smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)Cc2c(c3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2S(=O)(=O)c2ccccc2)C(=O)C1 ZINC000000751851 551541579 /nfs/dbraw/zinc/54/15/79/551541579.db2.gz ZCWOFTGAKCTFSL-UHFFFAOYSA-N -1 1 508.621 4.834 40 0 KJABMM O=S(=O)([N-]c1ccc(Br)cc1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000000855894 551550439 /nfs/dbraw/zinc/55/04/39/551550439.db2.gz CORASVJVXZRNTK-UHFFFAOYSA-N -1 1 531.247 4.845 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)N4[C@H](C)CCC[C@@H]4C)o3)cc2)cc1 ZINC000000897123 551564171 /nfs/dbraw/zinc/56/41/71/551564171.db2.gz HKGDUTDDQUZZDT-HDICACEKSA-N -1 1 500.646 4.727 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)o3)cc2)cc1 ZINC000000897125 551564215 /nfs/dbraw/zinc/56/42/15/551564215.db2.gz HKGDUTDDQUZZDT-ROUUACIJSA-N -1 1 500.646 4.727 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)N4[C@H](C)CCC[C@H]4C)o3)cc2)cc1 ZINC000000897130 551564230 /nfs/dbraw/zinc/56/42/30/551564230.db2.gz HKGDUTDDQUZZDT-QZTJIDSGSA-N -1 1 500.646 4.727 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)N4c5ccccc5C[C@H]4C)o3)cc2)cc1 ZINC000000897224 551564236 /nfs/dbraw/zinc/56/42/36/551564236.db2.gz CPYLZWQBGJXOGD-GOSISDBHSA-N -1 1 520.636 4.916 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)N4c5ccccc5C[C@@H]4C)o3)cc2)cc1 ZINC000000897239 551564465 /nfs/dbraw/zinc/56/44/65/551564465.db2.gz CPYLZWQBGJXOGD-SFHVURJKSA-N -1 1 520.636 4.916 40 0 KJABMM CNC(=O)CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)n1-c1cccc(Cl)c1 ZINC000000904747 551566887 /nfs/dbraw/zinc/56/68/87/551566887.db2.gz PONWFULIEICODB-UHFFFAOYSA-N -1 1 528.059 4.535 40 0 KJABMM Cc1cc(OCC(=O)[N-]C(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)ccc1Cl ZINC000000948551 551588438 /nfs/dbraw/zinc/58/84/38/551588438.db2.gz GQCUQSBEEZNXCP-UHFFFAOYSA-N -1 1 501.366 4.963 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000001095452 551607608 /nfs/dbraw/zinc/60/76/08/551607608.db2.gz RZPKMBYWYZXNNP-UHFFFAOYSA-N -1 1 586.917 4.616 40 0 KJABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)Nc1ccc(Cl)cc1 ZINC000001328913 551644337 /nfs/dbraw/zinc/64/43/37/551644337.db2.gz APSRZVOCWSRCLA-UHFFFAOYSA-N -1 1 500.989 4.922 40 0 KJABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)Nc1cccc(Cl)c1 ZINC000001328916 551644371 /nfs/dbraw/zinc/64/43/71/551644371.db2.gz NJMGRZWJWDRCCW-UHFFFAOYSA-N -1 1 500.989 4.922 40 0 KJABMM COc1ccc2c(c1OC)C(=O)O[C@H]2c1cc([C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc(Br)c1[O-] ZINC000001610409 551685848 /nfs/dbraw/zinc/68/58/48/551685848.db2.gz AIIKGLBDNFSTLU-FCHUYYIVSA-N -1 1 557.349 4.709 40 0 KJABMM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1cc(Br)c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000001610410 551685880 /nfs/dbraw/zinc/68/58/80/551685880.db2.gz AIIKGLBDNFSTLU-FGZHOGPDSA-N -1 1 557.349 4.709 40 0 KJABMM COc1ccc2c(c1OC)C(=O)O[C@H]2c1cc(Br)c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000001610411 551685913 /nfs/dbraw/zinc/68/59/13/551685913.db2.gz AIIKGLBDNFSTLU-VXKWHMMOSA-N -1 1 557.349 4.709 40 0 KJABMM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1cc(Br)c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000001610412 551685900 /nfs/dbraw/zinc/68/59/00/551685900.db2.gz AIIKGLBDNFSTLU-YADHBBJMSA-N -1 1 557.349 4.709 40 0 KJABMM COc1cc(-c2ccc(NS(=O)(=O)c3ccccc3)c(OC)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001646597 551687881 /nfs/dbraw/zinc/68/78/81/551687881.db2.gz JZGUJRMBVLOALL-UHFFFAOYSA-N -1 1 524.620 4.972 40 0 KJABMM CCOC(=O)c1sc([N-]C(=O)c2nc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000002761141 552182528 /nfs/dbraw/zinc/18/25/28/552182528.db2.gz KLKSAKDCBIVOTP-UHFFFAOYSA-N -1 1 577.541 4.794 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)Nc4cccc(C)c4)c3)c2)c1 ZINC000003013950 552260592 /nfs/dbraw/zinc/26/05/92/552260592.db2.gz XCXAGZAAEFBUHN-UHFFFAOYSA-N -1 1 556.687 4.738 40 0 KJABMM CCOC(=O)c1sc([N-]C(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000003139665 552294504 /nfs/dbraw/zinc/29/45/04/552294504.db2.gz ZOKZGQZCTHDMDC-UHFFFAOYSA-N -1 1 553.544 4.847 40 0 KJABMM CCOC(=O)c1sc([N-]C(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000003139683 552294448 /nfs/dbraw/zinc/29/44/48/552294448.db2.gz SQHPSDRVOSPIFN-UHFFFAOYSA-N -1 1 547.515 4.786 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000003259704 552325627 /nfs/dbraw/zinc/32/56/27/552325627.db2.gz HVKLOKJESWJNRF-UHFFFAOYSA-N -1 1 552.663 4.740 40 0 KJABMM CCOc1ccc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)n2C)cc1 ZINC000006088650 552530383 /nfs/dbraw/zinc/53/03/83/552530383.db2.gz UXSUBRNQHIUMAY-UHFFFAOYSA-N -1 1 537.667 4.721 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)OC4CCCCC4)n3C)cc2)cc1 ZINC000006088903 552531104 /nfs/dbraw/zinc/53/11/04/552531104.db2.gz ZPXIUVJWKMOCOK-UHFFFAOYSA-N -1 1 500.646 4.559 40 0 KJABMM Cc1nc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)o2)sc1C ZINC000006088923 552531027 /nfs/dbraw/zinc/53/10/27/552531027.db2.gz AHFKBGFBYVEKAA-UHFFFAOYSA-N -1 1 515.642 4.650 40 0 KJABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(OC)c1OC ZINC000009973432 553323231 /nfs/dbraw/zinc/32/32/31/553323231.db2.gz FQTRGLCOTAIZNT-PJQLUOCWSA-N -1 1 502.976 4.819 40 0 KJABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c(OC)c1OC ZINC000009973450 553323308 /nfs/dbraw/zinc/32/33/08/553323308.db2.gz QCQALEAWDAKNFR-RIYZIHGNSA-N -1 1 502.976 4.819 40 0 KJABMM Cc1cc(I)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010314182 553332738 /nfs/dbraw/zinc/33/27/38/553332738.db2.gz OOHVCMWFIAOXMS-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314452 553332771 /nfs/dbraw/zinc/33/27/71/553332771.db2.gz VMPRFYAXUUCKJO-UHFFFAOYSA-N -1 1 521.620 4.849 40 0 KJABMM Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)c1 ZINC000010314634 553332930 /nfs/dbraw/zinc/33/29/30/553332930.db2.gz QSSVDUFAFJLXON-UHFFFAOYSA-N -1 1 521.620 4.849 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(I)cc3)ccc2C)cc1 ZINC000010314690 553332902 /nfs/dbraw/zinc/33/29/02/553332902.db2.gz MBSZSXBCBDWSRA-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1NS(C)(=O)=O ZINC000010314756 553332954 /nfs/dbraw/zinc/33/29/54/553332954.db2.gz GMXDAXFWYKBZSI-UHFFFAOYSA-N -1 1 509.609 4.573 40 0 KJABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1 ZINC000010314839 553333002 /nfs/dbraw/zinc/33/30/02/553333002.db2.gz KQFGDCIWXUMQNN-UHFFFAOYSA-N -1 1 521.620 4.849 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010315039 553332969 /nfs/dbraw/zinc/33/29/69/553332969.db2.gz AGXLLVQGMIDYNU-UHFFFAOYSA-N -1 1 507.593 4.541 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000010315298 553333220 /nfs/dbraw/zinc/33/32/20/553333220.db2.gz AASAGRLBBNVLCD-UHFFFAOYSA-N -1 1 529.684 4.598 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(I)cc3C)c2)cc1 ZINC000010329318 553333809 /nfs/dbraw/zinc/33/38/09/553333809.db2.gz ZHTMOEVIWXAHFU-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(I)cc3)cc2C)cc1 ZINC000010329323 553333818 /nfs/dbraw/zinc/33/38/18/553333818.db2.gz TUUUXDIWMHCKBP-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)ccc1NS(C)(=O)=O ZINC000010329529 553333830 /nfs/dbraw/zinc/33/38/30/553333830.db2.gz ZZRQBVMCDAKJOK-UHFFFAOYSA-N -1 1 509.609 4.573 40 0 KJABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)cc1C ZINC000010335022 553334446 /nfs/dbraw/zinc/33/44/46/553334446.db2.gz YSRYJXSTGISTBZ-UHFFFAOYSA-N -1 1 529.684 4.598 40 0 KJABMM Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010335920 553334550 /nfs/dbraw/zinc/33/45/50/553334550.db2.gz OUXPGUPQSXIWIY-UHFFFAOYSA-N -1 1 521.620 4.849 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000010362318 553335497 /nfs/dbraw/zinc/33/54/97/553335497.db2.gz NGEZGJXXUOEKBF-OAQYLSRUSA-N -1 1 529.684 4.514 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000010362359 553335439 /nfs/dbraw/zinc/33/54/39/553335439.db2.gz NGEZGJXXUOEKBF-NRFANRHFSA-N -1 1 529.684 4.514 40 0 KJABMM Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000010365998 553335630 /nfs/dbraw/zinc/33/56/30/553335630.db2.gz OISGEQLJTYDGIK-UHFFFAOYSA-N -1 1 509.609 4.573 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(I)cc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010366241 553335686 /nfs/dbraw/zinc/33/56/86/553335686.db2.gz BTJYYZDQLMRCHO-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1cc(C(=O)Nc2ccc(I)cc2C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010367875 553335869 /nfs/dbraw/zinc/33/58/69/553335869.db2.gz JVFHLZMOUTZLNO-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(I)cc3)c2C)cc1 ZINC000010368581 553335882 /nfs/dbraw/zinc/33/58/82/553335882.db2.gz XCIWXFMNFLYNTF-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010371581 553336087 /nfs/dbraw/zinc/33/60/87/553336087.db2.gz WDVJRRPGRWVRMZ-UHFFFAOYSA-N -1 1 521.620 4.849 40 0 KJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000010371828 553335989 /nfs/dbraw/zinc/33/59/89/553335989.db2.gz STVBSRCOPAEIEH-UHFFFAOYSA-N -1 1 521.620 4.849 40 0 KJABMM COc1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000012112460 553351429 /nfs/dbraw/zinc/35/14/29/553351429.db2.gz YFLLPTJDBPDGDS-UHFFFAOYSA-N -1 1 509.609 4.658 40 0 KJABMM COc1ccc(C(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccc(OC)cc4)cc3)o2)cc1 ZINC000012485268 553377375 /nfs/dbraw/zinc/37/73/75/553377375.db2.gz PWLUNLDELPNQCL-UHFFFAOYSA-N -1 1 511.581 4.530 40 0 KJABMM COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)c1 ZINC000013496099 553463880 /nfs/dbraw/zinc/46/38/80/553463880.db2.gz VIEOHHIZAUQHQB-UHFFFAOYSA-N -1 1 511.581 4.530 40 0 KJABMM CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1 ZINC000013496105 553463862 /nfs/dbraw/zinc/46/38/62/553463862.db2.gz KYYORRNMBDTUQN-UHFFFAOYSA-N -1 1 510.597 4.667 40 0 KJABMM Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1Cc1ccc(Br)cc1 ZINC000013611825 553477810 /nfs/dbraw/zinc/47/78/10/553477810.db2.gz PLKSBWRQTKPCAL-UHFFFAOYSA-N -1 1 507.354 4.777 40 0 KJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013678423 553483490 /nfs/dbraw/zinc/48/34/90/553483490.db2.gz XYQPXFLNWMJXOE-UHFFFAOYSA-N -1 1 503.546 4.777 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2C)cc1 ZINC000013678659 553483518 /nfs/dbraw/zinc/48/35/18/553483518.db2.gz UITOCTAEHGWSJN-UHFFFAOYSA-N -1 1 503.580 4.880 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2)cc1 ZINC000013678876 553483726 /nfs/dbraw/zinc/48/37/26/553483726.db2.gz ZYJKCYVBZDLXLB-UHFFFAOYSA-N -1 1 527.668 4.613 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013678901 553483722 /nfs/dbraw/zinc/48/37/22/553483722.db2.gz IQFYZHWXKRCUHG-UHFFFAOYSA-N -1 1 501.413 4.745 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C)cc1 ZINC000013679035 553483660 /nfs/dbraw/zinc/48/36/60/553483660.db2.gz CJNQWDYZEZCKSF-UHFFFAOYSA-N -1 1 527.668 4.531 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)cc1 ZINC000013679842 553484034 /nfs/dbraw/zinc/48/40/34/553484034.db2.gz YVZWWOYQDUQVQP-UHFFFAOYSA-N -1 1 514.607 4.682 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013680759 553484343 /nfs/dbraw/zinc/48/43/43/553484343.db2.gz QMNBRUOXAGYVJT-UHFFFAOYSA-N -1 1 527.668 4.613 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2C)cc1 ZINC000013681121 553484355 /nfs/dbraw/zinc/48/43/55/553484355.db2.gz MXSXBCXRFZBKSY-UHFFFAOYSA-N -1 1 527.668 4.531 40 0 KJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013681415 553484336 /nfs/dbraw/zinc/48/43/36/553484336.db2.gz LTYVVZQPXKDLGX-UHFFFAOYSA-N -1 1 527.668 4.613 40 0 KJABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013681454 553484363 /nfs/dbraw/zinc/48/43/63/553484363.db2.gz ZDFYRSCXHXISJO-UHFFFAOYSA-N -1 1 527.668 4.613 40 0 KJABMM Cc1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013681923 553484758 /nfs/dbraw/zinc/48/47/58/553484758.db2.gz HDGFHTYQPQFUIS-UHFFFAOYSA-N -1 1 503.546 4.777 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)c2C)cc1 ZINC000013683401 553484978 /nfs/dbraw/zinc/48/49/78/553484978.db2.gz XSCHPOVRKIDEHA-UHFFFAOYSA-N -1 1 514.607 4.682 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2C)cc1 ZINC000014153209 553503020 /nfs/dbraw/zinc/50/30/20/553503020.db2.gz BSJXWTRWCLAMGR-UHFFFAOYSA-N -1 1 527.668 4.531 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1I ZINC000014153223 553503032 /nfs/dbraw/zinc/50/30/32/553503032.db2.gz GHZSITIODWXNNA-UHFFFAOYSA-N -1 1 512.756 4.998 40 0 KJABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000014153460 553503457 /nfs/dbraw/zinc/50/34/57/553503457.db2.gz XGOJWENITBTBQF-UHFFFAOYSA-N -1 1 529.684 4.695 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Cl ZINC000014153547 553503437 /nfs/dbraw/zinc/50/34/37/553503437.db2.gz ULPGJXFCQGRPIZ-UHFFFAOYSA-N -1 1 501.413 4.912 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(I)cc2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000014153735 553503590 /nfs/dbraw/zinc/50/35/90/553503590.db2.gz NOIDNURDEMERTJ-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)c1 ZINC000014153903 553503862 /nfs/dbraw/zinc/50/38/62/553503862.db2.gz ARYPYXRMYVMUGN-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)cc1 ZINC000014154530 553504321 /nfs/dbraw/zinc/50/43/21/553504321.db2.gz HJQJYAFXMUKHBP-UHFFFAOYSA-N -1 1 521.620 4.849 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C ZINC000014154997 553504741 /nfs/dbraw/zinc/50/47/41/553504741.db2.gz MJWMRCPSHYMJKF-UHFFFAOYSA-N -1 1 527.668 4.531 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000014155187 553504922 /nfs/dbraw/zinc/50/49/22/553504922.db2.gz CYCXOGXMVRULQC-OAQYLSRUSA-N -1 1 529.684 4.514 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000014155189 553504958 /nfs/dbraw/zinc/50/49/58/553504958.db2.gz CYCXOGXMVRULQC-NRFANRHFSA-N -1 1 529.684 4.514 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(I)cc3C)cc2)cc1 ZINC000014155191 553505019 /nfs/dbraw/zinc/50/50/19/553505019.db2.gz CPWZRGVBPPHFRP-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 ZINC000014223848 553506300 /nfs/dbraw/zinc/50/63/00/553506300.db2.gz YVMKDLMQMKUONG-UHFFFAOYSA-N -1 1 501.811 4.704 40 0 KJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000014224955 553506356 /nfs/dbraw/zinc/50/63/56/553506356.db2.gz JSMBNEDXGMBIBH-UHFFFAOYSA-N -1 1 501.413 4.994 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1OC ZINC000014224982 553506408 /nfs/dbraw/zinc/50/64/08/553506408.db2.gz YUCFCFJTDBMHQG-UHFFFAOYSA-N -1 1 517.412 4.612 40 0 KJABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000014225006 553506519 /nfs/dbraw/zinc/50/65/19/553506519.db2.gz HZSIAQYERRZJLC-UHFFFAOYSA-N -1 1 514.412 4.553 40 0 KJABMM COc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc(OC)c1OC ZINC000014275044 553507931 /nfs/dbraw/zinc/50/79/31/553507931.db2.gz FUBRDXZXADHQTP-UHFFFAOYSA-N -1 1 507.568 4.970 40 0 KJABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3[O-])nc2c1 ZINC000014275073 553508132 /nfs/dbraw/zinc/50/81/32/553508132.db2.gz DGDAPGOMTMWTJD-UHFFFAOYSA-N -1 1 507.568 4.915 40 0 KJABMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2N2CCCC2)cc1 ZINC000014361158 553514334 /nfs/dbraw/zinc/51/43/34/553514334.db2.gz YWUINEOAZLVAQG-NJNPRVFISA-N -1 1 500.690 4.571 40 0 KJABMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=S)N[C@H]3C[C@H]4CC[C@@H]3C4)ccc2N2CCCC2)cc1 ZINC000014361160 553514292 /nfs/dbraw/zinc/51/42/92/553514292.db2.gz YWUINEOAZLVAQG-SVMVAKDDSA-N -1 1 500.690 4.571 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000014396785 553514895 /nfs/dbraw/zinc/51/48/95/553514895.db2.gz BPQVMOGDIXLZRT-UHFFFAOYSA-N -1 1 501.830 4.784 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000014398948 553515012 /nfs/dbraw/zinc/51/50/12/553515012.db2.gz YCGYWUCKASVXRS-UHFFFAOYSA-N -1 1 506.411 4.883 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000014399972 553515268 /nfs/dbraw/zinc/51/52/68/553515268.db2.gz CICXGCLRFLCPSA-UHFFFAOYSA-N -1 1 529.684 4.598 40 0 KJABMM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000014401676 553515641 /nfs/dbraw/zinc/51/56/41/553515641.db2.gz OJTDBIREKUNRDV-UHFFFAOYSA-N -1 1 523.636 4.679 40 0 KJABMM CCCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1OCC ZINC000016732327 553577781 /nfs/dbraw/zinc/57/77/81/553577781.db2.gz XDZTUBPFICBOGE-JQVVWYNYSA-N -1 1 500.901 4.631 40 0 KJABMM CCCOc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1OCC ZINC000016732332 553577708 /nfs/dbraw/zinc/57/77/08/553577708.db2.gz XDZTUBPFICBOGE-NNMXDRDESA-N -1 1 500.901 4.631 40 0 KJABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019856949 553628674 /nfs/dbraw/zinc/62/86/74/553628674.db2.gz HIDSGLKVQOGODI-UHFFFAOYSA-N -1 1 521.620 4.565 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2)cc1 ZINC000019934110 553635974 /nfs/dbraw/zinc/63/59/74/553635974.db2.gz OAVOCADYGMAZGW-VMPITWQZSA-N -1 1 510.059 4.920 40 0 KJABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Br)cc3)cc2)c1 ZINC000020020994 553661662 /nfs/dbraw/zinc/66/16/62/553661662.db2.gz GHOYPMYXPQDORX-INIZCTEOSA-N -1 1 519.417 4.515 40 0 KJABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)c1 ZINC000020020997 553661569 /nfs/dbraw/zinc/66/15/69/553661569.db2.gz GHOYPMYXPQDORX-MRXNPFEDSA-N -1 1 519.417 4.515 40 0 KJABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)c1 ZINC000020021023 553661712 /nfs/dbraw/zinc/66/17/12/553661712.db2.gz GOXROQFECLIASR-INIZCTEOSA-N -1 1 519.417 4.515 40 0 KJABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)cc2)c1 ZINC000020021026 553661590 /nfs/dbraw/zinc/66/15/90/553661590.db2.gz GOXROQFECLIASR-MRXNPFEDSA-N -1 1 519.417 4.515 40 0 KJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000020048731 553670443 /nfs/dbraw/zinc/67/04/43/553670443.db2.gz XPAATAVHZSJVJH-UHFFFAOYSA-N -1 1 500.020 4.534 40 0 KJABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020048840 553670535 /nfs/dbraw/zinc/67/05/35/553670535.db2.gz UINNFEFPBPBBEE-UHFFFAOYSA-N -1 1 518.975 4.505 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)cc2)c1 ZINC000020060809 553672640 /nfs/dbraw/zinc/67/26/40/553672640.db2.gz ZRWKYCNMYRALTD-UHFFFAOYSA-N -1 1 529.684 4.632 40 0 KJABMM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000020060950 553673532 /nfs/dbraw/zinc/67/35/32/553673532.db2.gz LJMIZYCWFPHDTL-UHFFFAOYSA-N -1 1 521.620 4.565 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@@H]1COc2ccccc2O1 ZINC000020061073 553674026 /nfs/dbraw/zinc/67/40/26/553674026.db2.gz LFBAQGAGMRHKGB-FQEVSTJZSA-N -1 1 512.893 4.938 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@H]1COc2ccccc2O1 ZINC000020061074 553673943 /nfs/dbraw/zinc/67/39/43/553673943.db2.gz LFBAQGAGMRHKGB-HXUWFJFHSA-N -1 1 512.893 4.938 40 0 KJABMM O=C(NCc1cccnc1)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020111021 553693739 /nfs/dbraw/zinc/69/37/39/553693739.db2.gz RKYCGHGLHVOLJT-UHFFFAOYSA-N -1 1 520.998 4.718 40 0 KJABMM CCOc1ccc(CCCNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1OC ZINC000020451958 553651351 /nfs/dbraw/zinc/65/13/51/553651351.db2.gz KZJOVDALZQSNLV-UHFFFAOYSA-N -1 1 503.020 4.911 40 0 KJABMM CCOc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1OC ZINC000020454550 553652696 /nfs/dbraw/zinc/65/26/96/553652696.db2.gz JZZMZGLGLRGNNK-UHFFFAOYSA-N -1 1 503.020 4.911 40 0 KJABMM O=C(NCc1cccnc1)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020455721 553652911 /nfs/dbraw/zinc/65/29/11/553652911.db2.gz YNMYEVPIBVROEH-UHFFFAOYSA-N -1 1 520.998 4.718 40 0 KJABMM O=C(Nc1ccc(I)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020456221 553653219 /nfs/dbraw/zinc/65/32/19/553653219.db2.gz AHINIBAFXFFINX-UHFFFAOYSA-N -1 1 512.756 4.998 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000020461627 553656120 /nfs/dbraw/zinc/65/61/20/553656120.db2.gz DRYMKELOKJRLRD-VMPITWQZSA-N -1 1 510.059 4.920 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000020484131 553658556 /nfs/dbraw/zinc/65/85/56/553658556.db2.gz DCNVKHMNNOETRF-UHFFFAOYSA-N -1 1 520.438 4.879 40 0 KJABMM O=C(NCc1ccco1)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020489028 553659683 /nfs/dbraw/zinc/65/96/83/553659683.db2.gz VBWPKSMWUOHDHK-UHFFFAOYSA-N -1 1 509.971 4.916 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000020489604 553659921 /nfs/dbraw/zinc/65/99/21/553659921.db2.gz DKOHXMLYTIFQKI-UHFFFAOYSA-N -1 1 517.529 4.881 40 0 KJABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC