIWUKZ-NVNXTCNLSA-N -1 1 515.216 5.958 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc(Br)c1OC ZINC000408631351 572287441 /nfs/dbraw/zinc/28/74/41/572287441.db2.gz HXSWIDWZESUCJM-MFOYZWKCSA-N -1 1 540.823 5.521 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(=O)[O-])n1 ZINC000408631415 572287561 /nfs/dbraw/zinc/28/75/61/572287561.db2.gz IOOFSBGPZRVMNZ-QQXSKIMKSA-N -1 1 544.032 7.084 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(OCc4ccccc4Cl)c3)C(=O)[O-])n2)c1 ZINC000408631475 572287616 /nfs/dbraw/zinc/28/76/16/572287616.db2.gz FBBXWVWTWQNMKN-KSEXSDGBSA-N -1 1 523.998 5.939 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OC)c(I)c2)C(=O)[O-])n1 ZINC000408631879 572288141 /nfs/dbraw/zinc/28/81/41/572288141.db2.gz MTFZCYOQHLTLOV-CHHVJCJISA-N -1 1 669.666 5.569 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)[O-])n1 ZINC000408631871 572288152 /nfs/dbraw/zinc/28/81/52/572288152.db2.gz MNDCWCZKLCZYOR-MSXFZWOLSA-N -1 1 535.000 6.494 40 0 KKABMM O=C([O-])C(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632343 572288719 /nfs/dbraw/zinc/28/87/19/572288719.db2.gz DPNQSHNDFMHJOD-MTJSOVHGSA-N -1 1 532.836 7.229 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408632390 572288734 /nfs/dbraw/zinc/28/87/34/572288734.db2.gz FKUQPMPXZIDEBZ-FMCGGJTJSA-N -1 1 576.889 7.627 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632922 572289440 /nfs/dbraw/zinc/28/94/40/572289440.db2.gz HPGCJIDBAFBSME-MTJSOVHGSA-N -1 1 577.287 7.338 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C(=O)[O-])n1 ZINC000408632856 572289447 /nfs/dbraw/zinc/28/94/47/572289447.db2.gz UHMNSGIHCMHOAZ-FMCGGJTJSA-N -1 1 541.988 6.078 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)[O-])n1 ZINC000408633127 572289873 /nfs/dbraw/zinc/28/98/73/572289873.db2.gz WCDIFFMGFJXDNG-UUYOSTAYSA-N -1 1 511.962 6.070 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)[O-])n1 ZINC000408633264 572289934 /nfs/dbraw/zinc/28/99/34/572289934.db2.gz XIJKMUZQJHIWRO-NHDPSOOVSA-N -1 1 745.764 7.140 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408633284 572289942 /nfs/dbraw/zinc/28/99/42/572289942.db2.gz XNDSBTPUMXMECO-NTFVMDSBSA-N -1 1 588.085 7.482 40 0 KKABMM CCn1c2ccccc2c2cc(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])ccc21 ZINC000408633339 572290021 /nfs/dbraw/zinc/29/00/21/572290021.db2.gz MOYUQHXQTGOBHG-MSXFZWOLSA-N -1 1 500.580 5.835 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)[O-])n1 ZINC000408633495 572290186 /nfs/dbraw/zinc/29/01/86/572290186.db2.gz NJNKMASPPCMMQK-UUYOSTAYSA-N -1 1 572.868 6.693 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[O-])n1 ZINC000408633467 572290207 /nfs/dbraw/zinc/29/02/07/572290207.db2.gz YTUIJMGNWFKVLA-MBTHVWNTSA-N -1 1 567.070 7.508 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408633474 572290259 /nfs/dbraw/zinc/29/02/59/572290259.db2.gz NFSMGKFPSBOPDQ-FDVSRXAVSA-N -1 1 583.666 6.838 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[O-])n1 ZINC000408633612 572290315 /nfs/dbraw/zinc/29/03/15/572290315.db2.gz ODUHNWGIAUNGAQ-GRSHGNNSSA-N -1 1 522.797 6.918 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c4cc(C)cc(C)c4[nH]c3-c3ccccc3)C(=O)[O-])n2)c1 ZINC000408633694 572290454 /nfs/dbraw/zinc/29/04/54/572290454.db2.gz OOQOQEGFILBECM-IWIPYMOSSA-N -1 1 526.618 6.472 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4cc(Br)ccc4Br)o3)C(=O)[O-])n2)c1 ZINC000408633770 572290558 /nfs/dbraw/zinc/29/05/58/572290558.db2.gz PCZKXSKOCAAEGA-RGVLZGJSSA-N -1 1 607.280 6.492 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408634052 572290969 /nfs/dbraw/zinc/29/09/69/572290969.db2.gz OEZSVHNYZMLSOE-FBHDLOMBSA-N -1 1 641.758 8.000 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408634149 572291082 /nfs/dbraw/zinc/29/10/82/572291082.db2.gz RNMBAVMGPAEVEI-MRUKODCESA-N -1 1 602.496 6.991 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cn(Cc4ccc(Br)cc4)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408634211 572291206 /nfs/dbraw/zinc/29/12/06/572291206.db2.gz SDFRTKAYBAGLJR-MXAYSNPKSA-N -1 1 591.487 6.472 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c3cc(C)cc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])n1 ZINC000408634305 572291391 /nfs/dbraw/zinc/29/13/91/572291391.db2.gz UCMCKHSGZNGVME-UCQKPKSFSA-N -1 1 531.037 7.117 40 0 KKABMM O=C([O-])/C(=C/c1cc(Br)c(O)c(I)c1)Sc1nc2ccccc2o1 ZINC000408634608 572291622 /nfs/dbraw/zinc/29/16/22/572291622.db2.gz SIHXVBIEGMFTQJ-QPEQYQDCSA-N -1 1 518.126 5.118 40 0 KKABMM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)[O-])o1 ZINC000408634670 572291691 /nfs/dbraw/zinc/29/16/91/572291691.db2.gz WILUBIFPYXBWPF-RZNTYIFUSA-N -1 1 518.172 5.738 40 0 KKABMM O=C([O-])C(=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634618 572291728 /nfs/dbraw/zinc/29/17/28/572291728.db2.gz SMIOOCDDZJFMTA-QRVIBDJDSA-N -1 1 521.429 6.999 40 0 KKABMM Cc1cc2c(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])c(-c3ccccc3)[nH]c2c(C)c1 ZINC000408634777 572291841 /nfs/dbraw/zinc/29/18/41/572291841.db2.gz UKICYVOYJKRLNL-HMAPJEAMSA-N -1 1 501.011 7.108 40 0 KKABMM CCOC(=O)COc1ccc2ccccc2c1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000408635227 572292301 /nfs/dbraw/zinc/29/23/01/572292301.db2.gz YMLMDUDCVUMJLQ-BKUYFWCQSA-N -1 1 509.971 5.438 40 0 KKABMM O=C([O-])C(=Cc1cc(Br)ccc1OCc1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635352 572292415 /nfs/dbraw/zinc/29/24/15/572292415.db2.gz ZSXPSEFETAAPKD-BKUYFWCQSA-N -1 1 542.842 6.684 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000408635556 572292573 /nfs/dbraw/zinc/29/25/73/572292573.db2.gz DQPPXJDLGOKCOW-UHFFFAOYSA-N -1 1 555.483 6.402 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000408636664 572293574 /nfs/dbraw/zinc/29/35/74/572293574.db2.gz SFLABHRQMFMGLO-UHFFFAOYSA-N -1 1 557.455 6.391 40 0 KKABMM CC(C)CCC[C@]1(C)Oc2ccc(C(=O)Nc3cc(C(C)(C)C)cc(Cl)c3[O-])cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000257284598 572314328 /nfs/dbraw/zinc/31/43/28/572314328.db2.gz PDIWOYOJQCDOPY-HGNUHORWSA-N -1 1 528.133 8.429 40 0 KKABMM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000408677372 572319148 /nfs/dbraw/zinc/31/91/48/572319148.db2.gz DCTWYNRNOSRSTP-MRXNPFEDSA-N -1 1 526.964 6.182 40 0 KKABMM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408678363 572319815 /nfs/dbraw/zinc/31/98/15/572319815.db2.gz GCBBFZKQKAVUAZ-OAQYLSRUSA-N -1 1 512.937 5.956 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000408679497 572320527 /nfs/dbraw/zinc/32/05/27/572320527.db2.gz MLDHDWCQNKNURS-UHFFFAOYSA-N -1 1 570.520 5.288 40 0 KKABMM CCCCOc1ccc(Cl)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000101139780 1069699665 /nfs/dbraw/zinc/69/96/65/1069699665.db2.gz BFTQVGLXANNUPJ-UHFFFAOYSA-N -1 1 543.067 7.099 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccc(C(=O)OCC(C)C)cc2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423057 1069717848 /nfs/dbraw/zinc/71/78/48/1069717848.db2.gz XTRGYYFZRLAKNC-UHFFFAOYSA-N -1 1 602.691 7.339 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cccc3ccccc32)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423139 1069718676 /nfs/dbraw/zinc/71/86/76/1069718676.db2.gz IMPSLUAHJKUWID-UHFFFAOYSA-N -1 1 552.634 7.679 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cc(Br)ccc1OC(C)C ZINC000108423237 1069719541 /nfs/dbraw/zinc/71/95/41/1069719541.db2.gz GJGHGUJXVLLVRI-UHFFFAOYSA-N -1 1 573.491 6.816 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000408700962 1069726718 /nfs/dbraw/zinc/72/67/18/1069726718.db2.gz PCFZGTOPGNJBEE-UHFFFAOYSA-N -1 1 570.092 5.331 40 0 KKABMM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408695615 1069734453 /nfs/dbraw/zinc/73/44/53/1069734453.db2.gz 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ZINC000408994762 1070371769 /nfs/dbraw/zinc/37/17/69/1070371769.db2.gz IQFBQNUMKFZOCX-KLKBWYFJSA-N -1 1 729.434 6.132 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(I)cc(I)c3[O-])sc2=N1 ZINC000409033336 1070423049 /nfs/dbraw/zinc/42/30/49/1070423049.db2.gz FBSMHFHFYYPQLY-IOKRJLGCSA-N -1 1 809.258 5.264 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409371400 1070894695 /nfs/dbraw/zinc/89/46/95/1070894695.db2.gz ITHUYDNXASWTSS-UHFFFAOYSA-N -1 1 655.980 8.670 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000408906416 1070895549 /nfs/dbraw/zinc/89/55/49/1070895549.db2.gz BJGNUHBGTVIABR-NTUHNPAUSA-N -1 1 506.502 5.175 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000409372846 1070896064 /nfs/dbraw/zinc/89/60/64/1070896064.db2.gz RKQSXNPJLSYFER-UHFFFAOYSA-N -1 1 690.425 9.323 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(OC)c1OC ZINC000409411743 1070921305 /nfs/dbraw/zinc/92/13/05/1070921305.db2.gz KUEGMPOACIMJPC-RIYZIHGNSA-N -1 1 536.528 5.184 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409409047 1070927028 /nfs/dbraw/zinc/92/70/28/1070927028.db2.gz MEYQPNFPTUJBTI-UHFFFAOYSA-N -1 1 666.143 6.864 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)ccc2C)c1 ZINC000409409262 1070927170 /nfs/dbraw/zinc/92/71/70/1070927170.db2.gz GOODHGXKFJANCJ-UHFFFAOYSA-N -1 1 628.570 6.228 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408926795 1071071000 /nfs/dbraw/zinc/07/10/00/1071071000.db2.gz QVKBYKOXHGMLPJ-UHFFFAOYSA-N -1 1 660.568 5.101 40 0 KKABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408924279 1071084488 /nfs/dbraw/zinc/08/44/88/1071084488.db2.gz FRDCHWABRDQDSO-UHFFFAOYSA-N -1 1 599.734 6.091 40 0 KKABMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408923290 1071087500 /nfs/dbraw/zinc/08/75/00/1071087500.db2.gz VOWCDLPDTPQGLS-CQSZACIVSA-N -1 1 514.978 6.279 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1C ZINC000408923064 1071089536 /nfs/dbraw/zinc/08/95/36/1071089536.db2.gz IXHABDLHTCARDG-UHFFFAOYSA-N -1 1 590.045 5.181 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408922231 1071092655 /nfs/dbraw/zinc/09/26/55/1071092655.db2.gz YHQQNBFEMYHRHM-UHFFFAOYSA-N -1 1 601.706 5.483 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C)c(C)c2)cc1 ZINC000408922082 1071093195 /nfs/dbraw/zinc/09/31/95/1071093195.db2.gz DXEUDWZGJPDOKO-UHFFFAOYSA-N -1 1 631.698 6.265 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000408922065 1071093393 /nfs/dbraw/zinc/09/33/93/1071093393.db2.gz DTUSMVUFFSPRPX-UHFFFAOYSA-N -1 1 684.114 6.011 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cc(C)ccc2C)cc1 ZINC000408920771 1071102188 /nfs/dbraw/zinc/10/21/88/1071102188.db2.gz MLXQTZRMZPTCGH-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408927609 1071195761 /nfs/dbraw/zinc/19/57/61/1071195761.db2.gz YIJTWGYTVNEGEV-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(C)cc2)cc1 ZINC000198318577 1071210207 /nfs/dbraw/zinc/21/02/07/1071210207.db2.gz VKSAHNBZFVUMML-UHFFFAOYSA-N -1 1 631.801 6.505 40 0 KKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C ZINC000408696068 1071382147 /nfs/dbraw/zinc/38/21/47/1071382147.db2.gz ZKJNLAXKCQMPDZ-QGZVFWFLSA-N -1 1 503.418 5.273 40 0 KKABMM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408695751 1071382869 /nfs/dbraw/zinc/38/28/69/1071382869.db2.gz UPSYSXJMCHUZTN-NRFANRHFSA-N -1 1 523.836 5.699 40 0 KKABMM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408694928 1071384951 /nfs/dbraw/zinc/38/49/51/1071384951.db2.gz KEHXDHQUROYKOM-UHFFFAOYSA-N -1 1 540.991 6.475 40 0 KKABMM O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408695121 1071385091 /nfs/dbraw/zinc/38/50/91/1071385091.db2.gz QAFSMFUOLVEYCQ-UHFFFAOYSA-N -1 1 616.490 5.203 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000408694935 1071385140 /nfs/dbraw/zinc/38/51/40/1071385140.db2.gz KLANIJDFUJWINX-UHFFFAOYSA-N -1 1 668.518 6.133 40 0 KKABMM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408694727 1071386906 /nfs/dbraw/zinc/38/69/06/1071386906.db2.gz LZWLQBADVBYDMU-JOCHJYFZSA-N -1 1 503.418 5.354 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000408694056 1071388894 /nfs/dbraw/zinc/38/88/94/1071388894.db2.gz AGPOOFFVKZLAKA-UHFFFAOYSA-N -1 1 634.073 5.479 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000408694219 1071388379 /nfs/dbraw/zinc/38/83/79/1071388379.db2.gz GCXGCCWDQRBVFN-UHFFFAOYSA-N -1 1 634.073 5.479 40 0 KKABMM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408693201 1071391744 /nfs/dbraw/zinc/39/17/44/1071391744.db2.gz LEWFAXVKHAQJIN-JOCHJYFZSA-N -1 1 526.964 6.264 40 0 KKABMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc(C)c1Cl ZINC000408706019 1071432807 /nfs/dbraw/zinc/43/28/07/1071432807.db2.gz SVOROPNFLPTJEK-QGZVFWFLSA-N -1 1 507.439 6.125 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000408706224 1071433063 /nfs/dbraw/zinc/43/30/63/1071433063.db2.gz XVXSZZKYDJQEEY-UHFFFAOYSA-N -1 1 539.963 5.249 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000408704281 1071439184 /nfs/dbraw/zinc/43/91/84/1071439184.db2.gz ZUTOWWCVIBHHGZ-UHFFFAOYSA-N -1 1 576.140 5.431 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408703881 1071442171 /nfs/dbraw/zinc/44/21/71/1071442171.db2.gz UZAVQTMKJLZJQQ-UHFFFAOYSA-N -1 1 632.082 5.595 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000408703205 1071445078 /nfs/dbraw/zinc/44/50/78/1071445078.db2.gz PRIGDCHGVZMSOJ-UHFFFAOYSA-N -1 1 670.156 6.959 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)cc2)c1 ZINC000408701361 1071451324 /nfs/dbraw/zinc/45/13/24/1071451324.db2.gz WQTPLFFQGBJSDK-UHFFFAOYSA-N -1 1 562.113 5.122 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000408702688 1071446394 /nfs/dbraw/zinc/44/63/94/1071446394.db2.gz NQVHBXOIBGOAMP-UHFFFAOYSA-N -1 1 584.119 5.721 40 0 KKABMM CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)cc1 ZINC000408702161 1071449448 /nfs/dbraw/zinc/44/94/48/1071449448.db2.gz KIVOSTAONNLZQR-UHFFFAOYSA-N -1 1 567.714 5.287 40 0 KKABMM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)c2)CC1 ZINC000408702146 1071449561 /nfs/dbraw/zinc/44/95/61/1071449561.db2.gz KAFZPHKWQLIZQC-UHFFFAOYSA-N -1 1 616.083 5.833 40 0 KKABMM Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408701871 1071450799 /nfs/dbraw/zinc/45/07/99/1071450799.db2.gz HOZALMOMUXRJJU-UHFFFAOYSA-N -1 1 577.728 5.622 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408701236 1071452122 /nfs/dbraw/zinc/45/21/22/1071452122.db2.gz UUUVYRUFAFADKR-UHFFFAOYSA-N -1 1 611.664 5.332 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714998 1071470939 /nfs/dbraw/zinc/47/09/39/1071470939.db2.gz UVZVLZKWJKIJEP-UHFFFAOYSA-N -1 1 608.207 5.844 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715011 1071471789 /nfs/dbraw/zinc/47/17/89/1071471789.db2.gz WBSCUXRHTWMTKB-UHFFFAOYSA-N -1 1 662.177 6.554 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408715022 1071471938 /nfs/dbraw/zinc/47/19/38/1071471938.db2.gz WNGBHHJNJVAUAE-UHFFFAOYSA-N -1 1 580.153 5.208 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714789 1071472541 /nfs/dbraw/zinc/47/25/41/1071472541.db2.gz OJVIHBZSQCNIAD-UHFFFAOYSA-N -1 1 587.789 5.499 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714822 1071473416 /nfs/dbraw/zinc/47/34/16/1071473416.db2.gz PNCIYLFCDXCSPN-UHFFFAOYSA-N -1 1 628.625 6.333 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714871 1071473503 /nfs/dbraw/zinc/47/35/03/1071473503.db2.gz RABXSSVHDVZAIR-UHFFFAOYSA-N -1 1 628.625 6.333 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714733 1071474302 /nfs/dbraw/zinc/47/43/02/1071474302.db2.gz MGPPNMWSEACIAO-UHFFFAOYSA-N -1 1 628.625 6.189 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714904 1071474365 /nfs/dbraw/zinc/47/43/65/1071474365.db2.gz SKKHXHUEYPDCBV-UHFFFAOYSA-N -1 1 628.625 6.333 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714591 1071476270 /nfs/dbraw/zinc/47/62/70/1071476270.db2.gz HZLIWVUULLDEFX-UHFFFAOYSA-N -1 1 594.180 5.598 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714630 1071477070 /nfs/dbraw/zinc/47/70/70/1071477070.db2.gz LAWHNLKWZSRCER-UHFFFAOYSA-N -1 1 594.180 5.536 40 0 KKABMM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408712415 1071486482 /nfs/dbraw/zinc/48/64/82/1071486482.db2.gz ZKFPLFPTRMFUEZ-UHFFFAOYSA-N -1 1 706.979 7.685 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)c1 ZINC000408712315 1071483438 /nfs/dbraw/zinc/48/34/38/1071483438.db2.gz LIAMPQRADJAJOD-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)cc2)c1 ZINC000408712387 1071485599 /nfs/dbraw/zinc/48/55/99/1071485599.db2.gz VDOPYQJLGALQQD-UHFFFAOYSA-N -1 1 567.664 5.153 40 0 KKABMM Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000408712407 1071485725 /nfs/dbraw/zinc/48/57/25/1071485725.db2.gz YWOOISNFUOXZMP-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408712251 1071488723 /nfs/dbraw/zinc/48/87/23/1071488723.db2.gz CGWTXWOBZQZPER-UHFFFAOYSA-N -1 1 600.516 5.611 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)cc1Cl ZINC000408711572 1071491691 /nfs/dbraw/zinc/49/16/91/1071491691.db2.gz ZVDODZFXKTZMKS-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408712167 1071487085 /nfs/dbraw/zinc/48/70/85/1071487085.db2.gz LELLLMCJBUHRTM-UHFFFAOYSA-N -1 1 604.072 5.653 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1)c1cccc(Cl)c1 ZINC000408711452 1071492562 /nfs/dbraw/zinc/49/25/62/1071492562.db2.gz YKEPCFWIVOJSDL-UHFFFAOYSA-N -1 