ZINC000020493951 553666642 /nfs/dbraw/zinc/66/66/42/553666642.db2.gz NWPIQPIFVWKIKE-UHFFFAOYSA-N -1 1 509.628 4.796 40 0 KJABMM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc21 ZINC000020765681 553697245 /nfs/dbraw/zinc/69/72/45/553697245.db2.gz QFVOOEABJTYPRX-UHFFFAOYSA-N -1 1 518.376 4.685 40 0 KJABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cc(Br)cc(Br)c1OC ZINC000022111285 553727139 /nfs/dbraw/zinc/72/71/39/553727139.db2.gz ZGIKCUXYVMVNBV-UHFFFAOYSA-N -1 1 500.216 4.894 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(=O)N1CCOCC1 ZINC000026117398 553816856 /nfs/dbraw/zinc/81/68/56/553816856.db2.gz BHHPLSDYXABLOP-UHFFFAOYSA-N -1 1 514.694 4.974 40 0 KJABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCOCC4)c3)ccc21 ZINC000026117984 553816734 /nfs/dbraw/zinc/81/67/34/553816734.db2.gz BRTJVEQPMUQBMB-UHFFFAOYSA-N -1 1 509.653 4.810 40 0 KJABMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000026780041 1067208692 /nfs/dbraw/zinc/20/86/92/1067208692.db2.gz WJXFKGZMZJSRSF-UHFFFAOYSA-N -1 1 517.007 4.630 40 0 KJABMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000028066383 553837455 /nfs/dbraw/zinc/83/74/55/553837455.db2.gz ZPYSEVNGMSQNMO-RPBOFIJWSA-N -1 1 514.607 4.882 40 0 KJABMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000028066388 553837395 /nfs/dbraw/zinc/83/73/95/553837395.db2.gz ZPYSEVNGMSQNMO-JWQCQUIFSA-N -1 1 514.607 4.882 40 0 KJABMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000028066393 553837775 /nfs/dbraw/zinc/83/77/75/553837775.db2.gz ZPYSEVNGMSQNMO-DQEYMECFSA-N -1 1 514.607 4.882 40 0 KJABMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000028066398 553837916 /nfs/dbraw/zinc/83/79/16/553837916.db2.gz ZPYSEVNGMSQNMO-LOSJGSFVSA-N -1 1 514.607 4.882 40 0 KJABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2N1C(=O)c1ccccc1 ZINC000028206919 553838219 /nfs/dbraw/zinc/83/82/19/553838219.db2.gz DHWISWSVCMDXPD-OAHLLOKOSA-N -1 1 518.376 4.683 40 0 KJABMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2N1C(=O)c1ccccc1 ZINC000028206921 553838129 /nfs/dbraw/zinc/83/81/29/553838129.db2.gz DHWISWSVCMDXPD-HNNXBMFYSA-N -1 1 518.376 4.683 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(O)c2cc(S(=O)(=O)Nc4cccc(C)c4)ccc2-3)c1 ZINC000028467314 1067208592 /nfs/dbraw/zinc/20/85/92/1067208592.db2.gz AGESNJHCTWMHGA-UHFFFAOYSA-N -1 1 520.632 4.967 40 0 KJABMM O=C(Nc1ccc(I)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030752947 553856304 /nfs/dbraw/zinc/85/63/04/553856304.db2.gz MIWQSMWBAQKDQS-UHFFFAOYSA-N -1 1 512.756 4.998 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000030753987 553856266 /nfs/dbraw/zinc/85/62/66/553856266.db2.gz WSTLBEARBOMUFY-UHFFFAOYSA-N -1 1 519.545 4.591 40 0 KJABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030851771 553857905 /nfs/dbraw/zinc/85/79/05/553857905.db2.gz XEKJYEOCJQFXPY-UHFFFAOYSA-N -1 1 518.975 4.505 40 0 KJABMM COc1ccc(NC(=O)CSc2[n-]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000031903708 553861998 /nfs/dbraw/zinc/86/19/98/553861998.db2.gz SEEIYUIQXAMFKC-UHFFFAOYSA-N -1 1 523.636 4.966 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2C)cc1 ZINC000033651475 553966049 /nfs/dbraw/zinc/96/60/49/553966049.db2.gz ODKZMQZZAKQNHY-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)N1CCCc2ccccc21 ZINC000034791440 554006942 /nfs/dbraw/zinc/00/69/42/554006942.db2.gz DFOWQUTZTZJKEW-UHFFFAOYSA-N -1 1 506.609 4.609 40 0 KJABMM CCCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1OCC ZINC000035980671 554117558 /nfs/dbraw/zinc/11/75/58/554117558.db2.gz XDZTUBPFICBOGE-KNKQGSTJSA-N -1 1 500.901 4.631 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)cc1Cl ZINC000038752595 554275407 /nfs/dbraw/zinc/27/54/07/554275407.db2.gz AVPQBBRTTQCZTQ-UHFFFAOYSA-N -1 1 500.020 4.534 40 0 KJABMM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000038754917 554276377 /nfs/dbraw/zinc/27/63/77/554276377.db2.gz GLWLCVGPYWBHLU-HNNXBMFYSA-N -1 1 505.390 4.665 40 0 KJABMM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000038754919 554276410 /nfs/dbraw/zinc/27/64/10/554276410.db2.gz GLWLCVGPYWBHLU-OAHLLOKOSA-N -1 1 505.390 4.665 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(CN2CCOCC2)c1 ZINC000038755545 554276333 /nfs/dbraw/zinc/27/63/33/554276333.db2.gz ZFDUQOQEVIJDFV-UHFFFAOYSA-N -1 1 501.608 4.725 40 0 KJABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 ZINC000040399864 554284213 /nfs/dbraw/zinc/28/42/13/554284213.db2.gz IYHNZANOMYJAAT-IBGZPJMESA-N -1 1 513.579 4.738 40 0 KJABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 ZINC000040399866 554284269 /nfs/dbraw/zinc/28/42/69/554284269.db2.gz IYHNZANOMYJAAT-LJQANCHMSA-N -1 1 513.579 4.738 40 0 KJABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)CC(=O)N2 ZINC000040400057 554284491 /nfs/dbraw/zinc/28/44/91/554284491.db2.gz XAMRMCSHGWBBNM-KRWDZBQOSA-N -1 1 513.579 4.738 40 0 KJABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1Sc1ccccc1)CC(=O)N2 ZINC000040400059 554284657 /nfs/dbraw/zinc/28/46/57/554284657.db2.gz XAMRMCSHGWBBNM-QGZVFWFLSA-N -1 1 513.579 4.738 40 0 KJABMM O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400266 554284679 /nfs/dbraw/zinc/28/46/79/554284679.db2.gz IVJSFISGTPPZRT-LBPRGKRZSA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400268 554284525 /nfs/dbraw/zinc/28/45/25/554284525.db2.gz IVJSFISGTPPZRT-GFCCVEGCSA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400270 554284573 /nfs/dbraw/zinc/28/45/73/554284573.db2.gz DSDAZFWSTOOQNP-LBPRGKRZSA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400272 554284411 /nfs/dbraw/zinc/28/44/11/554284411.db2.gz DSDAZFWSTOOQNP-GFCCVEGCSA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400274 554284507 /nfs/dbraw/zinc/28/45/07/554284507.db2.gz QDVFEOGVAOFTRK-NSHDSACASA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400276 554284630 /nfs/dbraw/zinc/28/46/30/554284630.db2.gz QDVFEOGVAOFTRK-LLVKDONJSA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400278 554284643 /nfs/dbraw/zinc/28/46/43/554284643.db2.gz FGUKFORHLACCRJ-AWEZNQCLSA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400280 554284586 /nfs/dbraw/zinc/28/45/86/554284586.db2.gz FGUKFORHLACCRJ-CQSZACIVSA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400327 554284964 /nfs/dbraw/zinc/28/49/64/554284964.db2.gz AVFQBOVDWLNVIM-LBPRGKRZSA-N -1 1 512.275 4.904 40 0 KJABMM O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400329 554284980 /nfs/dbraw/zinc/28/49/80/554284980.db2.gz AVFQBOVDWLNVIM-GFCCVEGCSA-N -1 1 512.275 4.904 40 0 KJABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000044844203 554304112 /nfs/dbraw/zinc/30/41/12/554304112.db2.gz FNNZDGBVWYLMMK-UHFFFAOYSA-N -1 1 507.431 4.989 40 0 KJABMM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OC ZINC000044883090 554307636 /nfs/dbraw/zinc/30/76/36/554307636.db2.gz HPNAPEHIGYRLIS-UHFFFAOYSA-N -1 1 519.417 4.838 40 0 KJABMM CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)cc1 ZINC000059530799 554406684 /nfs/dbraw/zinc/40/66/84/554406684.db2.gz JLQINLASAKJGDZ-UHFFFAOYSA-N -1 1 522.608 4.861 40 0 KJABMM CCc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000059662965 554421093 /nfs/dbraw/zinc/42/10/93/554421093.db2.gz SBEUYIHTWADGOD-FMVCKAMOSA-N -1 1 532.604 4.863 40 0 KJABMM CCc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000059662972 554420977 /nfs/dbraw/zinc/42/09/77/554420977.db2.gz SBEUYIHTWADGOD-UFRMOSHKSA-N -1 1 532.604 4.863 40 0 KJABMM O=c1[nH]c2c(s1)[C@H](c1cc(Br)cc(Br)c1[O-])[C@@]1(CC(=O)N(Cc3ccccc3)C1=O)CS2 ZINC000059690770 554424699 /nfs/dbraw/zinc/42/46/99/554424699.db2.gz XVNWQZGRIQEPTN-KSFYIVLOSA-N -1 1 596.322 4.850 40 0 KJABMM O=c1[nH]c2c(s1)[C@H](c1cc(Br)cc(Br)c1[O-])[C@]1(CC(=O)N(Cc3ccccc3)C1=O)CS2 ZINC000059690771 554424663 /nfs/dbraw/zinc/42/46/63/554424663.db2.gz XVNWQZGRIQEPTN-AOMKIAJQSA-N -1 1 596.322 4.850 40 0 KJABMM O=c1[nH]c2c(s1)[C@@H](c1cc(Br)cc(Br)c1[O-])[C@@]1(CC(=O)N(Cc3ccccc3)C1=O)CS2 ZINC000059690775 554424678 /nfs/dbraw/zinc/42/46/78/554424678.db2.gz XVNWQZGRIQEPTN-OPAMFIHVSA-N -1 1 596.322 4.850 40 0 KJABMM O=c1[nH]c2c(s1)[C@@H](c1cc(Br)cc(Br)c1[O-])[C@]1(CC(=O)N(Cc3ccccc3)C1=O)CS2 ZINC000059690776 554424650 /nfs/dbraw/zinc/42/46/50/554424650.db2.gz XVNWQZGRIQEPTN-ZHRRBRCNSA-N -1 1 596.322 4.850 40 0 KJABMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC(C)=O)cc3)s2)cc1 ZINC000059690830 554424953 /nfs/dbraw/zinc/42/49/53/554424953.db2.gz HVQUUOGWRPSVJU-IZZNHLLZSA-N -1 1 542.617 4.798 40 0 KJABMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC(C)=O)cc3)s2)cc1 ZINC000059690833 554424908 /nfs/dbraw/zinc/42/49/08/554424908.db2.gz HVQUUOGWRPSVJU-UIOOFZCWSA-N -1 1 542.617 4.798 40 0 KJABMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC(C)=O)cc3)s2)cc1 ZINC000059690836 554424858 /nfs/dbraw/zinc/42/48/58/554424858.db2.gz HVQUUOGWRPSVJU-CLJLJLNGSA-N -1 1 542.617 4.798 40 0 KJABMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC(C)=O)cc3)s2)cc1 ZINC000059690840 554424891 /nfs/dbraw/zinc/42/48/91/554424891.db2.gz HVQUUOGWRPSVJU-FTJBHMTQSA-N -1 1 542.617 4.798 40 0 KJABMM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(OC)c4)cc3)ccc2s1 ZINC000059837051 554441523 /nfs/dbraw/zinc/44/15/23/554441523.db2.gz UXVOVCHHFZFMDB-UHFFFAOYSA-N -1 1 526.592 4.515 40 0 KJABMM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1OC ZINC000059837274 554442474 /nfs/dbraw/zinc/44/24/74/554442474.db2.gz REODBYWSDZZLCP-UHFFFAOYSA-N -1 1 525.410 4.507 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852205 554450481 /nfs/dbraw/zinc/45/04/81/554450481.db2.gz VBLDUEKBJMEBPH-UHFFFAOYSA-N -1 1 612.557 4.664 40 0 KJABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(Cl)c1 ZINC000059852385 554450947 /nfs/dbraw/zinc/45/09/47/554450947.db2.gz FRTAASISXLTIFH-UHFFFAOYSA-N -1 1 547.964 4.783 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1 ZINC000059852469 554451168 /nfs/dbraw/zinc/45/11/68/554451168.db2.gz VGLVNPJSTOMEFF-IBGZPJMESA-N -1 1 528.030 4.610 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)c(Cl)c2)cc1 ZINC000059852471 554451628 /nfs/dbraw/zinc/45/16/28/554451628.db2.gz VGLVNPJSTOMEFF-LJQANCHMSA-N -1 1 528.030 4.610 40 0 KJABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1Cl ZINC000059852589 554451923 /nfs/dbraw/zinc/45/19/23/554451923.db2.gz XOCHLRCKFOVUMV-UHFFFAOYSA-N -1 1 547.964 4.783 40 0 KJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000059852624 554452197 /nfs/dbraw/zinc/45/21/97/554452197.db2.gz YCSZUMZTOBCTSJ-UHFFFAOYSA-N -1 1 548.086 4.627 40 0 KJABMM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4)c3)cc2)n1 ZINC000059852763 554452642 /nfs/dbraw/zinc/45/26/42/554452642.db2.gz TXQRZYQORIKZKI-UHFFFAOYSA-N -1 1 572.068 4.601 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)c1 ZINC000059852783 554452653 /nfs/dbraw/zinc/45/26/53/554452653.db2.gz QWCMANAAKWPZBI-UHFFFAOYSA-N -1 1 606.564 4.739 40 0 KJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000059852874 554452960 /nfs/dbraw/zinc/45/29/60/554452960.db2.gz QXCYJEIHGNQRTP-UHFFFAOYSA-N -1 1 528.439 4.726 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000059852898 554452971 /nfs/dbraw/zinc/45/29/71/554452971.db2.gz VUKVUEAXCUDREK-UHFFFAOYSA-N -1 1 592.537 4.818 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000059853258 554454094 /nfs/dbraw/zinc/45/40/94/554454094.db2.gz IADRPXUCVXSWQF-UHFFFAOYSA-N -1 1 548.086 4.709 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059853465 554454384 /nfs/dbraw/zinc/45/43/84/554454384.db2.gz MTZGXRJQFDHVMZ-UHFFFAOYSA-N -1 1 534.059 4.568 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)cc1Cl ZINC000059853487 554454447 /nfs/dbraw/zinc/45/44/47/554454447.db2.gz BOHLYKZZFOYFNW-UHFFFAOYSA-N -1 1 528.439 4.726 40 0 KJABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059857868 554455169 /nfs/dbraw/zinc/45/51/69/554455169.db2.gz UTKNRVDHWRLEBH-UHFFFAOYSA-N -1 1 592.017 4.573 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059857900 554455106 /nfs/dbraw/zinc/45/51/06/554455106.db2.gz LDVSQKDVFRIZQD-UHFFFAOYSA-N -1 1 553.637 4.769 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000059858094 554455361 /nfs/dbraw/zinc/45/53/61/554455361.db2.gz KHYUHEBRQMQJJM-UHFFFAOYSA-N -1 1 535.647 4.873 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000059858152 554455381 /nfs/dbraw/zinc/45/53/81/554455381.db2.gz DBIGUYQOZBZAQR-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000059858190 554455364 /nfs/dbraw/zinc/45/53/64/554455364.db2.gz IUNZCYUHLPKCRO-UHFFFAOYSA-N -1 1 561.991 4.564 40 0 KJABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059858246 554455625 /nfs/dbraw/zinc/45/56/25/554455625.db2.gz CILQNRSLHCIWEN-UHFFFAOYSA-N -1 1 586.917 4.616 40 0 KJABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000059858282 554455677 /nfs/dbraw/zinc/45/56/77/554455677.db2.gz PBPVYPXNLMDXEL-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000059858289 554455690 /nfs/dbraw/zinc/45/56/90/554455690.db2.gz NQWUFMISCCPPSR-UHFFFAOYSA-N -1 1 537.663 4.608 40 0 KJABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000059858710 554456217 /nfs/dbraw/zinc/45/62/17/554456217.db2.gz OPYPIQVSVGBDKR-UHFFFAOYSA-N -1 1 574.080 4.707 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccc(Cl)c1Cl ZINC000059858731 554456289 /nfs/dbraw/zinc/45/62/89/554456289.db2.gz AXOGQSBXAFFTPI-UHFFFAOYSA-N -1 1 562.884 4.852 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059881487 554456898 /nfs/dbraw/zinc/45/68/98/554456898.db2.gz PKXQOMQVDIGNKX-UHFFFAOYSA-N -1 1 609.726 4.955 40 0 KJABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000059881601 554456867 /nfs/dbraw/zinc/45/68/67/554456867.db2.gz JLOZCPOSYMVMRX-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000059881622 554457142 /nfs/dbraw/zinc/45/71/42/554457142.db2.gz KYOSQXWQNBGMEA-UHFFFAOYSA-N -1 1 537.663 4.662 40 0 KJABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059881632 554457217 /nfs/dbraw/zinc/45/72/17/554457217.db2.gz FGIFFAGOKKOYEU-UHFFFAOYSA-N -1 1 586.091 4.983 40 0 KJABMM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059881636 554457161 /nfs/dbraw/zinc/45/71/61/554457161.db2.gz SVZXJDHTNHWQOA-KRWDZBQOSA-N -1 1 585.626 4.698 40 0 KJABMM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059881643 554457180 /nfs/dbraw/zinc/45/71/80/554457180.db2.gz SVZXJDHTNHWQOA-QGZVFWFLSA-N -1 1 585.626 4.698 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000059881655 554457259 /nfs/dbraw/zinc/45/72/59/554457259.db2.gz FPEGJIIZTBGLOG-UHFFFAOYSA-N -1 1 592.017 4.573 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000059881743 554457168 /nfs/dbraw/zinc/45/71/68/554457168.db2.gz DJOHDUCHHORFQM-UHFFFAOYSA-N -1 1 622.043 4.582 40 0 KJABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000059881896 554457631 /nfs/dbraw/zinc/45/76/31/554457631.db2.gz KJRCADOJALRIHM-UHFFFAOYSA-N -1 1 572.492 4.516 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000059882099 554457755 /nfs/dbraw/zinc/45/77/55/554457755.db2.gz ITXKGLUTGCEDPO-UHFFFAOYSA-N -1 1 609.726 4.955 40 0 KJABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(F)cc2)cc1 ZINC000059882306 554458181 /nfs/dbraw/zinc/45/81/81/554458181.db2.gz QIESZEQIFPUAPY-UHFFFAOYSA-N -1 1 553.637 4.769 40 0 KJABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059882454 554458524 /nfs/dbraw/zinc/45/85/24/554458524.db2.gz GTHOWRJEDJERHC-UHFFFAOYSA-N -1 1 535.647 4.630 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059882492 554458408 /nfs/dbraw/zinc/45/84/08/554458408.db2.gz YPICSGINNWWJCA-UHFFFAOYSA-N -1 1 616.117 4.992 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)c1 ZINC000059882556 554458373 /nfs/dbraw/zinc/45/83/73/554458373.db2.gz WSWXQOOFCACIST-UHFFFAOYSA-N -1 1 565.673 4.993 40 0 KJABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000059882622 554458773 /nfs/dbraw/zinc/45/87/73/554458773.db2.gz OGWYKCSKFVTUIO-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Br)cc1 ZINC000059882634 554458798 /nfs/dbraw/zinc/45/87/98/554458798.db2.gz ZBZSPSNTKDVNHN-UHFFFAOYSA-N -1 1 588.505 4.808 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059882776 554458957 /nfs/dbraw/zinc/45/89/57/554458957.db2.gz LLGRTXSNCBEENQ-UHFFFAOYSA-N -1 1 586.091 4.983 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059882780 554458968 /nfs/dbraw/zinc/45/89/68/554458968.db2.gz DNEZEUSQSHAOBO-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059882864 554459048 /nfs/dbraw/zinc/45/90/48/554459048.db2.gz QGEIFWVDPWXRHH-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059882878 554459295 /nfs/dbraw/zinc/45/92/95/554459295.db2.gz MKBRPJZGYKAULI-UHFFFAOYSA-N -1 1 616.117 4.992 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000059882932 554459312 /nfs/dbraw/zinc/45/93/12/554459312.db2.gz SFPSYWVAXDWNLE-UHFFFAOYSA-N -1 1 556.493 4.816 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000059883043 554459518 /nfs/dbraw/zinc/45/95/18/554459518.db2.gz ALYPBFRUWWXYOA-UHFFFAOYSA-N -1 1 609.726 4.955 40 0 KJABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccccc2F)cc1 ZINC000059883124 554459613 /nfs/dbraw/zinc/45/96/13/554459613.db2.gz MMWXNGHKRHTOAY-UHFFFAOYSA-N -1 1 553.637 4.769 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059883136 554459577 /nfs/dbraw/zinc/45/95/77/554459577.db2.gz JPHRQDXGFRSICI-UHFFFAOYSA-N -1 1 609.726 4.955 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1Cl ZINC000059883182 554459827 /nfs/dbraw/zinc/45/98/27/554459827.db2.gz BKACTMKVCXEMEJ-UHFFFAOYSA-N -1 1 556.493 4.816 40 0 KJABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059883193 554460005 /nfs/dbraw/zinc/46/00/05/554460005.db2.gz QEJPNYIMGVULSA-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059883309 554460265 /nfs/dbraw/zinc/46/02/65/554460265.db2.gz PLBCLKLBHCYJEY-UHFFFAOYSA-N -1 1 595.699 4.647 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C)cc2)cc1 ZINC000059883324 554460208 /nfs/dbraw/zinc/46/02/08/554460208.db2.gz CZBKYFAQDRNMRU-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1Cl ZINC000059883332 554460120 /nfs/dbraw/zinc/46/01/20/554460120.db2.gz AVGMPVWZZANIHG-UHFFFAOYSA-N -1 1 544.054 4.699 40 0 KJABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000059883341 554460219 /nfs/dbraw/zinc/46/02/19/554460219.db2.gz VOOFSLYKSAJPBY-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1F ZINC000059883487 554460513 /nfs/dbraw/zinc/46/05/13/554460513.db2.gz LHMKGAKHSRTKRG-UHFFFAOYSA-N -1 1 579.981 4.703 40 0 KJABMM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059883489 554460658 /nfs/dbraw/zinc/46/06/58/554460658.db2.gz DLKSKAANQGUIGI-UHFFFAOYSA-N -1 1 586.917 4.616 40 0 KJABMM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 ZINC000059883723 554461297 /nfs/dbraw/zinc/46/12/97/554461297.db2.gz WPLHLINMJISXKX-SFHVURJKSA-N -1 1 566.101 4.641 40 0 KJABMM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 ZINC000059883727 554461262 /nfs/dbraw/zinc/46/12/62/554461262.db2.gz WPLHLINMJISXKX-GOSISDBHSA-N -1 1 566.101 4.641 40 0 KJABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000059883819 554461325 /nfs/dbraw/zinc/46/13/25/554461325.db2.gz HHNUOZFSNVGAIM-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000059883843 554461177 /nfs/dbraw/zinc/46/11/77/554461177.db2.gz WKDVSUVLCGWMMM-FQEVSTJZSA-N -1 1 567.689 4.833 40 0 KJABMM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000059883846 554461254 /nfs/dbraw/zinc/46/12/54/554461254.db2.gz WKDVSUVLCGWMMM-HXUWFJFHSA-N -1 1 567.689 4.833 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059883894 554461459 /nfs/dbraw/zinc/46/14/59/554461459.db2.gz IKUBBLXFGKPJRD-UHFFFAOYSA-N -1 1 622.043 4.582 40 0 KJABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccccc2)cc1 ZINC000059884048 554461692 /nfs/dbraw/zinc/46/16/92/554461692.db2.gz RAOOWGKXPVMIJU-UHFFFAOYSA-N -1 1 535.647 4.630 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059884194 554462100 /nfs/dbraw/zinc/46/21/00/554462100.db2.gz IVYYKLIGBUGCLB-UHFFFAOYSA-N -1 1 609.726 4.955 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 ZINC000059884355 554462500 /nfs/dbraw/zinc/46/25/00/554462500.db2.gz RZWSZOFHCHSFNM-UHFFFAOYSA-N -1 1 556.493 4.816 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059884418 554462437 /nfs/dbraw/zinc/46/24/37/554462437.db2.gz ZBBBOMGDNNGNIU-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000059884424 554462443 /nfs/dbraw/zinc/46/24/43/554462443.db2.gz BYCGTUDRTXWJGS-UHFFFAOYSA-N -1 1 586.917 4.616 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059884440 554462374 /nfs/dbraw/zinc/46/23/74/554462374.db2.gz AHPIMWLLJOBBOA-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059884492 554462689 /nfs/dbraw/zinc/46/26/89/554462689.db2.gz FOAFOXBIENYPTJ-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C)cc2)cc1 ZINC000059884497 554462742 /nfs/dbraw/zinc/46/27/42/554462742.db2.gz KVPLNNMZHRYPOB-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059884527 554462711 /nfs/dbraw/zinc/46/27/11/554462711.db2.gz BPZUYFPSNQVFSI-UHFFFAOYSA-N -1 1 565.673 4.720 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059884649 554463008 /nfs/dbraw/zinc/46/30/08/554463008.db2.gz KAAXWRIYESCZSC-UHFFFAOYSA-N -1 1 592.017 4.573 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000059884665 554463000 /nfs/dbraw/zinc/46/30/00/554463000.db2.gz JENUYQWJLGDROI-UHFFFAOYSA-N -1 1 595.543 4.930 40 0 KJABMM O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059884699 554463073 /nfs/dbraw/zinc/46/30/73/554463073.db2.gz OZCYDOJEXZMQBE-UHFFFAOYSA-N -1 1 556.065 4.975 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000059884710 554463111 /nfs/dbraw/zinc/46/31/11/554463111.db2.gz INBRQGBEJHJNFH-UHFFFAOYSA-N -1 1 561.991 4.564 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000059884716 554463069 /nfs/dbraw/zinc/46/30/69/554463069.db2.gz SUUYWANRRFBDGH-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000059884899 554463669 /nfs/dbraw/zinc/46/36/69/554463669.db2.gz LWXMYMVIWKFHIX-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c2ccccc2)cc1 ZINC000059885046 554463979 /nfs/dbraw/zinc/46/39/79/554463979.db2.gz NFKBYDQQNCQFCH-UHFFFAOYSA-N -1 1 586.091 4.983 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c(C)c1 ZINC000059885061 554464000 /nfs/dbraw/zinc/46/40/00/554464000.db2.gz PDEWOSAQNJDUAQ-UHFFFAOYSA-N -1 1 555.600 4.528 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000059885157 554464227 /nfs/dbraw/zinc/46/42/27/554464227.db2.gz BTBSDSJQEVVZLG-UHFFFAOYSA-N -1 1 562.884 4.852 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000059885177 554464136 /nfs/dbraw/zinc/46/41/36/554464136.db2.gz NJHGWDVFACWSTM-UHFFFAOYSA-N -1 1 595.699 4.647 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000059885233 554464236 /nfs/dbraw/zinc/46/42/36/554464236.db2.gz JCSBDAHLOOJTTD-UHFFFAOYSA-N -1 1 550.102 4.977 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 ZINC000059885257 554464109 /nfs/dbraw/zinc/46/41/09/554464109.db2.gz XRWHKQQFQNVGCD-UHFFFAOYSA-N -1 1 555.600 4.528 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000059885381 554464447 /nfs/dbraw/zinc/46/44/47/554464447.db2.gz FISXSXPBDYZCFO-UHFFFAOYSA-N -1 1 607.335 4.961 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc4ccccc43)S(C)(=O)=O)cc2)c1 ZINC000059885449 554464416 /nfs/dbraw/zinc/46/44/16/554464416.db2.gz SLXVSZFPPLQUBD-UHFFFAOYSA-N -1 1 537.663 4.662 40 0 KJABMM O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059885453 554464366 /nfs/dbraw/zinc/46/43/66/554464366.db2.gz UIZVFHPJKSVMHR-UHFFFAOYSA-N -1 1 556.065 4.975 40 0 KJABMM Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000059885500 554464845 /nfs/dbraw/zinc/46/48/45/554464845.db2.gz HEIYYESFKYHOLA-UHFFFAOYSA-N -1 1 537.663 4.662 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c(C)c1 ZINC000059885555 554464683 /nfs/dbraw/zinc/46/46/83/554464683.db2.gz JWPIYDRHIAVNNR-UHFFFAOYSA-N -1 1 537.663 4.662 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C ZINC000059885656 554465052 /nfs/dbraw/zinc/46/50/52/554465052.db2.gz JIHZDLFFFBWRRW-UHFFFAOYSA-N -1 1 555.600 4.528 40 0 KJABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000059885702 554464948 /nfs/dbraw/zinc/46/49/48/554464948.db2.gz XLLSWVVKKHDACH-UHFFFAOYSA-N -1 1 537.663 4.662 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000059885714 554464932 /nfs/dbraw/zinc/46/49/32/554464932.db2.gz QVGJXDZZABSUJS-UHFFFAOYSA-N -1 1 609.726 4.955 40 0 KJABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccccc2)cc1 ZINC000059885783 554464957 /nfs/dbraw/zinc/46/49/57/554464957.db2.gz AJAQSAWBJOLFQH-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccccc2)cc1 ZINC000059885917 554465689 /nfs/dbraw/zinc/46/56/89/554465689.db2.gz RJZLVGKVALMXTJ-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1Cl ZINC000059885961 554465682 /nfs/dbraw/zinc/46/56/82/554465682.db2.gz FQXGOGGELHSGHT-UHFFFAOYSA-N -1 1 561.991 4.564 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000059885976 554465586 /nfs/dbraw/zinc/46/55/86/554465586.db2.gz LDRSHKWNGNZWTM-UHFFFAOYSA-N -1 1 579.981 4.703 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000059886056 554466021 /nfs/dbraw/zinc/46/60/21/554466021.db2.gz XKQZAFUTQAIPON-UHFFFAOYSA-N -1 1 606.442 4.673 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000059886074 554466040 /nfs/dbraw/zinc/46/60/40/554466040.db2.gz QODULFBPJZMUIQ-UHFFFAOYSA-N -1 1 556.493 4.816 40 0 KJABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059886086 554466084 /nfs/dbraw/zinc/46/60/84/554466084.db2.gz IGQHDTFAXIKCSU-UHFFFAOYSA-N -1 1 606.044 4.881 40 0 KJABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059886104 554466142 /nfs/dbraw/zinc/46/61/42/554466142.db2.gz IMHKVGHMSICVFJ-UHFFFAOYSA-N -1 1 536.075 4.669 40 0 KJABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000059886123 554466031 /nfs/dbraw/zinc/46/60/31/554466031.db2.gz VJWXALUUQALMKE-UHFFFAOYSA-N -1 1 555.600 4.528 40 0 KJABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccccc2C)cc1 ZINC000059886149 554466093 /nfs/dbraw/zinc/46/60/93/554466093.db2.gz PSLPRWVYRMOCFB-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059886205 554466229 /nfs/dbraw/zinc/46/62/29/554466229.db2.gz ZLDCELZAYLISRM-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059886287 554466406 /nfs/dbraw/zinc/46/64/06/554466406.db2.gz WTDWILQLSCJYKU-UHFFFAOYSA-N -1 1 606.044 4.963 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1C ZINC000059886363 554466781 /nfs/dbraw/zinc/46/67/81/554466781.db2.gz ADLFIZZTYJWRTH-UHFFFAOYSA-N -1 1 537.663 4.662 40 0 KJABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059886694 554467410 /nfs/dbraw/zinc/46/74/10/554467410.db2.gz UJRNNALJOVOHPQ-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000059886707 554467417 /nfs/dbraw/zinc/46/74/17/554467417.db2.gz MZMQRINSQWGZET-UHFFFAOYSA-N -1 1 556.493 4.816 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000059886721 554467269 /nfs/dbraw/zinc/46/72/69/554467269.db2.gz HSZRCTQLHXCYKV-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1Cl ZINC000059886757 554467434 /nfs/dbraw/zinc/46/74/34/554467434.db2.gz ZBMRZJYMTSGREX-UHFFFAOYSA-N -1 1 572.492 4.516 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccccc2)cc1 ZINC000059886805 554467325 /nfs/dbraw/zinc/46/73/25/554467325.db2.gz RJDAEWRJZWUYTI-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 ZINC000059886908 554467587 /nfs/dbraw/zinc/46/75/87/554467587.db2.gz NCPMKINYSXATDT-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059887028 554467983 /nfs/dbraw/zinc/46/79/83/554467983.db2.gz FQRZNRWVBUDVBC-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1OC ZINC000059887048 554467919 /nfs/dbraw/zinc/46/79/19/554467919.db2.gz YZKNNSNBEXVASX-UHFFFAOYSA-N -1 1 622.043 4.582 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 ZINC000059887086 554467895 /nfs/dbraw/zinc/46/78/95/554467895.db2.gz KPFSTPOIUSWHGZ-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059887103 554468019 /nfs/dbraw/zinc/46/80/19/554468019.db2.gz JZWNUAZFLZLEJV-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1)c1ccccc1 ZINC000059887175 554468441 /nfs/dbraw/zinc/46/84/41/554468441.db2.gz CCRHXSBDEJLZJA-UHFFFAOYSA-N -1 1 535.647 4.706 40 0 KJABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059887231 554468312 /nfs/dbraw/zinc/46/83/12/554468312.db2.gz FEZNOMWGVDNBBE-UHFFFAOYSA-N -1 1 549.674 4.884 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccc(C)cc2)cc1OC ZINC000059887287 554468282 /nfs/dbraw/zinc/46/82/82/554468282.db2.gz WIZCILABHRZLFW-UHFFFAOYSA-N -1 1 595.699 4.647 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000059887300 554468423 /nfs/dbraw/zinc/46/84/23/554468423.db2.gz JXDYQVOTRKYTIT-UHFFFAOYSA-N -1 1 544.054 4.699 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000059887370 554468775 /nfs/dbraw/zinc/46/87/75/554468775.db2.gz ZGOSTFDGJXWKSI-UHFFFAOYSA-N -1 1 561.991 4.564 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(Br)c1 ZINC000059887394 554468761 /nfs/dbraw/zinc/46/87/61/554468761.db2.gz QDUYYYSNRQXBAJ-UHFFFAOYSA-N -1 1 606.442 4.673 40 0 KJABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000059887411 554468638 /nfs/dbraw/zinc/46/86/38/554468638.db2.gz MCPSOJKPTYEXAX-UHFFFAOYSA-N -1 1 556.493 4.816 40 0 KJABMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059887435 554468699 /nfs/dbraw/zinc/46/86/99/554468699.db2.gz DGYYERORRYTDLT-UHFFFAOYSA-N -1 1 580.526 4.778 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059887469 554468922 /nfs/dbraw/zinc/46/89/22/554468922.db2.gz DJEFHKUTIOBVMP-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059887480 554469062 /nfs/dbraw/zinc/46/90/62/554469062.db2.gz WSMSCTVHNGHBTC-UHFFFAOYSA-N -1 1 535.647 4.630 40 0 KJABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059887542 554468939 /nfs/dbraw/zinc/46/89/39/554468939.db2.gz RNRLOCKMOAYBDO-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Br)cc1 ZINC000059887659 554469185 /nfs/dbraw/zinc/46/91/85/554469185.db2.gz UIUJJUPRUUJIHZ-UHFFFAOYSA-N -1 1 606.442 4.673 40 0 KJABMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cccc(C)c2)cc1 ZINC000059887726 554469189 /nfs/dbraw/zinc/46/91/89/554469189.db2.gz VGLKKQZLBXZJQR-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059887791 554469593 /nfs/dbraw/zinc/46/95/93/554469593.db2.gz DGFOEKYGWDXFPB-UHFFFAOYSA-N -1 1 553.637 4.769 40 0 KJABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059887807 554469728 /nfs/dbraw/zinc/46/97/28/554469728.db2.gz GADCOYTZIMHHNB-UHFFFAOYSA-N -1 1 565.673 4.720 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000059887817 554469742 /nfs/dbraw/zinc/46/97/42/554469742.db2.gz HKUKEDUGXQEKNX-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1C ZINC000059887837 554469577 /nfs/dbraw/zinc/46/95/77/554469577.db2.gz WOEHBHAZALAYQS-UHFFFAOYSA-N -1 1 555.600 4.528 40 0 KJABMM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000059888004 554470031 /nfs/dbraw/zinc/47/00/31/554470031.db2.gz QTTJYQSZCBSQDS-UHFFFAOYSA-N -1 1 535.647 4.706 40 0 KJABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059888007 554470016 /nfs/dbraw/zinc/47/00/16/554470016.db2.gz BNNHOLLKGSWALM-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cccc2ccccc21 ZINC000059888075 554470378 /nfs/dbraw/zinc/47/03/78/554470378.db2.gz YEAYRPDCEFGKMI-UHFFFAOYSA-N -1 1 588.505 4.808 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(Cl)c1 ZINC000059888092 554470405 /nfs/dbraw/zinc/47/04/05/554470405.db2.gz JDKGGSRTMISGPQ-UHFFFAOYSA-N -1 1 544.054 4.699 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059888195 554470733 /nfs/dbraw/zinc/47/07/33/554470733.db2.gz TXZUOVCLISEHHT-UHFFFAOYSA-N -1 1 595.699 4.647 40 0 KJABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000059888205 554470614 /nfs/dbraw/zinc/47/06/14/554470614.db2.gz KRHLDUVVPVVROB-UHFFFAOYSA-N -1 1 555.600 4.528 40 0 KJABMM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2ccccc2)cc1 ZINC000059888268 554470673 /nfs/dbraw/zinc/47/06/73/554470673.db2.gz LBYCCVPBNXDMHY-UHFFFAOYSA-N -1 1 565.673 4.720 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059888325 554471132 /nfs/dbraw/zinc/47/11/32/554471132.db2.gz RFYPYFSRUVLSHQ-UHFFFAOYSA-N -1 1 609.726 4.955 40 0 KJABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059888371 554470983 /nfs/dbraw/zinc/47/09/83/554470983.db2.gz PDGUUNYNTSWNHT-UHFFFAOYSA-N -1 1 586.091 4.983 40 0 KJABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1C ZINC000059888440 554471318 /nfs/dbraw/zinc/47/13/18/554471318.db2.gz XAQTYJXNSQZWJC-UHFFFAOYSA-N -1 1 537.663 4.662 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059888448 554471190 /nfs/dbraw/zinc/47/11/90/554471190.db2.gz AORSXOSKIBMUAY-UHFFFAOYSA-N -1 1 607.335 4.961 40 0 KJABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000059888696 554471627 /nfs/dbraw/zinc/47/16/27/554471627.db2.gz CXFFJQNJQJLCFY-UHFFFAOYSA-N -1 1 592.017 4.573 40 0 KJABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059888738 554471725 /nfs/dbraw/zinc/47/17/25/554471725.db2.gz MOHJSNSCYGAZDC-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(Br)c1 ZINC000059888834 554471755 /nfs/dbraw/zinc/47/17/55/554471755.db2.gz WSLGTMMFVZIEES-UHFFFAOYSA-N -1 1 588.505 4.808 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059888887 554471738 /nfs/dbraw/zinc/47/17/38/554471738.db2.gz YTQHAWYWTVXCIM-UHFFFAOYSA-N -1 1 586.091 4.983 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059889051 554472082 /nfs/dbraw/zinc/47/20/82/554472082.db2.gz XQXHGCBKOZNMCJ-UHFFFAOYSA-N -1 1 535.647 4.630 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059889063 554472403 /nfs/dbraw/zinc/47/24/03/554472403.db2.gz CYSBFXJJWWIANN-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000059923331 554473118 /nfs/dbraw/zinc/47/31/18/554473118.db2.gz KOTIPMFXNBRFKY-IBGZPJMESA-N -1 1 528.030 4.610 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000059923342 554473219 /nfs/dbraw/zinc/47/32/19/554473219.db2.gz KOTIPMFXNBRFKY-LJQANCHMSA-N -1 1 528.030 4.610 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000059923381 554473145 /nfs/dbraw/zinc/47/31/45/554473145.db2.gz KJXLWJPRVZTYSL-UHFFFAOYSA-N -1 1 567.611 4.684 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000059923545 554473444 /nfs/dbraw/zinc/47/34/44/554473444.db2.gz KFBFXXVANOYFEV-UHFFFAOYSA-N -1 1 528.439 4.726 40 0 KJABMM CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000059924246 554474983 /nfs/dbraw/zinc/47/49/83/554474983.db2.gz LZIAVOSVBJYQEX-UHFFFAOYSA-N -1 1 530.027 4.918 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)cc1Cl ZINC000059924672 554475896 /nfs/dbraw/zinc/47/58/96/554475896.db2.gz NIRUMSKGJHRWTB-UHFFFAOYSA-N -1 1 548.086 4.627 40 0 KJABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1Cl ZINC000059924834 554476243 /nfs/dbraw/zinc/47/62/43/554476243.db2.gz IPTYLVZVXLUZAQ-UHFFFAOYSA-N -1 1 530.027 4.918 40 0 KJABMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OC ZINC000059924869 554476163 /nfs/dbraw/zinc/47/61/63/554476163.db2.gz PTHFSNKOXQURTO-UHFFFAOYSA-N -1 1 537.457 4.998 40 0 KJABMM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)Oc2ccc(Cl)cc21 ZINC000060017985 554488893 /nfs/dbraw/zinc/48/88/93/554488893.db2.gz CZWCJHHNPMQDLR-OAQYLSRUSA-N -1 1 590.894 4.613 40 0 KJABMM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)Oc2ccc(Cl)cc21 ZINC000060017988 554488778 /nfs/dbraw/zinc/48/87/78/554488778.db2.gz CZWCJHHNPMQDLR-NRFANRHFSA-N -1 1 590.894 4.613 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060018048 554488914 /nfs/dbraw/zinc/48/89/14/554488914.db2.gz HPTSDQZSYPKQFP-QFIPXVFZSA-N -1 1 576.140 4.754 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060018053 554488905 /nfs/dbraw/zinc/48/89/05/554488905.db2.gz HPTSDQZSYPKQFP-JOCHJYFZSA-N -1 1 576.140 4.754 40 0 KJABMM COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000060018214 554489097 /nfs/dbraw/zinc/48/90/97/554489097.db2.gz VKIYOGRPQCULLH-UHFFFAOYSA-N -1 1 578.112 4.885 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cc1 ZINC000060028190 554490804 /nfs/dbraw/zinc/49/08/04/554490804.db2.gz ZYNVQPLWAFOCMI-UHFFFAOYSA-N -1 1 548.086 4.876 40 0 KJABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)ccc2Cl)c(C)c1 ZINC000060028306 554492132 /nfs/dbraw/zinc/49/21/32/554492132.db2.gz STYAMPBZDGVMPC-UHFFFAOYSA-N -1 1 572.068 4.601 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1N1CCCC1=O ZINC000060028523 554493163 /nfs/dbraw/zinc/49/31/63/554493163.db2.gz UAZMCKYHOJSCOQ-UHFFFAOYSA-N -1 1 551.646 4.577 40 0 KJABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)ccc2Cl)cc1 ZINC000060028534 554493124 /nfs/dbraw/zinc/49/31/24/554493124.db2.gz LCDXNCHLTJEKDU-UHFFFAOYSA-N -1 1 557.053 4.897 40 0 KJABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)ccc2Cl)c(C)c1 ZINC000060028557 554493449 /nfs/dbraw/zinc/49/34/49/554493449.db2.gz WHNUHRQUPFZXPJ-UHFFFAOYSA-N -1 1 586.095 4.909 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000060028575 554493723 /nfs/dbraw/zinc/49/37/23/554493723.db2.gz SZUCFPPEAODLFU-UHFFFAOYSA-N -1 1 549.674 4.819 40 0 KJABMM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4C)c3)cc2)n1 ZINC000060028660 554494312 /nfs/dbraw/zinc/49/43/12/554494312.db2.gz ISNNEBWEUSRLSP-UHFFFAOYSA-N -1 1 572.068 4.601 40 0 KJABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000060028676 554494575 /nfs/dbraw/zinc/49/45/75/554494575.db2.gz UCTNFGQYHQIDMC-UHFFFAOYSA-N -1 1 534.059 4.685 40 0 KJABMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)ccc2Cl)c1 ZINC000060028809 554495638 /nfs/dbraw/zinc/49/56/38/554495638.db2.gz VJFOGFTVMJDGRM-UHFFFAOYSA-N -1 1 586.095 4.909 40 0 KJABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)cc1Cl ZINC000060028832 554495952 /nfs/dbraw/zinc/49/59/52/554495952.db2.gz JGEUXRCKWCMPBZ-UHFFFAOYSA-N -1 1 534.059 4.685 40 0 KJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000060042810 554497026 /nfs/dbraw/zinc/49/70/26/554497026.db2.gz VKNQJSVIGNNXON-UHFFFAOYSA-N -1 1 528.439 4.726 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000060043169 554497557 /nfs/dbraw/zinc/49/75/57/554497557.db2.gz PQNCCHXSZXIHHP-UHFFFAOYSA-N -1 1 606.564 4.739 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1N1CCCC1=O ZINC000060060508 554499474 /nfs/dbraw/zinc/49/94/74/554499474.db2.gz BNUVCNCWRDCIIA-UHFFFAOYSA-N -1 1 570.476 4.730 40 0 KJABMM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)ccc1Cl ZINC000060060737 554500445 /nfs/dbraw/zinc/50/04/45/554500445.db2.gz HSKCZHSGJZLDRM-UHFFFAOYSA-N -1 1 557.053 4.897 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000060060792 554500841 /nfs/dbraw/zinc/50/08/41/554500841.db2.gz XIMJCSBPXYHWQH-UHFFFAOYSA-N -1 1 606.564 4.739 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000060060993 554501697 /nfs/dbraw/zinc/50/16/97/554501697.db2.gz RZEABILWZFWEON-UHFFFAOYSA-N -1 1 543.026 4.589 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000060061014 554501683 /nfs/dbraw/zinc/50/16/83/554501683.db2.gz VXUXIPJJELDFDA-UHFFFAOYSA-N -1 1 618.055 4.574 40 0 KJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000060061108 554502033 /nfs/dbraw/zinc/50/20/33/554502033.db2.gz ZQTZRYWVRHNENC-UHFFFAOYSA-N -1 1 528.439 4.726 40 0 KJABMM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)c3ccc(OCC)c(-c4nc(=O)c5c([n-]4)c(CCC)nn5C)c3)ccc1OCC)[nH]c2=O ZINC000077286741 553658424 /nfs/dbraw/zinc/65/84/24/553658424.db2.gz ZBSAXUCQFZBWNK-UHFFFAOYSA-N -1 1 686.795 4.908 40 0 in-vitro KJABMM COC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1 ZINC000085480901 553682213 /nfs/dbraw/zinc/68/22/13/553682213.db2.gz ZTSGDCMQRKBJKC-ZDUSSCGKSA-N -1 1 790.899 4.646 40 0 in-vitro KJABMM C[C@@]([NH3+])(Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000094303292 553696370 /nfs/dbraw/zinc/69/63/70/553696370.db2.gz XVWORJPLTFZBFO-MRXNPFEDSA-N -1 1 790.899 4.947 40 0 in-vitro KJABMM C[C@]([NH3+])(Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000094303293 553696391 /nfs/dbraw/zinc/69/63/91/553696391.db2.gz XVWORJPLTFZBFO-INIZCTEOSA-N -1 1 790.899 4.947 40 0 in-vitro KJABMM NC(=O)Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1 ZINC000094313237 553697169 /nfs/dbraw/zinc/69/71/69/553697169.db2.gz MNMHUDWTDPTECO-UHFFFAOYSA-N -1 1 746.846 4.631 40 0 in-vitro KJABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000097953974 553820311 /nfs/dbraw/zinc/82/03/11/553820311.db2.gz AOSMQUGFTDUVIK-FUDKSRODSA-N -1 1 543.359 4.760 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 ZINC000100083640 554207785 /nfs/dbraw/zinc/20/77/85/554207785.db2.gz LKQHANWLEUGULR-UHFFFAOYSA-N -1 1 533.071 4.914 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C)cc1 ZINC000100090768 554211095 /nfs/dbraw/zinc/21/10/95/554211095.db2.gz OXNWCQXFLROCJC-UHFFFAOYSA-N -1 1 541.695 4.921 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000100091412 554211764 /nfs/dbraw/zinc/21/17/64/554211764.db2.gz