1 672.534 7.032 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 ZINC000408711529 1071494897 /nfs/dbraw/zinc/49/48/97/1071494897.db2.gz UIKOVBROLDWDHN-UHFFFAOYSA-N -1 1 618.564 6.321 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408985998 1071495456 /nfs/dbraw/zinc/49/54/56/1071495456.db2.gz BQBMYYDTRXLQDS-UHFFFAOYSA-N -1 1 515.462 7.617 40 0 KKABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711311 1071496185 /nfs/dbraw/zinc/49/61/85/1071496185.db2.gz GWUILHAWXCCDKL-AWEZNQCLSA-N -1 1 640.489 5.615 40 0 KKABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000408711292 1071496319 /nfs/dbraw/zinc/49/63/19/1071496319.db2.gz FDRMNBJBBRMCPH-IBGZPJMESA-N -1 1 572.108 5.396 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)c1 ZINC000408711358 1071498030 /nfs/dbraw/zinc/49/80/30/1071498030.db2.gz METOFPLUGSGFBE-UHFFFAOYSA-N -1 1 535.647 5.157 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000408711180 1071500150 /nfs/dbraw/zinc/50/01/50/1071500150.db2.gz DIMAAYBJYLTJJO-UHFFFAOYSA-N -1 1 557.653 5.694 40 0 KKABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000408711160 1071500340 /nfs/dbraw/zinc/50/03/40/1071500340.db2.gz AGCSAZIJHJKQPT-OAQYLSRUSA-N -1 1 551.690 5.051 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1OC ZINC000408711125 1071505849 /nfs/dbraw/zinc/50/58/49/1071505849.db2.gz LRPFKNOAYFVSOL-UHFFFAOYSA-N -1 1 587.698 5.346 40 0 KKABMM CCCCCO[C@H]1C=CC=C[C@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408737137 1071552717 /nfs/dbraw/zinc/55/27/17/1071552717.db2.gz KUNYLSCIUKBRKB-SXOMAYOGSA-N -1 1 524.665 6.536 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408992334 1071572187 /nfs/dbraw/zinc/57/21/87/1071572187.db2.gz ADKCHRRHPWRYMY-WDONWYDGSA-N -1 1 717.379 5.017 40 0 KKABMM COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409007791 1071702631 /nfs/dbraw/zinc/70/26/31/1071702631.db2.gz ROCUZSFFCSGCIF-UVTDQMKNSA-N -1 1 513.207 5.205 40 0 KKABMM O=c1/c(=C/c2cc(Br)cc(I)c2[O-])sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000408757456 1071711980 /nfs/dbraw/zinc/71/19/80/1071711980.db2.gz NMEDRQVSMVDRIS-RWTNITNYSA-N -1 1 641.328 5.391 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409091546 1072270589 /nfs/dbraw/zinc/27/05/89/1072270589.db2.gz VBEKJHOJHXQOJF-QYAMMSNYSA-N -1 1 750.491 5.660 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409090037 1072283970 /nfs/dbraw/zinc/28/39/70/1072283970.db2.gz OFFDEQJPOCCNDH-WNRWPCNTSA-N -1 1 660.575 5.185 40 0 KKABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br ZINC000409100241 1072320498 /nfs/dbraw/zinc/32/04/98/1072320498.db2.gz VPVAYAIKXJUYSD-SYTMLUPUSA-N -1 1 766.490 5.279 40 0 KKABMM COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(Br)c(Sc5nc(C)cc(=O)[n-]5)o4)c(=O)n32)c1 ZINC000409107015 1072340099 /nfs/dbraw/zinc/34/00/99/1072340099.db2.gz PRYCZFWTRVTRNM-WPUHHHFCSA-N -1 1 690.601 5.193 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409105414 1072349827 /nfs/dbraw/zinc/34/98/27/1072349827.db2.gz NHIMNYBSGLZSNS-PGGUJSHWSA-N -1 1 666.604 5.246 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)n1 ZINC000409104378 1072355126 /nfs/dbraw/zinc/35/51/26/1072355126.db2.gz YNXXMNFAIKWBFB-NPHLBUJTSA-N -1 1 623.760 5.546 40 0 KKABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000409343236 1072442324 /nfs/dbraw/zinc/44/23/24/1072442324.db2.gz DDEZIBOCPCGTRI-UHFFFAOYSA-N -1 1 556.065 5.218 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000409350792 1072540465 /nfs/dbraw/zinc/54/04/65/1072540465.db2.gz SFJDEUXFCJKGQQ-UHFFFAOYSA-N -1 1 614.543 5.636 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2ccc(C)c(Br)c2)cc1 ZINC000409371952 1072647104 /nfs/dbraw/zinc/64/71/04/1072647104.db2.gz NAZUSYGAGJMBBL-UHFFFAOYSA-N -1 1 529.438 6.746 40 0 KKABMM O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000409166082 1072650010 /nfs/dbraw/zinc/65/00/10/1072650010.db2.gz CUQYBDGZUVQZOA-UHFFFAOYSA-N -1 1 716.406 6.233 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2ccc(-c3ccc(F)cc3)o2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368599 1072663668 /nfs/dbraw/zinc/66/36/68/1072663668.db2.gz DHAGDXOHDUGKDU-UHFFFAOYSA-N -1 1 520.564 7.074 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000409368686 1072664366 /nfs/dbraw/zinc/66/43/66/1072664366.db2.gz HWPQNEZXONCVOT-UHFFFAOYSA-N -1 1 577.084 7.907 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cccc(I)c2)cc1 ZINC000409368365 1072665491 /nfs/dbraw/zinc/66/54/91/1072665491.db2.gz ZSRSWSLNYUNTPH-UHFFFAOYSA-N -1 1 562.411 6.280 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409367855 1072667704 /nfs/dbraw/zinc/66/77/04/1072667704.db2.gz MUCDWRYWOYCFPY-UHFFFAOYSA-N -1 1 676.000 9.223 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2c(OC(C)C)ccc3ccccc32)cc1 ZINC000409367619 1072669392 /nfs/dbraw/zinc/66/93/92/1072669392.db2.gz GEWLGWAKXAZYMM-UHFFFAOYSA-N -1 1 544.655 7.615 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409175455 1072716136 /nfs/dbraw/zinc/71/61/36/1072716136.db2.gz ZKRMGOTYBPWJSA-PMERELPUSA-N -1 1 626.587 6.863 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409175265 1072717054 /nfs/dbraw/zinc/71/70/54/1072717054.db2.gz ZOJCRMBJZIDWFD-PMERELPUSA-N -1 1 660.139 7.229 40 0 KKABMM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000409173162 1072729480 /nfs/dbraw/zinc/72/94/80/1072729480.db2.gz LKXQODCINNDTOW-UHFFFAOYSA-N -1 1 515.871 6.320 40 0 KKABMM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000409172556 1072733040 /nfs/dbraw/zinc/73/30/40/1072733040.db2.gz KSFVBRNXSYABDT-UHFFFAOYSA-N -1 1 560.322 6.429 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409171816 1072737725 /nfs/dbraw/zinc/73/77/25/1072737725.db2.gz BCVXBSDJELQLTM-PMERELPUSA-N -1 1 625.694 6.575 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409168718 1072753437 /nfs/dbraw/zinc/75/34/37/1072753437.db2.gz RVAAFVZXHLZUAR-UHFFFAOYSA-N -1 1 709.721 5.375 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000409406725 1072756765 /nfs/dbraw/zinc/75/67/65/1072756765.db2.gz CGOOUMSSSIDPST-UHFFFAOYSA-N -1 1 513.443 6.114 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000409412191 1072790645 /nfs/dbraw/zinc/79/06/45/1072790645.db2.gz SZVKRCHXRGMICM-UHFFFAOYSA-N -1 1 567.530 7.103 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc2C)c1C ZINC000409411930 1072790910 /nfs/dbraw/zinc/79/09/10/1072790910.db2.gz NTJHFUZXBMMJEU-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2C)c1C ZINC000409412035 1072791618 /nfs/dbraw/zinc/79/16/18/1072791618.db2.gz QHZJRWQNWYMTIK-UHFFFAOYSA-N -1 1 512.075 5.337 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2C)cc1C ZINC000409411638 1072792620 /nfs/dbraw/zinc/79/26/20/1072792620.db2.gz YHNMKNGPANIJGR-UHFFFAOYSA-N -1 1 598.146 6.428 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000409411667 1072793283 /nfs/dbraw/zinc/79/32/83/1072793283.db2.gz YTXOOSMUTNQYMI-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)cc1Cl ZINC000409411650 1072793383 /nfs/dbraw/zinc/79/33/83/1072793383.db2.gz YODHGJATXHLVFN-UHFFFAOYSA-N -1 1 526.783 5.306 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2C)c1 ZINC000409411738 1072793802 /nfs/dbraw/zinc/79/38/02/1072793802.db2.gz ZKVPTFIOFVJDCD-QHCPKHFHSA-N -1 1 541.673 6.156 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000409411769 1072794437 /nfs/dbraw/zinc/79/44/37/1072794437.db2.gz ZQETUQPIBKTROW-UHFFFAOYSA-N -1 1 576.911 5.161 40 0 KKABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409411340 1072797646 /nfs/dbraw/zinc/79/76/46/1072797646.db2.gz GLMDGNPDTMMAFC-UHFFFAOYSA-N -1 1 574.055 5.114 40 0 KKABMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000409410940 1072799421 /nfs/dbraw/zinc/79/94/21/1072799421.db2.gz ATROSRHLQQUMBD-UHFFFAOYSA-N -1 1 560.322 6.429 40 0 KKABMM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)ccc1C ZINC000409411001 1072800238 /nfs/dbraw/zinc/80/02/38/1072800238.db2.gz SCHIUNHBNHZCGG-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000409410872 1072801255 /nfs/dbraw/zinc/80/12/55/1072801255.db2.gz ROVKGYFWDQLSDZ-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1C ZINC000409410742 1072802740 /nfs/dbraw/zinc/80/27/40/1072802740.db2.gz PFUQSKLRHZEPIY-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3)ccc2C)c1 ZINC000409410713 1072802801 /nfs/dbraw/zinc/80/28/01/1072802801.db2.gz ORKBUXJNOKXROM-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)ccc2C)c1 ZINC000409410538 1072803134 /nfs/dbraw/zinc/80/31/34/1072803134.db2.gz NRVLEDRXVMMBPL-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409180625 1072803666 /nfs/dbraw/zinc/80/36/66/1072803666.db2.gz XILBFZVJQPIXMH-UHFFFAOYSA-N -1 1 634.563 6.027 40 0 KKABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(C)c(C)c4)c3)cc2)c1 ZINC000409410396 1072804736 /nfs/dbraw/zinc/80/47/36/1072804736.db2.gz WJLMNEARKFQOCL-UHFFFAOYSA-N -1 1 630.144 5.828 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1Cl ZINC000409410350 1072804843 /nfs/dbraw/zinc/80/48/43/1072804843.db2.gz VNRLGCKSKJJVKD-UHFFFAOYSA-N -1 1 521.831 5.257 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000409180134 1072805832 /nfs/dbraw/zinc/80/58/32/1072805832.db2.gz VZJLGMLACMWRLE-UHFFFAOYSA-N -1 1 614.543 5.636 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)cc2)cc1 ZINC000409410272 1072806527 /nfs/dbraw/zinc/80/65/27/1072806527.db2.gz LZCAVZRNNFKACG-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409410010 1072808236 /nfs/dbraw/zinc/80/82/36/1072808236.db2.gz SMPPATKGOPVNOZ-UHFFFAOYSA-N -1 1 624.955 6.282 40 0 KKABMM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000409409318 1072810332 /nfs/dbraw/zinc/81/03/32/1072810332.db2.gz HJPPJYINBNGOQJ-UHFFFAOYSA-N -1 1 515.031 6.305 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1I ZINC000409409343 1072811043 /nfs/dbraw/zinc/81/10/43/1072811043.db2.gz NTCOUEISZAJYEE-UHFFFAOYSA-N -1 1 580.753 6.017 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2C)c1C ZINC000409408598 1072814388 /nfs/dbraw/zinc/81/43/88/1072814388.db2.gz JZHFSSSZINDYBX-UHFFFAOYSA-N -1 1 517.607 5.188 40 0 KKABMM Cc1n[nH]c(SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)[O-])n1 ZINC000409188141 1072883641 /nfs/dbraw/zinc/88/36/41/1072883641.db2.gz BDYAIOJDSVZRPT-SXGWCWSVSA-N -1 1 619.222 5.119 40 0 KKABMM Cc1nc(SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)[O-])n[nH]1 ZINC000409188141 1072883651 /nfs/dbraw/zinc/88/36/51/1072883651.db2.gz BDYAIOJDSVZRPT-SXGWCWSVSA-N -1 1 619.222 5.119 40 0 KKABMM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc2oc3ccc(S(=O)(=O)Nc4ccccc4C(F)(F)F)cc3c2c1 ZINC000005942096 552514474 /nfs/dbraw/zinc/51/44/74/552514474.db2.gz SYOJAJFFLLPOCH-UHFFFAOYSA-N -1 1 614.545 7.225 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 ZINC000008810308 553148541 /nfs/dbraw/zinc/14/85/41/553148541.db2.gz HHZQZQWTYKZXJB-UHFFFAOYSA-N -1 1 504.967 5.489 40 0 KKABMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2C)C[C@@H](C(C)(C)C)CC3 ZINC000008870425 553171418 /nfs/dbraw/zinc/17/14/18/553171418.db2.gz CGFXLXUQEGJFKC-KRWDZBQOSA-N -1 1 502.636 6.436 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)cc1 ZINC000010112627 553328782 /nfs/dbraw/zinc/32/87/82/553328782.db2.gz UPGUSFCAWSVPOW-UHFFFAOYSA-N -1 1 504.583 5.444 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3SCc3ccc(Cl)cc3)cc2)cc1 ZINC000010112641 553328801 /nfs/dbraw/zinc/32/88/01/553328801.db2.gz SDTWLHBYVYNQJR-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315098 553332910 /nfs/dbraw/zinc/33/29/10/553332910.db2.gz VXUAPUZKRQKFSY-NRFANRHFSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315099 553332964 /nfs/dbraw/zinc/33/29/64/553332964.db2.gz VXUAPUZKRQKFSY-OAQYLSRUSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315156 553333297 /nfs/dbraw/zinc/33/32/97/553333297.db2.gz PFHYBLXSFPBLFI-UHFFFAOYSA-N -1 1 504.995 5.933 40 0 KKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000010323899 553333440 /nfs/dbraw/zinc/33/34/40/553333440.db2.gz GCTGOFJXTYIVDZ-UHFFFAOYSA-N -1 1 510.965 6.293 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)ccc2C)cc1 ZINC000010336229 553334596 /nfs/dbraw/zinc/33/45/96/553334596.db2.gz OORUDOTWKQXICY-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(I)cc3C)c2C)cc1 ZINC000010366643 553335595 /nfs/dbraw/zinc/33/55/95/553335595.db2.gz SHXACJLQHLCGFM-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010368499 553335871 /nfs/dbraw/zinc/33/58/71/553335871.db2.gz ALLCTURDXNJWAS-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2)cc1 ZINC000014153311 553503209 /nfs/dbraw/zinc/50/32/09/553503209.db2.gz KIZJVBMZCHCVRC-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c1)CCCC2 ZINC000014153557 553503451 /nfs/dbraw/zinc/50/34/51/553503451.db2.gz JVUMIZQHICXSFO-UHFFFAOYSA-N -1 1 512.653 5.392 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C)c(C)c1 ZINC000014154464 553504400 /nfs/dbraw/zinc/50/44/00/553504400.db2.gz DPMHIJWXHABQFM-UHFFFAOYSA-N -1 1 500.620 6.244 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(Cl)c3)ccc2C)c1 ZINC000014154975 553504729 /nfs/dbraw/zinc/50/47/29/553504729.db2.gz QBZNMNCQWSIQFS-UHFFFAOYSA-N -1 1 507.837 6.081 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2C)c1 ZINC000014155472 553505186 /nfs/dbraw/zinc/50/51/86/553505186.db2.gz YRNSCGIWIWYFRJ-UHFFFAOYSA-N -1 1 521.038 7.111 40 0 KKABMM COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1Cl ZINC000014275019 553507975 /nfs/dbraw/zinc/50/79/75/553507975.db2.gz PYVMRBFUUMFOCV-UHFFFAOYSA-N -1 1 502.379 5.951 40 0 KKABMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccccc1Cl ZINC000016284878 553558618 /nfs/dbraw/zinc/55/86/18/553558618.db2.gz CKGVYFJWVYPNMR-VSGBNLITSA-N -1 1 527.068 6.735 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(F)cc1)c(C)c2C ZINC000016779613 553581953 /nfs/dbraw/zinc/58/19/53/553581953.db2.gz RCNXZINKYASTEZ-UHFFFAOYSA-N -1 1 510.587 5.681 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018033554 553601881 /nfs/dbraw/zinc/60/18/81/553601881.db2.gz PFQZZQCRQNQZAQ-ULNSLHSMSA-N -1 1 514.622 5.932 40 0 KKABMM O=C(Nc1ccc(Br)c(Cl)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020455985 553652923 /nfs/dbraw/zinc/65/29/23/553652923.db2.gz AUGDJWKLACRQTM-UHFFFAOYSA-N -1 1 500.201 5.809 40 0 KKABMM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020487423 553659152 /nfs/dbraw/zinc/65/91/52/553659152.db2.gz CINNHMHYMJWHAF-QHCPKHFHSA-N -1 1 517.445 5.663 40 0 KKABMM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020489777 553659929 /nfs/dbraw/zinc/65/99/29/553659929.db2.gz XVWZZAOTMCDPQD-QFIPXVFZSA-N -1 1 517.445 5.663 40 0 KKABMM Cc1ccc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c2ccccc2)cc1 ZINC000020489769 553660037 /nfs/dbraw/zinc/66/00/37/553660037.db2.gz UNFZHJPXLKXXKQ-HHHXNRCGSA-N -1 1 505.039 6.277 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020495585 553667750 /nfs/dbraw/zinc/66/77/50/553667750.db2.gz QPRVIWNPPWQXIY-UHFFFAOYSA-N -1 1 515.012 5.734 40 0 KKABMM Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000020046310 553669991 /nfs/dbraw/zinc/66/99/91/553669991.db2.gz HXZHHVIQBMAVCN-UHFFFAOYSA-N -1 1 526.658 6.577 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cc1 ZINC000020048486 553670391 /nfs/dbraw/zinc/67/03/91/553670391.db2.gz FCGXRDJZGFAJPF-UHFFFAOYSA-N -1 1 503.329 6.374 40 0 KKABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1OC ZINC000020048255 553670526 /nfs/dbraw/zinc/67/05/26/553670526.db2.gz IQQRHDLXVTUFEI-UHFFFAOYSA-N -1 1 507.033 5.197 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cccc(Br)c3)cc2)c1 ZINC000020060710 553672125 /nfs/dbraw/zinc/67/21/25/553672125.db2.gz IKEQRJKITWAELX-UHFFFAOYSA-N -1 1 505.459 5.430 40 0 KKABMM O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000020061063 553673907 /nfs/dbraw/zinc/67/39/07/553673907.db2.gz TVHZERHRKPKDAT-UHFFFAOYSA-N -1 1 514.978 6.281 40 0 KKABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020106778 553690223 /nfs/dbraw/zinc/69/02/23/553690223.db2.gz GOKVXSSDJGWJPW-QFIPXVFZSA-N -1 1 509.411 5.599 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c(Cl)c2)cc1 ZINC000020108924 553691755 /nfs/dbraw/zinc/69/17/55/553691755.db2.gz RHCFPSWHNTVBGW-UHFFFAOYSA-N -1 1 512.031 5.328 40 0 KKABMM CCOc1cc(CNn2cn[n-]c2=S)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022111801 553727094 /nfs/dbraw/zinc/72/70/94/553727094.db2.gz HBOOCHJUMFURAZ-UHFFFAOYSA-N -1 1 504.237 5.731 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(CSc4ccccc4)cc3)c2)cc1 ZINC000022511653 553743006 /nfs/dbraw/zinc/74/30/06/553743006.db2.gz XSDKXYPIZWACEJ-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022533435 553745808 /nfs/dbraw/zinc/74/58/08/553745808.db2.gz AKODIBVTABBQDK-UHFFFAOYSA-N -1 1 518.038 5.956 40 0 KKABMM CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4c(OC)cccc4OC)cc3[O-])nc2c1 ZINC000022829701 553754494 /nfs/dbraw/zinc/75/44/94/553754494.db2.gz OORNFUHLPZEWLM-HNNXBMFYSA-N -1 1 505.596 5.858 40 0 KKABMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000028066526 553837709 /nfs/dbraw/zinc/83/77/09/553837709.db2.gz FBWQXRUOQQVPQM-BJKOFHAPSA-N -1 1 519.026 5.527 40 0 KKABMM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000030854247 