QDKJMOYMTMXSQR-GOSISDBHSA-N -1 1 582.531 4.975 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000100091416 554211953 /nfs/dbraw/zinc/21/19/53/554211953.db2.gz QDKJMOYMTMXSQR-SFHVURJKSA-N -1 1 582.531 4.975 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000100092539 554213108 /nfs/dbraw/zinc/21/31/08/554213108.db2.gz NLIDDAUFMUXMJX-GOSISDBHSA-N -1 1 582.531 4.975 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000100092542 554213090 /nfs/dbraw/zinc/21/30/90/554213090.db2.gz NLIDDAUFMUXMJX-SFHVURJKSA-N -1 1 582.531 4.975 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)NC(C)C ZINC000100092707 554213203 /nfs/dbraw/zinc/21/32/03/554213203.db2.gz VTJSKUUZCRBAFB-UHFFFAOYSA-N -1 1 572.492 4.742 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000100093065 554213585 /nfs/dbraw/zinc/21/35/85/554213585.db2.gz SRBNVVQGUQNCPK-HHHXNRCGSA-N -1 1 598.102 4.877 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000100093071 554213621 /nfs/dbraw/zinc/21/36/21/554213621.db2.gz SRBNVVQGUQNCPK-MHZLTWQESA-N -1 1 598.102 4.877 40 0 KJABMM COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000100093577 554214075 /nfs/dbraw/zinc/21/40/75/554214075.db2.gz JYYCCXJHFDFRGQ-UHFFFAOYSA-N -1 1 557.675 4.919 40 0 KJABMM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)C2)cc1 ZINC000100094003 554214299 /nfs/dbraw/zinc/21/42/99/554214299.db2.gz AXLLELISBFMNQO-QFIPXVFZSA-N -1 1 579.700 4.689 40 0 KJABMM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)C2)cc1 ZINC000100094005 554214308 /nfs/dbraw/zinc/21/43/08/554214308.db2.gz AXLLELISBFMNQO-JOCHJYFZSA-N -1 1 579.700 4.689 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000100094170 554214728 /nfs/dbraw/zinc/21/47/28/554214728.db2.gz SNDYEKSFQKVFJR-UHFFFAOYSA-N -1 1 582.531 4.975 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000100094849 554215570 /nfs/dbraw/zinc/21/55/70/554215570.db2.gz GJHDISMIVRDBRL-UHFFFAOYSA-N -1 1 582.531 4.975 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000100095216 554215864 /nfs/dbraw/zinc/21/58/64/554215864.db2.gz YSRRVZXJDGAWQU-UHFFFAOYSA-N -1 1 620.591 4.863 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000100095434 554215837 /nfs/dbraw/zinc/21/58/37/554215837.db2.gz PYMHSNJZPLEGCN-UHFFFAOYSA-N -1 1 582.531 4.975 40 0 KJABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1)S(C)(=O)=O ZINC000100095518 554216206 /nfs/dbraw/zinc/21/62/06/554216206.db2.gz VVARHQGVCYXTAT-UHFFFAOYSA-N -1 1 541.573 4.544 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)NC(C)C ZINC000100095933 554216626 /nfs/dbraw/zinc/21/66/26/554216626.db2.gz VKUXZNQASTYCOG-UHFFFAOYSA-N -1 1 572.492 4.742 40 0 KJABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1OC ZINC000100096078 554217062 /nfs/dbraw/zinc/21/70/62/554217062.db2.gz SQUXATNTEJMVQK-UHFFFAOYSA-N -1 1 592.017 4.719 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)c1 ZINC000100096341 554217451 /nfs/dbraw/zinc/21/74/51/554217451.db2.gz BXFVBTIUHRJMAK-LJAQVGFWSA-N -1 1 591.711 4.840 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)c1 ZINC000100096343 554217411 /nfs/dbraw/zinc/21/74/11/554217411.db2.gz BXFVBTIUHRJMAK-GDLZYMKVSA-N -1 1 591.711 4.840 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)c1 ZINC000100096849 554218167 /nfs/dbraw/zinc/21/81/67/554218167.db2.gz FNFCATJLVCHIIB-NDEPHWFRSA-N -1 1 577.684 4.532 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)c1 ZINC000100096850 554218275 /nfs/dbraw/zinc/21/82/75/554218275.db2.gz FNFCATJLVCHIIB-MUUNZHRXSA-N -1 1 577.684 4.532 40 0 KJABMM CCc1ccccc1NC(=O)CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)o1 ZINC000100372877 554357875 /nfs/dbraw/zinc/35/78/75/554357875.db2.gz SKMFUOFGPNHEGO-UHFFFAOYSA-N -1 1 524.624 4.839 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)c4cc(OC)ccc4OC)o3)cc2)cc1 ZINC000100372896 554357942 /nfs/dbraw/zinc/35/79/42/554357942.db2.gz JYRNHIMJBUJECS-UHFFFAOYSA-N -1 1 541.607 4.538 40 0 KJABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)Nc1nc2ccccc2s1 ZINC000100378406 554361703 /nfs/dbraw/zinc/36/17/03/554361703.db2.gz MGVUMTDFHDWACB-UHFFFAOYSA-N -1 1 523.621 4.878 40 0 KJABMM CCc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000100998672 554551450 /nfs/dbraw/zinc/55/14/50/554551450.db2.gz SBEUYIHTWADGOD-MMXANPLTSA-N -1 1 532.604 4.863 40 0 KJABMM CCc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000100998673 554551580 /nfs/dbraw/zinc/55/15/80/554551580.db2.gz SBEUYIHTWADGOD-JFPMUIDKSA-N -1 1 532.604 4.863 40 0 KJABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000101081201 554578945 /nfs/dbraw/zinc/57/89/45/554578945.db2.gz AOSMQUGFTDUVIK-GIWBLDEGSA-N -1 1 543.359 4.760 40 0 KJABMM O=S(=O)([N-]c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)c1ccc(Br)cc1 ZINC000101082780 554579447 /nfs/dbraw/zinc/57/94/47/554579447.db2.gz HHRIGBKSUZARKC-UHFFFAOYSA-N -1 1 546.262 4.813 40 0 KJABMM COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nnc2-c2cc(-c3cccs3)n[nH]2)c1 ZINC000101547985 554796124 /nfs/dbraw/zinc/79/61/24/554796124.db2.gz DPYSCUYXVGMWEI-UHFFFAOYSA-N -1 1 562.633 4.832 40 0 KJABMM COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000102730751 555023513 /nfs/dbraw/zinc/02/35/13/555023513.db2.gz YSHCDVHRSBXTKW-RJGXRXQPSA-N -1 1 509.356 4.517 40 0 KJABMM COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000102730759 555023506 /nfs/dbraw/zinc/02/35/06/555023506.db2.gz YSHCDVHRSBXTKW-XPWALMASSA-N -1 1 509.356 4.517 40 0 KJABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102734926 555024997 /nfs/dbraw/zinc/02/49/97/555024997.db2.gz AOSMQUGFTDUVIK-FUPPJEDESA-N -1 1 543.359 4.760 40 0 KJABMM Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c([N-]S(=O)(=O)c4cccc(Cl)c4)c3)nn12 ZINC000103248892 555344118 /nfs/dbraw/zinc/34/41/18/555344118.db2.gz KYUOSUSWJMMNLI-UHFFFAOYSA-N -1 1 535.029 4.544 40 0 KJABMM Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)nn12 ZINC000103248895 555344139 /nfs/dbraw/zinc/34/41/39/555344139.db2.gz RHPSSUMJYGAMNR-UHFFFAOYSA-N -1 1 535.029 4.544 40 0 KJABMM O=c1/c(=C\c2ccc([O-])c(Br)c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000103713636 555464859 /nfs/dbraw/zinc/46/48/59/555464859.db2.gz JZEGRGLRCKBFPX-RQLGBQGVSA-N -1 1 521.461 4.848 40 0 KJABMM O=c1/c(=C\c2ccc([O-])c(Br)c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000103713643 555464815 /nfs/dbraw/zinc/46/48/15/555464815.db2.gz JZEGRGLRCKBFPX-FJWZAKCXSA-N -1 1 521.461 4.848 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103789950 555479599 /nfs/dbraw/zinc/47/95/99/555479599.db2.gz QQZMEXSYRFDGQT-VMOHIOPYSA-N -1 1 622.912 4.885 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103789955 555479630 /nfs/dbraw/zinc/47/96/30/555479630.db2.gz QQZMEXSYRFDGQT-IYMWYRQMSA-N -1 1 622.912 4.885 40 0 KJABMM COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc([O-])c(Br)c4)c(=O)n32)cc1 ZINC000103865475 571368007 /nfs/dbraw/zinc/36/80/07/571368007.db2.gz ZDFFDRPMCLGOBN-CRCYZHLCSA-N -1 1 604.526 4.967 40 0 KJABMM COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc([O-])c(Br)c4)c(=O)n32)cc1 ZINC000103865480 571367972 /nfs/dbraw/zinc/36/79/72/571367972.db2.gz ZDFFDRPMCLGOBN-FQKMCRJQSA-N -1 1 604.526 4.967 40 0 KJABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(I)cc4)ccc32)cc1 ZINC000104406508 571380919 /nfs/dbraw/zinc/38/09/19/571380919.db2.gz SZGQQJBFVQMHSO-UHFFFAOYSA-N -1 1 532.403 4.993 40 0 KJABMM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc21 ZINC000104406866 571380886 /nfs/dbraw/zinc/38/08/86/571380886.db2.gz KWYJHKNIJGSHLK-UHFFFAOYSA-N -1 1 536.366 4.824 40 0 KJABMM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc([O-])c(Br)c4)c(=O)n31)c1ccccc1CC2 ZINC000104655600 571383759 /nfs/dbraw/zinc/38/37/59/571383759.db2.gz WCQLOUXSQJFTJG-LMSRTUJASA-N -1 1 545.458 4.795 40 0 KJABMM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc([O-])c(Br)c4)c(=O)n31)c1ccccc1CC2 ZINC000104655602 571383736 /nfs/dbraw/zinc/38/37/36/571383736.db2.gz WCQLOUXSQJFTJG-RISWYLRJSA-N -1 1 545.458 4.795 40 0 KJABMM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc([O-])c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658569 571384684 /nfs/dbraw/zinc/38/46/84/571384684.db2.gz IOISAQHOFPXWRW-ORVZPOCUSA-N -1 1 575.484 4.804 40 0 KJABMM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc([O-])c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658573 571384666 /nfs/dbraw/zinc/38/46/66/571384666.db2.gz IOISAQHOFPXWRW-IYVASWNSSA-N -1 1 575.484 4.804 40 0 KJABMM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(I)cc1 ZINC000104856295 571386950 /nfs/dbraw/zinc/38/69/50/571386950.db2.gz SDBDZKDMDPKGMF-UHFFFAOYSA-N -1 1 515.332 4.932 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000105177838 571391922 /nfs/dbraw/zinc/39/19/22/571391922.db2.gz QKRZTPUMTCKICO-MRXNPFEDSA-N -1 1 556.493 4.896 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000105177844 571391874 /nfs/dbraw/zinc/39/18/74/571391874.db2.gz QKRZTPUMTCKICO-INIZCTEOSA-N -1 1 556.493 4.896 40 0 KJABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C ZINC000105251173 571392301 /nfs/dbraw/zinc/39/23/01/571392301.db2.gz NYKDNCFSUAHPJO-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C ZINC000105251178 571392364 /nfs/dbraw/zinc/39/23/64/571392364.db2.gz NYKDNCFSUAHPJO-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)cc1Cl ZINC000105275198 571392528 /nfs/dbraw/zinc/39/25/28/571392528.db2.gz PAYTZDWDCZMYJX-UHFFFAOYSA-N -1 1 600.944 4.925 40 0 KJABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000105666002 571408140 /nfs/dbraw/zinc/40/81/40/571408140.db2.gz LCMCVNQSUHLCAJ-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000105666009 571408155 /nfs/dbraw/zinc/40/81/55/571408155.db2.gz LCMCVNQSUHLCAJ-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)cc1Cl ZINC000105681400 571408285 /nfs/dbraw/zinc/40/82/85/571408285.db2.gz FGDGHVVSDCMBPZ-UHFFFAOYSA-N -1 1 560.456 4.646 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000105830315 571409101 /nfs/dbraw/zinc/40/91/01/571409101.db2.gz BNIQROBRCMYMAY-UHFFFAOYSA-N -1 1 525.583 4.680 40 0 KJABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)cc1 ZINC000106011365 571410161 /nfs/dbraw/zinc/41/01/61/571410161.db2.gz WIEHVDHZDCBAIW-UHFFFAOYSA-N -1 1 551.646 4.573 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(F)cc2)cc1 ZINC000106012072 571410169 /nfs/dbraw/zinc/41/01/69/571410169.db2.gz JOZQKSVOSIFTDW-UHFFFAOYSA-N -1 1 583.663 4.778 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1I ZINC000106031964 571411052 /nfs/dbraw/zinc/41/10/52/571411052.db2.gz HTGYWDDJDRHFFN-UHFFFAOYSA-N -1 1 578.837 4.555 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000106199538 571411578 /nfs/dbraw/zinc/41/15/78/571411578.db2.gz WNZMJNXRTGTHRU-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000106199542 571411582 /nfs/dbraw/zinc/41/15/82/571411582.db2.gz WNZMJNXRTGTHRU-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000106399221 571412361 /nfs/dbraw/zinc/41/23/61/571412361.db2.gz PRFCNYSTTITMFU-LJQANCHMSA-N -1 1 550.102 4.859 40 0 KJABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000106399224 571412355 /nfs/dbraw/zinc/41/23/55/571412355.db2.gz PRFCNYSTTITMFU-IBGZPJMESA-N -1 1 550.102 4.859 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2C)cc1C ZINC000106406521 571412522 /nfs/dbraw/zinc/41/25/22/571412522.db2.gz AWKSKNYIFXVNTJ-UHFFFAOYSA-N -1 1 541.695 4.840 40 0 KJABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000106444302 571412647 /nfs/dbraw/zinc/41/26/47/571412647.db2.gz DZJDPFJHWPLOMQ-FQEVSTJZSA-N -1 1 537.663 4.742 40 0 KJABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000106444306 571412618 /nfs/dbraw/zinc/41/26/18/571412618.db2.gz DZJDPFJHWPLOMQ-HXUWFJFHSA-N -1 1 537.663 4.742 40 0 KJABMM O=C1S/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N1Cc1ccccc1 ZINC000106680312 571413302 /nfs/dbraw/zinc/41/33/02/571413302.db2.gz LKFSICPJJNWOEJ-AUWJEWJLSA-N -1 1 516.154 4.996 40 0 KJABMM O=C1S/C(=C\c2cc(I)cc(I)c2[O-])C(=O)N1Cc1ccccc1 ZINC000106680538 571413315 /nfs/dbraw/zinc/41/33/15/571413315.db2.gz MVYYMZRKLHFNIX-AUWJEWJLSA-N -1 1 563.154 4.838 40 0 KJABMM O=C1S/C(=C\c2cc(I)cc(I)c2[O-])C(=O)N1Cc1ccccc1F ZINC000106695118 571414115 /nfs/dbraw/zinc/41/41/15/571414115.db2.gz IZFAZOQFIVPLLN-NSIKDUERSA-N -1 1 581.144 4.977 40 0 KJABMM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000106708945 571415083 /nfs/dbraw/zinc/41/50/83/571415083.db2.gz NPKIEAVBVPDEPW-ZROIWOOFSA-N -1 1 556.232 4.991 40 0 KJABMM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000106711575 571415250 /nfs/dbraw/zinc/41/52/50/571415250.db2.gz PHAFRMCWEULABV-JYRVWZFOSA-N -1 1 542.205 4.601 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2C)c1C ZINC000107571581 571420308 /nfs/dbraw/zinc/42/03/08/571420308.db2.gz DYFLDVHWNHZFTG-UHFFFAOYSA-N -1 1 541.695 4.840 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000107578847 571420402 /nfs/dbraw/zinc/42/04/02/571420402.db2.gz ZUNIIJLOTYWIEI-UHFFFAOYSA-N -1 1 562.884 4.852 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000107615960 571420556 /nfs/dbraw/zinc/42/05/56/571420556.db2.gz NQORHBRIANYENX-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1I ZINC000107815553 571421329 /nfs/dbraw/zinc/42/13/29/571421329.db2.gz TZIRTKFCRPZBAJ-UHFFFAOYSA-N -1 1 612.389 4.920 40 0 KJABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000107859531 571421462 /nfs/dbraw/zinc/42/14/62/571421462.db2.gz YBVIFZZPQPXODD-HNNXBMFYSA-N -1 1 576.018 4.953 40 0 KJABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000107859536 571421455 /nfs/dbraw/zinc/42/14/55/571421455.db2.gz YBVIFZZPQPXODD-OAHLLOKOSA-N -1 1 576.018 4.953 40 0 KJABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000107899320 571421561 /nfs/dbraw/zinc/42/15/61/571421561.db2.gz BMGVRZNIYTYNSL-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000107899325 571421553 /nfs/dbraw/zinc/42/15/53/571421553.db2.gz BMGVRZNIYTYNSL-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1 ZINC000108135735 571422451 /nfs/dbraw/zinc/42/24/51/571422451.db2.gz PHMSPKPOUNAKSF-UHFFFAOYSA-N -1 1 551.646 4.858 40 0 KJABMM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000108217881 571422668 /nfs/dbraw/zinc/42/26/68/571422668.db2.gz MRZQFPDXIQPFTG-UHFFFAOYSA-N -1 1 604.028 4.767 40 0 KJABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 ZINC000108269083 571422899 /nfs/dbraw/zinc/42/28/99/571422899.db2.gz OITUAUQUYPOJQN-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 ZINC000108269086 571422945 /nfs/dbraw/zinc/42/29/45/571422945.db2.gz OITUAUQUYPOJQN-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccc1Cl ZINC000108341188 571423498 /nfs/dbraw/zinc/42/34/98/571423498.db2.gz CIJPPUIMRISOAD-UHFFFAOYSA-N -1 1 563.082 4.959 40 0 KJABMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(OC)c1O ZINC000108423363 1067214460 /nfs/dbraw/zinc/21/44/60/1067214460.db2.gz XHVGYFSEKVAGQG-UHFFFAOYSA-N -1 1 512.566 4.989 40 0 KJABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1C ZINC000108951030 571427857 /nfs/dbraw/zinc/42/78/57/571427857.db2.gz 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Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000140085541 571454907 /nfs/dbraw/zinc/45/49/07/571454907.db2.gz FCDKMFCHWBVXFV-UHFFFAOYSA-N -1 1 548.086 4.627 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000140114105 571455213 /nfs/dbraw/zinc/45/52/13/571455213.db2.gz KKONGKSPYGHCLO-UHFFFAOYSA-N -1 1 534.059 4.568 40 0 KJABMM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)ccc2Cl)c1 ZINC000140344164 571455493 /nfs/dbraw/zinc/45/54/93/571455493.db2.gz KPVYFXWTSZAOCI-UHFFFAOYSA-N -1 1 586.095 4.909 40 0 KJABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc1N1CCCC1=O ZINC000140345510 571455438 /nfs/dbraw/zinc/45/54/38/571455438.db2.gz VTQBWCNRYJIJQS-UHFFFAOYSA-N -1 1 553.584 4.742 40 0 KJABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000140369820 571455766 /nfs/dbraw/zinc/45/57/66/571455766.db2.gz LYVQTXRCKROUPY-UHFFFAOYSA-N -1 1 540.450 4.722 40 0 KJABMM 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734.353 4.850 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164529894 571549236 /nfs/dbraw/zinc/54/92/36/571549236.db2.gz PQHOXUSLATWPOX-WDONWYDGSA-N -1 1 764.379 4.859 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164530019 571549443 /nfs/dbraw/zinc/54/94/43/571549443.db2.gz PQHOXUSLATWPOX-GLSAMTQTSA-N -1 1 764.379 4.859 40 0 KJABMM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc([O-])c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000197908152 571566072 /nfs/dbraw/zinc/56/60/72/571566072.db2.gz VTDCTQHWBTXJAJ-LMSRTUJASA-N -1 1 545.458 4.795 40 0 KJABMM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc([O-])c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000197908159 571566050 /nfs/dbraw/zinc/56/60/50/571566050.db2.gz VTDCTQHWBTXJAJ-RISWYLRJSA-N -1 1 545.458 4.795 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000198318262 1066488077 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O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccc(I)c1 ZINC000224962412 571634298 /nfs/dbraw/zinc/63/42/98/571634298.db2.gz NLNDDEMJFRKAKU-UHFFFAOYSA-N -1 1 512.756 4.998 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cccc(I)c1 ZINC000224962881 571634362 /nfs/dbraw/zinc/63/43/62/571634362.db2.gz OREXEYRPXFVWDA-UHFFFAOYSA-N -1 1 512.756 4.998 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3I)cc2)c1 ZINC000225017728 571639324 /nfs/dbraw/zinc/63/93/24/571639324.db2.gz QRGLAXRQMHHLRS-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(I)c1 ZINC000225018895 571639432 /nfs/dbraw/zinc/63/94/32/571639432.db2.gz NADODBFUHHVFEH-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000225080943 571645225 /nfs/dbraw/zinc/64/52/25/571645225.db2.gz GUKSCJSZHIIDDT-UHFFFAOYSA-N -1 1 587.985 4.614 40 0 KJABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)cc2sc1=O ZINC000225105191 571647715 /nfs/dbraw/zinc/64/77/15/571647715.db2.gz MKFNDYNZTLLLNP-UHFFFAOYSA-N -1 1 505.687 4.622 40 0 KJABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccc(Cl)cc3)cc2sc1=O ZINC000225128728 571650114 /nfs/dbraw/zinc/65/01/14/571650114.db2.gz UOJSSSJHBJNRNS-UHFFFAOYSA-N -1 1 532.068 4.962 40 0 KJABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3Cl)cc2sc1=O ZINC000225128783 571650077 /nfs/dbraw/zinc/65/00/77/571650077.db2.gz RGVCPLIRSRSXSZ-UHFFFAOYSA-N -1 1 532.068 4.962 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1C(=O)N1CCCCC1 ZINC000225160162 571653279 /nfs/dbraw/zinc/65/32/79/571653279.db2.gz DMZHMDCURUHZOO-UHFFFAOYSA-N -1 1 505.687 4.793 40 0 KJABMM CC(C)n1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3)cc2sc1=O ZINC000225183846 571655578 /nfs/dbraw/zinc/65/55/78/571655578.db2.gz AHTKBCPEIKLCOI-UHFFFAOYSA-N -1 1 511.650 4.869 40 0 KJABMM O=C1C[C@@H](c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c2cccn2-c2cc3c(cc21)OCCO3 ZINC000225382860 571750966 /nfs/dbraw/zinc/75/09/66/571750966.db2.gz HKYIUQQQNSPMKZ-NRFANRHFSA-N -1 1 544.585 4.539 40 0 KJABMM O=C1C[C@H](c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c2cccn2-c2cc3c(cc21)OCCO3 ZINC000225382892 571750863 /nfs/dbraw/zinc/75/08/63/571750863.db2.gz HKYIUQQQNSPMKZ-OAQYLSRUSA-N -1 1 544.585 4.539 40 0 KJABMM COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc1)CC2=O ZINC000225382934 571750682 /nfs/dbraw/zinc/75/06/82/571750682.db2.gz QAQMHIKJHUJUJV-OAQYLSRUSA-N -1 1 546.601 4.785 40 0 KJABMM COc1cc2c(cc1OC)-n1cccc1[C@H](c1ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc1)CC2=O ZINC000225382967 571751564 /nfs/dbraw/zinc/75/15/64/571751564.db2.gz QAQMHIKJHUJUJV-NRFANRHFSA-N -1 1 546.601 4.785 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473362 571843606 /nfs/dbraw/zinc/84/36/06/571843606.db2.gz JCQLZGCHPNJTJV-SVBPBHIXSA-N -1 1 562.721 4.500 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473400 571843667 /nfs/dbraw/zinc/84/36/67/571843667.db2.gz JCQLZGCHPNJTJV-SXOMAYOGSA-N -1 1 562.721 4.500 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473423 571843547 /nfs/dbraw/zinc/84/35/47/571843547.db2.gz JCQLZGCHPNJTJV-RRPNLBNLSA-N -1 1 562.721 4.500 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473462 571843699 /nfs/dbraw/zinc/84/36/99/571843699.db2.gz JCQLZGCHPNJTJV-KAYWLYCHSA-N -1 1 562.721 4.500 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473505 571843594 /nfs/dbraw/zinc/84/35/94/571843594.db2.gz MHUQWXXANHDSND-SVBPBHIXSA-N -1 1 562.721 4.500 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473531 571843533 /nfs/dbraw/zinc/84/35/33/571843533.db2.gz MHUQWXXANHDSND-SXOMAYOGSA-N -1 1 562.721 4.500 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473563 571843688 /nfs/dbraw/zinc/84/36/88/571843688.db2.gz MHUQWXXANHDSND-RRPNLBNLSA-N -1 1 562.721 4.500 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473613 571843492 /nfs/dbraw/zinc/84/34/92/571843492.db2.gz MHUQWXXANHDSND-KAYWLYCHSA-N -1 1 562.721 4.500 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473666 571843615 /nfs/dbraw/zinc/84/36/15/571843615.db2.gz HKKUACUQMJIFML-GOTSBHOMSA-N -1 1 554.723 4.503 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473709 571843983 /nfs/dbraw/zinc/84/39/83/571843983.db2.gz HKKUACUQMJIFML-PKTZIBPZSA-N -1 1 554.723 4.503 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473744 571843946 /nfs/dbraw/zinc/84/39/46/571843946.db2.gz HKKUACUQMJIFML-XZOQPEGZSA-N -1 1 554.723 4.503 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1[N-]S(C)(=O)=O ZINC000225473779 571844012 /nfs/dbraw/zinc/84/40/12/571844012.db2.gz HKKUACUQMJIFML-DHIUTWEWSA-N -1 1 554.723 4.503 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)cc1[N-]S(C)(=O)=O ZINC000225474913 571844869 /nfs/dbraw/zinc/84/48/69/571844869.db2.gz PNYHAAVDAOVQDF-UIOOFZCWSA-N -1 1 551.694 4.698 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)cc1[N-]S(C)(=O)=O ZINC000225474955 571845344 /nfs/dbraw/zinc/84/53/44/571845344.db2.gz PNYHAAVDAOVQDF-FTJBHMTQSA-N -1 1 551.694 4.698 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1[N-]S(C)(=O)=O ZINC000225474996 571845436 /nfs/dbraw/zinc/84/54/36/571845436.db2.gz PNYHAAVDAOVQDF-IZZNHLLZSA-N -1 1 551.694 4.698 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1[N-]S(C)(=O)=O ZINC000225475027 571845372 /nfs/dbraw/zinc/84/53/72/571845372.db2.gz PNYHAAVDAOVQDF-CLJLJLNGSA-N -1 1 551.694 4.698 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000225475738 571845703 /nfs/dbraw/zinc/84/57/03/571845703.db2.gz YVRPSWXGOMDCEA-UIOOFZCWSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000225475775 571845837 /nfs/dbraw/zinc/84/58/37/571845837.db2.gz YVRPSWXGOMDCEA-FTJBHMTQSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000225475811 571846138 /nfs/dbraw/zinc/84/61/38/571846138.db2.gz YVRPSWXGOMDCEA-IZZNHLLZSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000225475841 571846251 /nfs/dbraw/zinc/84/62/51/571846251.db2.gz YVRPSWXGOMDCEA-CLJLJLNGSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1[N-]S(C)(=O)=O ZINC000225476992 571847231 /nfs/dbraw/zinc/84/72/31/571847231.db2.gz WCYSMNYRIBUBNL-ZEQRLZLVSA-N -1 1 511.673 4.555 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1[N-]S(C)(=O)=O ZINC000225477018 571847256 /nfs/dbraw/zinc/84/72/56/571847256.db2.gz WCYSMNYRIBUBNL-RPWUZVMVSA-N -1 1 511.673 4.555 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1[N-]S(C)(=O)=O ZINC000225477056 571847330 /nfs/dbraw/zinc/84/73/30/571847330.db2.gz WCYSMNYRIBUBNL-BJKOFHAPSA-N -1 1 511.673 4.555 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1[N-]S(C)(=O)=O ZINC000225477090 571847312 /nfs/dbraw/zinc/84/73/12/571847312.db2.gz WCYSMNYRIBUBNL-DNQXCXABSA-N -1 1 511.673 4.555 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1[N-]S(C)(=O)=O ZINC000225477920 571848019 /nfs/dbraw/zinc/84/80/19/571848019.db2.gz KYWPWGQRCCOZOP-ZEQRLZLVSA-N -1 1 513.689 4.638 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1[N-]S(C)(=O)=O ZINC000225477958 571848010 /nfs/dbraw/zinc/84/80/10/571848010.db2.gz KYWPWGQRCCOZOP-RPWUZVMVSA-N -1 1 513.689 4.638 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1[N-]S(C)(=O)=O ZINC000225477996 571848194 /nfs/dbraw/zinc/84/81/94/571848194.db2.gz KYWPWGQRCCOZOP-BJKOFHAPSA-N -1 1 513.689 4.638 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1[N-]S(C)(=O)=O ZINC000225478027 571848028 /nfs/dbraw/zinc/84/80/28/571848028.db2.gz KYWPWGQRCCOZOP-DNQXCXABSA-N -1 1 513.689 4.638 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000225485408 571856187 /nfs/dbraw/zinc/85/61/87/571856187.db2.gz STIMBZUGNMKDNZ-DQEYMECFSA-N -1 1 525.700 4.946 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000225485440 571856185 /nfs/dbraw/zinc/85/61/85/571856185.db2.gz STIMBZUGNMKDNZ-RPBOFIJWSA-N -1 1 525.700 4.946 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000225485478 571856116 /nfs/dbraw/zinc/85/61/16/571856116.db2.gz STIMBZUGNMKDNZ-LOSJGSFVSA-N -1 1 525.700 4.946 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000225485516 571856053 /nfs/dbraw/zinc/85/60/53/571856053.db2.gz STIMBZUGNMKDNZ-JWQCQUIFSA-N -1 1 525.700 4.946 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1[N-]S(C)(=O)=O ZINC000225485729 571856159 /nfs/dbraw/zinc/85/61/59/571856159.db2.gz PPBAVLNAXXNMRN-UIOOFZCWSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1[N-]S(C)(=O)=O ZINC000225485765 571856630 /nfs/dbraw/zinc/85/66/30/571856630.db2.gz PPBAVLNAXXNMRN-FTJBHMTQSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1[N-]S(C)(=O)=O ZINC000225485801 571856567 /nfs/dbraw/zinc/85/65/67/571856567.db2.gz PPBAVLNAXXNMRN-IZZNHLLZSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1[N-]S(C)(=O)=O ZINC000225485832 571856584 /nfs/dbraw/zinc/85/65/84/571856584.db2.gz PPBAVLNAXXNMRN-CLJLJLNGSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000225485879 571856454 /nfs/dbraw/zinc/85/64/54/571856454.db2.gz GPFLGPCMNKUHAF-UIOOFZCWSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000225485914 571856400 /nfs/dbraw/zinc/85/64/00/571856400.db2.gz GPFLGPCMNKUHAF-FTJBHMTQSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000225485946 571856550 /nfs/dbraw/zinc/85/65/50/571856550.db2.gz GPFLGPCMNKUHAF-IZZNHLLZSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000225485977 571856448 /nfs/dbraw/zinc/85/64/48/571856448.db2.gz GPFLGPCMNKUHAF-CLJLJLNGSA-N -1 1 533.679 4.738 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1[N-]S(C)(=O)=O ZINC000225486348 571856993 /nfs/dbraw/zinc/85/69/93/571856993.db2.gz PJLDLQCTNPTOHK-DQEYMECFSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1[N-]S(C)(=O)=O ZINC000225486379 571856922 /nfs/dbraw/zinc/85/69/22/571856922.db2.gz PJLDLQCTNPTOHK-RPBOFIJWSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1[N-]S(C)(=O)=O ZINC000225486409 571857011 /nfs/dbraw/zinc/85/70/11/571857011.db2.gz PJLDLQCTNPTOHK-LOSJGSFVSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1[N-]S(C)(=O)=O ZINC000225486445 571857071 /nfs/dbraw/zinc/85/70/71/571857071.db2.gz PJLDLQCTNPTOHK-JWQCQUIFSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1[N-]S(C)(=O)=O ZINC000225486496 571856962 /nfs/dbraw/zinc/85/69/62/571856962.db2.gz STKUFBNAQRTNNO-DQEYMECFSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1[N-]S(C)(=O)=O ZINC000225486527 571856948 /nfs/dbraw/zinc/85/69/48/571856948.db2.gz STKUFBNAQRTNNO-RPBOFIJWSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1[N-]S(C)(=O)=O ZINC000225486562 571857037 /nfs/dbraw/zinc/85/70/37/571857037.db2.gz STKUFBNAQRTNNO-LOSJGSFVSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1[N-]S(C)(=O)=O ZINC000225486594 571857550 /nfs/dbraw/zinc/85/75/50/571857550.db2.gz STKUFBNAQRTNNO-JWQCQUIFSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000225486639 571857504 /nfs/dbraw/zinc/85/75/04/571857504.db2.gz XODSKWMEHRNESF-DQEYMECFSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000225486680 571857380 /nfs/dbraw/zinc/85/73/80/571857380.db2.gz XODSKWMEHRNESF-RPBOFIJWSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000225486714 571857530 /nfs/dbraw/zinc/85/75/30/571857530.db2.gz XODSKWMEHRNESF-LOSJGSFVSA-N -1 1 537.642 4.569 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000225486748 571857337 /nfs/dbraw/zinc/85/73/37/571857337.db2.gz XODSKWMEHRNESF-JWQCQUIFSA-N -1 1 537.642 4.569 40 0 KJABMM CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225487543 571858380 /nfs/dbraw/zinc/85/83/80/571858380.db2.gz JWXSVSJBUJPOKC-KAYWLYCHSA-N -1 1 563.705 4.828 40 0 KJABMM CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225487574 571858499 /nfs/dbraw/zinc/85/84/99/571858499.db2.gz JWXSVSJBUJPOKC-SXOMAYOGSA-N -1 1 563.705 4.828 40 0 KJABMM CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225487607 571858437 /nfs/dbraw/zinc/85/84/37/571858437.db2.gz JWXSVSJBUJPOKC-RRPNLBNLSA-N -1 1 563.705 4.828 40 0 KJABMM CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225487641 571858551 /nfs/dbraw/zinc/85/85/51/571858551.db2.gz JWXSVSJBUJPOKC-SVBPBHIXSA-N -1 1 563.705 4.828 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1[N-]S(C)(=O)=O ZINC000225489360 571860023 /nfs/dbraw/zinc/86/00/23/571860023.db2.gz LKODJXCTNDMUAF-DQEYMECFSA-N -1 1 520.636 4.899 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1[N-]S(C)(=O)=O ZINC000225489393 571859965 /nfs/dbraw/zinc/85/99/65/571859965.db2.gz LKODJXCTNDMUAF-RPBOFIJWSA-N -1 1 520.636 4.899 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1[N-]S(C)(=O)=O ZINC000225489981 571859906 /nfs/dbraw/zinc/85/99/06/571859906.db2.gz LKODJXCTNDMUAF-LOSJGSFVSA-N -1 1 520.636 4.899 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1[N-]S(C)(=O)=O ZINC000225490021 571860405 /nfs/dbraw/zinc/86/04/05/571860405.db2.gz LKODJXCTNDMUAF-JWQCQUIFSA-N -1 1 520.636 4.899 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000225493357 571863511 /nfs/dbraw/zinc/86/35/11/571863511.db2.gz JPVDSEMNXVDUKZ-ZEQRLZLVSA-N -1 1 511.673 4.555 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000225493390 571863364 /nfs/dbraw/zinc/86/33/64/571863364.db2.gz JPVDSEMNXVDUKZ-RPWUZVMVSA-N -1 1 511.673 4.555 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000225493420 571863449 /nfs/dbraw/zinc/86/34/49/571863449.db2.gz JPVDSEMNXVDUKZ-BJKOFHAPSA-N -1 1 511.673 4.555 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000225493451 571863526 /nfs/dbraw/zinc/86/35/26/571863526.db2.gz JPVDSEMNXVDUKZ-DNQXCXABSA-N -1 1 511.673 4.555 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000225493508 571863490 /nfs/dbraw/zinc/86/34/90/571863490.db2.gz SEPMGBRGDBXOHZ-DQEYMECFSA-N -1 1 525.700 4.946 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000225493532 571863377 /nfs/dbraw/zinc/86/33/77/571863377.db2.gz SEPMGBRGDBXOHZ-RPBOFIJWSA-N -1 1 525.700 4.946 40 0 KJABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000225493565 571863415 /nfs/dbraw/zinc/86/34/15/571863415.db2.gz SEPMGBRGDBXOHZ-LOSJGSFVSA-N -1 1 525.700 4.946 40 0 KJABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1[N-]S(C)(=O)=O ZINC000225493600 571863556 /nfs/dbraw/zinc/86/35/56/571863556.db2.gz SEPMGBRGDBXOHZ-JWQCQUIFSA-N -1 1 525.700 4.946 40 0 KJABMM COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)cc1 ZINC000225495577 571865173 /nfs/dbraw/zinc/86/51/73/571865173.db2.gz YJDYSTWXKBWUFY-CLJLJLNGSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)cc1 ZINC000225495615 571865449 /nfs/dbraw/zinc/86/54/49/571865449.db2.gz YJDYSTWXKBWUFY-FTJBHMTQSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)cc1 ZINC000225495642 571865469 /nfs/dbraw/zinc/86/54/69/571865469.db2.gz YJDYSTWXKBWUFY-IZZNHLLZSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)cc1 ZINC000225495672 571865404 /nfs/dbraw/zinc/86/54/04/571865404.db2.gz YJDYSTWXKBWUFY-UIOOFZCWSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)c1 ZINC000225495721 571865230 /nfs/dbraw/zinc/86/52/30/571865230.db2.gz UQAZWDQHQUWZON-CLJLJLNGSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)c1 ZINC000225495753 571865377 /nfs/dbraw/zinc/86/53/77/571865377.db2.gz UQAZWDQHQUWZON-FTJBHMTQSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)c1 ZINC000225495782 571865360 /nfs/dbraw/zinc/86/53/60/571865360.db2.gz UQAZWDQHQUWZON-IZZNHLLZSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)o2)c1 ZINC000225495815 571865722 /nfs/dbraw/zinc/86/57/22/571865722.db2.gz UQAZWDQHQUWZON-UIOOFZCWSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)o1 ZINC000225495875 571865805 /nfs/dbraw/zinc/86/58/05/571865805.db2.gz RESWEAGJSZTTBG-CLJLJLNGSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)o1 ZINC000225495908 571865662 /nfs/dbraw/zinc/86/56/62/571865662.db2.gz RESWEAGJSZTTBG-FTJBHMTQSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)o1 ZINC000225495939 571865698 /nfs/dbraw/zinc/86/56/98/571865698.db2.gz RESWEAGJSZTTBG-IZZNHLLZSA-N -1 1 578.672 4.685 40 0 KJABMM COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)o1 ZINC000225495975 571865782 /nfs/dbraw/zinc/86/57/82/571865782.db2.gz RESWEAGJSZTTBG-UIOOFZCWSA-N -1 1 578.672 4.685 40 0 KJABMM COc1ccc(-c2nnc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)s2)cc1 ZINC000225668269 572010252 /nfs/dbraw/zinc/01/02/52/572010252.db2.gz NLTKQNRBBHYAGB-UHFFFAOYSA-N -1 1 500.989 4.920 40 0 KJABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2n1Cc1ccccc1 ZINC000225739247 572056184 /nfs/dbraw/zinc/05/61/84/572056184.db2.gz RXUPZCODQJSQCS-UHFFFAOYSA-N -1 1 522.389 4.517 40 0 KJABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)ccc1Cl ZINC000225747047 572059588 /nfs/dbraw/zinc/05/95/88/572059588.db2.gz SELFRFFQURXXOQ-UHFFFAOYSA-N -1 1 503.001 4.742 40 0 KJABMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1)N1CCCCC1 ZINC000225751862 572061166 /nfs/dbraw/zinc/06/11/66/572061166.db2.gz DXLDASNRPVHWBL-UHFFFAOYSA-N -1 1 507.637 4.538 40 0 KJABMM COc1ccc(-c2nnc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)s2)cc1 ZINC000225775095 572066223 /nfs/dbraw/zinc/06/62/23/572066223.db2.gz NTEOWIBFRKUBLG-UHFFFAOYSA-N -1 1 500.989 4.920 40 0 KJABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225783035 572067716 /nfs/dbraw/zinc/06/77/16/572067716.db2.gz KFAUCLOAGYUWGN-UHFFFAOYSA-N -1 1 503.001 4.742 40 0 KJABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225785177 572067413 /nfs/dbraw/zinc/06/74/13/572067413.db2.gz IVHYOCPKJWPVHB-UHFFFAOYSA-N -1 1 578.137 4.740 40 0 KJABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1 ZINC000225785599 572068247 /nfs/dbraw/zinc/06/82/47/572068247.db2.gz IYLKHTPFVOJLIT-UHFFFAOYSA-N -1 1 503.001 4.661 40 0 KJABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1C ZINC000225787048 572068273 /nfs/dbraw/zinc/06/82/73/572068273.db2.gz DIPQYPNWOFVXBT-UHFFFAOYSA-N -1 1 503.001 4.661 40 0 KJABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225787871 572068135 /nfs/dbraw/zinc/06/81/35/572068135.db2.gz GFFDWNTZUGDPIK-UHFFFAOYSA-N -1 1 566.126 4.596 40 0 KJABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1 ZINC000225788648 572068435 /nfs/dbraw/zinc/06/84/35/572068435.db2.gz URNULZWLAYLETQ-UHFFFAOYSA-N -1 1 503.001 4.742 40 0 KJABMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225789922 572068617 /nfs/dbraw/zinc/06/86/17/572068617.db2.gz VJIPMBGLWWKFRE-UHFFFAOYSA-N -1 1 514.028 4.692 40 0 KJABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000225791302 572069034 /nfs/dbraw/zinc/06/90/34/572069034.db2.gz OCXDIVUMFWZRJH-UHFFFAOYSA-N -1 1 608.163 4.749 40 0 KJABMM 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/nfs/dbraw/zinc/22/19/26/572221926.db2.gz CSALUEUOBRXCDI-MRXNPFEDSA-N -1 1 556.493 4.896 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408546210 572221993 /nfs/dbraw/zinc/22/19/93/572221993.db2.gz CUFALAANBUYPEO-UHFFFAOYSA-N -1 1 539.610 4.988 40 0 KJABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000408546396 572222622 /nfs/dbraw/zinc/22/26/22/572222622.db2.gz RZUNVUXACJWODG-IBGZPJMESA-N -1 1 550.102 4.859 40 0 KJABMM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000408546397 572222775 /nfs/dbraw/zinc/22/27/75/572222775.db2.gz RZUNVUXACJWODG-LJQANCHMSA-N -1 1 550.102 4.859 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)c1 ZINC000408546589 572223644 /nfs/dbraw/zinc/22/36/44/572223644.db2.gz FMQZEAOETKWFPV-UHFFFAOYSA-N -1 1 556.493 4.816 40 0 KJABMM Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)ccc1Br ZINC000408546753 572223642 /nfs/dbraw/zinc/22/36/42/572223642.db2.gz UZUVWXHBSMWWOJ-UHFFFAOYSA-N -1 1 586.917 4.616 40 0 KJABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000408546754 572223626 /nfs/dbraw/zinc/22/36/26/572223626.db2.gz VAWAKFJQGODQFY-INIZCTEOSA-N -1 1 556.493 4.896 40 0 KJABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000408546755 572223672 /nfs/dbraw/zinc/22/36/72/572223672.db2.gz VAWAKFJQGODQFY-MRXNPFEDSA-N -1 1 556.493 4.896 40 0 KJABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000408546811 572224159 /nfs/dbraw/zinc/22/41/59/572224159.db2.gz WEURIHUIVZGCKJ-UHFFFAOYSA-N -1 1 581.672 4.866 40 0 KJABMM Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)ccc1Br ZINC000408547371 572225862 /nfs/dbraw/zinc/22/58/62/572225862.db2.gz IXWDEOGGHFBCMW-UHFFFAOYSA-N -1 1 620.469 4.982 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000408547519 572225599 /nfs/dbraw/zinc/22/55/99/572225599.db2.gz ZDBRGKTZGYTGIV-UHFFFAOYSA-N -1 1 553.637 4.769 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl ZINC000408547573 572226264 /nfs/dbraw/zinc/22/62/64/572226264.db2.gz ZWMIAFVVGHVUEL-UHFFFAOYSA-N -1 1 562.884 4.852 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1I ZINC000408547669 572226694 /nfs/dbraw/zinc/22/66/94/572226694.db2.gz LCLIDBSXYBPWBG-UHFFFAOYSA-N -1 1 592.864 4.863 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1Cl ZINC000408548124 572227683 /nfs/dbraw/zinc/22/76/83/572227683.db2.gz PNAUCXRMONTDAL-UHFFFAOYSA-N -1 1 501.413 4.912 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2C)cc1 ZINC000408548127 572227811 /nfs/dbraw/zinc/22/78/11/572227811.db2.gz POIRWAIDMXITLT-UHFFFAOYSA-N -1 1 503.580 4.880 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408549050 572231071 /nfs/dbraw/zinc/23/10/71/572231071.db2.gz WDOHGLIRCZRBAY-UHFFFAOYSA-N -1 1 553.637 4.769 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)c1 ZINC000408549055 572230920 /nfs/dbraw/zinc/23/09/20/572230920.db2.gz WDYIPECTPNXFHH-UHFFFAOYSA-N -1 1 579.700 4.780 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408549094 572230851 /nfs/dbraw/zinc/23/08/51/572230851.db2.gz WUNVPIWAYYHLHQ-UHFFFAOYSA-N -1 1 507.593 4.541 40 0 KJABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1C ZINC000408549401 572231935 /nfs/dbraw/zinc/23/19/35/572231935.db2.gz YYMBBOLYCSCYDN-IBGZPJMESA-N -1 1 550.102 4.859 40 0 KJABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1C ZINC000408549402 572232118 /nfs/dbraw/zinc/23/21/18/572232118.db2.gz YYMBBOLYCSCYDN-LJQANCHMSA-N -1 1 550.102 4.859 40 0 KJABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)cc1 ZINC000408549518 572231993 /nfs/dbraw/zinc/23/19/93/572231993.db2.gz ZHGWGZNIZDKULQ-UHFFFAOYSA-N -1 1 551.646 4.939 40 0 KJABMM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408549524 572232024 /nfs/dbraw/zinc/23/20/24/572232024.db2.gz ZKHNFIZJBZFTTG-GOSISDBHSA-N -1 1 569.627 4.916 40 0 KJABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408549525 572232197 /nfs/dbraw/zinc/23/21/97/572232197.db2.gz ZKHNFIZJBZFTTG-SFHVURJKSA-N -1 1 569.627 4.916 40 0 KJABMM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408550228 572233496 /nfs/dbraw/zinc/23/34/96/572233496.db2.gz BSFXEGXFSVJWAH-UHFFFAOYSA-N -1 1 509.367 4.598 40 0 KJABMM COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408551384 572236217 /nfs/dbraw/zinc/23/62/17/572236217.db2.gz HNQRRXJPBHEHOZ-UHFFFAOYSA-N -1 1 509.367 4.598 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCN(c2ccccc2)CC1 ZINC000408553779 572241274 /nfs/dbraw/zinc/24/12/74/572241274.db2.gz BEANYTHEFSIIPO-UHFFFAOYSA-N -1 1 520.438 4.522 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408554090 572241502 /nfs/dbraw/zinc/24/15/02/572241502.db2.gz BMVNEQLYGSRJBB-UHFFFAOYSA-N -1 1 522.364 4.661 40 0 KJABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000408554680 572242098 /nfs/dbraw/zinc/24/20/98/572242098.db2.gz DGIJZASSTLYTDJ-UHFFFAOYSA-N -1 1 509.367 4.842 40 0 KJABMM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408554751 572242153 /nfs/dbraw/zinc/24/21/53/572242153.db2.gz UEPHNEYZSMBLOT-UHFFFAOYSA-N -1 1 523.394 4.988 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000408554784 572242297 /nfs/dbraw/zinc/24/22/97/572242297.db2.gz DHPRATBVERXPIX-UHFFFAOYSA-N -1 1 538.428 4.661 40 0 KJABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c(OC)c1 ZINC000408555465 572243075 /nfs/dbraw/zinc/24/30/75/572243075.db2.gz GADNLHGONVMQLE-UHFFFAOYSA-N -1 1 511.383 4.829 40 0 KJABMM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408555597 