553858287 /nfs/dbraw/zinc/85/82/87/553858287.db2.gz JUSMNGXCTVUTBA-UHFFFAOYSA-N -1 1 509.422 5.261 40 0 KKABMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000030870111 553860135 /nfs/dbraw/zinc/86/01/35/553860135.db2.gz BAJCFEPSZZBZDO-CQSZACIVSA-N -1 1 511.452 5.922 40 0 KKABMM Cc1ccc(C2=NN(c3nc(-c4ccc([N-]S(=O)(=O)c5ccc(C)cc5)cc4)cs3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000097966092 553907087 /nfs/dbraw/zinc/90/70/87/553907087.db2.gz KWKWOZMRGANEIF-WJOKGBTCSA-N -1 1 599.181 8.237 40 0 KKABMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C3C(=Cc4ccc(OC)cc4)CCC[C@H]3[C@H]2c2ccc(OC)cc2)n1 ZINC000097979373 553978740 /nfs/dbraw/zinc/97/87/40/553978740.db2.gz KWXPAEFDRPNJAI-LOJQZHSFSA-N -1 1 558.704 5.655 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000100077629 554205171 /nfs/dbraw/zinc/20/51/71/554205171.db2.gz ZXWREZKPBVSHQA-UHFFFAOYSA-N -1 1 545.126 6.458 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)c1 ZINC000100092953 554213613 /nfs/dbraw/zinc/21/36/13/554213613.db2.gz RWNLRYWRVWIKOX-MHZLTWQESA-N -1 1 598.102 5.044 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000100095612 554216214 /nfs/dbraw/zinc/21/62/14/554216214.db2.gz JUZGPXRAWHYWHX-SANMLTNESA-N -1 1 618.520 5.389 40 0 KKABMM CSc1ccc([C@@H](c2c(=O)[nH]c3c(-c4ccccc4)cccc3c2O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000100249338 554261946 /nfs/dbraw/zinc/26/19/46/554261946.db2.gz FFMUDKAAAYNVQQ-HKBQPEDESA-N -1 1 608.719 7.813 40 0 biogenic,in-vitro KKABMM CCc1ccc([C@@H](c2c(O)c3cccc(-c4ccccc4)c3[nH]c2=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000100249325 554261972 /nfs/dbraw/zinc/26/19/72/554261972.db2.gz FEOUZTHPXRJPIX-YTTGMZPUSA-N -1 1 590.679 7.653 40 0 biogenic,in-vitro KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)c2)cc1 ZINC000038752524 554275351 /nfs/dbraw/zinc/27/53/51/554275351.db2.gz IAIWYYJYQBZYAY-UHFFFAOYSA-N -1 1 500.020 5.230 40 0 KKABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3cc(Cl)ccc3n2)cc1C ZINC000041089915 554294895 /nfs/dbraw/zinc/29/48/95/554294895.db2.gz YSBCJQIVQPCJOM-UHFFFAOYSA-N -1 1 500.045 5.366 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3[O-])oc2c1 ZINC000059331524 554389089 /nfs/dbraw/zinc/38/90/89/554389089.db2.gz IQZMJMSEXIAVTD-UHFFFAOYSA-N -1 1 517.994 6.857 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000059852676 554452225 /nfs/dbraw/zinc/45/22/25/554452225.db2.gz KNKNSFDKAJGXLU-AREMUKBSSA-N -1 1 591.755 5.254 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1 ZINC000059852686 554452472 /nfs/dbraw/zinc/45/24/72/554452472.db2.gz GZVMFIFZIJTCAA-UHFFFAOYSA-N -1 1 586.091 5.593 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3)c(Cl)c2)cc1 ZINC000059852957 554453248 /nfs/dbraw/zinc/45/32/48/554453248.db2.gz NCTHDLPCUKLANL-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059858261 554455607 /nfs/dbraw/zinc/45/56/07/554455607.db2.gz BTMGLGVWVZYWCJ-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM O=C(CSCc1cccc(Br)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000059883946 554461406 /nfs/dbraw/zinc/46/14/06/554461406.db2.gz UMKLKBSANPVNQC-UHFFFAOYSA-N -1 1 570.328 5.884 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc2ccccc21 ZINC000059884132 554461709 /nfs/dbraw/zinc/46/17/09/554461709.db2.gz XDBPGOBDNMHNIC-UHFFFAOYSA-N -1 1 612.051 5.718 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059884064 554461714 /nfs/dbraw/zinc/46/17/14/554461714.db2.gz LSHJLVMIRXEOHG-UHFFFAOYSA-N -1 1 617.671 5.957 40 0 KKABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059884210 554462106 /nfs/dbraw/zinc/46/21/06/554462106.db2.gz HOKIVVUTNDWBGM-UHFFFAOYSA-N -1 1 571.680 5.718 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059884313 554462112 /nfs/dbraw/zinc/46/21/12/554462112.db2.gz FEDCRICZCNIWTH-UHFFFAOYSA-N -1 1 598.146 5.846 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(Cl)cc2)cc1 ZINC000059884563 554462803 /nfs/dbraw/zinc/46/28/03/554462803.db2.gz SNCMHOSANYMUES-UHFFFAOYSA-N -1 1 600.118 5.292 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059884662 554462986 /nfs/dbraw/zinc/46/29/86/554462986.db2.gz LCQAEXUYPAZTIU-UHFFFAOYSA-N -1 1 615.733 5.792 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884684 554463101 /nfs/dbraw/zinc/46/31/01/554463101.db2.gz HSVUFCWMOFYCIY-UHFFFAOYSA-N -1 1 567.664 5.077 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000059884952 554463657 /nfs/dbraw/zinc/46/36/57/554463657.db2.gz MMGJKIBJNUUTBK-UHFFFAOYSA-N -1 1 628.172 5.909 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cccc(Cl)c2C)cc1 ZINC000059884881 554463724 /nfs/dbraw/zinc/46/37/24/554463724.db2.gz FRJWUIPTOIKORV-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059885968 554465606 /nfs/dbraw/zinc/46/56/06/554465606.db2.gz FOHYCYWLXRWQMD-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cc(C)cc(C)c2)cc1 ZINC000059886061 554466012 /nfs/dbraw/zinc/46/60/12/554466012.db2.gz CKJHWKBOQKDYRC-UHFFFAOYSA-N -1 1 577.728 5.555 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059886035 554466089 /nfs/dbraw/zinc/46/60/89/554466089.db2.gz YJRWNKASTCMXOX-UHFFFAOYSA-N -1 1 613.761 6.345 40 0 KKABMM Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059886071 554466101 /nfs/dbraw/zinc/46/61/01/554466101.db2.gz VRDSGYMPSRTDSO-UHFFFAOYSA-N -1 1 529.005 6.340 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(Br)cc2)cc1 ZINC000059886598 554466937 /nfs/dbraw/zinc/46/69/37/554466937.db2.gz SSWUUOUVRGNHKW-UHFFFAOYSA-N -1 1 614.543 5.392 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c(C)c1 ZINC000059886950 554467597 /nfs/dbraw/zinc/46/75/97/554467597.db2.gz HALGFDBSTKPFEU-UHFFFAOYSA-N -1 1 590.045 5.181 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000059887331 554468669 /nfs/dbraw/zinc/46/86/69/554468669.db2.gz GGNXWYFVPYMYDV-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059887521 554468979 /nfs/dbraw/zinc/46/89/79/554468979.db2.gz KRXGFXHKNGFBNN-UHFFFAOYSA-N -1 1 593.727 5.255 40 0 KKABMM O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000059887759 554469205 /nfs/dbraw/zinc/46/92/05/554469205.db2.gz QORVDOAPHJVDQZ-UHFFFAOYSA-N -1 1 606.125 6.128 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2F)cc1 ZINC000059887999 554469965 /nfs/dbraw/zinc/46/99/65/554469965.db2.gz HROVCKPNASOPDH-UHFFFAOYSA-N -1 1 621.634 5.788 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000059888249 554470586 /nfs/dbraw/zinc/47/05/86/554470586.db2.gz GBUKVRXKENDMDX-UHFFFAOYSA-N -1 1 570.092 5.359 40 0 KKABMM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059888239 554470609 /nfs/dbraw/zinc/47/06/09/554470609.db2.gz LIEBOYKWELJWMV-UHFFFAOYSA-N -1 1 549.423 6.934 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000059888216 554470630 /nfs/dbraw/zinc/47/06/30/554470630.db2.gz MIJVXYXUSUFVMV-UHFFFAOYSA-N -1 1 620.152 6.513 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cccc(Br)c2)cc1 ZINC000059888647 554471591 /nfs/dbraw/zinc/47/15/91/554471591.db2.gz HEOSESOHWUPNBT-UHFFFAOYSA-N -1 1 614.543 5.392 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000059923023 554472972 /nfs/dbraw/zinc/47/29/72/554472972.db2.gz IBNASUSYZAUZAE-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000059924366 554475236 /nfs/dbraw/zinc/47/52/36/554475236.db2.gz CYGQTQFBSDENTE-UHFFFAOYSA-N -1 1 576.516 6.455 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1C ZINC000060028517 554493216 /nfs/dbraw/zinc/49/32/16/554493216.db2.gz PXKPWNHPJAPAFX-UHFFFAOYSA-N -1 1 540.685 6.885 40 0 KKABMM C[C@H](NC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000060028772 554495234 /nfs/dbraw/zinc/49/52/34/554495234.db2.gz IXNYFNRUPFZOLP-IBGZPJMESA-N -1 1 534.037 5.884 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)c(Cl)c2)cc1 ZINC000060060042 554498155 /nfs/dbraw/zinc/49/81/55/554498155.db2.gz RPJJSAAIZPFLMY-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)c(Cl)c2)cc1 ZINC000060060133 554498328 /nfs/dbraw/zinc/49/83/28/554498328.db2.gz FEZJUUNXSFBNGP-UHFFFAOYSA-N -1 1 574.055 5.641 40 0 KKABMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1ccc(Cl)cc1Cl ZINC000100930911 554527217 /nfs/dbraw/zinc/52/72/17/554527217.db2.gz CQKHJPSJMNBZNB-ULJKERAFSA-N -1 1 561.513 7.388 40 0 KKABMM CC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)cc(Br)c2oc1-c1ccccc1 ZINC000101082477 554579492 /nfs/dbraw/zinc/57/94/92/554579492.db2.gz QYGGMJMCYYNYER-UHFFFAOYSA-N -1 1 549.240 6.628 40 0 KKABMM O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356345 554915089 /nfs/dbraw/zinc/91/50/89/554915089.db2.gz PFPKPVMAACIKJJ-LBPRGKRZSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356435 554915447 /nfs/dbraw/zinc/91/54/47/554915447.db2.gz ZUJLBFGDGXOZQK-GFCCVEGCSA-N -1 1 513.168 5.192 40 0 KKABMM CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000103538164 555437073 /nfs/dbraw/zinc/43/70/73/555437073.db2.gz DLYNJURBUZENLF-FFAHVWSXSA-N -1 1 534.999 6.179 40 0 KKABMM COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)s2)cc1 ZINC000222536907 571368673 /nfs/dbraw/zinc/36/86/73/571368673.db2.gz WGHJJSKNUGMQFK-UHFFFAOYSA-N -1 1 508.625 5.192 40 0 KKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000104018065 571371372 /nfs/dbraw/zinc/37/13/72/571371372.db2.gz ONSHLQDEABEUGP-XMMPIXPASA-N -1 1 529.445 6.744 40 0 KKABMM COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c(F)c1F ZINC000105310513 571396156 /nfs/dbraw/zinc/39/61/56/571396156.db2.gz CABFWVLMBCAQQY-UHFFFAOYSA-N -1 1 519.476 5.509 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Br)cccc45)cc3[O-])nc2c1 ZINC000105310593 571396177 /nfs/dbraw/zinc/39/61/77/571396177.db2.gz GIEXVRRKOJXPLF-UHFFFAOYSA-N -1 1 546.446 6.805 40 0 KKABMM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000105310474 571396179 /nfs/dbraw/zinc/39/61/79/571396179.db2.gz FVBSBPSJOLRSFM-UHFFFAOYSA-N -1 1 605.308 6.478 40 0 KKABMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000105310667 571396201 /nfs/dbraw/zinc/39/62/01/571396201.db2.gz OHCUKRVDDIODFQ-UHFFFAOYSA-N -1 1 530.005 6.560 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])oc2c(C)c1 ZINC000105310468 571396207 /nfs/dbraw/zinc/39/62/07/571396207.db2.gz RCFVUBNSXPGUPR-UHFFFAOYSA-N -1 1 552.439 7.511 40 0 KKABMM COc1c(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc2ccccc2c1Br ZINC000105310510 571396221 /nfs/dbraw/zinc/39/62/21/571396221.db2.gz NQHYTWQEOIYHNH-UHFFFAOYSA-N -1 1 576.472 6.868 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000105871128 571409030 /nfs/dbraw/zinc/40/90/30/571409030.db2.gz PYCDIBKBCWXQCA-UHFFFAOYSA-N -1 1 588.082 5.422 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)ccc2C)c1C ZINC000106244100 571411631 /nfs/dbraw/zinc/41/16/31/571411631.db2.gz KAWYJGGEDBUMQZ-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000106499618 571412746 /nfs/dbraw/zinc/41/27/46/571412746.db2.gz QYLLPLSFMHLYAO-UHFFFAOYSA-N -1 1 604.081 5.123 40 0 KKABMM O=C1S/C(=C\c2cc(I)cc(I)c2[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000106686532 571413756 /nfs/dbraw/zinc/41/37/56/571413756.db2.gz SVNMSAPJTQONAE-NSIKDUERSA-N -1 1 597.599 5.491 40 0 KKABMM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(Br)c(Br)c1[O-] ZINC000106695111 571414096 /nfs/dbraw/zinc/41/40/96/571414096.db2.gz ZFFRQBZLKGTIHI-QPEQYQDCSA-N -1 1 517.170 5.301 40 0 KKABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000107594222 571420450 /nfs/dbraw/zinc/42/04/50/571420450.db2.gz LGTRNYUTXPNOTL-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)cc2)cc1 ZINC000108135729 571422489 /nfs/dbraw/zinc/42/24/89/571422489.db2.gz GUHSEUDNZOQUKV-UHFFFAOYSA-N -1 1 600.118 5.535 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000108191286 571422551 /nfs/dbraw/zinc/42/25/51/571422551.db2.gz CSRBGCMDECDLQF-UHFFFAOYSA-N -1 1 625.794 5.750 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000108256790 571422950 /nfs/dbraw/zinc/42/29/50/571422950.db2.gz AJJJWNKOEAKTAR-MUUNZHRXSA-N -1 1 582.103 6.069 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000109027435 571428051 /nfs/dbraw/zinc/42/80/51/571428051.db2.gz FSRWHVYNYBEKOS-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3)ccc2C)c1 ZINC000109060169 571428287 /nfs/dbraw/zinc/42/82/87/571428287.db2.gz BJIWWFKCIJVZKU-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc2ccccc2c1 ZINC000109107497 571428493 /nfs/dbraw/zinc/42/84/93/571428493.db2.gz GRVWATGVBNHODZ-UHFFFAOYSA-N -1 1 540.972 6.114 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2)cc1 ZINC000109247882 571428860 /nfs/dbraw/zinc/42/88/60/571428860.db2.gz UGAGTRNGAPXWBE-UHFFFAOYSA-N -1 1 537.106 7.302 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)c(C)c1 ZINC000109663858 571429722 /nfs/dbraw/zinc/42/97/22/571429722.db2.gz UFAZJDJBUOZLKP-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)c1C ZINC000109693281 571429814 /nfs/dbraw/zinc/42/98/14/571429814.db2.gz BQEKKERAABXGRU-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3)cc2)cc1 ZINC000109731374 571429903 /nfs/dbraw/zinc/42/99/03/571429903.db2.gz UOCZVUFZOYGYDY-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000110270033 571431004 /nfs/dbraw/zinc/43/10/04/571431004.db2.gz BHZACALOAIDNJL-UHFFFAOYSA-N -1 1 537.006 5.682 40 0 KKABMM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(-c4nc5cc(C(C)C)ccc5o4)c([O-])c3)o2)cc1Cl ZINC000112244513 571435583 /nfs/dbraw/zinc/43/55/83/571435583.db2.gz IFDYLJWHQGUMMW-UKTHLTGXSA-N -1 1 572.086 8.072 40 0 KKABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc(Cl)ccc1Cl ZINC000112256396 571437518 /nfs/dbraw/zinc/43/75/18/571437518.db2.gz FAMRZCSNEYPHKT-UHFFFAOYSA-N -1 1 590.938 5.633 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1F)c1ccccc1Cl ZINC000113511373 571439332 /nfs/dbraw/zinc/43/93/32/571439332.db2.gz MHFIJMVHQJLVDW-UHFFFAOYSA-N -1 1 530.746 5.137 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)cc2C)cc1 ZINC000113619530 571440863 /nfs/dbraw/zinc/44/08/63/571440863.db2.gz KUJSHOFQCBWOFD-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)ccc2Cl)c(C)c1 ZINC000139690513 571453523 /nfs/dbraw/zinc/45/35/23/571453523.db2.gz HPORDHJIWWZCQB-UHFFFAOYSA-N -1 1 571.080 5.206 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)ccc2Cl)c1 ZINC000139743729 571453954 /nfs/dbraw/zinc/45/39/54/571453954.db2.gz FXXDIWSBJMWBAY-UHFFFAOYSA-N -1 1 571.080 5.206 40 0 KKABMM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000140036518 571454543 /nfs/dbraw/zinc/45/45/43/571454543.db2.gz QGYKAYUYKDLDCX-UHFFFAOYSA-N -1 1 549.423 6.685 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000140048124 571454567 /nfs/dbraw/zinc/45/45/67/571454567.db2.gz XVAAVFRRWVUFGE-FQEVSTJZSA-N -1 1 548.064 6.193 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)c2)cc1 ZINC000140095567 571455074 /nfs/dbraw/zinc/45/50/74/571455074.db2.gz ITSOGEDBIIBODP-UHFFFAOYSA-N -1 1 541.673 6.598 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 ZINC000140370629 571455805 /nfs/dbraw/zinc/45/58/05/571455805.db2.gz PLYSXNNJIJXXBU-UHFFFAOYSA-N -1 1 543.925 6.419 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1N1C(=O)CCC1=O ZINC000223350425 571464287 /nfs/dbraw/zinc/46/42/87/571464287.db2.gz VUHNJRBUOHRNBG-UHFFFAOYSA-N -1 1 517.028 5.095 40 0 KKABMM O=C(OC[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1nn[n-]n1)c1ccccc1 ZINC000150401141 571478154 /nfs/dbraw/zinc/47/81/54/571478154.db2.gz PPIWLJYBMXPJOB-BBACVFHCSA-N -1 1 740.725 5.632 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)c1 ZINC000150426046 571490378 /nfs/dbraw/zinc/49/03/78/571490378.db2.gz OXEUKLZXIXBFNY-UHFFFAOYSA-N -1 1 638.089 6.830 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000150426979 571491356 /nfs/dbraw/zinc/49/13/56/571491356.db2.gz SUNBJYPUHRKJIL-UHFFFAOYSA-N -1 1 730.186 8.094 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000150428425 571492168 /nfs/dbraw/zinc/49/21/68/571492168.db2.gz QDQLGZJJZFMENB-UHFFFAOYSA-N -1 1 661.427 5.737 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000150429018 571492464 /nfs/dbraw/zinc/49/24/64/571492464.db2.gz FCLPXYAAXMPWNP-QGZVFWFLSA-N -1 1 650.528 5.994 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)cc1Cl ZINC000150430622 571493328 /nfs/dbraw/zinc/49/33/28/571493328.db2.gz MQRGMOMOGWFJRX-SFHVURJKSA-N -1 1 631.003 5.937 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000150431662 571493665 /nfs/dbraw/zinc/49/36/65/571493665.db2.gz HWJUPGJQQHFUSZ-NRFANRHFSA-N -1 1 632.591 6.128 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000150432177 571494019 /nfs/dbraw/zinc/49/40/19/571494019.db2.gz UHPHNXQPPNIGPE-MHZLTWQESA-N -1 1 632.547 5.530 40 0 KKABMM COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000150443739 571499431 /nfs/dbraw/zinc/49/94/31/571499431.db2.gz DQRGIZOMOQQUHB-KJIIYRGSSA-N -1 1 642.177 7.595 40 0 KKABMM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(Br)cc(I)c4[O-])c(=O)n31)c1ccccc1CC2 ZINC000163190454 571532538 /nfs/dbraw/zinc/53/25/38/571532538.db2.gz MLHWACYMIQYXOP-PLQXQRLBSA-N -1 1 671.354 5.400 40 0 KKABMM COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163268610 571534635 /nfs/dbraw/zinc/53/46/35/571534635.db2.gz OCAFMEXETOBVJN-LNXFQTKESA-N -1 1 748.380 5.251 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000163447860 