572243093 /nfs/dbraw/zinc/24/30/93/572243093.db2.gz BECUKWBRFQAXGW-UHFFFAOYSA-N -1 1 509.411 4.541 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCN(c2ccccc2)CC1 ZINC000408555617 572243023 /nfs/dbraw/zinc/24/30/23/572243023.db2.gz BFQXAWSDDZRNHP-UHFFFAOYSA-N -1 1 520.438 4.522 40 0 KJABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000408555777 572243246 /nfs/dbraw/zinc/24/32/46/572243246.db2.gz GGJOYDDBMJYBEH-UHFFFAOYSA-N -1 1 502.976 4.969 40 0 KJABMM CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408556096 572243541 /nfs/dbraw/zinc/24/35/41/572243541.db2.gz ZMAPXODMCKWGIH-UHFFFAOYSA-N -1 1 508.383 4.770 40 0 KJABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000408556260 572243788 /nfs/dbraw/zinc/24/37/88/572243788.db2.gz HHMNGHHBNPPVHT-UHFFFAOYSA-N -1 1 502.976 4.969 40 0 KJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccccc1F ZINC000408556298 572243748 /nfs/dbraw/zinc/24/37/48/572243748.db2.gz HMTVDGUKWWJSEO-UHFFFAOYSA-N -1 1 540.354 4.882 40 0 KJABMM COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000408556497 572244007 /nfs/dbraw/zinc/24/40/07/572244007.db2.gz DDQGZQPADPFPLK-UHFFFAOYSA-N -1 1 511.383 4.829 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000408556973 572244469 /nfs/dbraw/zinc/24/44/69/572244469.db2.gz LHOFTUHUWDNFLI-UHFFFAOYSA-N -1 1 538.428 4.661 40 0 KJABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccccc1 ZINC000408557159 572244609 /nfs/dbraw/zinc/24/46/09/572244609.db2.gz LPWPDKFVBPEBMY-UHFFFAOYSA-N -1 1 522.364 4.743 40 0 KJABMM COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000408557430 572244871 /nfs/dbraw/zinc/24/48/71/572244871.db2.gz NJSRGDAHKZJSHM-UHFFFAOYSA-N -1 1 511.383 4.829 40 0 KJABMM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1OC ZINC000408557747 572245125 /nfs/dbraw/zinc/24/51/25/572245125.db2.gz OQOZMOSURPJXKR-UHFFFAOYSA-N -1 1 539.437 4.549 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccccc1C ZINC000408557914 572245368 /nfs/dbraw/zinc/24/53/68/572245368.db2.gz OSQVSZDYHAKCAO-UHFFFAOYSA-N -1 1 522.364 4.661 40 0 KJABMM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OC ZINC000408558249 572245529 /nfs/dbraw/zinc/24/55/29/572245529.db2.gz IVMXJVHBXIWSPN-UHFFFAOYSA-N -1 1 539.437 4.549 40 0 KJABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1OC ZINC000408558451 572245783 /nfs/dbraw/zinc/24/57/83/572245783.db2.gz RGTBKTXFZMHNPZ-UHFFFAOYSA-N -1 1 511.383 4.829 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000408558459 572245835 /nfs/dbraw/zinc/24/58/35/572245835.db2.gz RINRDBZJPKWPIB-UHFFFAOYSA-N -1 1 509.367 4.583 40 0 KJABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(OC)c1 ZINC000408558494 572245890 /nfs/dbraw/zinc/24/58/90/572245890.db2.gz JKFFDMQJHRJZOA-UHFFFAOYSA-N -1 1 511.383 4.829 40 0 KJABMM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408560261 572247141 /nfs/dbraw/zinc/24/71/41/572247141.db2.gz YFBDLPFUFMVLLS-UHFFFAOYSA-N -1 1 509.411 4.541 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000408560343 572247525 /nfs/dbraw/zinc/24/75/25/572247525.db2.gz OPSSSFYRGWAWRB-UHFFFAOYSA-N -1 1 538.428 4.661 40 0 KJABMM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000408560609 572247837 /nfs/dbraw/zinc/24/78/37/572247837.db2.gz ZYNYGSPIHNXOCQ-UHFFFAOYSA-N -1 1 550.464 4.530 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000408560693 572247686 /nfs/dbraw/zinc/24/76/86/572247686.db2.gz PJGNQDSWOIHVEH-UHFFFAOYSA-N -1 1 509.367 4.583 40 0 KJABMM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000408560762 572247841 /nfs/dbraw/zinc/24/78/41/572247841.db2.gz PWNFFWFDWVJXNY-UHFFFAOYSA-N -1 1 550.464 4.530 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000408561496 572248190 /nfs/dbraw/zinc/24/81/90/572248190.db2.gz TYLGTIBIVHIICL-UHFFFAOYSA-N -1 1 538.428 4.661 40 0 KJABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OC ZINC000408561676 572248448 /nfs/dbraw/zinc/24/84/48/572248448.db2.gz VAIKZQIEYLTVFM-UHFFFAOYSA-N -1 1 511.383 4.829 40 0 KJABMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc(OC)c1OC ZINC000408574625 572259887 /nfs/dbraw/zinc/25/98/87/572259887.db2.gz JHFASNDMFDJRJS-UHFFFAOYSA-N -1 1 521.389 4.528 40 0 KJABMM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc(OC)c1OC ZINC000408575619 572260581 /nfs/dbraw/zinc/26/05/81/572260581.db2.gz NQBBLRIOGUFABA-UHFFFAOYSA-N -1 1 510.490 4.784 40 0 KJABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408581955 572264634 /nfs/dbraw/zinc/26/46/34/572264634.db2.gz BECGACIEWBBLBQ-UHFFFAOYSA-N -1 1 500.548 4.844 40 0 KJABMM CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000408582948 572265128 /nfs/dbraw/zinc/26/51/28/572265128.db2.gz GJOSRQCRXDUUFK-UHFFFAOYSA-N -1 1 508.383 4.770 40 0 KJABMM CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000408585512 572266135 /nfs/dbraw/zinc/26/61/35/572266135.db2.gz YUZCHWSTXUVCSN-UHFFFAOYSA-N -1 1 508.383 4.770 40 0 KJABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc(C(=O)OC)c1 ZINC000408586552 572266262 /nfs/dbraw/zinc/26/62/62/572266262.db2.gz OZQBNFGPXTZHQZ-UHFFFAOYSA-N -1 1 567.403 4.628 40 0 KJABMM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408586868 572266304 /nfs/dbraw/zinc/26/63/04/572266304.db2.gz COLRGOORYOCOTL-UHFFFAOYSA-N -1 1 542.919 4.964 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)Nc1ccc(I)cc1 ZINC000408587487 572266553 /nfs/dbraw/zinc/26/65/53/572266553.db2.gz CWAVAMGYBLTASN-UHFFFAOYSA-N -1 1 542.782 4.763 40 0 KJABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408587708 572266577 /nfs/dbraw/zinc/26/65/77/572266577.db2.gz BXZOVQXZHJTMCD-UHFFFAOYSA-N -1 1 569.419 4.616 40 0 KJABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 ZINC000408588336 572266921 /nfs/dbraw/zinc/26/69/21/572266921.db2.gz FQBKNYSHQDTXHH-UHFFFAOYSA-N -1 1 502.592 4.781 40 0 KJABMM COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408589500 572267318 /nfs/dbraw/zinc/26/73/18/572267318.db2.gz IATGBKLMOLIQAQ-UHFFFAOYSA-N -1 1 542.919 4.964 40 0 KJABMM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc(C(=O)OC)c1 ZINC000408589949 572267435 /nfs/dbraw/zinc/26/74/35/572267435.db2.gz IJASAIPIZHUGDS-UHFFFAOYSA-N -1 1 600.955 4.750 40 0 KJABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408592204 572268428 /nfs/dbraw/zinc/26/84/28/572268428.db2.gz KOPBKNYIKFFBII-UHFFFAOYSA-N -1 1 569.419 4.616 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NCCc1ccccc1 ZINC000408595122 572270235 /nfs/dbraw/zinc/27/02/35/572270235.db2.gz TXVAHROGADDOTC-UHFFFAOYSA-N -1 1 512.937 4.897 40 0 KJABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408596730 572271170 /nfs/dbraw/zinc/27/11/70/572271170.db2.gz XSEHTEZDEPKQIS-IBGZPJMESA-N -1 1 502.633 4.661 40 0 KJABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408596733 572271140 /nfs/dbraw/zinc/27/11/40/572271140.db2.gz XSEHTEZDEPKQIS-LJQANCHMSA-N -1 1 502.633 4.661 40 0 KJABMM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)CC1 ZINC000408600615 572272573 /nfs/dbraw/zinc/27/25/73/572272573.db2.gz BFKJLOJHEQUOMX-UHFFFAOYSA-N -1 1 534.465 4.830 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)NCc1ccc2c(c1)OCO2 ZINC000408600819 572272679 /nfs/dbraw/zinc/27/26/79/572272679.db2.gz CPSMQJGWKMWMKV-UHFFFAOYSA-N -1 1 542.919 4.584 40 0 KJABMM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)c(OC)cc1Cl ZINC000408601377 572272808 /nfs/dbraw/zinc/27/28/08/572272808.db2.gz GEBHEFJHSXEBMV-UHFFFAOYSA-N -1 1 511.383 4.829 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000408602049 572273166 /nfs/dbraw/zinc/27/31/66/572273166.db2.gz HNIAKGGKDUUAMP-UHFFFAOYSA-N -1 1 553.990 4.887 40 0 KJABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1OC ZINC000408602150 572273124 /nfs/dbraw/zinc/27/31/24/572273124.db2.gz CMBGNPRUUBCOMW-UHFFFAOYSA-N -1 1 559.644 4.729 40 0 KJABMM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)CC1 ZINC000408602194 572273114 /nfs/dbraw/zinc/27/31/14/572273114.db2.gz IHAMOSFHDOIANN-UHFFFAOYSA-N -1 1 584.016 4.896 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)c1 ZINC000408602250 572273232 /nfs/dbraw/zinc/27/32/32/572273232.db2.gz CVGAONAMXIFSRV-UHFFFAOYSA-N -1 1 528.634 4.990 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000408602706 572273432 /nfs/dbraw/zinc/27/34/32/572273432.db2.gz IUIQCZRZUWNWII-UHFFFAOYSA-N -1 1 542.919 4.948 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408602816 572273376 /nfs/dbraw/zinc/27/33/76/572273376.db2.gz JAZGZDRQOHKPRU-UHFFFAOYSA-N -1 1 612.026 4.612 40 0 KJABMM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408602820 572273442 /nfs/dbraw/zinc/27/34/42/572273442.db2.gz JCHFYHSGAKNPRL-UHFFFAOYSA-N -1 1 542.963 4.906 40 0 KJABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c1)CN(C)CC2 ZINC000408602857 572273321 /nfs/dbraw/zinc/27/33/21/572273321.db2.gz CYAZKSNQVIGVGM-UHFFFAOYSA-N -1 1 527.668 4.501 40 0 KJABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408604985 572274295 /nfs/dbraw/zinc/27/42/95/572274295.db2.gz MIOMSEHDRKIVBQ-UHFFFAOYSA-N -1 1 602.971 4.981 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000408605167 572274275 /nfs/dbraw/zinc/27/42/75/572274275.db2.gz MUBXWTBRJQNPRU-UHFFFAOYSA-N -1 1 528.892 4.906 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2C)c1 ZINC000408605542 572274517 /nfs/dbraw/zinc/27/45/17/572274517.db2.gz JGBTWKUDBUWIQZ-JOCHJYFZSA-N -1 1 521.639 4.574 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2C)c1 ZINC000408605544 572274539 /nfs/dbraw/zinc/27/45/39/572274539.db2.gz JGBTWKUDBUWIQZ-QFIPXVFZSA-N -1 1 521.639 4.574 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)c1C ZINC000408605798 572274589 /nfs/dbraw/zinc/27/45/89/572274589.db2.gz KBJPQOCTCUWPGT-UHFFFAOYSA-N -1 1 528.634 4.990 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408606267 572274795 /nfs/dbraw/zinc/27/47/95/572274795.db2.gz OLDZGJTXBZOGRY-UHFFFAOYSA-N -1 1 520.438 4.522 40 0 KJABMM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1OC ZINC000408606380 572274880 /nfs/dbraw/zinc/27/48/80/572274880.db2.gz PCIBWPYFMXETOJ-UHFFFAOYSA-N -1 1 572.989 4.915 40 0 KJABMM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408611443 572276544 /nfs/dbraw/zinc/27/65/44/572276544.db2.gz WZVVOENCFHMXSR-UHFFFAOYSA-N -1 1 528.936 4.863 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408611463 572276578 /nfs/dbraw/zinc/27/65/78/572276578.db2.gz XAVNMMSDDFWXTC-UHFFFAOYSA-N -1 1 553.990 4.887 40 0 KJABMM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408612093 572276806 /nfs/dbraw/zinc/27/68/06/572276806.db2.gz YHVRMMGIRSBURA-UHFFFAOYSA-N -1 1 528.936 4.863 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1C ZINC000408612099 572276746 /nfs/dbraw/zinc/27/67/46/572276746.db2.gz UFXQARMJAOYWSI-UHFFFAOYSA-N -1 1 514.607 4.682 40 0 KJABMM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c1)CN(C)CC2 ZINC000408613981 572277669 /nfs/dbraw/zinc/27/76/69/572277669.db2.gz ZLAUOAWNFCILAC-UHFFFAOYSA-N -1 1 527.668 4.501 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)c1 ZINC000408615448 572278190 /nfs/dbraw/zinc/27/81/90/572278190.db2.gz AFKOHTQTEIQDMH-UHFFFAOYSA-N -1 1 514.607 4.682 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2C)cc1C ZINC000408616668 572278928 /nfs/dbraw/zinc/27/89/28/572278928.db2.gz ZTPSFGRCGFOWGA-HSZRJFAPSA-N -1 1 521.639 4.574 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2C)cc1C ZINC000408616672 572278991 /nfs/dbraw/zinc/27/89/91/572278991.db2.gz ZTPSFGRCGFOWGA-QHCPKHFHSA-N -1 1 521.639 4.574 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2C)cc1C ZINC000408617277 572279464 /nfs/dbraw/zinc/27/94/64/572279464.db2.gz FUQCXAGTBLZVQT-JXMROGBWSA-N -1 1 503.668 4.884 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2C)c1C ZINC000408617432 572279555 /nfs/dbraw/zinc/27/95/55/572279555.db2.gz GLWMUCNTSPGNER-JOCHJYFZSA-N -1 1 521.639 4.574 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2C)c1C ZINC000408617435 572279541 /nfs/dbraw/zinc/27/95/41/572279541.db2.gz GLWMUCNTSPGNER-QFIPXVFZSA-N -1 1 521.639 4.574 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)cc1 ZINC000408619157 572280466 /nfs/dbraw/zinc/28/04/66/572280466.db2.gz MPNGQVGRNMQPDS-UHFFFAOYSA-N -1 1 514.607 4.682 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)cc1C ZINC000408623038 572282472 /nfs/dbraw/zinc/28/24/72/572282472.db2.gz CMNPGRHJXJOJPD-UHFFFAOYSA-N -1 1 528.634 4.990 40 0 KJABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc(C(=O)OC)c1 ZINC000408626218 572283831 /nfs/dbraw/zinc/28/38/31/572283831.db2.gz VAZKXFCQSPQRSM-UHFFFAOYSA-N -1 1 550.511 4.640 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2C)c(C)c1 ZINC000408626417 572284013 /nfs/dbraw/zinc/28/40/13/572284013.db2.gz XCMDBBJDJNSKBG-JOCHJYFZSA-N -1 1 521.639 4.574 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2C)c(C)c1 ZINC000408626420 572283957 /nfs/dbraw/zinc/28/39/57/572283957.db2.gz XCMDBBJDJNSKBG-QFIPXVFZSA-N -1 1 521.639 4.574 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2C)c(C)c1 ZINC000408627895 572284693 /nfs/dbraw/zinc/28/46/93/572284693.db2.gz RCOUMHZCBWQKKZ-UHFFFAOYSA-N -1 1 528.634 4.990 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 ZINC000408628463 572284768 /nfs/dbraw/zinc/28/47/68/572284768.db2.gz XTRCSRNETYTYCR-UHFFFAOYSA-N -1 1 503.546 4.777 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2C)c1C ZINC000408629691 572285222 /nfs/dbraw/zinc/28/52/22/572285222.db2.gz GHHQFGNHFORVQF-XYOKQWHBSA-N -1 1 503.668 4.884 40 0 KJABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)[O-])n1 ZINC000408630502 572286158 /nfs/dbraw/zinc/28/61/58/572286158.db2.gz AQKVLAZACHWPDF-YBEGLDIGSA-N -1 1 541.811 4.544 40 0 KJABMM Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408630598 572286319 /nfs/dbraw/zinc/28/63/19/572286319.db2.gz VMNPLXSWRYQZIT-UHFFFAOYSA-N -1 1 503.546 4.777 40 0 KJABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc(Br)c1OC ZINC000408630719 572286402 /nfs/dbraw/zinc/28/64/02/572286402.db2.gz ANKONHAHYSAQRN-LSCVHKIXSA-N -1 1 536.404 4.877 40 0 KJABMM CCOC(=O)Cn1cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])c2ccccc21 ZINC000408630744 572286645 /nfs/dbraw/zinc/28/66/45/572286645.db2.gz CIYFEPNGGRKMLP-JMIUGGIZSA-N -1 1 512.975 4.869 40 0 KJABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(Br)c(O)c(OC)c2)C(=O)[O-])n1 ZINC000408630750 572286625 /nfs/dbraw/zinc/28/66/25/572286625.db2.gz CKTPMAGOJTXANK-CHHVJCJISA-N -1 1 512.769 4.828 40 0 KJABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OC)c(I)c3)C(=O)[O-])n2)c1 ZINC000408630788 572286566 /nfs/dbraw/zinc/28/65/66/572286566.db2.gz BDOCPQYMBAPABU-SOFYXZRVSA-N -1 1 665.247 4.925 40 0 KJABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc(I)c2)C(=O)[O-])n1 ZINC000408630840 572286723 /nfs/dbraw/zinc/28/67/23/572286723.db2.gz DCHSLAPMVITGKD-NVNXTCNLSA-N -1 1 513.744 4.956 40 0 KJABMM CCOC(=O)COc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1OCC ZINC000408631120 572287093 /nfs/dbraw/zinc/28/70/93/572287093.db2.gz FCMUTPBSVLCJCT-JAIQZWGSSA-N -1 1 533.990 4.692 40 0 KJABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(O)c(OC)c2)C(=O)[O-])n1 ZINC000408631168 572287161 /nfs/dbraw/zinc/28/71/61/572287161.db2.gz FPHQKDPMBYZGAL-CHHVJCJISA-N -1 1 559.769 4.670 40 0 KJABMM CCOc1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1Br ZINC000408631277 572287292 /nfs/dbraw/zinc/28/72/92/572287292.db2.gz CYMKCUURBIMCPW-LSCVHKIXSA-N -1 1 506.378 4.868 40 0 KJABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc3c(cc2Br)OCO3)C(=O)[O-])n1 ZINC000408631519 572287538 /nfs/dbraw/zinc/28/75/38/572287538.db2.gz JYNBXVCUCGSSNO-BNCCVWRVSA-N -1 1 510.753 4.843 40 0 KJABMM COc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1I ZINC000408631583 572287778 /nfs/dbraw/zinc/28/77/78/572287778.db2.gz KMEZTMLGNOXIJQ-PXNMLYILSA-N -1 1 543.770 4.965 40 0 KJABMM O=C([O-])/C(=C/c1cc(I)c(O)c(I)c1)Sc1nc2ccccc2[nH]1 ZINC000408631671 572287924 /nfs/dbraw/zinc/28/79/24/572287924.db2.gz AHEXEIHRTSNTFO-QPEQYQDCSA-N -1 1 564.142 4.696 40 0 KJABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(Br)o3)C(=O)[O-])n2)c1 ZINC000408632117 572288313 /nfs/dbraw/zinc/28/83/13/572288313.db2.gz HKZRHTIHMKGQNI-QPEQYQDCSA-N -1 1 531.182 4.825 40 0 KJABMM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Br)c(O)c(I)c3)C(=O)[O-])n[nH]2)c1 ZINC000408632280 572288618 /nfs/dbraw/zinc/28/86/18/572288618.db2.gz IHRVFMLPURRICQ-WCSRMQSCSA-N -1 1 604.220 4.779 40 0 KJABMM COC(=O)c1cccc(-c2ccc(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])o2)c1 ZINC000408632413 572288675 /nfs/dbraw/zinc/28/86/75/572288675.db2.gz IQMUXMRTDAZHGK-BKUYFWCQSA-N -1 1 507.524 4.753 40 0 KJABMM CCOC(=O)Cn1c(C)c(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])c2ccccc21 ZINC000408632478 572288911 /nfs/dbraw/zinc/28/89/11/572288911.db2.gz JDGQYDYUXXAHMN-XKZIYDEJSA-N -1 1 522.583 4.533 40 0 KJABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(I)o2)C(=O)[O-])n1 ZINC000408632556 572288975 /nfs/dbraw/zinc/28/89/75/572288975.db2.gz RHIWXPZLMFYCTF-GHXNOFRVSA-N -1 1 503.705 4.549 40 0 KJABMM CCOC(=O)COc1c(I)cc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1OC ZINC000408632601 572288965 /nfs/dbraw/zinc/28/89/65/572288965.db2.gz RTGFVAFKVSQYHB-NVMNQCDNSA-N -1 1 645.859 4.907 40 0 KJABMM O=C([O-])/C(=C/c1cc(Br)c(O)c(I)c1)Sc1nc2ccccc2[nH]1 ZINC000408632639 572289199 /nfs/dbraw/zinc/28/91/99/572289199.db2.gz GGJDJRCKYFKWFF-QPEQYQDCSA-N -1 1 517.142 4.853 40 0 KJABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(I)c(OC)c(OC)c2)C(=O)[O-])n1 ZINC000408632786 572289305 /nfs/dbraw/zinc/28/93/05/572289305.db2.gz SOCKEQRWJFXYAO-PXNMLYILSA-N -1 1 573.796 4.973 40 0 KJABMM CCOC(=O)COc1ccc2ccccc2c1C=C(Sc1nc(-c2cc(OC)cc(OC)c2)n[nH]1)C(=O)[O-] ZINC000408632866 572289455 /nfs/dbraw/zinc/28/94/55/572289455.db2.gz KTWKTFQCVMICHL-UCQKPKSFSA-N -1 1 535.578 4.802 40 0 KJABMM CCOC(=O)COc1c(I)cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1OC ZINC000408632999 572289587 /nfs/dbraw/zinc/28/95/87/572289587.db2.gz ISLHCNYSMUZWLL-YVLHZVERSA-N -1 1 615.833 4.898 40 0 KJABMM COc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc(I)c1OC ZINC000408633009 572289534 /nfs/dbraw/zinc/28/95/34/572289534.db2.gz 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ZINC000408634943 572292097 /nfs/dbraw/zinc/29/20/97/572292097.db2.gz YEPWIPRGJFVXBX-WCSRMQSCSA-N -1 1 651.220 4.622 40 0 KJABMM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(I)c(O)c(I)c3)C(=O)[O-])o2)c1 ZINC000408635090 572292221 /nfs/dbraw/zinc/29/22/21/572292221.db2.gz YRMAIGMFUGYXJU-WCSRMQSCSA-N -1 1 652.204 4.886 40 0 KJABMM COC(=O)c1ccc(-c2ccc(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])o2)cc1 ZINC000408635121 572292228 /nfs/dbraw/zinc/29/22/28/572292228.db2.gz YZZJNHUNJNDZIN-BKUYFWCQSA-N -1 1 507.524 4.753 40 0 KJABMM COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Cl)cc(Br)c3O)C(=O)[O-])n[nH]2)c1 ZINC000408635137 572292181 /nfs/dbraw/zinc/29/21/81/572292181.db2.gz ZFWGMCYECDJZJW-UUASQNMZSA-N -1 1 512.769 4.828 40 0 KJABMM O=C([O-])C(=Cc1cc(Br)c(N2CCOCC2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408635219 572292335 /nfs/dbraw/zinc/29/23/35/572292335.db2.gz YKLMQBXIXNJENM-GDNBJRDFSA-N -1 1 511.785 4.535 40 0 KJABMM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1OC ZINC000408635497 572292570 /nfs/dbraw/zinc/29/25/70/572292570.db2.gz CHWRNKPRFSLYKL-UHFFFAOYSA-N -1 1 511.383 4.829 40 0 KJABMM CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)c1 ZINC000408635563 572292557 /nfs/dbraw/zinc/29/25/57/572292557.db2.gz DXGUPQXZZLRKDH-UHFFFAOYSA-N -1 1 508.383 4.770 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000408635641 195485908 /nfs/dbraw/zinc/48/59/08/195485908.db2.gz GJCIOGFJCMAVOA-UHFFFAOYSA-N -1 1 509.367 4.583 40 0 KJABMM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408635751 572292729 /nfs/dbraw/zinc/29/27/29/572292729.db2.gz IHBKOBQYIRQRMJ-UHFFFAOYSA-N -1 1 509.367 4.598 40 0 KJABMM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000408635876 572292816 /nfs/dbraw/zinc/29/28/16/572292816.db2.gz ISNALEWADHCCOY-UHFFFAOYSA-N -1 1 509.411 4.541 40 0 KJABMM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000408635940 572292850 /nfs/dbraw/zinc/29/28/50/572292850.db2.gz 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40 0 KJABMM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000408636535 572293457 /nfs/dbraw/zinc/29/34/57/572293457.db2.gz RUGQVEZYRXPFCC-UHFFFAOYSA-N -1 1 550.464 4.530 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000408636711 572293571 /nfs/dbraw/zinc/29/35/71/572293571.db2.gz UBVNYOKSSKEERX-UHFFFAOYSA-N -1 1 538.428 4.661 40 0 KJABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636899 572293819 /nfs/dbraw/zinc/29/38/19/572293819.db2.gz VTLRIMKSPLIZOB-UHFFFAOYSA-N -1 1 569.419 4.616 40 0 KJABMM CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000408637091 572294115 /nfs/dbraw/zinc/29/41/15/572294115.db2.gz XKXTUSVFOQOKGB-UHFFFAOYSA-N -1 1 508.383 4.770 40 0 KJABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000408637101 572294165 /nfs/dbraw/zinc/29/41/65/572294165.db2.gz XRLMCBWHXPILMD-UHFFFAOYSA-N -1 1 538.428 4.661 40 0 KJABMM O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408673172 572316549 /nfs/dbraw/zinc/31/65/49/572316549.db2.gz PXKYDFODMZFEAM-UHFFFAOYSA-N -1 1 507.593 4.541 40 0 KJABMM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)CC2)cc1 ZINC000408677065 572318971 /nfs/dbraw/zinc/31/89/71/572318971.db2.gz AFOXGPIENUQRMV-UHFFFAOYSA-N -1 1 559.735 4.557 40 0 KJABMM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)CC2)cc1 ZINC000408677141 572318885 /nfs/dbraw/zinc/31/88/85/572318885.db2.gz ANTGZXKAWDJQOL-UHFFFAOYSA-N -1 1 562.113 4.630 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)c1 ZINC000408677220 572319024 /nfs/dbraw/zinc/31/90/24/572319024.db2.gz ATMCKQHDPASJHO-UHFFFAOYSA-N -1 1 576.140 4.938 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000408677274 572319079 /nfs/dbraw/zinc/31/90/79/572319079.db2.gz BAOXYQJOUWVBGZ-UHFFFAOYSA-N -1 1 536.075 4.634 40 0 KJABMM 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ZINC000408702236 1066547079 /nfs/dbraw/zinc/54/70/79/1066547079.db2.gz LYXITKDGJBWWHG-UHFFFAOYSA-N -1 1 578.510 4.595 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000408702248 1066547131 /nfs/dbraw/zinc/54/71/31/1066547131.db2.gz MCFAYNYAVFVNSJ-UHFFFAOYSA-N -1 1 598.928 4.940 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)cc2)c1 ZINC000408702605 1066547143 /nfs/dbraw/zinc/54/71/43/1066547143.db2.gz MUOYHKJETXQDON-UHFFFAOYSA-N -1 1 541.695 4.777 40 0 KJABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 ZINC000408702729 1066546698 /nfs/dbraw/zinc/54/66/98/1066546698.db2.gz NZDJTFKLDASZKS-UHFFFAOYSA-N -1 1 548.086 4.794 40 0 KJABMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408702784 1066546603 /nfs/dbraw/zinc/54/66/03/1066546603.db2.gz OLOQSANSPXZDDI-UHFFFAOYSA-N -1 1 548.086 4.876 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000408702834 1066546623 /nfs/dbraw/zinc/54/66/23/1066546623.db2.gz OXOWFXCWZPAXDT-UHFFFAOYSA-N -1 1 554.477 4.831 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408702957 1066546088 /nfs/dbraw/zinc/54/60/88/1066546088.db2.gz KZIKKHJBCYLLBZ-UHFFFAOYSA-N -1 1 571.721 4.786 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408703141 1066546252 /nfs/dbraw/zinc/54/62/52/1066546252.db2.gz NRYUCRXYXCJPCU-UHFFFAOYSA-N -1 1 578.112 4.822 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000408703152 1066546299 /nfs/dbraw/zinc/54/62/99/1066546299.db2.gz PEYMFSVALBHERG-UHFFFAOYSA-N -1 1 586.091 4.567 40 0 KJABMM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000408703190 1066546219 /nfs/dbraw/zinc/54/62/19/1066546219.db2.gz PLASHMTXQOFRFA-UHFFFAOYSA-N -1 1 578.112 4.885 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1 606.044 4.569 40 0 KJABMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408703582 1066545733 /nfs/dbraw/zinc/54/57/33/1066545733.db2.gz TZTWRKJQORBVCK-UHFFFAOYSA-N -1 1 578.112 4.966 40 0 KJABMM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408703930 1066545269 /nfs/dbraw/zinc/54/52/69/1066545269.db2.gz WGDLIKGUVFIACW-UHFFFAOYSA-N -1 1 564.085 4.576 40 0 KJABMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408704118 1066545149 /nfs/dbraw/zinc/54/51/49/1066545149.db2.gz XRVYPLKVNLIPCU-UHFFFAOYSA-N -1 1 592.537 4.985 40 0 KJABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc2c(c1)OCO2 ZINC000408704578 1066544832 /nfs/dbraw/zinc/54/48/32/1066544832.db2.gz PXOQNXPEBMQHRE-UHFFFAOYSA-N -1 1 600.502 4.708 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)c1 ZINC000408704697 1066545289 /nfs/dbraw/zinc/54/52/89/1066545289.db2.gz 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/nfs/dbraw/zinc/54/42/80/1066544280.db2.gz CFEJOTSQWMQMJO-UHFFFAOYSA-N -1 1 556.493 4.979 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408705420 1066197799 /nfs/dbraw/zinc/19/77/99/1066197799.db2.gz FHTFVYVUBDLJER-UHFFFAOYSA-N -1 1 571.721 4.786 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408705853 1066544195 /nfs/dbraw/zinc/54/41/95/1066544195.db2.gz ORAHWKOLMSAVPT-UHFFFAOYSA-N -1 1 571.721 4.786 40 0 KJABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCC(C)CC4)c3)cc2)cc1 ZINC000408705977 1066544064 /nfs/dbraw/zinc/54/40/64/1066544064.db2.gz RVNYXCPCTLWBAY-UHFFFAOYSA-N -1 1 587.720 4.568 40 0 KJABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000408706020 1066544173 /nfs/dbraw/zinc/54/41/73/1066544173.db2.gz SVVALUOAFHRJCN-UHFFFAOYSA-N -1 1 550.102 4.943 40 0 KJABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)c1 ZINC000408706025 1066544090 /nfs/dbraw/zinc/54/40/90/1066544090.db2.gz SYENKLFVNBSLDK-UHFFFAOYSA-N -1 1 529.684 4.598 40 0 KJABMM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408706085 1066544347 /nfs/dbraw/zinc/54/43/47/1066544347.db2.gz UZRIUVHGFNFTOP-HNNXBMFYSA-N -1 1 505.390 4.665 40 0 KJABMM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408706086 1066544236 /nfs/dbraw/zinc/54/42/36/1066544236.db2.gz UZRIUVHGFNFTOP-OAHLLOKOSA-N -1 1 505.390 4.665 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000408706203 1066544002 /nfs/dbraw/zinc/54/40/02/1066544002.db2.gz XDFKIOXTILODPA-UHFFFAOYSA-N -1 1 505.518 4.595 40 0 KJABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(F)cc1 ZINC000408706324 1066544255 /nfs/dbraw/zinc/54/42/55/1066544255.db2.gz AQQAVBXVSYADPZ-UHFFFAOYSA-N -1 1 555.653 4.965 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408711142 1066557365 /nfs/dbraw/zinc/55/73/65/1066557365.db2.gz SUFPOQBQUCLCHV-IBGZPJMESA-N -1 1 550.102 4.859 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408711143 1066557562 /nfs/dbraw/zinc/55/75/62/1066557562.db2.gz SUFPOQBQUCLCHV-LJQANCHMSA-N -1 1 550.102 4.859 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711144 1066557545 /nfs/dbraw/zinc/55/75/45/1066557545.db2.gz SVBUJZFNWKSJFK-UHFFFAOYSA-N -1 1 539.610 4.988 40 0 KJABMM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000408711157 1066557525 /nfs/dbraw/zinc/55/75/25/1066557525.db2.gz YVUHAPBDCSGLTM-UHFFFAOYSA-N -1 1 553.637 4.845 40 0 KJABMM CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000408711175 1066557686 /nfs/dbraw/zinc/55/76/86/1066557686.db2.gz CNTSYLIHYIPPNA-UHFFFAOYSA-N -1 1 547.964 4.783 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)cc1 ZINC000408711181 1066557478 /nfs/dbraw/zinc/55/74/78/1066557478.db2.gz DJJQTQPAMBOJMZ-UHFFFAOYSA-N -1 1 551.646 4.858 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)cc2)cc1 ZINC000408711240 1066558133 /nfs/dbraw/zinc/55/81/33/1066558133.db2.gz KZPZMJDYUOESTK-UHFFFAOYSA-N -1 1 551.646 4.858 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1 ZINC000408711250 1066558225 /nfs/dbraw/zinc/55/82/25/1066558225.db2.gz MCIBTKXOLKWBAB-UHFFFAOYSA-N -1 1 537.619 4.549 40 0 KJABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711272 1066558189 /nfs/dbraw/zinc/55/81/89/1066558189.db2.gz BZJUFGRXWISUEH-HNNXBMFYSA-N -1 1 616.943 4.705 40 0 KJABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711273 1066557987 /nfs/dbraw/zinc/55/79/87/1066557987.db2.gz BZJUFGRXWISUEH-OAHLLOKOSA-N -1 1 616.943 4.705 40 0 KJABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711277 1066556323 /nfs/dbraw/zinc/55/63/23/1066556323.db2.gz CODHBWIODMZWLY-UHFFFAOYSA-N -1 1 580.128 4.951 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408711337 1066556690 /nfs/dbraw/zinc/55/66/90/1066556690.db2.gz JXJXPNUECRSSDN-UHFFFAOYSA-N -1 1 550.102 4.943 40 0 KJABMM CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000408711338 1066557043 /nfs/dbraw/zinc/55/70/43/1066557043.db2.gz JYHBHBFMANDGQY-UHFFFAOYSA-N -1 1 550.102 4.843 40 0 KJABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711349 1066556884 /nfs/dbraw/zinc/55/68/84/1066556884.db2.gz KZZQGUVCTBWMAR-GOSISDBHSA-N -1 1 566.101 4.559 40 0 KJABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711350 1066556837 /nfs/dbraw/zinc/55/68/37/1066556837.db2.gz KZZQGUVCTBWMAR-SFHVURJKSA-N -1 1 566.101 4.559 40 0 KJABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000408711360 1066557013 /nfs/dbraw/zinc/55/70/13/1066557013.db2.gz NFRZCIZQNREDKB-IBGZPJMESA-N -1 1 550.102 4.859 40 0 KJABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000408711361 1066556667 /nfs/dbraw/zinc/55/66/67/1066556667.db2.gz NFRZCIZQNREDKB-LJQANCHMSA-N -1 1 550.102 4.859 40 0 KJABMM CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000408711368 1066556804 /nfs/dbraw/zinc/55/68/04/1066556804.db2.gz OFHDQZQKJXAADA-UHFFFAOYSA-N -1 1 550.102 4.843 40 0 KJABMM CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000408711401 1066557031 /nfs/dbraw/zinc/55/70/31/1066557031.db2.gz RZRIGMPWBWGQOH-UHFFFAOYSA-N -1 1 553.637 4.845 40 0 KJABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711402 1066556993 /nfs/dbraw/zinc/55/69/93/1066556993.db2.gz SCGSYNCGCHCWSH-INIZCTEOSA-N -1 1 586.519 4.904 40 0 KJABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711403 1066557583 /nfs/dbraw/zinc/55/75/83/1066557583.db2.gz SCGSYNCGCHCWSH-MRXNPFEDSA-N -1 1 586.519 4.904 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)c1 ZINC000408711428 1066555695 /nfs/dbraw/zinc/55/56/95/1066555695.db2.gz WKKZMLKLAOSRIY-UHFFFAOYSA-N -1 1 543.711 4.806 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1 ZINC000408711446 1066555757 /nfs/dbraw/zinc/55/57/57/1066555757.db2.gz XYTOVZYMQANURX-UHFFFAOYSA-N -1 1 551.646 4.858 40 0 KJABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711455 1066555720 /nfs/dbraw/zinc/55/57/20/1066555720.db2.gz YOHHRNWPICOMDF-UHFFFAOYSA-N -1 1 586.519 4.988 40 0 KJABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C ZINC000408711488 1066197734 /nfs/dbraw/zinc/19/77/34/1066197734.db2.gz NRTJUYXHOUJACC-UHFFFAOYSA-N -1 1 550.102 4.943 40 0 KJABMM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1OC ZINC000408711533 1066556284 /nfs/dbraw/zinc/55/62/84/1066556284.db2.gz UWDXTOIAZSLKJU-UHFFFAOYSA-N -1 1 559.644 4.729 40 0 KJABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711535 1066556427 /nfs/dbraw/zinc/55/64/27/1066556427.db2.gz UXEWWDFVSBTXQR-UHFFFAOYSA-N -1 1 566.101 4.643 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1NS(C)(=O)=O ZINC000408711567 1066555647 /nfs/dbraw/zinc/55/56/47/1066555647.db2.gz YHLWIFGOBAIICC-UHFFFAOYSA-N -1 1 528.439 4.726 40 0 KJABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711574 1066555618 /nfs/dbraw/zinc/55/56/18/1066555618.db2.gz ZZHXDQOHGFFRTK-INIZCTEOSA-N -1 1 586.519 4.904 40 0 KJABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711575 1066555834 /nfs/dbraw/zinc/55/58/34/1066555834.db2.gz ZZHXDQOHGFFRTK-MRXNPFEDSA-N -1 1 586.519 4.904 40 0 KJABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000408712132 1066555300 /nfs/dbraw/zinc/55/53/00/1066555300.db2.gz AYJUVOQXHAMSPE-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000408712133 1066555220 /nfs/dbraw/zinc/55/52/20/1066555220.db2.gz AYJUVOQXHAMSPE-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712136 1066555246 /nfs/dbraw/zinc/55/52/46/1066555246.db2.gz BHZUKROVCVPQKP-HNNXBMFYSA-N -1 1 606.044 4.961 40 0 KJABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712137 1066555051 /nfs/dbraw/zinc/55/50/51/1066555051.db2.gz BHZUKROVCVPQKP-OAHLLOKOSA-N -1 1 606.044 4.961 40 0 KJABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000408712140 1066555772 /nfs/dbraw/zinc/55/57/72/1066555772.db2.gz CNCHVNCYJUHTBG-INIZCTEOSA-N -1 1 556.493 4.896 40 0 KJABMM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000408712141 1066555887 /nfs/dbraw/zinc/55/58/87/1066555887.db2.gz CNCHVNCYJUHTBG-MRXNPFEDSA-N -1 1 556.493 4.896 40 0 KJABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000408712180 1066554419 /nfs/dbraw/zinc/55/44/19/1066554419.db2.gz NDAGTCDLOYBMDC-IBGZPJMESA-N -1 1 550.102 4.859 40 0 KJABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000408712181 1066554690 /nfs/dbraw/zinc/55/46/90/1066554690.db2.gz NDAGTCDLOYBMDC-LJQANCHMSA-N -1 1 550.102 4.859 40 0 KJABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712184 1066554564 /nfs/dbraw/zinc/55/45/64/1066554564.db2.gz NQMBKMXBMQBACY-UHFFFAOYSA-N -1 1 586.519 4.988 40 0 KJABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000408712187 1066554450 /nfs/dbraw/zinc/55/44/50/1066554450.db2.gz OEEJHWVFVCYXNO-UHFFFAOYSA-N -1 1 539.610 4.988 40 0 KJABMM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1 ZINC000408712222 1066555268 /nfs/dbraw/zinc/55/52/68/1066555268.db2.gz WRMQTXZCLOZPLA-UHFFFAOYSA-N -1 1 551.646 4.939 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408712233 1066555115 /nfs/dbraw/zinc/55/51/15/1066555115.db2.gz YGDAKTMHZBPSKA-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408712234 1066555030 /nfs/dbraw/zinc/55/50/30/1066555030.db2.gz YGDAKTMHZBPSKA-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000408712239 1066555083 /nfs/dbraw/zinc/55/50/83/1066555083.db2.gz ZLCYEIOJMBVADA-INIZCTEOSA-N -1 1 556.493 4.896 40 0 KJABMM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000408712240 1066555198 /nfs/dbraw/zinc/55/51/98/1066555198.db2.gz ZLCYEIOJMBVADA-MRXNPFEDSA-N -1 1 556.493 4.896 40 0 KJABMM Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408712258 1066555332 /nfs/dbraw/zinc/55/53/32/1066555332.db2.gz DAUZTRPIKQAGLV-UHFFFAOYSA-N -1 1 528.439 4.726 40 0 KJABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712281 1066555150 /nfs/dbraw/zinc/55/51/50/1066555150.db2.gz HECSJPAQKAJQQD-HNNXBMFYSA-N -1 1 572.492 4.596 40 0 KJABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712282 1066555233 /nfs/dbraw/zinc/55/52/33/1066555233.db2.gz HECSJPAQKAJQQD-OAHLLOKOSA-N -1 1 572.492 4.596 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000408712292 1066555134 /nfs/dbraw/zinc/55/51/34/1066555134.db2.gz HVNMVTHOEBWJLB-UHFFFAOYSA-N -1 1 543.711 4.906 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3C)cc2)cc1 ZINC000408712298 1066553940 /nfs/dbraw/zinc/55/39/40/1066553940.db2.gz JEEMHLPHGLWCOF-UHFFFAOYSA-N -1 1 551.646 4.858 40 0 KJABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712308 1066553844 /nfs/dbraw/zinc/55/38/44/1066553844.db2.gz KXMBWNFFLCEGOM-INIZCTEOSA-N -1 1 586.519 4.904 40 0 KJABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712309 1066554106 /nfs/dbraw/zinc/55/41/06/1066554106.db2.gz KXMBWNFFLCEGOM-MRXNPFEDSA-N -1 1 586.519 4.904 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408712350 1066554004 /nfs/dbraw/zinc/55/40/04/1066554004.db2.gz PVKPRPHYYSIIEB-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408712351 1066554145 /nfs/dbraw/zinc/55/41/45/1066554145.db2.gz PVKPRPHYYSIIEB-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000408712358 1066554084 /nfs/dbraw/zinc/55/40/84/1066554084.db2.gz QNZLAWYVFPUKSV-UHFFFAOYSA-N -1 1 550.102 4.943 40 0 KJABMM CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000408712399 1066554634 /nfs/dbraw/zinc/55/46/34/1066554634.db2.gz XJWQFFUCZCRWNA-UHFFFAOYSA-N -1 1 594.553 4.952 40 0 KJABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000408712401 1066554613 /nfs/dbraw/zinc/55/46/13/1066554613.db2.gz XVZIPSQPQZYREK-GOSISDBHSA-N -1 1 580.526 4.660 40 0 KJABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000408712402 1066554499 /nfs/dbraw/zinc/55/44/99/1066554499.db2.gz XVZIPSQPQZYREK-SFHVURJKSA-N -1 1 580.526 4.660 40 0 KJABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408712536 1066553533 /nfs/dbraw/zinc/55/35/33/1066553533.db2.gz HEZXWHQHTATIRB-GOSISDBHSA-N -1 1 569.627 4.916 40 0 KJABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408712537 1066553359 /nfs/dbraw/zinc/55/33/59/1066553359.db2.gz HEZXWHQHTATIRB-SFHVURJKSA-N -1 1 569.627 4.916 40 0 KJABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712546 1066553521 /nfs/dbraw/zinc/55/35/21/1066553521.db2.gz KCAALSZJZRSUND-HNNXBMFYSA-N -1 1 572.492 4.596 40 0 KJABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712547 1066553383 /nfs/dbraw/zinc/55/33/83/1066553383.db2.gz KCAALSZJZRSUND-OAHLLOKOSA-N -1 1 572.492 4.596 40 0 KJABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000408712556 1066554025 /nfs/dbraw/zinc/55/40/25/1066554025.db2.gz NKEOVJRIJRUCIN-GOSISDBHSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000408712557 1066554157 /nfs/dbraw/zinc/55/41/57/1066554157.db2.gz NKEOVJRIJRUCIN-SFHVURJKSA-N -1 1 536.075 4.551 40 0 KJABMM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(C)(=O)=O ZINC000408712574 1066553868 /nfs/dbraw/zinc/55/38/68/1066553868.db2.gz SMUOPUDYJABEFU-UHFFFAOYSA-N -1 1 536.075 4.634 40 0 KJABMM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408712590 1066553507 /nfs/dbraw/zinc/55/35/07/1066553507.db2.gz YBSGVZPJJHTZKR-UHFFFAOYSA-N -1 1 566.101 4.643 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714548 1066551641 /nfs/dbraw/zinc/55/16/41/1066551641.db2.gz CSWYMOQBCIRJFO-UHFFFAOYSA-N -1 1 565.783 4.646 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1C(=O)N1CCCC1 ZINC000408714552 1066551537 /nfs/dbraw/zinc/55/15/37/1066551537.db2.gz DCSPDZPKZUEPGS-UHFFFAOYSA-N -1 1 566.126 4.900 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714560 1066551568 /nfs/dbraw/zinc/55/15/68/1066551568.db2.gz DTLFIBIOWQTJQP-UHFFFAOYSA-N -1 1 559.735 4.945 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)N1CCCC1 ZINC000408714572 1066551257 /nfs/dbraw/zinc/55/12/57/1066551257.db2.gz GASSTTUPLUXMNQ-UHFFFAOYSA-N -1 1 566.126 4.900 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714576 1066551938 /nfs/dbraw/zinc/55/19/38/1066551938.db2.gz GFKFGICVXYHLHH-UHFFFAOYSA-N -1 1 530.453 4.830 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)N1CCCC1 ZINC000408714577 1066552123 /nfs/dbraw/zinc/55/21/23/1066552123.db2.gz GTHPZAOYYDQJOU-UHFFFAOYSA-N -1 1 545.708 4.555 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714587 1066552064 /nfs/dbraw/zinc/55/20/64/1066552064.db2.gz HNRWRWOSWIJIOV-UHFFFAOYSA-N -1 1 545.708 4.636 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714593 1066552140 /nfs/dbraw/zinc/55/21/40/1066552140.db2.gz IFEILWPOCVUBEH-UHFFFAOYSA-N -1 1 559.735 4.863 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714600 1066552031 /nfs/dbraw/zinc/55/20/31/1066552031.db2.gz JEOREWBSRMFQAW-UHFFFAOYSA-N -1 1 566.126 4.900 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714603 1066552101 /nfs/dbraw/zinc/55/21/01/1066552101.db2.gz JNFFAXJGVMSUSB-UHFFFAOYSA-N -1 1 559.735 4.882 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000408714613 1066551997 /nfs/dbraw/zinc/55/19/97/1066551997.db2.gz KNQZJJMTKOQDRD-UHFFFAOYSA-N -1 1 544.480 4.994 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1C(=O)N1CCCCC1 ZINC000408714632 1066550789 /nfs/dbraw/zinc/55/07/89/1066550789.db2.gz LFMNQDFBTLFLQW-UHFFFAOYSA-N -1 1 530.453 4.748 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1C(=O)N1CCCC1 ZINC000408714646 1066550670 /nfs/dbraw/zinc/55/06/70/1066550670.db2.gz LJRJINRUTLJULR-UHFFFAOYSA-N -1 1 559.735 4.863 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1C(=O)N1CCCC1 ZINC000408714747 1066550887 /nfs/dbraw/zinc/55/08/87/1066550887.db2.gz MZOKPVUQNXPCRW-UHFFFAOYSA-N -1 1 559.735 4.863 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCOCC1 ZINC000408714753 1066551443 /nfs/dbraw/zinc/55/14/43/1066551443.db2.gz NIAMRDHGPJVGAD-UHFFFAOYSA-N -1 1 616.570 4.789 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714754 1066551383 /nfs/dbraw/zinc/55/13/83/1066551383.db2.gz NNAORERVKCAVIN-UHFFFAOYSA-N -1 1 565.783 4.790 40 0 KJABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCC4)c3)cc2)cc1 ZINC000408714765 1066551309 /nfs/dbraw/zinc/55/13/09/1066551309.db2.gz NTZBDUPXCOPOPA-UHFFFAOYSA-N -1 1 575.734 4.645 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1C(=O)N1CCCC1 ZINC000408714785 1066550023 /nfs/dbraw/zinc/55/00/23/1066550023.db2.gz OGXLRBDJCJAIRY-UHFFFAOYSA-N -1 1 545.708 4.555 