571535501 /nfs/dbraw/zinc/53/55/01/571535501.db2.gz CUOVPRXTTXQHHT-MFUBYVTQSA-N -1 1 695.417 5.775 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164530175 571549466 /nfs/dbraw/zinc/54/94/66/571549466.db2.gz XOPBRFOWMAFFCA-WDONWYDGSA-N -1 1 717.379 5.017 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(Br)cc2)cc1 ZINC000197822031 571564737 /nfs/dbraw/zinc/56/47/37/571564737.db2.gz FQKUQWDQGKPNQG-UHFFFAOYSA-N -1 1 682.540 6.411 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000197822184 571564757 /nfs/dbraw/zinc/56/47/57/571564757.db2.gz LVBWPLDHXCNICF-UHFFFAOYSA-N -1 1 672.534 6.955 40 0 KKABMM O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000197827594 571565160 /nfs/dbraw/zinc/56/51/60/571565160.db2.gz 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ZINC000197828214 571565432 /nfs/dbraw/zinc/56/54/32/571565432.db2.gz UJICQXWLDXYHLR-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000197831420 571565701 /nfs/dbraw/zinc/56/57/01/571565701.db2.gz NNZYQHVKRQKJHD-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000197850263 571565890 /nfs/dbraw/zinc/56/58/90/571565890.db2.gz ZAXPPQVUKDORIP-UHFFFAOYSA-N -1 1 644.480 6.866 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2Cl)cc1 ZINC000197969703 571566193 /nfs/dbraw/zinc/56/61/93/571566193.db2.gz WPOLFARNBDMFTP-UHFFFAOYSA-N -1 1 624.062 6.521 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000197965654 571566219 /nfs/dbraw/zinc/56/62/19/571566219.db2.gz NCNWVMBLYXEKBT-OAQYLSRUSA-N -1 1 644.137 5.773 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000197981775 571566408 /nfs/dbraw/zinc/56/64/08/571566408.db2.gz OHMLCGYPPOBYRQ-UHFFFAOYSA-N -1 1 694.979 6.103 40 0 KKABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000198310959 571566956 /nfs/dbraw/zinc/56/69/56/571566956.db2.gz MTYNXHMJIUQNJQ-UHFFFAOYSA-N -1 1 633.670 5.657 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000198312875 571567151 /nfs/dbraw/zinc/56/71/51/571567151.db2.gz SKSBCSQJEXZRHZ-UHFFFAOYSA-N -1 1 633.670 5.739 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000198313329 571567233 /nfs/dbraw/zinc/56/72/33/571567233.db2.gz CDLXBLFXRUGYKS-UHFFFAOYSA-N -1 1 647.778 7.288 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000198314031 571567259 /nfs/dbraw/zinc/56/72/59/571567259.db2.gz 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O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198319301 571567879 /nfs/dbraw/zinc/56/78/79/571567879.db2.gz RLYYKZYOBWJHBA-UHFFFAOYSA-N -1 1 726.504 7.666 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000198320570 571567894 /nfs/dbraw/zinc/56/78/94/571567894.db2.gz LOMMWINLTPNTKJ-UHFFFAOYSA-N -1 1 633.670 5.657 40 0 KKABMM O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000198320341 571567900 /nfs/dbraw/zinc/56/79/00/571567900.db2.gz KZTZZCJBINOPIE-UHFFFAOYSA-N -1 1 669.406 6.391 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000198320796 571568014 /nfs/dbraw/zinc/56/80/14/571568014.db2.gz XUSZKTUHCXYFDN-UHFFFAOYSA-N -1 1 702.560 7.046 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000215917818 571587609 /nfs/dbraw/zinc/58/76/09/571587609.db2.gz CDRROFRSYWLQFE-UHFFFAOYSA-N -1 1 641.009 5.392 40 0 KKABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000215919703 571587853 /nfs/dbraw/zinc/58/78/53/571587853.db2.gz LNNXPLMRJIKJQI-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2)cc1 ZINC000215922416 571587915 /nfs/dbraw/zinc/58/79/15/571587915.db2.gz XDAWYUWNMCWYMX-UHFFFAOYSA-N -1 1 562.113 5.266 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)cc2)cc1 ZINC000215926385 571587924 /nfs/dbraw/zinc/58/79/24/571587924.db2.gz NEPMKZWTYJJTFX-UHFFFAOYSA-N -1 1 586.091 5.511 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)cc1 ZINC000215928535 571588123 /nfs/dbraw/zinc/58/81/23/571588123.db2.gz GESWZCJEIZXCNN-UHFFFAOYSA-N -1 1 541.673 6.598 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000215949967 571589040 /nfs/dbraw/zinc/58/90/40/571589040.db2.gz RCRLLJVBNYENGB-UHFFFAOYSA-N -1 1 641.009 5.392 40 0 KKABMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1C ZINC000215957053 571589443 /nfs/dbraw/zinc/58/94/43/571589443.db2.gz SZBOWYDKCUKGJI-INIZCTEOSA-N -1 1 526.964 6.182 40 0 KKABMM O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215965886 571589839 /nfs/dbraw/zinc/58/98/39/571589839.db2.gz OWPGEVJXYJCGPO-UHFFFAOYSA-N -1 1 525.001 5.789 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)cc1Cl ZINC000215968075 571589877 /nfs/dbraw/zinc/58/98/77/571589877.db2.gz XZJHUNTYEQQUEL-QHCPKHFHSA-N -1 1 590.167 5.062 40 0 KKABMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000215981975 571590689 /nfs/dbraw/zinc/59/06/89/571590689.db2.gz ROKXYARZXCEVGO-NRFANRHFSA-N -1 1 526.964 6.264 40 0 KKABMM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000215988154 571590823 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ZINC000216332539 571595080 /nfs/dbraw/zinc/59/50/80/571595080.db2.gz CBVAEUOKEQUJJF-GOSISDBHSA-N -1 1 517.047 5.738 40 0 KKABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1OC ZINC000216380692 571595398 /nfs/dbraw/zinc/59/53/98/571595398.db2.gz RXDLREPDLDRHBL-UHFFFAOYSA-N -1 1 594.089 5.383 40 0 KKABMM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1OCC ZINC000216413266 571595881 /nfs/dbraw/zinc/59/58/81/571595881.db2.gz NODJVXRYUKLXFM-UHFFFAOYSA-N -1 1 517.047 5.818 40 0 KKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000216431089 571596262 /nfs/dbraw/zinc/59/62/62/571596262.db2.gz DIHKNMNHUXBRNI-XMMPIXPASA-N -1 1 562.997 7.109 40 0 KKABMM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)ccc1Cl ZINC000216463333 571596661 /nfs/dbraw/zinc/59/66/61/571596661.db2.gz BUYTZBQWGQNLNC-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)cc1Cl ZINC000225071041 571644073 /nfs/dbraw/zinc/64/40/73/571644073.db2.gz CJHAEFJPIKHJJA-UHFFFAOYSA-N -1 1 514.228 6.117 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)ccc2C)c1C ZINC000225146673 571651985 /nfs/dbraw/zinc/65/19/85/571651985.db2.gz NESKICSNEDFHCP-UHFFFAOYSA-N -1 1 509.653 5.622 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000225475442 571845822 /nfs/dbraw/zinc/84/58/22/571845822.db2.gz KLJCTOAQBMQHAB-RPBOFIJWSA-N -1 1 554.097 5.083 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000225475405 571845877 /nfs/dbraw/zinc/84/58/77/571845877.db2.gz KLJCTOAQBMQHAB-DQEYMECFSA-N -1 1 554.097 5.083 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(C)cc3)o2)cc1[N-]S(C)(=O)=O ZINC000225477563 571847791 /nfs/dbraw/zinc/84/77/91/571847791.db2.gz QBKVGMDCMLZRQB-CLJLJLNGSA-N -1 1 566.730 5.691 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)cc1[N-]S(C)(=O)=O ZINC000225488755 571859364 /nfs/dbraw/zinc/85/93/64/571859364.db2.gz IETRVQAIFISHPK-VMPREFPWSA-N -1 1 569.712 5.583 40 0 KKABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)ccc1Cl ZINC000225787802 572068270 /nfs/dbraw/zinc/06/82/70/572068270.db2.gz LSQFDQVXBSJIAN-UHFFFAOYSA-N -1 1 523.419 5.006 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225791946 572068938 /nfs/dbraw/zinc/06/89/38/572068938.db2.gz SWVANFMHBQWDKU-UHFFFAOYSA-N -1 1 515.056 5.887 40 0 KKABMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1)N1CCCCC1 ZINC000225793944 572069995 /nfs/dbraw/zinc/06/99/95/572069995.db2.gz ZGVGHHVIGAUSMX-UHFFFAOYSA-N -1 1 542.082 5.192 40 0 KKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225799215 572070648 /nfs/dbraw/zinc/07/06/48/572070648.db2.gz OBXYMWOZKLNHMF-UHFFFAOYSA-N -1 1 537.062 6.145 40 0 KKABMM CCc1cc(Br)cc(C)c1NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000226053104 572117595 /nfs/dbraw/zinc/11/75/95/572117595.db2.gz GIECSIUSCJTRLI-UHFFFAOYSA-N -1 1 515.473 6.000 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(I)cc1 ZINC000408531387 572175633 /nfs/dbraw/zinc/17/56/33/572175633.db2.gz MXDHWMSPVUHQOK-UHFFFAOYSA-N -1 1 577.227 5.416 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408531044 572174354 /nfs/dbraw/zinc/17/43/54/572174354.db2.gz LQIIMMHKVJRZHF-UHFFFAOYSA-N -1 1 555.483 6.402 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Br)cc1 ZINC000408531090 572174458 /nfs/dbraw/zinc/17/44/58/572174458.db2.gz LZMXJJLLIASITF-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408543882 572213722 /nfs/dbraw/zinc/21/37/22/572213722.db2.gz FSVASWKHPQARDL-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(I)cc1 ZINC000408544558 572215795 /nfs/dbraw/zinc/21/57/95/572215795.db2.gz HQCHICSDTDTGIJ-UHFFFAOYSA-N -1 1 580.753 6.017 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)c1C ZINC000408545580 572219754 /nfs/dbraw/zinc/21/97/54/572219754.db2.gz VILSAVNWSYDLSM-UHFFFAOYSA-N -1 1 534.419 5.578 40 0 KKABMM Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408545715 572220649 /nfs/dbraw/zinc/22/06/49/572220649.db2.gz MVQOTKSJOPBHGQ-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)ccc2C)c1 ZINC000408545750 572220655 /nfs/dbraw/zinc/22/06/55/572220655.db2.gz NVUJZLNUYZWFIS-UHFFFAOYSA-N -1 1 584.119 6.119 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408545704 572220666 /nfs/dbraw/zinc/22/06/66/572220666.db2.gz MRVDEYPRXQZKCJ-UHFFFAOYSA-N -1 1 646.212 6.095 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)ccc2C)c1 ZINC000408546208 572222157 /nfs/dbraw/zinc/22/21/57/572222157.db2.gz CUERRIFGCXHPIH-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)ccc2C)c1 ZINC000408546426 572222812 /nfs/dbraw/zinc/22/28/12/572222812.db2.gz SINYXIODWWLDHX-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2C)c1 ZINC000408546520 572223361 /nfs/dbraw/zinc/22/33/61/572223361.db2.gz TYMHTWCINMQVMG-UHFFFAOYSA-N -1 1 502.661 6.816 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)ccc2C)c1 ZINC000408547332 572225125 /nfs/dbraw/zinc/22/51/25/572225125.db2.gz YXVQOYWVUPLWTD-UHFFFAOYSA-N -1 1 618.564 6.773 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3Cl)ccc2C)c(C)c1 ZINC000408547257 572225139 /nfs/dbraw/zinc/22/51/39/572225139.db2.gz XRTGAVLGTFBIBR-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408547260 572225153 /nfs/dbraw/zinc/22/51/53/572225153.db2.gz XUSRLLGNFYRGOH-UHFFFAOYSA-N -1 1 577.728 5.501 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408547520 572225612 /nfs/dbraw/zinc/22/56/12/572225612.db2.gz ZDJOWMKWBXUQAK-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408547833 572227381 /nfs/dbraw/zinc/22/73/81/572227381.db2.gz NOUXQSQTYANASJ-UHFFFAOYSA-N -1 1 598.146 5.846 40 0 KKABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c1 ZINC000408547786 572227399 /nfs/dbraw/zinc/22/73/99/572227399.db2.gz MVQCCAXVZUWRAO-UHFFFAOYSA-N -1 1 563.701 5.774 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)cc2)cc1 ZINC000408548113 572227720 /nfs/dbraw/zinc/22/77/20/572227720.db2.gz PJYRKXUPYHZQLV-UHFFFAOYSA-N -1 1 500.664 6.588 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408548784 572229761 /nfs/dbraw/zinc/22/97/61/572229761.db2.gz VCEPBAQDTFAGNE-UHFFFAOYSA-N -1 1 651.660 5.878 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)c1 ZINC000408549357 572231373 /nfs/dbraw/zinc/23/13/73/572231373.db2.gz YFKQADSBMGDULG-UHFFFAOYSA-N -1 1 505.640 5.419 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408553121 572239786 /nfs/dbraw/zinc/23/97/86/572239786.db2.gz OAQVHNIMOGUQOP-UHFFFAOYSA-N -1 1 554.666 6.772 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408553377 572240308 /nfs/dbraw/zinc/24/03/08/572240308.db2.gz VSEYUNHHMSHWEV-UHFFFAOYSA-N -1 1 542.782 5.006 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408554584 572241933 /nfs/dbraw/zinc/24/19/33/572241933.db2.gz CLNUGMQZTAQVKX-UHFFFAOYSA-N -1 1 530.227 5.818 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408558247 572245534 /nfs/dbraw/zinc/24/55/34/572245534.db2.gz PZICAFTWQJYCDZ-UHFFFAOYSA-N -1 1 530.227 5.818 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408560025 572247304 /nfs/dbraw/zinc/24/73/04/572247304.db2.gz ZOBGWBAFUFDODE-UHFFFAOYSA-N -1 1 509.809 5.554 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408562098 572248677 /nfs/dbraw/zinc/24/86/77/572248677.db2.gz XTPVPVXOLHJXNQ-UHFFFAOYSA-N -1 1 543.428 6.604 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000408584328 572265674 /nfs/dbraw/zinc/26/56/74/572265674.db2.gz OEAYQXPNELHAPT-UHFFFAOYSA-N -1 1 541.456 6.079 40 0 KKABMM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408590590 572267797 /nfs/dbraw/zinc/26/77/97/572267797.db2.gz JXDJEXDZBIYRMP-UHFFFAOYSA-N -1 1 540.991 6.302 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)ccc21 ZINC000408592376 572268548 /nfs/dbraw/zinc/26/85/48/572268548.db2.gz KCJLKUIKIMWCOE-UHFFFAOYSA-N -1 1 511.647 6.495 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NCCC1=CCCCC1 ZINC000408596476 572270993 /nfs/dbraw/zinc/27/09/93/572270993.db2.gz WGFMFYONQMLPHH-UHFFFAOYSA-N -1 1 516.969 5.545 40 0 KKABMM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408597375 572271536 /nfs/dbraw/zinc/27/15/36/572271536.db2.gz YWRKCJRIRWHZBZ-UHFFFAOYSA-N -1 1 585.000 6.134 40 0 KKABMM Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408597238 572271594 /nfs/dbraw/zinc/27/15/94/572271594.db2.gz YBWGXSBQRMGSND-UHFFFAOYSA-N -1 1 533.355 6.139 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2C)cc1C ZINC000408616482 572278802 /nfs/dbraw/zinc/27/88/02/572278802.db2.gz ZEKIGCVGDNHGKW-UHFFFAOYSA-N -1 1 519.667 5.681 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408625495 572283529 /nfs/dbraw/zinc/28/35/29/572283529.db2.gz STMSATFDJHRGHD-UHFFFAOYSA-N -1 1 560.335 5.672 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2C)c1 ZINC000408626877 572284093 /nfs/dbraw/zinc/28/40/93/572284093.db2.gz XYNQYDVVDDGYSO-UHFFFAOYSA-N -1 1 528.718 7.133 40 0 KKABMM O=C([O-])C(=Cc1ccc(-c2ccc(Br)cc2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632405 572288755 /nfs/dbraw/zinc/28/87/55/572288755.db2.gz FPDMAKWMINCSLO-WQRHYEAKSA-N -1 1 502.777 6.365 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(OCc3cccc4ccccc43)c2)C(=O)[O-])n1 ZINC000408630552 572286351 /nfs/dbraw/zinc/28/63/51/572286351.db2.gz BOOJGOGLKLJJMO-YSMPRRRNSA-N -1 1 544.032 7.084 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408630991 572286805 /nfs/dbraw/zinc/28/68/05/572286805.db2.gz BLKAKRHTZCFVSA-MYKKPKGFSA-N -1 1 537.569 5.433 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)C(=O)[O-])n1 ZINC000408631195 572287154 /nfs/dbraw/zinc/28/71/54/572287154.db2.gz FXBGIKNTVISDST-ZMFRSBBQSA-N -1 1 566.079 6.864 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3cccc4ccccc43)c(OC)c2)C(=O)[O-])n1 ZINC000408631501 572287599 /nfs/dbraw/zinc/28/75/99/572287599.db2.gz JRQPCQPNFJXBAU-DICXZTSXSA-N -1 1 574.058 7.092 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408631739 572287912 /nfs/dbraw/zinc/28/79/12/572287912.db2.gz BJRPGYBFEASHPZ-XKZIYDEJSA-N -1 1 572.868 6.693 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cc(Br)ccc3Br)o2)C(=O)[O-])n1 ZINC000408631663 572287918 /nfs/dbraw/zinc/28/79/18/572287918.db2.gz LCTGWYJCYPWAKK-VXLYETTFSA-N -1 1 611.699 7.137 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)ccc3OCc3ccc(C)cc3)C(=O)[O-])n2)c1 ZINC000408631756 572287996 /nfs/dbraw/zinc/28/79/96/572287996.db2.gz GESBMKOIPMAXSB-CFRMEGHHSA-N -1 1 582.476 6.357 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)cc(Br)c2OC)C(=O)[O-])n1 ZINC000408631893 572288161 /nfs/dbraw/zinc/28/81/61/572288161.db2.gz MWOWGILXPZFHLU-UUASQNMZSA-N -1 1 575.666 5.885 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408632319 572288688 /nfs/dbraw/zinc/28/86/88/572288688.db2.gz DGOYGLKOYROWMZ-JJFYIABZSA-N -1 1 562.862 7.237 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)[O-])n1 ZINC000408632491 572288860 /nfs/dbraw/zinc/28/88/60/572288860.db2.gz QNCFARYHQBJWPA-FMCGGJTJSA-N -1 1 558.443 6.593 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000408632512 572288908 /nfs/dbraw/zinc/28/89/08/572288908.db2.gz QQMWXRWUJOWEOQ-MSXFZWOLSA-N -1 1 578.025 6.084 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000408632533 572288970 /nfs/dbraw/zinc/28/89/70/572288970.db2.gz QZBBTVVCETWBDR-MSXFZWOLSA-N -1 1 595.906 7.117 40 0 KKABMM O=C([O-])C(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632680 572289081 /nfs/dbraw/zinc/28/90/81/572289081.db2.gz GVCKUXDIAAWXAQ-KSEXSDGBSA-N -1 1 555.874 7.653 40 0 KKABMM CCOc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1Br ZINC000408632868 572289436 /nfs/dbraw/zinc/28/94/36/572289436.db2.gz UMAZJWOJQMZABB-MFOYZWKCSA-N -1 1 510.797 5.513 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccccc2F)c(Br)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632981 572289583 /nfs/dbraw/zinc/28/95/83/572289583.db2.gz ILVGMDQXTDHUJR-MTJSOVHGSA-N -1 1 560.832 6.824 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])n1 ZINC000408633200 572289828 /nfs/dbraw/zinc/28/98/28/572289828.db2.gz XALHWOUSOKALIZ-MXAYSNPKSA-N -1 1 599.927 7.970 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C(=O)[O-])n1 ZINC000408633378 572290087 /nfs/dbraw/zinc/29/00/87/572290087.db2.gz XZRQHTYXSKSGIS-JJFYIABZSA-N -1 1 637.339 7.355 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OC)c(Br)c3)C(=O)[O-])n2)c1 ZINC000408633559 572290295 /nfs/dbraw/zinc/29/02/95/572290295.db2.gz NWFZBSOAPDCQGT-SOFYXZRVSA-N -1 1 571.247 5.240 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634082 572290937 /nfs/dbraw/zinc/29/09/37/572290937.db2.gz OSEYNJOAJUCXFN-NHDPSOOVSA-N -1 1 532.836 7.229 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C(=O)[O-])n2)c1 ZINC000408634021 572290979 /nfs/dbraw/zinc/29/09/79/572290979.db2.gz RBKYXCNPZJXRKV-UNOMPAQXSA-N -1 1 516.000 6.104 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)C(=O)[O-])n2)c1 ZINC000408634181 572291115 /nfs/dbraw/zinc/29/11/15/572291115.db2.gz RTFQOWPUPFGNKM-NYAPKIOYSA-N -1 1 637.339 7.355 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634270 572291204 /nfs/dbraw/zinc/29/12/04/572291204.db2.gz SYYAYSVGVRVXDQ-KSEXSDGBSA-N -1 1 554.024 5.948 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(-c4ccc(Br)cc4)o3)C(=O)[O-])n2)c1 ZINC000408634257 572291244 /nfs/dbraw/zinc/29/12/44/572291244.db2.gz SVHVBCFHQVDTTD-NDENLUEZSA-N -1 1 528.384 5.729 40 0 KKABMM COc1c(I)cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1I ZINC000408634644 572291702 /nfs/dbraw/zinc/29/17/02/572291702.db2.gz TVPQJUVLYWYRHK-ZSOIEALJSA-N -1 1 639.640 5.561 40 0 KKABMM O=C([O-])C(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634799 572291824 /nfs/dbraw/zinc/29/18/24/572291824.db2.gz UUGBFCXGCKBLFU-MTJSOVHGSA-N -1 1 532.836 7.229 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)C(=O)[O-])n2)c1 ZINC000408635127 572292176 /nfs/dbraw/zinc/29/21/76/572292176.db2.gz ZCFVAGDCUOTARI-RMORIDSASA-N -1 1 592.888 7.246 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000408636105 572293024 /nfs/dbraw/zinc/29/30/24/572293024.db2.gz LGXBXJPHURDZCS-UHFFFAOYSA-N -1 1 559.496 6.963 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cccc(Cl)c1Cl ZINC000408636125 572293027 /nfs/dbraw/zinc/29/30/27/572293027.db2.gz LJLFLFMVUBDWSQ-UHFFFAOYSA-N -1 1 520.221 6.119 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Br)cc1 ZINC000408637102 572294099 /nfs/dbraw/zinc/29/40/99/572294099.db2.gz XRXFDYFNXJWIIP-UHFFFAOYSA-N -1 1 530.227 5.574 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408637096 572294147 /nfs/dbraw/zinc/29/41/47/572294147.db2.gz XNNNGIBPPIRZCO-UHFFFAOYSA-N -1 1 577.873 7.257 40 0 KKABMM O=C([N-]N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O)c1ccc(Cl)cc1Cl ZINC000408659621 572307985 /nfs/dbraw/zinc/30/79/85/572307985.db2.gz WCSLMTWWDGMWGY-UHFFFAOYSA-N -1 1 650.730 5.984 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000408677480 572319108 /nfs/dbraw/zinc/31/91/08/572319108.db2.gz DAZHPRSAPGKIIF-UHFFFAOYSA-N -1 1 598.146 5.475 40 0 KKABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)CC2)cc1 ZINC000408680912 572321426 /nfs/dbraw/zinc/32/14/26/572321426.db2.gz SZZBNFXQBLZOAL-UHFFFAOYSA-N -1 1 594.180 5.211 40 0 KKABMM Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000408680961 572321464 /nfs/dbraw/zinc/32/14/64/572321464.db2.gz UOVAERMZQBBMSM-UHFFFAOYSA-N -1 1 630.110 5.649 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cccc(Cl)c2C)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423088 1069717713 /nfs/dbraw/zinc/71/77/13/1069717713.db2.gz WOJCQGJFRFPIGP-UHFFFAOYSA-N -1 1 551.046 7.488 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000108423136 1069718269 /nfs/dbraw/zinc/71/82/69/1069718269.db2.gz CNENDAXWDSHTKV-UHFFFAOYSA-N -1 1 570.571 7.545 40 0 KKABMM CCOC(=O)c1cccc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)c1 ZINC000108423127 1069718630 /nfs/dbraw/zinc/71/86/30/1069718630.db2.gz BZDIUSQXEOJDDY-UHFFFAOYSA-N -1 1 574.637 6.703 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCC(C)C ZINC000108423317 1069720071 /nfs/dbraw/zinc/72/00/71/1069720071.db2.gz QUDOBIYRRWRXJY-UHFFFAOYSA-N -1 1 538.648 6.310 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Cl)c1OC ZINC000108423432 1069720821 /nfs/dbraw/zinc/72/08/21/1069720821.db2.gz SZLBZGCAHYZBBH-UHFFFAOYSA-N -1 1 531.012 5.937 40 0 KKABMM CCCCOc1c(Br)cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000108423378 1069720926 /nfs/dbraw/zinc/72/09/26/1069720926.db2.gz KIJYUDYHQXVIGS-UHFFFAOYSA-N -1 1 617.544 7.216 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Br)c1OCC(C)C ZINC000108423409 1069720977 /nfs/dbraw/zinc/72/09/77/1069720977.db2.gz CAPAQULLNONFIE-UHFFFAOYSA-N -1 1 631.571 7.462 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(Cl)c1OCc1ccccc1 ZINC000108423453 1069721946 /nfs/dbraw/zinc/72/19/46/1069721946.db2.gz MRDSGRIZMOBXPE-UHFFFAOYSA-N -1 1 621.137 7.897 40 0 KKABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000408711459 1069735118 /nfs/dbraw/zinc/73/51/18/1069735118.db2.gz YUIASGAJJRPQCV-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000409175307 1069795032 /nfs/dbraw/zinc/79/50/32/1069795032.db2.gz ZWRVIZAOIYXKCW-UHFFFAOYSA-N -1 1 507.409 6.169 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2)cc1 ZINC000409177386 1069796235 /nfs/dbraw/zinc/79/62/35/1069796235.db2.gz DAEKMAMOSFYWPM-UHFFFAOYSA-N -1 1 563.701 5.490 40 0 KKABMM O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408920394 1070226038 /nfs/dbraw/zinc/22/60/38/1070226038.db2.gz GAEZYGLSPKDKEC-UHFFFAOYSA-N -1 1 625.050 5.389 40 0 KKABMM O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408920573 1070227244 /nfs/dbraw/zinc/22/72/44/1070227244.db2.gz IYQIJRSXEIRBCW-UHFFFAOYSA-N -1 1 640.570 6.781 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408921088 1070228473 /nfs/dbraw/zinc/22/84/73/1070228473.db2.gz SACVHZXPZCQDOW-UHFFFAOYSA-N -1 1 684.114 6.011 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cccc(Br)c3)cc2)c1 ZINC000408922264 1070229745 /nfs/dbraw/zinc/22/97/45/1070229745.db2.gz YVQJJJCDWCZHBB-UHFFFAOYSA-N -1 1 519.486 5.739 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408926805 1070238977 /nfs/dbraw/zinc/23/89/77/1070238977.db2.gz ZHSHVMOVPKELOA-UHFFFAOYSA-N -1 1 628.172 5.990 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccccc2Cl)cc1 ZINC000408924338 1070242538 /nfs/dbraw/zinc/24/25/38/1070242538.db2.gz GXQFMVSAGNJWSF-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000408928754 1070252460 /nfs/dbraw/zinc/25/24/60/1070252460.db2.gz HMFPVMQJGOLYQR-OVCLIPMQSA-N -1 1 570.259 5.218 40 0 KKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1cc(OC)ccc1OC ZINC000408992483 1070360092 /nfs/dbraw/zinc/36/00/92/1070360092.db2.gz SWRJNGSLGZIUPP-UHFFFAOYSA-N -1 1 520.651 6.718 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409100364 1070533355 /nfs/dbraw/zinc/53/33/55/1070533355.db2.gz MXCOHZAECCQPQL-QTQKINJDSA-N -1 1 779.438 5.180 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409370851 1070894439 /nfs/dbraw/zinc/89/44/39/1070894439.db2.gz CAQWMNKHRKSFNE-UHFFFAOYSA-N -1 1 641.555 8.569 40 0 KKABMM CCCCO[C@@H]1C=CC=C[C@H]1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000408736883 1070951122 /nfs/dbraw/zinc/95/11/22/1070951122.db2.gz BMUKYULUWDZTLS-CLJLJLNGSA-N -1 1 510.638 6.145 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000408927203 1071070138 /nfs/dbraw/zinc/07/01/38/1071070138.db2.gz UAOSUJOOBYERQW-UHFFFAOYSA-N -1 1 631.698 6.265 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408923989 1071085904 /nfs/dbraw/zinc/08/59/04/1071085904.db2.gz MONBLYWTXDXTCY-UHFFFAOYSA-N -1 1 579.700 5.029 40 0 KKABMM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408923741 1071085711 /nfs/dbraw/zinc/08/57/11/1071085711.db2.gz LKZOTOJNDSFWON-INIZCTEOSA-N -1 1 505.459 5.510 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000408923240 1071088810 /nfs/dbraw/zinc/08/88/10/1071088810.db2.gz AWAGBVTYCKAPJM-UHFFFAOYSA-N -1 1 671.641 6.667 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)cc2)c1 ZINC000408922238 1071093058 /nfs/dbraw/zinc/09/30/58/1071093058.db2.gz YIVBSJIXYHLNDG-LGUFXXKBSA-N -1 1 503.023 6.629 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)c1 ZINC000408921491 1071095284 /nfs/dbraw/zinc/09/52/84/1071095284.db2.gz AFJQZCBAWOJWDJ-UHFFFAOYSA-N -1 1 563.701 5.323 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1Br ZINC000408920817 1071099200 /nfs/dbraw/zinc/09/92/00/1071099200.db2.gz OBCUZQKLYUNCBO-UHFFFAOYSA-N -1 1 679.014 6.054 40 0 KKABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCN(c5ccccc5)CC4)cc3)cc2)c1 ZINC000408920251 1071106487 /nfs/dbraw/zinc/10/64/87/1071106487.db2.gz CZTRLSPNGCCIRI-UHFFFAOYSA-N -1 1 586.714 5.079 40 0 KKABMM Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000408920426 1071104936 /nfs/dbraw/zinc/10/49/36/1071104936.db2.gz HHHOYLWNZDNQAK-UHFFFAOYSA-N -1 1 694.662 8.059 40 0 KKABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000408920455 1071105047 /nfs/dbraw/zinc/10/50/47/1071105047.db2.gz IEKVXUYNWPCMIG-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408927513 1071195117 /nfs/dbraw/zinc/19/51/17/1071195117.db2.gz WJFPRZDWMXVXFF-UHFFFAOYSA-N -1 1 666.143 7.117 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000408927358 1071196361 /nfs/dbraw/zinc/19/63/61/1071196361.db2.gz ZYYJOLOBIYRGCJ-UHFFFAOYSA-N -1 1 509.052 6.685 40 0 KKABMM O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408927338 1071198559 /nfs/dbraw/zinc/19/85/59/1071198559.db2.gz ZJTMNNVIAXRHJH-UHFFFAOYSA-N -1 1 692.059 7.012 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000198318711 1071210317 /nfs/dbraw/zinc/21/03/17/1071210317.db2.gz XILQXMVCAUUQQP-UHFFFAOYSA-N -1 1 660.217 7.405 40 0 KKABMM Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000408694865 1071386478 /nfs/dbraw/zinc/38/64/78/1071386478.db2.gz ILOGSNCOJVOZRY-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C ZINC000408693228 1071391797 /nfs/dbraw/zinc/39/17/97/1071391797.db2.gz RLTONJZGEZDLKS-MRXNPFEDSA-N -1 1 526.964 6.182 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000408694096 1071389050 /nfs/dbraw/zinc/38/90/50/1071389050.db2.gz BHNVOAJCGUILSI-UHFFFAOYSA-N -1 1 596.558 5.283 40 0 KKABMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc(C)c1Cl ZINC000408705307 1071434728 /nfs/dbraw/zinc/43/47/28/1071434728.db2.gz BWMXBXQVAKIDEX-INIZCTEOSA-N -1 1 537.863 5.926 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1Cl ZINC000408705406 1071434745 /nfs/dbraw/zinc/43/47/45/1071434745.db2.gz DZRMHBLGCFZZFJ-GOSISDBHSA-N -1 1 501.048 6.153 40 0 KKABMM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000408705376 1071434837 /nfs/dbraw/zinc/43/48/37/1071434837.db2.gz DFWGBTVTUHGLOH-UHFFFAOYSA-N -1 1 512.937 5.794 40 0 KKABMM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408702975 1071445118 /nfs/dbraw/zinc/44/51/18/1071445118.db2.gz LGLYXOINUDPSBZ-QFIPXVFZSA-N -1 1 542.963 5.964 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3C)cc2)c1 ZINC000408701774 1071450736 /nfs/dbraw/zinc/45/07/36/1071450736.db2.gz FNZNOMVZTRBVMV-UHFFFAOYSA-N -1 1 555.722 5.230 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408700488 1071454286 /nfs/dbraw/zinc/45/42/86/1071454286.db2.gz GUKPKVFGLXSCDH-UHFFFAOYSA-N -1 1 650.528 6.630 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000408700646 1071454596 /nfs/dbraw/zinc/45/45/96/1071454596.db2.gz JPNULUGHEPPXRO-UHFFFAOYSA-N -1 1 622.474 5.850 40 0 KKABMM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408700575 1071455359 /nfs/dbraw/zinc/45/53/59/1071455359.db2.gz ICFONYNKJSKPRE-UHFFFAOYSA-N -1 1 598.530 5.230 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408715055 1071472633 /nfs/dbraw/zinc/47/26/33/1071472633.db2.gz ZDCQBPRJVMWXLJ-UHFFFAOYSA-N -1 1 573.762 5.253 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714725 1071474262 /nfs/dbraw/zinc/47/42/62/1071474262.db2.gz LMHLKZCDQKHGID-UHFFFAOYSA-N -1 1 627.732 6.045 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C(=O)N1CCCC1 ZINC000408714569 1071475332 /nfs/dbraw/zinc/47/53/32/1071475332.db2.gz FOFMGYSUXOXHPK-UHFFFAOYSA-N -1 1 610.577 5.009 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000408714567 1071475376 /nfs/dbraw/zinc/47/53/76/1071475376.db2.gz FKJLIIVUHREEAY-UHFFFAOYSA-N -1 1 580.153 5.290 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1Cl ZINC000408712567 1071482554 /nfs/dbraw/zinc/48/25/54/1071482554.db2.gz PZCVVLPVBRORPS-KRWDZBQOSA-N -1 1 570.520 5.204 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1C ZINC000408712320 1071483466 /nfs/dbraw/zinc/48/34/66/1071483466.db2.gz MGOXMCHIKUCGCI-UHFFFAOYSA-N -1 1 584.547 5.596 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000408711427 1071492419 /nfs/dbraw/zinc/49/24/19/1071492419.db2.gz WJROULBYPNWPDP-UHFFFAOYSA-N -1 1 567.664 5.153 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3C)cc2)cc1Cl ZINC000408711436 1071492571 /nfs/dbraw/zinc/49/25/71/1071492571.db2.gz WRQXKZNFTMKFFS-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)ccc2C)cc1 ZINC000408711472 1071493231 /nfs/dbraw/zinc/49/32/31/1071493231.db2.gz ZQSLUTWMPAOWSY-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408711462 1071493297 /nfs/dbraw/zinc/49/32/97/1071493297.db2.gz ZDRKLVZKKMIOOW-UHFFFAOYSA-N -1 1 571.680 6.002 40 0 KKABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O ZINC000408711340 1071497394 /nfs/dbraw/zinc/49/73/94/1071497394.db2.gz KEMJNXKGLTULCG-UHFFFAOYSA-N -1 1 604.965 5.941 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)cc2)cc1 ZINC000408711490 1071494066 /nfs/dbraw/zinc/49/40/66/1071494066.db2.gz NVPHLQPHVQJTRN-UHFFFAOYSA-N -1 1 565.673 5.248 40 0 KKABMM CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000408711314 1071496405 /nfs/dbraw/zinc/49/64/05/1071496405.db2.gz HEBSSQPCSXZBDK-UHFFFAOYSA-N -1 1 638.982 6.666 40 0 KKABMM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408711254 1071502334 /nfs/dbraw/zinc/50/23/34/1071502334.db2.gz MQNSBKDQVQTTHV-UHFFFAOYSA-N -1 1 656.079 6.517 40 0 KKABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c2ccccc21 ZINC000408721386 1071538546 /nfs/dbraw/zinc/53/85/46/1071538546.db2.gz GNZDKYIGSUMJSH-UHFFFAOYSA-N -1 1 507.365 5.204 40 0 KKABMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409059971 1072036437 /nfs/dbraw/zinc/03/64/37/1072036437.db2.gz SZJRWNRYFCCXQZ-NWKGEQBZSA-N -1 1 706.787 5.600 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409096213 1072235368 /nfs/dbraw/zinc/23/53/68/1072235368.db2.gz KDCCTGKPBVUZGA-MLJBDGAYSA-N -1 1 678.565 5.324 40 0 KKABMM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409095413 1072239623 /nfs/dbraw/zinc/23/96/23/1072239623.db2.gz HNISPBGEBWHHGB-ZKZBLMLZSA-N -1 1 687.987 5.229 40 0 KKABMM COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n21 ZINC000409095256 1072239940 /nfs/dbraw/zinc/23/99/40/1072239940.db2.gz AIYNQPIXURBXNS-HWMPQDOQSA-N -1 1 736.464 5.269 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409099386 1072325803 /nfs/dbraw/zinc/32/58/03/1072325803.db2.gz RBJLZHUQUWEHQW-NIQJEMAJSA-N -1 1 750.491 5.660 40 0 KKABMM Cc1cc(=O)[n-]c(Sc2oc(C=c3sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)cc2Br)n1 ZINC000409102603 1072365232 /nfs/dbraw/zinc/36/52/32/1072365232.db2.gz BIKRVDCBQFZJHA-BLJGQIRFSA-N -1 1 695.020 5.838 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409103079 1072362844 /nfs/dbraw/zinc/36/28/44/1072362844.db2.gz AHOJLADZHDKPPE-JCXLJCJISA-N -1 1 705.612 5.255 40 0 KKABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409331821 1072366546 /nfs/dbraw/zinc/36/65/46/1072366546.db2.gz ODRRDUYOOZHJAQ-UHFFFAOYSA-N -1 1 604.081 5.123 40 0 KKABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409108755 1072404726 /nfs/dbraw/zinc/40/47/26/1072404726.db2.gz XXMDSKNUKPAYEW-JCXLJCJISA-N -1 1 705.612 5.255 40 0 KKABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000409343491 1072440169 /nfs/dbraw/zinc/44/01/69/1072440169.db2.gz HGLJXUCFFSWCDY-UHFFFAOYSA-N -1 1 584.119 5.835 40 0 KKABMM CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)ccc1Cl ZINC000409152951 1072614204 /nfs/dbraw/zinc/61/42/04/1072614204.db2.gz CFJRPIGBADTKDE-VXLYETTFSA-N -1 1 523.394 5.331 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)ccc1OC ZINC000409373039 1072643533 /nfs/dbraw/zinc/64/35/33/1072643533.db2.gz VVCIXKXAPRBGHU-UHFFFAOYSA-N -1 1 510.594 6.082 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409372556 1072644995 /nfs/dbraw/zinc/64/49/95/1072644995.db2.gz MMSVJXNPCDRBKO-UHFFFAOYSA-N -1 1 686.006 8.679 40 0 KKABMM CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000409372223 1072646025 /nfs/dbraw/zinc/64/60/25/1072646025.db2.gz MDJGPCBCKYTQFF-UHFFFAOYSA-N -1 1 665.588 8.415 40 0 KKABMM COc1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1Br ZINC000409371884 1072648240 /nfs/dbraw/zinc/64/82/40/1072648240.db2.gz JHWSHSJXFXNEKG-UHFFFAOYSA-N -1 1 545.437 6.446 40 0 KKABMM COc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc(I)c1OCc1ccccc1 ZINC000409370841 1072651896 /nfs/dbraw/zinc/65/18/96/1072651896.db2.gz DUCIEPIFZDAUOX-UHFFFAOYSA-N -1 1 698.561 7.867 40 0 KKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c2cc(Br)c(C)c(Br)c2)cc1 ZINC000409367796 1072668811 /nfs/dbraw/zinc/66/88/11/1072668811.db2.gz LAYSNGKXTOOUED-UHFFFAOYSA-N -1 1 608.334 7.508 40 0 KKABMM Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1)S(C)(=O)=O ZINC000409175214 1072718140 /nfs/dbraw/zinc/71/81/40/1072718140.db2.gz XURASVUQMIUDBH-UHFFFAOYSA-N -1 1 563.701 5.323 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409172484 1072734417 /nfs/dbraw/zinc/73/44/17/1072734417.db2.gz JDFJTLBCBDJEEE-PMERELPUSA-N -1 1 557.697 5.556 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)c1 ZINC000409168403 1072754382 /nfs/dbraw/zinc/75/43/82/1072754382.db2.gz QZSVQKHBMOORQO-UHFFFAOYSA-N -1 1 509.480 6.283 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cc(Cl)ccc2Cl)cc1 ZINC000409406777 1072757276 /nfs/dbraw/zinc/75/72/76/1072757276.db2.gz COGHCEDEBQGMCG-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000409182549 1072790060 /nfs/dbraw/zinc/79/00/60/1072790060.db2.gz MLTGEWQRKAGRIM-KOEQRZSOSA-N -1 1 523.441 6.974 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)ccc2C)c1 ZINC000409412147 1072790079 /nfs/dbraw/zinc/79/00/79/1072790079.db2.gz SBCZMSLRVKYWQN-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000409412140 1072790102 /nfs/dbraw/zinc/79/01/02/1072790102.db2.gz RZLCAYUPOWDDBR-UHFFFAOYSA-N -1 1 604.537 5.937 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(F)c(Cl)c1 ZINC000409412158 1072790502 /nfs/dbraw/zinc/79/05/02/1072790502.db2.gz SIHBPDDQDXLRJI-UHFFFAOYSA-N -1 1 614.426 5.357 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)ccc2C)c1 ZINC000409412061 1072791576 /nfs/dbraw/zinc/79/15/76/1072791576.db2.gz QQBZAKVFHSSMPK-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)cc1 ZINC000409412063 1072791671 /nfs/dbraw/zinc/79/16/71/1072791671.db2.gz QQUZGACLPZXRAV-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(C)cc4C)c3)cc2)c1 ZINC000409411637 1072792758 /nfs/dbraw/zinc/79/27/58/1072792758.db2.gz YHKRFXKYHBDAFL-UHFFFAOYSA-N -1 1 630.144 5.828 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc2C)c(C)c1 ZINC000409411678 1072793415 /nfs/dbraw/zinc/79/34/15/1072793415.db2.gz YZVCSMSAZQOIAB-UHFFFAOYSA-N -1 1 502.661 6.816 40 0 KKABMM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000409411709 1072793749 /nfs/dbraw/zinc/79/37/49/1072793749.db2.gz KGSAXRVOSXDJQW-OAQYLSRUSA-N -1 1 551.690 5.051 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3cccc(Cl)c3)ccc2C)c(C)c1 ZINC000409411692 1072794038 /nfs/dbraw/zinc/79/40/38/1072794038.db2.gz ZISIKQMGUYBNNP-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3Cl)ccc2C)c1 ZINC000409411772 1072794361 /nfs/dbraw/zinc/79/43/61/1072794361.db2.gz LDXGOLJLOJYQGL-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409411519 1072794505 /nfs/dbraw/zinc/79/45/05/1072794505.db2.gz IHLQALGWDUTTEC-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000409411576 1072794999 /nfs/dbraw/zinc/79/49/99/1072794999.db2.gz JODDCPCGHMYKPP-UHFFFAOYSA-N -1 1 559.429 6.141 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000409411212 1072796772 /nfs/dbraw/zinc/79/67/72/1072796772.db2.gz UUZHVOJYUMZGNN-UHFFFAOYSA-N -1 1 567.664 5.077 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3)ccc2C)c1 ZINC000409411003 1072800045 /nfs/dbraw/zinc/80/00/45/1072800045.db2.gz SDIFBFSIJKQJEX-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000409180490 1072803997 /nfs/dbraw/zinc/80/39/97/1072803997.db2.gz YKEHUPFVIMQRNA-HKBQPEDESA-N -1 1 606.169 6.518 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409410328 1072804097 /nfs/dbraw/zinc/80/40/97/1072804097.db2.gz VIAMAZXNVMSEPN-UHFFFAOYSA-N -1 1 628.216 6.013 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409410213 1072806028 /nfs/dbraw/zinc/80/60/28/1072806028.db2.gz UANZFLMBMWLCPM-MHZLTWQESA-N -1 1 602.521 6.414 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)cc1OC ZINC000409409870 1072808554 /nfs/dbraw/zinc/80/85/54/1072808554.db2.gz RNHXDKWGYFUPBO-UHFFFAOYSA-N -1 1 660.568 5.345 40 0 KKABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1 ZINC000409409879 1072809457 /nfs/dbraw/zinc/80/94/57/1072809457.db2.gz JTTDJGDJMYFXIZ-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409409408 1072811549 /nfs/dbraw/zinc/81/15/49/1072811549.db2.gz OSYWOPFKDIFLKG-CQSZACIVSA-N -1 1 576.911 5.241 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000409178895 1072814735 /nfs/dbraw/zinc/81/47/35/1072814735.db2.gz JNXNPKYTWBODRO-HKBQPEDESA-N -1 1 606.169 6.518 40 0 KKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000409178709 1072815256 /nfs/dbraw/zinc/81/52/56/1072815256.db2.gz NYHRETKUCYXAGC-INIZCTEOSA-N -1 1 505.459 5.678 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000409408506 1072815877 /nfs/dbraw/zinc/81/58/77/1072815877.db2.gz DDENDHVSGPUJEV-NRFANRHFSA-N -1 1 513.619 5.539 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)cc2)cc1 ZINC000409408335 1072816164 /nfs/dbraw/zinc/81/61/64/1072816164.db2.gz BTOCALXIMJKIFF-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)cc1 ZINC000409407822 1072819711 /nfs/dbraw/zinc/81/97/11/1072819711.db2.gz AEWVEAXUUOUDKZ-UHFFFAOYSA-N -1 1 593.727 5.864 40 0 KKABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c(OC)c1OC ZINC000409407474 1072820929 /nfs/dbraw/zinc/82/09/29/1072820929.db2.gz GDJYVPJWILHLNL-OQLLNIDSSA-N -1 1 517.003 5.127 40 0 KKABMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c2ccccc2)cc1 ZINC000409177617 1072821942 /nfs/dbraw/zinc/82/19/42/1072821942.db2.gz BASYXBPCYCOKKO-JFLMPSFJSA-N -1 1 553.467 6.982 40 0 KKABMM COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000003146810 552297143 /nfs/dbraw/zinc/29/71/43/552297143.db2.gz KTKYBEMPNPDPLK-UHFFFAOYSA-N -1 1 509.345 6.143 40 0 KKABMM Cc1cc(C)c(-c2c([O-])c(Br)c(-c3c(C)cc(C)c(Br)c3C)c(O)c2Br)c(C)c1Br ZINC000004748120 552475167 /nfs/dbraw/zinc/47/51/67/552475167.db2.gz HXLAFKYCDZWECC-UHFFFAOYSA-N -1 1 662.054 9.332 40 0 KKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 ZINC000008810467 553148525 /nfs/dbraw/zinc/14/85/25/553148525.db2.gz XMWLNFCXGHPJIN-UHFFFAOYSA-N -1 1 504.967 5.489 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3[O-])nc2c1 ZINC000008835147 553161530 /nfs/dbraw/zinc/16/15/30/553161530.db2.gz XQQHRHOPBKRAPC-UHFFFAOYSA-N -1 1 507.615 6.408 40 0 KKABMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2)cc1 ZINC000009289304 553234180 /nfs/dbraw/zinc/23/41/80/553234180.db2.gz QFYILUKLENNBNI-LVXARBLLSA-N -1 1 504.718 5.374 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(CSc4ccccc4)cc3C)c2)cc1 ZINC000010314551 553332742 /nfs/dbraw/zinc/33/27/42/553332742.db2.gz WUOXZWFEZQYPEL-UHFFFAOYSA-N -1 1 502.661 6.649 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(I)cc3C)cc2C)cc1 ZINC000010314273 553332747 /nfs/dbraw/zinc/33/27/47/553332747.db2.gz BUOXYQSMLZOSSX-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)c2C)cc1 ZINC000010314370 553332823 /nfs/dbraw/zinc/33/28/23/553332823.db2.gz CPLBWWBOIICBIQ-JOCHJYFZSA-N -1 1 527.646 5.848 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2)cc1Cl ZINC000010324758 553333474 /nfs/dbraw/zinc/33/34/74/553333474.db2.gz VEBHCFNFNSCDMV-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000010360551 553335477 /nfs/dbraw/zinc/33/54/77/553335477.db2.gz QYQDJROQMOJTMR-NRFANRHFSA-N -1 1 513.619 5.539 40 0 KKABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013677150 553483083 /nfs/dbraw/zinc/48/30/83/553483083.db2.gz CNHWKMKYOQLNMA-UHFFFAOYSA-N -1 1 515.440 5.135 40 0 KKABMM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013786589 553490759 /nfs/dbraw/zinc/49/07/59/553490759.db2.gz WSGXYDUGBGMQTN-KCHLEUMXSA-N -1 1 500.595 5.624 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccc(Cl)cc3)ccc2C)c1C ZINC000014153553 553503385 /nfs/dbraw/zinc/50/33/85/553503385.db2.gz BGUUNNBRNUBWHN-UHFFFAOYSA-N -1 1 503.089 5.729 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3[O-])oc2c1 ZINC000014275026 553507949 /nfs/dbraw/zinc/50/79/49/553507949.db2.gz NJKXZTHSGQQBSZ-UHFFFAOYSA-N -1 1 503.967 6.549 40 0 KKABMM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2C)cc1Br ZINC000014361169 553514296 /nfs/dbraw/zinc/51/42/96/553514296.db2.gz HNJVZRLDHHPPGH-KSZLIROESA-N -1 1 521.477 5.722 40 0 KKABMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000014398057 553515055 /nfs/dbraw/zinc/51/50/55/553515055.db2.gz MBGLCUMJJZDQBI-ZDUSSCGKSA-N -1 1 516.900 5.705 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014398257 553515083 /nfs/dbraw/zinc/51/50/83/553515083.db2.gz RFDZOVUJRIXJMO-GOSISDBHSA-N -1 1 501.048 6.153 40 0 KKABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000014400740 553515412 /nfs/dbraw/zinc/51/54/12/553515412.db2.gz KMFYHMVKMQCQOO-JOCHJYFZSA-N -1 1 508.518 5.311 40 0 KKABMM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000014400698 553515449 /nfs/dbraw/zinc/51/54/49/553515449.db2.gz KHJHWGPMZHXAHX-JOCHJYFZSA-N -1 1 509.411 5.599 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(C)cc1)cc2Cl ZINC000016779602 553581849 /nfs/dbraw/zinc/58/18/49/553581849.db2.gz NSZWMQCNEJQYON-UHFFFAOYSA-N -1 1 513.015 5.887 40 0 KKABMM CCOC(=O)c1cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)ccc1Cl ZINC000020453943 553652282 /nfs/dbraw/zinc/65/22/82/553652282.db2.gz VCSMFJFOIVOGHE-UHFFFAOYSA-N -1 1 507.395 5.532 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCSCc3cccc(Cl)c3)c2)cc1 ZINC000020457245 553653761 /nfs/dbraw/zinc/65/37/61/553653761.db2.gz MSNGAANQDQMCSY-UHFFFAOYSA-N -1 1 509.480 5.766 40 0 KKABMM Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020485009 553658765 /nfs/dbraw/zinc/65/87/65/553658765.db2.gz PLHPYTONLFNHKL-UHFFFAOYSA-N -1 1 523.079 6.994 40 0 KKABMM CCOc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OC ZINC000020488911 553659789 /nfs/dbraw/zinc/65/97/89/553659789.db2.gz IHKWVYSWMOKIBY-UHFFFAOYSA-N -1 1 517.047 5.219 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N[C@H]1CCCc2ccccc21 ZINC000020023348 553662767 /nfs/dbraw/zinc/66/27/67/553662767.db2.gz ZSQKSUJMLLKGLQ-QFIPXVFZSA-N -1 1 505.423 5.367 40 0 KKABMM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020491113 553664107 /nfs/dbraw/zinc/66/41/07/553664107.db2.gz JGMZDCSMXNVFDE-QGZVFWFLSA-N -1 1 506.546 6.036 40 0 KKABMM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020038217 553667874 /nfs/dbraw/zinc/66/78/74/553667874.db2.gz YYKMBJOYHKWZNE-UHFFFAOYSA-N -1 1 501.004 5.658 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1Cl ZINC000020050088 553670821 /nfs/dbraw/zinc/67/08/21/553670821.db2.gz YEEGZSCBBKXPFU-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(F)cc1 ZINC000083313786 553676726 /nfs/dbraw/zinc/67/67/26/553676726.db2.gz WAKYJFRVGNKAOG-NVNXTCNLSA-N -1 1 501.342 5.347 40 0 KKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022110045 553726606 /nfs/dbraw/zinc/72/66/06/553726606.db2.gz YDLPGGHARHBJRW-UHFFFAOYSA-N -1 1 507.446 7.390 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022111008 553726740 /nfs/dbraw/zinc/72/67/40/553726740.db2.gz FYBVTYFKQSIXLC-UHFFFAOYSA-N -1 1 517.438 6.254 40 0 KKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110774 553726785 /nfs/dbraw/zinc/72/67/85/553726785.db2.gz DFJTXHVJLFWZAV-UHFFFAOYSA-N -1 1 502.427 6.031 40 0 KKABMM CCc1n[n-]c(=S)n1NCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022110373 553726841 /nfs/dbraw/zinc/72/68/41/553726841.db2.gz UEIDLOVGIPDXQO-UHFFFAOYSA-N -1 1 518.264 5.904 40 0 KKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000022110666 553726860 /nfs/dbraw/zinc/72/68/60/553726860.db2.gz WRFRVUBESMUGDW-UHFFFAOYSA-N -1 1 517.438 6.254 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)c2)cc1 ZINC000022508899 553742994 /nfs/dbraw/zinc/74/29/94/553742994.db2.gz DHRNMYZFVPQZJQ-UHFFFAOYSA-N -1 1 526.058 5.764 40 0 KKABMM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000022523824 553744445 /nfs/dbraw/zinc/74/44/45/553744445.db2.gz JUCCYBRQZCSKSO-QFIPXVFZSA-N -1 1 508.518 5.311 40 0 KKABMM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000022524139 553744574 /nfs/dbraw/zinc/74/45/74/553744574.db2.gz YUSIAZVCGOMVRC-VWLOTQADSA-N -1 1 509.027 6.399 40 0 KKABMM CCn1c2ccccc2c2cc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)ccc21 ZINC000022527939 553745215 /nfs/dbraw/zinc/74/52/15/553745215.db2.gz PSCWCEOMCXLXKR-UHFFFAOYSA-N -1 1 504.011 6.521 40 0 KKABMM Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1C ZINC000022537554 553746833 /nfs/dbraw/zinc/74/68/33/553746833.db2.gz HRINQJILRQAKSN-SFHVURJKSA-N -1 1 521.466 5.976 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118682 553817215 /nfs/dbraw/zinc/81/72/15/553817215.db2.gz YIQWTKRCPYICJR-UHFFFAOYSA-N -1 1 506.999 5.754 40 0 KKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000030754454 553856570 /nfs/dbraw/zinc/85/65/70/553856570.db2.gz VKEYALXWBNPUDV-UHFFFAOYSA-N -1 1 500.498 5.920 40 0 KKABMM O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030757559 553857095 /nfs/dbraw/zinc/85/70/95/553857095.db2.gz YOKBMHRMJNXKGZ-UHFFFAOYSA-N -1 1 520.010 5.323 40 0 KKABMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OC ZINC000030858841 553858823 /nfs/dbraw/zinc/85/88/23/553858823.db2.gz DIHBYPRXBMQCTO-SFHVURJKSA-N -1 1 522.648 5.777 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2C)c1 ZINC000033730056 553970803 /nfs/dbraw/zinc/97/08/03/553970803.db2.gz BYLVSZOEOHCDND-UHFFFAOYSA-N -1 1 520.392 5.270 40 0 KKABMM COc1ccc(OC)c2c1[C@@H](c1cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c1)O[C@H]1CCCC[C@@H]21 ZINC000098009075 554069153 /nfs/dbraw/zinc/06/91/53/554069153.db2.gz JVQKSUQLLRSLAI-UETOGOEVSA-N -1 1 537.634 5.422 40 0 KKABMM O=C1[N-]C(=S)NC1=Cc1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000100054528 554195550 /nfs/dbraw/zinc/19/55/50/554195550.db2.gz YYOJSFWSFGINSY-VCHYOVAHSA-N -1 1 518.230 5.289 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000100086038 554209113 /nfs/dbraw/zinc/20/91/13/554209113.db2.gz PQHDGSIDVFYRIX-UHFFFAOYSA-N -1 1 531.099 6.068 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000100091322 554211530 /nfs/dbraw/zinc/21/15/30/554211530.db2.gz JCMXDNKMWNZLAV-UHFFFAOYSA-N -1 1 616.976 5.628 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2)cc1Cl ZINC000100092967 554213617 /nfs/dbraw/zinc/21/36/17/554213617.db2.gz CPIQRPBICGTUQB-UHFFFAOYSA-N -1 1 590.167 5.062 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)c1 ZINC000100094098 554214746 /nfs/dbraw/zinc/21/47/46/554214746.db2.gz IAHDAJSCXNYBHL-LJQANCHMSA-N -1 1 596.558 5.283 40 0 KKABMM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000038755082 554276325 /nfs/dbraw/zinc/27/63/25/554276325.db2.gz OYRILVINKBIAGN-VWLOTQADSA-N -1 1 511.068 6.803 40 0 KKABMM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1Cl ZINC000044885533 554308223 /nfs/dbraw/zinc/30/82/23/554308223.db2.gz GMHMSEVJGXMUDH-UHFFFAOYSA-N -1 1 501.004 5.495 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3[O-])nc2c1 ZINC000059331532 554389156 /nfs/dbraw/zinc/38/91/56/554389156.db2.gz AWDMNCOAHUDBSD-UHFFFAOYSA-N -1 1 516.406 6.205 40 0 KKABMM CCOC(=O)C1=C([O-])c2c(-c3ccc(N(C)C)cc3)nc3c(c(C)nn3-c3ccccc3)c2[C@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000059662856 554420939 /nfs/dbraw/zinc/42/09/39/554420939.db2.gz GPQOPBRGLSEODY-BHYWQNONSA-N -1 1 616.718 6.268 40 0 KKABMM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)c1ccc(Br)cc1 ZINC000059837251 554442602 /nfs/dbraw/zinc/44/26/02/554442602.db2.gz LTVIKNJAMGQUAC-CQSZACIVSA-N -1 1 558.281 5.813 40 0 KKABMM O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059852361 554450963 /nfs/dbraw/zinc/45/09/63/554450963.db2.gz YDBKUGYRQQKQSF-UHFFFAOYSA-N -1 1 525.001 5.789 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)cc1Cl ZINC000059852460 554451262 /nfs/dbraw/zinc/45/12/62/554451262.db2.gz BJRSSYAZPHBAMA-UHFFFAOYSA-N -1 1 529.898 6.628 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2)cc1 ZINC000059852480 554451504 /nfs/dbraw/zinc/45/15/04/554451504.db2.gz AWXQGCAFKMGOQK-UHFFFAOYSA-N -1 1 535.109 7.169 40 0 KKABMM CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000059852872 554453019 /nfs/dbraw/zinc/45/30/19/554453019.db2.gz CCZBHUNYHBBCIU-UHFFFAOYSA-N -1 1 582.409 5.437 40 0 KKABMM O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059857890 554455141 /nfs/dbraw/zinc/45/51/41/554455141.db2.gz ILRLFAHFPXTRLC-UHFFFAOYSA-N -1 1 590.510 5.628 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2cc(C)cc(C)c2)cc1 ZINC000059858502 554456083 /nfs/dbraw/zinc/45/60/83/554456083.db2.gz UHEXDAFJDLXJFF-UHFFFAOYSA-N -1 1 613.761 6.400 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2)cc1 ZINC000059881567 554456776 /nfs/dbraw/zinc/45/67/76/554456776.db2.gz IMDSFLIXZYTUTR-UHFFFAOYSA-N -1 1 620.536 5.637 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1Cl ZINC000059881767 554457130 /nfs/dbraw/zinc/45/71/30/554457130.db2.gz LKRAYDWJHNVJAK-UHFFFAOYSA-N -1 1 523.747 6.719 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 ZINC000059881724 554457197 /nfs/dbraw/zinc/45/71/97/554457197.db2.gz JHHDACLXEBIJIB-UHFFFAOYSA-N -1 1 596.436 5.218 40 0 KKABMM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059882983 554459264 /nfs/dbraw/zinc/45/92/64/554459264.db2.gz RZMPGYWTJGQVDG-WTDSWWLTSA-N -1 1 524.904 5.540 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059883737 554461207 /nfs/dbraw/zinc/46/12/07/554461207.db2.gz RWGJMBMJSLBTDP-UHFFFAOYSA-N -1 1 563.701 5.192 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccccc2F)cc1 ZINC000059884153 554461797 /nfs/dbraw/zinc/46/17/97/554461797.db2.gz QWOWDGMSIGNXIP-UHFFFAOYSA-N -1 1 567.664 5.077 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2ccccc2)cc1 ZINC000059885056 554463984 /nfs/dbraw/zinc/46/39/84/554463984.db2.gz YPVXDGJECIBZEI-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059885576 554464721 /nfs/dbraw/zinc/46/47/21/554464721.db2.gz GHBBFZBJDQUDAX-UHFFFAOYSA-N -1 1 602.109 5.731 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000059886519 554467127 /nfs/dbraw/zinc/46/71/27/554467127.db2.gz YCXSINCAECGHCE-UHFFFAOYSA-N -1 1 584.119 5.592 40 0 KKABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059886933 554467624 /nfs/dbraw/zinc/46/76/24/554467624.db2.gz ZDWFCYPRYXSDNB-UHFFFAOYSA-N -1 1 581.691 5.386 40 0 KKABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059886940 554467745 /nfs/dbraw/zinc/46/77/45/554467745.db2.gz QFPIQSBTNQHBNU-UHFFFAOYSA-N -1 1 590.045 5.127 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059887163 554468298 /nfs/dbraw/zinc/46/82/98/554468298.db2.gz XTUQMQVTJCZVCY-UHFFFAOYSA-N -1 1 593.727 5.337 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000059887665 554469200 /nfs/dbraw/zinc/46/92/00/554469200.db2.gz QYMTYSMZCMQREI-UHFFFAOYSA-N -1 1 612.173 6.208 40 0 KKABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000059887755 554469256 /nfs/dbraw/zinc/46/92/56/554469256.db2.gz VWNXCZYFVUUWFZ-UHFFFAOYSA-N -1 1 615.733 5.792 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000059887887 554469641 /nfs/dbraw/zinc/46/96/41/554469641.db2.gz WMJSLXGGKMRGCD-UHFFFAOYSA-N -1 1 618.564 6.245 40 0 KKABMM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000059888103 554470290 /nfs/dbraw/zinc/47/02/90/554470290.db2.gz OIGDIYVBJSEYSJ-UHFFFAOYSA-N -1 1 570.092 5.359 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cccc(Cl)c2C)cc1 ZINC000059888758 554471708 /nfs/dbraw/zinc/47/17/08/554471708.db2.gz OSYVNAFZCWJTRI-UHFFFAOYSA-N -1 1 598.146 5.900 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NCc3ccco3)c2)cc1 ZINC000059923769 554474121 /nfs/dbraw/zinc/47/41/21/554474121.db2.gz LPRLJVJIZBWRON-UHFFFAOYSA-N -1 1 523.998 5.225 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)cc1 ZINC000060028206 554491045 /nfs/dbraw/zinc/49/10/45/554491045.db2.gz QKEMJZQYYRVEGZ-UHFFFAOYSA-N -1 1 537.991 5.430 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)cc2)cc1 ZINC000060028314 554492222 /nfs/dbraw/zinc/49/22/22/554492222.db2.gz UJVJXORRWVMHBT-UHFFFAOYSA-N -1 1 586.091 5.511 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)c2)cc1 ZINC000060028893 554496691 /nfs/dbraw/zinc/49/66/91/554496691.db2.gz HYSJMDKCERPJCW-UHFFFAOYSA-N -1 1 604.537 6.464 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3c(F)cccc3Cl)c(Cl)c2)cc1 ZINC000060060289 554498895 /nfs/dbraw/zinc/49/88/95/554498895.db2.gz WUGFUIMTARMEMI-UHFFFAOYSA-N -1 1 527.470 5.905 40 0 KKABMM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000060060760 554500760 /nfs/dbraw/zinc/50/07/60/554500760.db2.gz ZJLFTCSCYSGMPO-NRFANRHFSA-N -1 1 530.927 6.095 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1I ZINC000060060883 554501072 /nfs/dbraw/zinc/50/10/72/554501072.db2.gz PCWLSAVHJFRCCF-UHFFFAOYSA-N -1 1 564.445 5.650 40 0 KKABMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccc2c(c1)OCO2 ZINC000100927452 554524804 /nfs/dbraw/zinc/52/48/04/554524804.db2.gz BPAQZTOVPIYXGP-IQCGEYIDSA-N -1 1 549.414 5.884 40 0 KKABMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1ccc(Cl)cc1Cl ZINC000100930912 554527116 /nfs/dbraw/zinc/52/71/16/554527116.db2.gz CQKHJPSJMNBZNB-VSGBNLITSA-N -1 1 561.513 7.388 40 0 KKABMM O=S(=O)([N-]c1cccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12)c1ccc2ccccc2c1 ZINC000100959924 554542168 /nfs/dbraw/zinc/54/21/68/554542168.db2.gz VWNBASWBNRRKPW-UHFFFAOYSA-N -1 1 538.650 6.748 40 0 KKABMM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(OC)cc1)cc2Cl ZINC000101027753 554564363 /nfs/dbraw/zinc/56/43/63/554564363.db2.gz WKRMZINNCLKSDI-UHFFFAOYSA-N -1 1 529.014 5.587 40 0 KKABMM O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356341 554915120 /nfs/dbraw/zinc/91/51/20/554915120.db2.gz PFPKPVMAACIKJJ-GFCCVEGCSA-N -1 1 513.168 5.192 40 0 KKABMM O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356423 554915431 /nfs/dbraw/zinc/91/54/31/554915431.db2.gz CCPFKUZSYGPWGZ-SNVBAGLBSA-N -1 1 513.168 5.192 40 0 KKABMM COc1ccc(C([O-])=C2[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000102694643 555009500 /nfs/dbraw/zinc/00/95/00/555009500.db2.gz BDWOKAQBXOQMAD-LZNRXBQRSA-N -1 1 529.298 5.366 40 0 KKABMM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102739484 555028240 /nfs/dbraw/zinc/02/82/40/555028240.db2.gz YCFGIEJBOWXYAF-SSBOKUKZSA-N -1 1 514.622 5.878 40 0 KKABMM Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102740702 555029645 /nfs/dbraw/zinc/02/96/45/555029645.db2.gz ZNEGYHPAXNBYEZ-KMDXXIMOSA-N -1 1 502.368 5.290 40 0 KKABMM Cc1[nH]c2ccccc2c1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102740703 555029804 /nfs/dbraw/zinc/02/98/04/555029804.db2.gz ZNEGYHPAXNBYEZ-TZRRMPRUSA-N -1 1 502.368 5.290 40 0 KKABMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1ccc(C)cc1 ZINC000103721244 555465109 /nfs/dbraw/zinc/46/51/09/555465109.db2.gz RXINDAAQYVQQQK-UHFFFAOYSA-N -1 1 600.719 7.552 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)c2)cc1 ZINC000222660305 571381085 /nfs/dbraw/zinc/38/10/85/571381085.db2.gz UALYQCPTXIHLDI-UHFFFAOYSA-N -1 1 519.435 5.873 40 0 KKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Br)cccc45)cc3[O-])nc2c1 ZINC000105304460 571393255 /nfs/dbraw/zinc/39/32/55/571393255.db2.gz OCUYLPJMYQXYAJ-UHFFFAOYSA-N -1 1 560.473 7.366 40 0 KKABMM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c([O-])c1 ZINC000105305671 571393771 /nfs/dbraw/zinc/39/37/71/571393771.db2.gz HYASKTHPZUOYST-UHFFFAOYSA-N -1 1 530.433 6.766 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(I)c4)cc3[O-])oc2c(C)c1 ZINC000105310420 571396025 /nfs/dbraw/zinc/39/60/25/571396025.db2.gz QJJHUOKVLANNJR-UHFFFAOYSA-N -1 1 543.386 5.549 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3[O-])oc2c1 ZINC000105310386 571396054 /nfs/dbraw/zinc/39/60/54/571396054.db2.gz QEULHRAFHZZEGH-IZZDOVSWSA-N -1 1 564.450 7.602 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(I)cc4)cc3[O-])oc2c1 ZINC000105310343 571396061 /nfs/dbraw/zinc/39/60/61/571396061.db2.gz HMUAZBRNNUAFII-UHFFFAOYSA-N -1 1 529.359 5.240 40 0 KKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(I)c4)cc3[O-])oc2c1 ZINC000105310345 571396069 /nfs/dbraw/zinc/39/60/69/571396069.db2.gz OKNHEFVYZVWVHD-UHFFFAOYSA-N -1 1 529.359 5.240 40 0 KKABMM O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000105310661 571396081 /nfs/dbraw/zinc/39/60/81/571396081.db2.gz LDERRGLAZOMENY-UHFFFAOYSA-N -1 1 530.005 6.560 40 0 KKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5cc(Cl)cc(Cl)c5)o4)cc3[O-])nc2c1 ZINC000105310655 571396213 /nfs/dbraw/zinc/39/62/13/571396213.db2.gz OTCVSGICVSHTQX-UXBLZVDNSA-N -1 1 578.477 7.856 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222839042 571404301 /nfs/dbraw/zinc/40/43/01/571404301.db2.gz FHFWHDCIIIGNGE-NDEPHWFRSA-N -1 1 626.518 5.284 40 0 KKABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Br)cc1 ZINC000105518553 571407225 /nfs/dbraw/zinc/40/72/25/571407225.db2.gz SZSNTVMYLNIJEH-ZEQRLZLVSA-N -1 1 515.411 5.611 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3c4ccc(Br)cc4C[C@@H]3C)cc2)cc1 ZINC000222874349 571408469 /nfs/dbraw/zinc/40/84/69/571408469.db2.gz CIYNNXVPAALSDF-SFHVURJKSA-N -1 1 513.457 5.469 40 0 KKABMM COc1ccc(C(=O)N2CCc3ccc(NC(=O)CCc4ccc(S(=O)(=O)[N-]c5ccc(C)cc5)cc4)cc32)cc1 ZINC000222875156 571408578 /nfs/dbraw/zinc/40/85/78/571408578.db2.gz PKUYMYBVFCSIRU-UHFFFAOYSA-N -1 1 569.683 5.579 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2ccc(F)cc2)cc1 ZINC000105825530 571408895 /nfs/dbraw/zinc/40/88/95/571408895.db2.gz CPTKIYWJZUTNTE-UHFFFAOYSA-N -1 1 618.108 5.431 40 0 KKABMM Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000107737525 571421037 /nfs/dbraw/zinc/42/10/37/571421037.db2.gz HUSXWHGIZPFJNB-UHFFFAOYSA-N -1 1 556.631 7.359 40 0 KKABMM O=C(CSCc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000109358528 571428998 /nfs/dbraw/zinc/42/89/98/571428998.db2.gz IBBSCNINHBCQHH-UHFFFAOYSA-N -1 1 593.874 6.794 40 0 KKABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)cc1 ZINC000109764006 571429985 /nfs/dbraw/zinc/42/99/85/571429985.db2.gz KATPDEBWSAXCPI-UHFFFAOYSA-N -1 1 565.673 5.166 40 0 KKABMM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000109777788 571430128 /nfs/dbraw/zinc/43/01/28/571430128.db2.gz YLGRUYJKRDDGGH-UHFFFAOYSA-N -1 1 532.968 6.171 40 0 KKABMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc(C)c1Cl ZINC000112236591 571434708 /nfs/dbraw/zinc/43/47/08/571434708.db2.gz PDXJFNOYPWWMOS-OAHLLOKOSA-N -1 1 527.857 6.470 40 0 KKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccc(C)c(Cl)c5)o4)cc3[O-])oc2c(C)c1 ZINC000112242869 571435384 /nfs/dbraw/zinc/43/53/84/571435384.db2.gz HMBYUVYFSALMCN-DHZHZOJOSA-N -1 1 558.059 7.565 40 0 KKABMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc(C)c1Cl ZINC000112256331 571437550 /nfs/dbraw/zinc/43/75/50/571437550.db2.gz LSGYSMBBXGHAKT-INIZCTEOSA-N -1 1 526.964 6.182 40 0 KKABMM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000112257034 571437664 /nfs/dbraw/zinc/43/76/64/571437664.db2.gz VGCHKIYSLAUHFL-AWEZNQCLSA-N -1 1 528.936 5.574 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)c1 ZINC000113515619 571439678 /nfs/dbraw/zinc/43/96/78/571439678.db2.gz QZQWTTQTEFJPIM-UHFFFAOYSA-N -1 1 610.733 5.309 40 0 KKABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000113619700 571441013 /nfs/dbraw/zinc/44/10/13/571441013.db2.gz FIEYQXVBVGGWBO-UHFFFAOYSA-N -1 1 549.674 5.466 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000113620702 571441124 /nfs/dbraw/zinc/44/11/24/571441124.db2.gz MTUQNMVRDNMTGR-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C ZINC000113621267 571441127 /nfs/dbraw/zinc/44/11/27/571441127.db2.gz UJMIAIPOTFABGE-UHFFFAOYSA-N -1 1 583.654 5.308 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000139687770 571453340 /nfs/dbraw/zinc/45/33/40/571453340.db2.gz UUBBCTMGWWIAJT-UHFFFAOYSA-N -1 1 532.065 6.346 40 0 KKABMM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)c2)cc1 ZINC000139676576 571453366 /nfs/dbraw/zinc/45/33/66/571453366.db2.gz ORVGZTNADLTNDW-UHFFFAOYSA-N -1 1 590.510 6.156 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c1C ZINC000139716484 571453742 /nfs/dbraw/zinc/45/37/42/571453742.db2.gz SSWBKMIFSUYDPX-UHFFFAOYSA-N -1 1 569.727 7.215 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c1 ZINC000140367998 571455760 /nfs/dbraw/zinc/45/57/60/571455760.db2.gz VYBYDLFZQFDHEW-UHFFFAOYSA-N -1 1 554.712 7.193 40 0 KKABMM COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1C(C)C ZINC000223302329 571457636 /nfs/dbraw/zinc/45/76/36/571457636.db2.gz VPKOGWVHONCMBE-QFIPXVFZSA-N -1 1 508.684 6.344 40 0 KKABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000150353842 571462869 /nfs/dbraw/zinc/46/28/69/571462869.db2.gz VCULWTPJRBYAFF-UHFFFAOYSA-N -1 1 657.148 6.696 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000150409351 571481489 /nfs/dbraw/zinc/48/14/89/571481489.db2.gz JUFSFWUICALQNS-UHFFFAOYSA-N -1 1 646.109 5.841 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000150410568 571483024 /nfs/dbraw/zinc/48/30/24/571483024.db2.gz ZKKDGSUBVMNVGK-UHFFFAOYSA-N -1 1 661.427 5.737 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000150428828 571492437 /nfs/dbraw/zinc/49/24/37/571492437.db2.gz YICICIWFESBZRW-INIZCTEOSA-N -1 1 651.421 6.282 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000150433682 571494430 /nfs/dbraw/zinc/49/44/30/571494430.db2.gz XGQJHQUULKKVTN-UHFFFAOYSA-N -1 1 690.663 6.205 40 0 KKABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1Cl ZINC000150434061 571494756 /nfs/dbraw/zinc/49/47/56/571494756.db2.gz MDZLKCZQIIFTKB-UHFFFAOYSA-N -1 1 630.881 5.871 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000150435344 571495251 /nfs/dbraw/zinc/49/52/51/571495251.db2.gz HWXBFEAWCPZUJE-UHFFFAOYSA-N -1 1 630.542 5.336 40 0 KKABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2)cc1OC ZINC000150439492 571497338 /nfs/dbraw/zinc/49/73/38/571497338.db2.gz XWDSAXGQSGTDPW-UHFFFAOYSA-N -1 1 630.144 5.544 40 0 KKABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000150586130 571522039 /nfs/dbraw/zinc/52/20/39/571522039.db2.gz SKVUOFODZBTXBS-UHFFFAOYSA-N -1 1 624.062 6.521 40 0 KKABMM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000163247245 571534064 /nfs/dbraw/zinc/53/40/64/571534064.db2.gz SLEDUEJBJYSWSE-VVNKCDPRSA-N -1 1 671.354 5.400 40 0 KKABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cc(I)cc(I)c3[O-])sc2=N1 ZINC000163447710 571535497 /nfs/dbraw/zinc/53/54/97/571535497.db2.gz JOSFUKUTCRHBJN-RWTNITNYSA-N -1 1 742.417 5.617 40 0 KKABMM O=c1/c(=C\c2cc(Br)cc(I)c2[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000164109124 571544282 /nfs/dbraw/zinc/54/42/82/571544282.db2.gz OYRYNLADLYECNH-SEXPAEGTSA-N -1 1 659.318 5.531 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2ccccc2F)cc1 ZINC000197823475 571564690 /nfs/dbraw/zinc/56/46/90/571564690.db2.gz GWNOKAPUDSTMHC-UHFFFAOYSA-N -1 1 656.079 6.441 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccc(C)cc2)cc1 ZINC000197821941 571564814 /nfs/dbraw/zinc/56/48/14/571564814.db2.gz YATONAISWSUYCD-UHFFFAOYSA-N -1 1 633.670 5.657 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccc(Cl)cc2)cc1 ZINC000197825770 571564943 /nfs/dbraw/zinc/56/49/43/571564943.db2.gz PELZZEIXZSQODP-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000197827819 571565263 /nfs/dbraw/zinc/56/52/63/571565263.db2.gz NDUGTZANCGCNOE-UHFFFAOYSA-N -1 1 644.569 5.401 40 0 KKABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000197828479 571565378 /nfs/dbraw/zinc/56/53/78/571565378.db2.gz UPICGXDDBDVZOU-UHFFFAOYSA-N -1 1 688.622 5.718 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000197828733 571565406 /nfs/dbraw/zinc/56/54/06/571565406.db2.gz DJVQMJMUXTXMHM-UHFFFAOYSA-N -1 1 639.821 6.059 40 0 KKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000197830628 571565593 /nfs/dbraw/zinc/56/55/93/571565593.db2.gz GHZWMRIAWMQVOA-UHFFFAOYSA-N -1 1 648.988 6.046 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000197831367 571565638 /nfs/dbraw/zinc/56/56/38/571565638.db2.gz GMACEZLCWRSPSS-UHFFFAOYSA-N -1 1 688.149 7.455 40 0 KKABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000197831012 571565738 /nfs/dbraw/zinc/56/57/38/571565738.db2.gz FFKSOQNJSOUXFB-UHFFFAOYSA-N -1 1 626.462 5.226 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000197830337 571565747 /nfs/dbraw/zinc/56/57/47/571565747.db2.gz MRJHNWLTSCLNKC-UHFFFAOYSA-N -1 1 638.089 6.302 40 0 KKABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000197830778 571565753 /nfs/dbraw/zinc/56/57/53/571565753.db2.gz JBXTVMOCMUAVJI-UHFFFAOYSA-N -1 1 674.595 5.410 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000197962364 571566204 /nfs/dbraw/zinc/56/62/04/571566204.db2.gz NUTNFEYDFIOOBE-UHFFFAOYSA-N -1 1 671.433 5.193 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000197950025 571566246 /nfs/dbraw/zinc/56/62/46/571566246.db2.gz WOIDSUSDANPRDD-UHFFFAOYSA-N -1 1 626.982 5.084 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)c(Cl)c2)cc1 ZINC000197982117 571566382 /nfs/dbraw/zinc/56/63/82/571566382.db2.gz SBFSIYJGSXLWFW-UHFFFAOYSA-N -1 1 624.955 6.809 40 0 KKABMM Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000198309534 571566744 /nfs/dbraw/zinc/56/67/44/571566744.db2.gz CEOREBPGFMJLIV-UHFFFAOYSA-N -1 1 660.217 7.405 40 0 KKABMM O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198312600 571567123 /nfs/dbraw/zinc/56/71/23/571567123.db2.gz ZCIFQIDHKHFCBO-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000198315538 571567422 /nfs/dbraw/zinc/56/74/22/571567422.db2.gz HAWBGVCLEZDQEX-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000198315416 571567473 /nfs/dbraw/zinc/56/74/73/571567473.db2.gz ARZWZSHIWWUNGP-UHFFFAOYSA-N -1 1 652.116 6.610 40 0 KKABMM O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000198317249 571567603 /nfs/dbraw/zinc/56/76/03/571567603.db2.gz FWIRGUKNVKXUKK-UHFFFAOYSA-N -1 1 658.507 6.647 40 0 KKABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000198319623 571567798 /nfs/dbraw/zinc/56/77/98/571567798.db2.gz VWUNVJBICNGLNN-UHFFFAOYSA-N -1 1 644.569 5.483 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000198319068 571567874 /nfs/dbraw/zinc/56/78/74/571567874.db2.gz RDTMKCVGVOWVES-UHFFFAOYSA-N -1 1 634.179 6.745 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)c2)cc1 ZINC000215899077 571586822 /nfs/dbraw/zinc/58/68/22/571586822.db2.gz SNFOJYJIUYCUGU-UHFFFAOYSA-N -1 1 535.025 5.027 40 0 KKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000215926639 571588024 /nfs/dbraw/zinc/58/80/24/571588024.db2.gz JTXWAHKUNFDHRT-VWLOTQADSA-N -1 1 539.451 6.199 40 0 KKABMM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000215953688 571589184 /nfs/dbraw/zinc/58/91/84/571589184.db2.gz MCMWLBFCODFTOW-VWLOTQADSA-N -1 1 528.552 6.456 40 0 KKABMM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000215962218 571589670 /nfs/dbraw/zinc/58/96/70/571589670.db2.gz AIBCVSRGFUAGLK-FQEVSTJZSA-N -1 1 523.836 5.699 40 0 KKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)c(Cl)c2)cc1 ZINC000215975165 571590235 /nfs/dbraw/zinc/59/02/35/571590235.db2.gz ZGCWHLCFLRXJCK-UHFFFAOYSA-N -1 1 634.961 6.265 40 0 KKABMM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000216127099 571592960 /nfs/dbraw/zinc/59/29/60/571592960.db2.gz RULJGHQXODLIML-KRWDZBQOSA-N -1 1 540.991 6.491 40 0 KKABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)ccc1N1CCCC1=O ZINC000216128585 571593096 /nfs/dbraw/zinc/59/30/96/571593096.db2.gz SMNIKRSGCTXSNR-UHFFFAOYSA-N -1 1 554.477 5.030 40 0 KKABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000216275931 571593987 /nfs/dbraw/zinc/59/39/87/571593987.db2.gz YTZSNVOWEKIKKT-UHFFFAOYSA-N -1 1 576.483 5.847 40 0 KKABMM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000216339011 571594923 /nfs/dbraw/zinc/59/49/23/571594923.db2.gz UHXLYLVDEMDVLM-XMMPIXPASA-N -1 1 539.451 6.199 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(=O)NC(C)C ZINC000216338374 571594943 /nfs/dbraw/zinc/59/49/43/571594943.db2.gz VDNKFWKLNXBWGR-UHFFFAOYSA-N -1 1 508.640 5.163 40 0 KKABMM COc1ccc([C@H](CC(C)C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000216396853 571595780 /nfs/dbraw/zinc/59/57/80/571595780.db2.gz VGPLPBZOEYDZSS-VWLOTQADSA-N -1 1 501.048 5.975 40 0 KKABMM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000216490902 571597055 /nfs/dbraw/zinc/59/70/55/571597055.db2.gz DXNSNLFZJJESFE-QGZVFWFLSA-N -1 1 517.445 5.779 40 0 KKABMM CCOC(=O)C1=C([O-])c2c(-c3ccc(N(C)C)cc3)nc3c(c(C)nn3-c3ccccc3)c2[C@H](C(=O)OCC)[C@@H]1c1ccccc1 ZINC000221963732 571604489 /nfs/dbraw/zinc/60/44/89/571604489.db2.gz GPQOPBRGLSEODY-GOVYPMRZSA-N -1 1 616.718 6.268 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(I)c1 ZINC000225018589 571639450 /nfs/dbraw/zinc/63/94/50/571639450.db2.gz YRXXILFJTFZOTC-UHFFFAOYSA-N -1 1 561.228 5.960 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)ccc2C)cc1C ZINC000225146731 571652079 /nfs/dbraw/zinc/65/20/79/571652079.db2.gz VWLZFKDDWJCOHP-UHFFFAOYSA-N -1 1 509.653 5.622 40 0 KKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1C(=O)N1CCC(C)CC1 ZINC000225160269 571653266 /nfs/dbraw/zinc/65/32/66/571653266.db2.gz AHSDUCUNFIRTNS-UHFFFAOYSA-N -1 1 519.714 5.039 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C)cc3Br)o2)cc1[N-]S(C)(=O)=O ZINC000225492174 571861887 /nfs/dbraw/zinc/86/18/87/571861887.db2.gz UKUCETPCFQKXFG-UIOOFZCWSA-N -1 1 613.559 5.970 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N-]S(C)(=O)=O ZINC000225492936 571863057 /nfs/dbraw/zinc/86/30/57/571863057.db2.gz SJMLQYHXBRYAQM-IZZNHLLZSA-N -1 1 569.108 5.861 40 0 KKABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2c(C)c(C)n(-c3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225494277 571864348 /nfs/dbraw/zinc/86/43/48/571864348.db2.gz XZTWWEDEIKAZKF-IZLXSDGUSA-N -1 1 561.733 5.355 40 0 KKABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2c(C)c(C)n(-c3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225494246 571864406 /nfs/dbraw/zinc/86/44/06/571864406.db2.gz XZTWWEDEIKAZKF-NSOVKSMOSA-N -1 1 561.733 5.355 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SCc4ccccc4)s3)ccc2C)c1 ZINC000225546424 571910560 /nfs/dbraw/zinc/91/05/60/571910560.db2.gz VDUZJDFNGXAGDW-UHFFFAOYSA-N -1 1 524.693 5.809 40 0 KKABMM CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c2ccccc2O1 ZINC000225625388 571976855 /nfs/dbraw/zinc/97/68/55/571976855.db2.gz RBDJZKYYKSXYND-VWLOTQADSA-N -1 1 506.668 6.225 40 0 KKABMM O=C(Nc1nnc(SCc2ccccc2)s1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000225866430 572079033 /nfs/dbraw/zinc/07/90/33/572079033.db2.gz KLHVUOUBMFBERQ-UHFFFAOYSA-N -1 1 517.057 5.537 40 0 KKABMM CNc1nc(-c2ccc(OC)c(NC(=O)CCc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)c2)cs1 ZINC000226053212 572117712 /nfs/dbraw/zinc/11/77/12/572117712.db2.gz OKKPIKHLWSWCIT-UHFFFAOYSA-N -1 1 536.679 5.541 40 0 KKABMM CCc1cc(Br)cc(CC)c1NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000226053117 572117721 /nfs/dbraw/zinc/11/77/21/572117721.db2.gz AMAYCUBMOGOMIF-UHFFFAOYSA-N -1 1 529.500 6.254 40 0 KKABMM Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)c2)cs1 ZINC000226080960 572130750 /nfs/dbraw/zinc/13/07/50/572130750.db2.gz BCELIBMCDAFMSB-UHFFFAOYSA-N -1 1 548.473 6.244 40 0 KKABMM CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)cc2)no1 ZINC000226080912 572130721 /nfs/dbraw/zinc/13/07/21/572130721.db2.gz MBFRUWMAUGNOFI-UHFFFAOYSA-N -1 1 575.474 5.909 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2C)cc1C ZINC000408543013 572211515 /nfs/dbraw/zinc/21/15/15/572211515.db2.gz BVQFOPHZFGILNC-QHCPKHFHSA-N -1 1 541.673 6.156 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)ccc2C)c1 ZINC000408544373 572215343 /nfs/dbraw/zinc/21/53/43/572215343.db2.gz HJAVNHPJDLGOEF-UHFFFAOYSA-N -1 1 577.728 6.083 40 0 KKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)c1 ZINC000408544689 572216423 /nfs/dbraw/zinc/21/64/23/572216423.db2.gz IOEFFEKHYQQVQD-UHFFFAOYSA-N -1 1 534.419 5.578 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c2cccc(Cl)c2Cl)cc1 ZINC000408545014 572217360 /nfs/dbraw/zinc/21/73/60/572217360.db2.gz LZZFJVDDRQTEHI-UHFFFAOYSA-N -1 1 653.009 6.898 40 0 KKABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408545296 572218437 /nfs/dbraw/zinc/21/84/37/572218437.db2.gz KAXLQZLQNNBBTH-UHFFFAOYSA-N -1 1 652.553 6.166 40 0 KKABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408545668 572220181 /nfs/dbraw/zinc/22/01/81/572220181.db2.gz MCNIMPOOJILSAX-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)ccc2C)c1 ZINC000408545743 572220598 /nfs/dbraw/zinc/22/05/98/572220598.db2.gz NRGRDQKCBCYAGW-UHFFFAOYSA-N -1 1 570.092 5.811 40 0 KKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1C ZINC000408545855 572221070 /nfs/dbraw/zinc/22/10/70/572221070.db2.gz ASWOCNJGQAYRKM-UHFFFAOYSA-N -1 1 523.507 6.074 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000408545837 572221214 /nfs/dbraw/zinc/22/12/14/572221214.db2.gz OUMKKHQXTGXGGN-NDEPHWFRSA-N -1 1 582.103 6.069 40 0 KKABMM CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408546237 572222606 /nfs/dbraw/zinc/22/26/06/572222606.db2.gz RRKHGBBNHAYOJP-UHFFFAOYSA-N -1 1 591.755 5.809 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)cc2)cc1Cl ZINC000408546486 572223318 /nfs/dbraw/zinc/22/33/18/572223318.db2.gz DVWARXYJVYPCOI-UHFFFAOYSA-N -1 1 642.243 6.322 40 0 KKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000408546993 572224654 /nfs/dbraw/zinc/22/46/54/572224654.db2.gz IDLDINHSSGCAFT-UHFFFAOYSA-N -1 1 638.982 6.590 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2C)c(C)c1 ZINC000408547798 572227335 /nfs/dbraw/zinc/22/73/35/572227335.db2.gz NAVVLRPLFVCOQK-UHFFFAOYSA-N -1 1 512.075 5.337 40 0 KKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2C)c1 ZINC000408548756 572229944 /nfs/dbraw/zinc/22/99/44/572229944.db2.gz UOTDLVUDYYJIFG-UHFFFAOYSA-N -1 1 516.688 6.957 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408555241 572242495 /nfs/dbraw/zinc/24/24/95/572242495.db2.gz FOSIXARWTGBZTE-UHFFFAOYSA-N -1 1 520.221 6.362 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000408556476 572244075 /nfs/dbraw/zinc/24/40/75/572244075.db2.gz CXLDFBIDMPKHCA-UHFFFAOYSA-N -1 1 533.477 5.654 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(Br)cc1F ZINC000408557367 572244886 /nfs/dbraw/zinc/24/48/86/572244886.db2.gz GTVMHLMFZZVVIH-UHFFFAOYSA-N -1 1 548.217 5.713 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1C(F)(F)F ZINC000408560322 572247505 /nfs/dbraw/zinc/24/75/05/572247505.db2.gz YQJQCTLSLHVETC-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408561800 572248371 /nfs/dbraw/zinc/24/83/71/572248371.db2.gz VHLFETZJAZTNKU-UHFFFAOYSA-N -1 1 519.328 6.074 40 0 KKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)cc3[O-])nc2c1 ZINC000408573003 572258476 /nfs/dbraw/zinc/25/84/76/572258476.db2.gz KXRGWLQDJVBGGK-RVDMUPIBSA-N -1 1 523.614 7.110 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(I)cc1 ZINC000408586798 572266318 /nfs/dbraw/zinc/26/63/18/572266318.db2.gz BXUPRWOTOHIXPF-UHFFFAOYSA-N -1 1 610.779 5.782 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NCc1ccccc1Cl ZINC000408586887 572266329 /nfs/dbraw/zinc/26/63/29/572266329.db2.gz CSRLZWYCYMCHRF-UHFFFAOYSA-N -1 1 533.355 5.508 40 0 KKABMM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000408588468 572266907 /nfs/dbraw/zinc/26/69/07/572266907.db2.gz GJBBOSNJIWHXOL-UHFFFAOYSA-N -1 1 526.920 5.380 40 0 KKABMM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)c1ccccc1 ZINC000408589933 572267433 /nfs/dbraw/zinc/26/74/33/572267433.db2.gz IHRDLMOBTPSMEV-HNNXBMFYSA-N -1 1 512.937 5.416 40 0 KKABMM CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408591398 572268287 /nfs/dbraw/zinc/26/82/87/572268287.db2.gz LYQJUVJQDBLJMH-UHFFFAOYSA-N -1 1 541.935 5.136 40 0 KKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(=O)c4ccccc4F)c3)ccc21 ZINC000408592930 572268902 /nfs/dbraw/zinc/26/89/02/572268902.db2.gz KWNWBINBDOSXOC-UHFFFAOYSA-N -1 1 517.582 6.015 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc2ccccc21 ZINC000408594523 572269697 /nfs/dbraw/zinc/26/96/97/572269697.db2.gz SPRYHLKBKCLHEI-UHFFFAOYSA-N -1 1 534.943 6.330 40 0 KKABMM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)CC2)c1C ZINC000408597452 572271525 /nfs/dbraw/zinc/27/15/25/572271525.db2.gz WLKJERIJXPBHTJ-UHFFFAOYSA-N -1 1 548.492 5.139 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1Sc1ccccc1 ZINC000408600329 572272452 /nfs/dbraw/zinc/27/24/52/572272452.db2.gz AERZVZKQIYFBKH-UHFFFAOYSA-N -1 1 593.048 7.328 40 0 KKABMM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)c1 ZINC000408600881 572272694 /nfs/dbraw/zinc/27/26/94/572272694.db2.gz DBKAUIXJMXKCQX-UHFFFAOYSA-N -1 1 530.977 5.899 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 ZINC000408602799 572273385 /nfs/dbraw/zinc/27/33/85/572273385.db2.gz IYJDSTLLNZJNNE-UHFFFAOYSA-N -1 1 591.007 6.756 40 0 KKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)ccc2C)c(C)c1 ZINC000408603098 572273531 /nfs/dbraw/zinc/27/35/31/572273531.db2.gz FFHZPWRONGRABL-UHFFFAOYSA-N -1 1 519.667 5.681 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(Br)cc1F ZINC000408603514 572273639 /nfs/dbraw/zinc/27/36/39/572273639.db2.gz KNQJRSWNXBTDRS-UHFFFAOYSA-N -1 1 581.769 6.079 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408610787 572276309 /nfs/dbraw/zinc/27/63/09/572276309.db2.gz VXAXSGDMNYLFAO-UHFFFAOYSA-N -1 1 588.435 5.541 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408610775 572276341 /nfs/dbraw/zinc/27/63/41/572276341.db2.gz VVNQPKBOEOPRCA-UHFFFAOYSA-N -1 1 519.328 5.831 40 0 KKABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1F ZINC000408612876 572277116 /nfs/dbraw/zinc/27/71/16/572277116.db2.gz ZIXRTYXWOFEWND-UHFFFAOYSA-N -1 1 502.873 5.316 40 0 KKABMM Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408622104 572281975 /nfs/dbraw/zinc/28/19/75/572281975.db2.gz ASPPOZKCHDNUTC-UHFFFAOYSA-N -1 1 500.664 6.516 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3OCc3cccc(Cl)c3)C(=O)[O-])n2)c1 ZINC000408630769 572286619 /nfs/dbraw/zinc/28/66/19/572286619.db2.gz AWQQFDVTGCCLIS-QRVIBDJDSA-N -1 1 523.998 5.939 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)ccc3OC(C)C)C(=O)[O-])n2)c1 ZINC000408630737 572286642 /nfs/dbraw/zinc/28/66/42/572286642.db2.gz ASSWUNZGGOVMPM-VXLYETTFSA-N -1 1 520.405 5.256 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2)C(=O)[O-])n1 ZINC000408631187 572287110 /nfs/dbraw/zinc/28/71/10/572287110.db2.gz FTRQNQLVEDYQHF-FBHDLOMBSA-N -1 1 745.764 7.140 40 0 KKABMM COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Br)c(O)c(I)c2)C(=O)[O-])n[nH]1 ZINC000408631220 572287163 /nfs/dbraw/zinc/28/71/63/572287163.db2.gz GIELJLAWYKJCQF-NSIKDUERSA-N -1 1 608.639 5.424 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)[O-])n2)c1 ZINC000408631253 572287317 /nfs/dbraw/zinc/28/73/17/572287317.db2.gz CPJCPXWKRWYBDE-KSEXSDGBSA-N -1 1 523.998 5.939 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(OCc4ccccc4F)ccc4ccccc43)C(=O)[O-])n2)c1 ZINC000408631367 572287431 /nfs/dbraw/zinc/28/74/31/572287431.db2.gz DNHKMXMAXXSGKJ-YUMHPJSZSA-N -1 1 557.603 6.578 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])n1 ZINC000408631314 572287435 /nfs/dbraw/zinc/28/74/35/572287435.db2.gz HKIATAGCFLXZNK-JJFYIABZSA-N -1 1 562.862 7.237 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(N3CCCCC3)o2)C(=O)[O-])n1 ZINC000408631499 572287533 /nfs/dbraw/zinc/28/75/33/572287533.db2.gz JQNLMBFQOHASOE-BOPFTXTBSA-N -1 1 539.839 5.697 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408631481 572287576 /nfs/dbraw/zinc/28/75/76/572287576.db2.gz FCJCXNIYWWUPPE-ROTLSHHCSA-N -1 1 568.051 6.338 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408631698 572287934 /nfs/dbraw/zinc/28/79/34/572287934.db2.gz AOZZQYHZDCSUHT-AFPJDJCSSA-N -1 1 641.758 8.000 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)n(Cc4ccccc4F)c4ccccc34)C(=O)[O-])n2)c1 ZINC000408631851 572288066 /nfs/dbraw/zinc/28/80/66/572288066.db2.gz GTQSDLOFWJNAFR-YSMPRRRNSA-N -1 1 544.608 6.157 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[O-])n1 ZINC000408631938 572288146 /nfs/dbraw/zinc/28/81/46/572288146.db2.gz NKSBUHLYLZSNEG-COEJQBHMSA-N -1 1 605.119 8.476 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)[O-])n1 ZINC000408632185 572288432 /nfs/dbraw/zinc/28/84/32/572288432.db2.gz OMJLFHBESMQUHE-WQRHYEAKSA-N -1 1 520.419 6.749 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)[O-])n1 ZINC000408632205 572288482 /nfs/dbraw/zinc/28/84/82/572288482.db2.gz OQPNVPCVSFQGPP-NDENLUEZSA-N -1 1 516.063 6.652 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)cc(I)c3OCc3ccccc3F)C(=O)[O-])n2)c1 ZINC000408632299 572288592 /nfs/dbraw/zinc/28/85/92/572288592.db2.gz INDQPEWRAPPQMD-YVNNLAQVSA-N -1 1 759.335 6.634 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408632382 572288665 /nfs/dbraw/zinc/28/86/65/572288665.db2.gz FIOGLFLAMUNSMC-MTJSOVHGSA-N -1 1 607.313 7.346 40 0 KKABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C ZINC000408632620 572288937 /nfs/dbraw/zinc/28/89/37/572288937.db2.gz FUPLNGPUFSXYKR-QFEZKATASA-N -1 1 536.053 6.856 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(C)cc3)cc2)C(=O)[O-])n1 ZINC000408632577 572289024 /nfs/dbraw/zinc/28/90/24/572289024.db2.gz RMLLSTNEMLISMD-QRVIBDJDSA-N -1 1 507.999 6.239 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)[O-])n1 ZINC000408632746 572289258 /nfs/dbraw/zinc/28/92/58/572289258.db2.gz SBYOQJKPXFIZSN-JJFYIABZSA-N -1 1 637.339 7.355 40 0 KKABMM O=C([O-])C(=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632919 572289402 /nfs/dbraw/zinc/28/94/02/572289402.db2.gz HODLRZAVKNQHTJ-UCQKPKSFSA-N -1 1 530.009 5.936 40 0 KKABMM O=C([O-])C(=Cc1cc(Br)c(Sc2ccccc2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632930 572289568 /nfs/dbraw/zinc/28/95/68/572289568.db2.gz HRIHHAMUBAVLEE-BOPFTXTBSA-N -1 1 534.844 6.850 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000408632980 572289570 /nfs/dbraw/zinc/28/95/70/572289570.db2.gz ILLPOZOOUAXUEG-UCQKPKSFSA-N -1 1 542.444 6.974 40 0 KKABMM CCOc1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408633100 572289702 /nfs/dbraw/zinc/28/97/02/572289702.db2.gz VWTIFSGUWKJKKW-MYKKPKGFSA-N -1 1 606.915 7.636 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)[O-])n1 ZINC000408633188 572289832 /nfs/dbraw/zinc/28/98/32/572289832.db2.gz WYISUTZOMJPDOJ-AFPJDJCSSA-N -1 1 641.758 8.000 40 0 KKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)[O-])n1 ZINC000408633212 572289913 /nfs/dbraw/zinc/28/99/13/572289913.db2.gz XEHDOBDEQWMSTE-UUYOSTAYSA-N -1 1 572.868 6.693 40 0 KKABMM Cc1ccc(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)c(Br)c1 ZINC000408634099 572291005 /nfs/dbraw/zinc/29/10/05/572291005.db2.gz OZVLWVWQVJBRJH-ODLFYWEKSA-N -1 1 516.804 6.674 40 0 KKABMM COc1c(I)cc(I)cc1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000408634102 572291043 /nfs/dbraw/zinc/29/10/43/572291043.db2.gz PBNGUQLUOVEQRV-AUWJEWJLSA-N -1 1 639.640 5.561 40 0 KKABMM COC(=O)c1cc(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)ccc1Cl ZINC000408634623 572291686 /nfs/dbraw/zinc/29/16/86/572291686.db2.gz SNVLTCCAFMJWRS-ODLFYWEKSA-N -1 1 516.362 6.043 40 0 KKABMM O=C([O-])C(=Cc1cc(Br)c(O)c(I)c1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000408635017 572292092 /nfs/dbraw/zinc/29/20/92/572292092.db2.gz WNXNIFYVXDVXID-QPEQYQDCSA-N -1 1 578.613 5.416 40 0 KKABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)ccc3OCc3ccc(F)cc3)C(=O)[O-])n2)c1 ZINC000408635082 572292174 /nfs/dbraw/zinc/29/21/74/572292174.db2.gz YPMXJXJHWWFTOF-FMCGGJTJSA-N -1 1 541.988 6.078 40 0 KKABMM COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1F ZINC000408677145 572318968 /nfs/dbraw/zinc/31/89/68/572318968.db2.gz APAGSCIGSOJPHQ-UHFFFAOYSA-N -1 1 538.928 5.108 40 0 KKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1OCC ZINC000408679778 572320783 /nfs/dbraw/zinc/32/07/83/572320783.db2.gz LJAXHLRGOHTJFV-UHFFFAOYSA-N -1 1 525.048 5.047 40 0 KKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(C)C ZINC000408680625 572321309 /nfs/dbraw/zinc/32/13/09/572321309.db2.gz OIJATMUVNIRDNJ-UHFFFAOYSA-N -1 1 528.574 5.439 40 0 KKABMM