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C(=O)N1CCOCC1 ZINC000408714787 1066550424 /nfs/dbraw/zinc/55/04/24/1066550424.db2.gz OJGMXXWQJLOGIX-UHFFFAOYSA-N -1 1 616.570 4.789 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714793 1066550398 /nfs/dbraw/zinc/55/03/98/1066550398.db2.gz OMJBGRQQQWJTLE-UHFFFAOYSA-N -1 1 545.708 4.555 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1C(=O)N1CCCC1 ZINC000408714804 1066550267 /nfs/dbraw/zinc/55/02/67/1066550267.db2.gz OYSVFYHEHPYKTE-UHFFFAOYSA-N -1 1 559.735 4.863 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCC4)c3)cc2)cc1 ZINC000408714811 1066550446 /nfs/dbraw/zinc/55/04/46/1066550446.db2.gz PBERERHYXYKNME-UHFFFAOYSA-N -1 1 575.734 4.645 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714841 1066550919 /nfs/dbraw/zinc/55/09/19/1066550919.db2.gz QBBGURPUKNGINA-UHFFFAOYSA-N -1 1 559.735 4.945 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714882 1066550754 /nfs/dbraw/zinc/55/07/54/1066550754.db2.gz RMZAQEGYNNWRJY-UHFFFAOYSA-N -1 1 559.735 4.945 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714994 1066549634 /nfs/dbraw/zinc/54/96/34/1066549634.db2.gz UNAMZVYGXHWBLL-UHFFFAOYSA-N -1 1 563.698 4.775 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCC(C)CC4)c3)cc2)cc1 ZINC000408715001 1066549696 /nfs/dbraw/zinc/54/96/96/1066549696.db2.gz VJDZDUVWJOWCFZ-UHFFFAOYSA-N -1 1 589.761 4.891 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCOCC1 ZINC000408715007 1066549546 /nfs/dbraw/zinc/54/95/46/1066549546.db2.gz VXBCANXCTWKFNW-UHFFFAOYSA-N -1 1 615.677 4.501 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C(=O)N1CCOCC1 ZINC000408715010 1066550134 /nfs/dbraw/zinc/55/01/34/1066550134.db2.gz VYUMMNIZPUJKBF-UHFFFAOYSA-N -1 1 616.570 4.789 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1C(=O)N1CCOCC1 ZINC000408715028 1066550096 /nfs/dbraw/zinc/55/00/96/1066550096.db2.gz XNMHIPAULHEMCB-UHFFFAOYSA-N -1 1 597.740 4.636 40 0 KJABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715042 1066550238 /nfs/dbraw/zinc/55/02/38/1066550238.db2.gz YLOCIBRSEOCJBL-UHFFFAOYSA-N -1 1 530.453 4.686 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408725260 1066560402 /nfs/dbraw/zinc/56/04/02/1066560402.db2.gz GLXJHFFWBYKEEY-KFVRLDSISA-N -1 1 659.727 4.524 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408725263 1066560376 /nfs/dbraw/zinc/56/03/76/1066560376.db2.gz GLXJHFFWBYKEEY-OJEAVSNDSA-N -1 1 659.727 4.524 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733867 1066565628 /nfs/dbraw/zinc/56/56/28/1066565628.db2.gz BOUJAYVHNDALNM-JUTHHCEFSA-N -1 1 760.388 4.511 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408733868 1066565546 /nfs/dbraw/zinc/56/55/46/1066565546.db2.gz BOUJAYVHNDALNM-VVOOWDFBSA-N -1 1 760.388 4.511 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735760 1066564212 /nfs/dbraw/zinc/56/42/12/1066564212.db2.gz XCXFPSBHCFMMPM-JUTHHCEFSA-N -1 1 713.388 4.668 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000408735762 1066564363 /nfs/dbraw/zinc/56/43/63/1066564363.db2.gz 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4.658 40 0 KJABMM COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Br)c2)C1=O ZINC000408866483 1066658907 /nfs/dbraw/zinc/65/89/07/1066658907.db2.gz GWXMVSDWGFLIIC-APSNUPSMSA-N -1 1 531.306 4.857 40 0 KJABMM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(Br)c2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408881136 1066258180 /nfs/dbraw/zinc/25/81/80/1066258180.db2.gz IAXCZGUDIMUJHE-CHHVJCJISA-N -1 1 501.280 4.849 40 0 KJABMM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408905926 1066683547 /nfs/dbraw/zinc/68/35/47/1066683547.db2.gz BEEQUTUEPIHIKD-SWGQDTFXSA-N -1 1 501.358 4.631 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1Br ZINC000408906101 1066682871 /nfs/dbraw/zinc/68/28/71/1066682871.db2.gz CJKRUJFJGLSTBD-UHFFFAOYSA-N -1 1 525.446 4.676 40 0 KJABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(Br)cc1 ZINC000408906876 1066263492 /nfs/dbraw/zinc/26/34/92/1066263492.db2.gz JSEQKBTZLVAEFZ-UHFFFAOYSA-N -1 1 546.262 4.813 40 0 KJABMM 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/nfs/dbraw/zinc/26/97/13/1066269713.db2.gz GAQOQWKQZFGQDY-UHFFFAOYSA-N -1 1 586.917 4.616 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000408920430 1066704462 /nfs/dbraw/zinc/70/44/62/1066704462.db2.gz HKMOCBTXVVXKPK-UHFFFAOYSA-N -1 1 595.699 4.647 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408920465 1066269574 /nfs/dbraw/zinc/26/95/74/1066269574.db2.gz ITRLZFKDZHGPFP-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000408920577 1066704676 /nfs/dbraw/zinc/70/46/76/1066704676.db2.gz JBWADVQMFGOVNE-UHFFFAOYSA-N -1 1 556.493 4.816 40 0 KJABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408920660 1066704126 /nfs/dbraw/zinc/70/41/26/1066704126.db2.gz MANMNXLHOAIIRT-UHFFFAOYSA-N -1 1 592.017 4.573 40 0 KJABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)c1 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ZINC000408921167 1066703315 /nfs/dbraw/zinc/70/33/15/1066703315.db2.gz UDVLEBRAUFPHBS-UHFFFAOYSA-N -1 1 607.335 4.961 40 0 KJABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408921636 1066702903 /nfs/dbraw/zinc/70/29/03/1066702903.db2.gz BLQUCAZDVUQOCH-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000408921766 1066270264 /nfs/dbraw/zinc/27/02/64/1066270264.db2.gz WWPTZANPVPVNTQ-UHFFFAOYSA-N -1 1 562.884 4.852 40 0 KJABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000408921808 1066702850 /nfs/dbraw/zinc/70/28/50/1066702850.db2.gz XSCISQMHALQMOD-UHFFFAOYSA-N -1 1 606.044 4.963 40 0 KJABMM CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Cl)cc(I)c4[O-])c(=O)n32)cc1 ZINC000408922155 1066270237 /nfs/dbraw/zinc/27/02/37/1066270237.db2.gz NRGOPHDDCGMPNA-BYHQVZLYSA-N -1 1 640.952 4.872 40 0 KJABMM CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Cl)cc(I)c4[O-])c(=O)n32)cc1 ZINC000408922157 1066702824 /nfs/dbraw/zinc/70/28/24/1066702824.db2.gz NRGOPHDDCGMPNA-LYFUXTGPSA-N -1 1 640.952 4.872 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000408922256 1066702330 /nfs/dbraw/zinc/70/23/30/1066702330.db2.gz YUPHORIMZSYZEG-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000408922301 1066270067 /nfs/dbraw/zinc/27/00/67/1066270067.db2.gz ZEBKVDUBBRGQBB-UHFFFAOYSA-N -1 1 519.545 4.591 40 0 KJABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408922307 1066270295 /nfs/dbraw/zinc/27/02/95/1066270295.db2.gz ZFTYSXVIYUJPBG-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1OC ZINC000408922422 1066702267 /nfs/dbraw/zinc/70/22/67/1066702267.db2.gz AQLRLXMIQMYUPF-UHFFFAOYSA-N -1 1 517.412 4.612 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1Br ZINC000408922637 1066271674 /nfs/dbraw/zinc/27/16/74/1066271674.db2.gz CZFVMVDVMKMUEF-UHFFFAOYSA-N -1 1 576.288 4.822 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408923134 1066701713 /nfs/dbraw/zinc/70/17/13/1066701713.db2.gz ACOLFQAJJBWRPJ-UHFFFAOYSA-N -1 1 535.647 4.630 40 0 KJABMM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OC ZINC000408923164 1066271641 /nfs/dbraw/zinc/27/16/41/1066271641.db2.gz FWIZQLSLPOGFED-LNKIKWGQSA-N -1 1 517.401 4.919 40 0 KJABMM O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408923186 1066701769 /nfs/dbraw/zinc/70/17/69/1066701769.db2.gz APICNOKUNXOCMX-UHFFFAOYSA-N -1 1 590.605 4.735 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408923412 1066200068 /nfs/dbraw/zinc/20/00/68/1066200068.db2.gz CNBGHXVUCMPTIE-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OC ZINC000408923640 1066701802 /nfs/dbraw/zinc/70/18/02/1066701802.db2.gz YYEKIQQXOCLITN-UHFFFAOYSA-N -1 1 550.964 4.978 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408924009 1066701314 /nfs/dbraw/zinc/70/13/14/1066701314.db2.gz JANIXQOYMLALHK-UHFFFAOYSA-N -1 1 553.637 4.769 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000408924070 1066701361 /nfs/dbraw/zinc/70/13/61/1066701361.db2.gz NLBWZARTRKUHQZ-UHFFFAOYSA-N -1 1 501.608 4.725 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408924206 1066273081 /nfs/dbraw/zinc/27/30/81/1066273081.db2.gz QTGQFFHWWQONJR-JRCVWDDOSA-N -1 1 719.779 4.542 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408924209 1066273195 /nfs/dbraw/zinc/27/31/95/1066273195.db2.gz QTGQFFHWWQONJR-KKGUTSHJSA-N -1 1 719.779 4.542 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408924353 1066701255 /nfs/dbraw/zinc/70/12/55/1066701255.db2.gz HCWXBDVERQHDSI-UHFFFAOYSA-N -1 1 561.991 4.564 40 0 KJABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000408924378 1066701195 /nfs/dbraw/zinc/70/11/95/1066701195.db2.gz HTFAPJBAYWEYRL-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408925004 1066273249 /nfs/dbraw/zinc/27/32/49/1066273249.db2.gz RKSSFIBMUWBJKK-UHFFFAOYSA-N -1 1 586.091 4.983 40 0 KJABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408925053 1066700439 /nfs/dbraw/zinc/70/04/39/1066700439.db2.gz SLZHKZQXTFEOQD-UHFFFAOYSA-N -1 1 565.673 4.638 40 0 KJABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408925074 1066271180 /nfs/dbraw/zinc/27/11/80/1066271180.db2.gz IMDKRYZJXMVONU-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408925077 1066271044 /nfs/dbraw/zinc/27/10/44/1066271044.db2.gz IMOCEZDVIKECMW-UHFFFAOYSA-N -1 1 555.600 4.528 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000408925202 1066700520 /nfs/dbraw/zinc/70/05/20/1066700520.db2.gz LBYWBPUJBLTTIC-MUUNZHRXSA-N -1 1 743.207 4.862 40 0 KJABMM O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408925240 1066700541 /nfs/dbraw/zinc/70/05/41/1066700541.db2.gz LGLSWYTZDFUFCP-UHFFFAOYSA-N -1 1 572.668 4.870 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000408925519 1066700071 /nfs/dbraw/zinc/70/00/71/1066700071.db2.gz ULZAAALGVQRMCX-UHFFFAOYSA-N -1 1 542.466 4.507 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(Cl)c1 ZINC000408925821 1066271583 /nfs/dbraw/zinc/27/15/83/1066271583.db2.gz QSPGXPSYDYLDRV-UHFFFAOYSA-N -1 1 561.991 4.564 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408926041 1066200762 /nfs/dbraw/zinc/20/07/62/1066200762.db2.gz NEMLIQKXRIWCFI-UHFFFAOYSA-N -1 1 549.674 4.938 40 0 KJABMM O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408926049 1066700047 /nfs/dbraw/zinc/70/00/47/1066700047.db2.gz NJBBQBFKOUNQDM-UHFFFAOYSA-N -1 1 556.065 4.975 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1Br ZINC000408926081 1066272021 /nfs/dbraw/zinc/27/20/21/1066272021.db2.gz OEBRMQRDXPPPKT-UHFFFAOYSA-N -1 1 606.442 4.673 40 0 KJABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408926087 1066699949 /nfs/dbraw/zinc/69/99/49/1066699949.db2.gz XIEYXJYBTZPVLA-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408926141 1066699996 /nfs/dbraw/zinc/69/99/96/1066699996.db2.gz PHPNUNRXAKXCOI-UHFFFAOYSA-N -1 1 595.699 4.647 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408926171 1066700010 /nfs/dbraw/zinc/70/00/10/1066700010.db2.gz PSAOHLNVJBWHJN-UHFFFAOYSA-N -1 1 595.699 4.647 40 0 KJABMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000408926382 1066699169 /nfs/dbraw/zinc/69/91/69/1066699169.db2.gz NECRPIZBSXSDQV-JUTHHCEFSA-N -1 1 645.881 4.977 40 0 KJABMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000408926383 1066271863 /nfs/dbraw/zinc/27/18/63/1066271863.db2.gz NECRPIZBSXSDQV-VVOOWDFBSA-N -1 1 645.881 4.977 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccc2ccccc21 ZINC000408926929 1066699213 /nfs/dbraw/zinc/69/92/13/1066699213.db2.gz ZWFGRIZPNRCIGP-UHFFFAOYSA-N -1 1 544.054 4.699 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000408926993 1066699350 /nfs/dbraw/zinc/69/93/50/1066699350.db2.gz VCWASNQLRYAQBD-OBVMJLIASA-N -1 1 642.902 4.899 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000408926996 1066272996 /nfs/dbraw/zinc/27/29/96/1066272996.db2.gz VCWASNQLRYAQBD-WNOSOOIWSA-N -1 1 642.902 4.899 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1Cl ZINC000408927139 1066273784 /nfs/dbraw/zinc/27/37/84/1066273784.db2.gz STJWVHREWKVMHH-UHFFFAOYSA-N -1 1 574.080 4.707 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(C)cc2)cc1OC ZINC000408927257 1066273673 /nfs/dbraw/zinc/27/36/73/1066273673.db2.gz UTCCKUFTVAQBJI-UHFFFAOYSA-N -1 1 609.726 4.955 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408927532 1066710462 /nfs/dbraw/zinc/71/04/62/1066710462.db2.gz WPFCKYOZHHHECY-UHFFFAOYSA-N -1 1 571.080 4.678 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1Br ZINC000408927546 1066710499 /nfs/dbraw/zinc/71/04/99/1066710499.db2.gz WWYPGNRBYOBLER-UHFFFAOYSA-N -1 1 588.505 4.808 40 0 KJABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408927563 1066711096 /nfs/dbraw/zinc/71/10/96/1066711096.db2.gz XLNVSQVUEKAIOD-UHFFFAOYSA-N -1 1 579.700 4.947 40 0 KJABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000408927593 1066711068 /nfs/dbraw/zinc/71/10/68/1066711068.db2.gz XXBSEEMINQITDJ-UHFFFAOYSA-N -1 1 576.018 4.873 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C/c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000408927998 1066710099 /nfs/dbraw/zinc/71/00/99/1066710099.db2.gz ZJLGVAMJYICRMB-AFHVAHMMSA-N -1 1 638.911 4.551 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C/c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000408928099 1066710052 /nfs/dbraw/zinc/71/00/52/1066710052.db2.gz ZJLGVAMJYICRMB-ZRELAVNMSA-N -1 1 638.911 4.551 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(=O)/c(=C/c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000408928312 1066709574 /nfs/dbraw/zinc/70/95/74/1066709574.db2.gz ZSGSCXAXVRSQGF-DDYRAIOVSA-N -1 1 614.914 4.604 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(=O)/c(=C/c3cc(Cl)cc(I)c3[O-])sc2=N1 ZINC000408928313 1066274570 /nfs/dbraw/zinc/27/45/70/1066274570.db2.gz ZSGSCXAXVRSQGF-WSDUQJHMSA-N -1 1 614.914 4.604 40 0 KJABMM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc(I)c3[O-])C2=O)cc1C ZINC000408929948 1066708391 /nfs/dbraw/zinc/70/83/91/1066708391.db2.gz QAVFILMSKPWYSS-FRKPEAEDSA-N -1 1 542.782 4.942 40 0 KJABMM COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000408930353 1066707952 /nfs/dbraw/zinc/70/79/52/1066707952.db2.gz VZOAENWDRIKSNU-WUXMJOGZSA-N -1 1 561.024 4.781 40 0 KJABMM COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n21 ZINC000408933331 1066715564 /nfs/dbraw/zinc/71/55/64/1066715564.db2.gz AQXNCSMWXMDRHX-HUHAETNCSA-N -1 1 795.231 4.873 40 0 KJABMM COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n21 ZINC000408933332 1066276258 /nfs/dbraw/zinc/27/62/58/1066276258.db2.gz AQXNCSMWXMDRHX-YMAYPHAPSA-N -1 1 795.231 4.873 40 0 KJABMM COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n21 ZINC000408939333 1066278889 /nfs/dbraw/zinc/27/88/89/1066278889.db2.gz BDMZJXOQRGNOCV-HUHAETNCSA-N -1 1 703.780 4.922 40 0 KJABMM COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n21 ZINC000408939336 1066726241 /nfs/dbraw/zinc/72/62/41/1066726241.db2.gz BDMZJXOQRGNOCV-YMAYPHAPSA-N -1 1 703.780 4.922 40 0 KJABMM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)c(Br)c1[O-] ZINC000408940571 1066724808 /nfs/dbraw/zinc/72/48/08/1066724808.db2.gz VAUNDSGSOUHDKQ-QPEQYQDCSA-N -1 1 560.195 4.740 40 0 KJABMM O=C1N/C(=C/c2cc(Br)cc(I)c2[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000408943771 1066721860 /nfs/dbraw/zinc/72/18/60/1066721860.db2.gz YVUSQCNVNVZWBA-MKMNVTDBSA-N -1 1 533.547 4.506 40 0 KJABMM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4[O-])c(=O)n32)c(OC)c1 ZINC000408981125 1066752620 /nfs/dbraw/zinc/75/26/20/1066752620.db2.gz ZTKCQFILSOPFKT-UTWPHBJQSA-N -1 1 779.394 4.806 40 0 KJABMM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4[O-])c(=O)n32)c(OC)c1 ZINC000408981126 1066752661 /nfs/dbraw/zinc/75/26/61/1066752661.db2.gz ZTKCQFILSOPFKT-VPVLBGOXSA-N -1 1 779.394 4.806 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409000184 1066766904 /nfs/dbraw/zinc/76/69/04/1066766904.db2.gz MTVHKWBVDHVNNB-IISPMBILSA-N -1 1 704.178 4.634 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409000187 1066766873 /nfs/dbraw/zinc/76/68/73/1066766873.db2.gz MTVHKWBVDHVNNB-VZZQTLFRSA-N -1 1 704.178 4.634 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409001601 1066765875 /nfs/dbraw/zinc/76/58/75/1066765875.db2.gz WSKMHDXTDBBKRA-GLSAMTQTSA-N -1 1 764.379 4.859 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409001604 1066299750 /nfs/dbraw/zinc/29/97/50/1066299750.db2.gz WSKMHDXTDBBKRA-WDONWYDGSA-N -1 1 764.379 4.859 40 0 KJABMM O=C1S/C(=C\c2cc(I)cc(I)c2[O-])C(=O)N1CCc1ccccc1 ZINC000409008067 1066774568 /nfs/dbraw/zinc/77/45/68/1066774568.db2.gz VPSDTNXEUGNDMF-DHDCSXOGSA-N -1 1 577.181 4.880 40 0 KJABMM CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409017286 1066775477 /nfs/dbraw/zinc/77/54/77/1066775477.db2.gz FQBDAUNWGZMHSX-NTUHNPAUSA-N -1 1 514.145 4.548 40 0 KJABMM CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(Br)c(Br)c1[O-] ZINC000409019484 1066782238 /nfs/dbraw/zinc/78/22/38/1066782238.db2.gz ZJIDDXYOSVWJFE-QGOAFFKASA-N -1 1 625.339 4.701 40 0 KJABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409024234 1066305805 /nfs/dbraw/zinc/30/58/05/1066305805.db2.gz CCFJICUXOFPLDJ-UHFFFAOYSA-N -1 1 514.412 4.553 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1Br ZINC000409025843 1066776549 /nfs/dbraw/zinc/77/65/49/1066776549.db2.gz YFSGAMAAGSICMN-UHFFFAOYSA-N -1 1 531.837 4.713 40 0 KJABMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Br)cc1 ZINC000409026420 1066776114 /nfs/dbraw/zinc/77/61/14/1066776114.db2.gz OLDYZVBIQYLMPC-UHFFFAOYSA-N -1 1 501.811 4.704 40 0 KJABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c(OC)c1 ZINC000409027233 1066775570 /nfs/dbraw/zinc/77/55/70/1066775570.db2.gz BBGBVPWRQPGPTL-UHFFFAOYSA-N -1 1 517.412 4.612 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1OC ZINC000409027802 1066797402 /nfs/dbraw/zinc/79/74/02/1066797402.db2.gz RSOACNFRLDDOOG-UHFFFAOYSA-N -1 1 517.412 4.612 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1Br ZINC000409028972 1066305553 /nfs/dbraw/zinc/30/55/53/1066305553.db2.gz VUXLARHVEVWRLB-UHFFFAOYSA-N -1 1 531.837 4.713 40 0 KJABMM CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409029892 1066795628 /nfs/dbraw/zinc/79/56/28/1066795628.db2.gz CVLSZNRTEWZHNT-JGZDWKDESA-N -1 1 638.911 4.549 40 0 KJABMM CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Cl)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409029895 1066795646 /nfs/dbraw/zinc/79/56/46/1066795646.db2.gz CVLSZNRTEWZHNT-WYWXSHKMSA-N -1 1 638.911 4.549 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030869 1066793900 /nfs/dbraw/zinc/79/39/00/1066793900.db2.gz IHDVRIVNIJZTGJ-GSOQPGDSSA-N -1 1 668.937 4.558 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409030872 1066306939 /nfs/dbraw/zinc/30/69/39/1066306939.db2.gz IHDVRIVNIJZTGJ-YOURIZNBSA-N -1 1 668.937 4.558 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc([O-])c(Br)c3)sc2=N1 ZINC000409032013 1066792573 /nfs/dbraw/zinc/79/25/73/1066792573.db2.gz HVTTWVLKUNXRBQ-NWKGEQBZSA-N -1 1 591.911 4.709 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc([O-])c(Br)c3)sc2=N1 ZINC000409032016 1066792607 /nfs/dbraw/zinc/79/26/07/1066792607.db2.gz HVTTWVLKUNXRBQ-YOKWNPFVSA-N -1 1 591.911 4.709 40 0 KJABMM CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c([O-])c(Br)c3Br)N(C)C2=S)cc1 ZINC000409032580 1066791803 /nfs/dbraw/zinc/79/18/03/1066791803.db2.gz JIGBAAHOOQPVJF-ZROIWOOFSA-N -1 1 542.249 4.929 40 0 KJABMM CCOc1ccc(N2C(=O)/C(=C/c3cc(I)cc(I)c3[O-])N(C)C2=S)cc1 ZINC000409032798 1066791295 /nfs/dbraw/zinc/79/12/95/1066791295.db2.gz DLNSSINTTMCPRT-SXGWCWSVSA-N -1 1 606.223 4.605 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc([O-])c(Br)c3)sc2=N1 ZINC000409034509 1066309981 /nfs/dbraw/zinc/30/99/81/1066309981.db2.gz HTEZSPDPBYHQRI-NWKGEQBZSA-N -1 1 636.362 4.818 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc([O-])c(Br)c3)sc2=N1 ZINC000409034512 1066789311 /nfs/dbraw/zinc/78/93/11/1066789311.db2.gz HTEZSPDPBYHQRI-YOKWNPFVSA-N -1 1 636.362 4.818 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034628 1066788853 /nfs/dbraw/zinc/78/88/53/1066788853.db2.gz HUVLDPZNCKKZKY-KIHONOKQSA-N -1 1 713.388 4.667 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409034630 1066788984 /nfs/dbraw/zinc/78/89/84/1066788984.db2.gz HUVLDPZNCKKZKY-YLVTVWEBSA-N -1 1 713.388 4.667 40 0 KJABMM CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)cc(I)c3[O-])N(C)C2=S)cc1 ZINC000409034938 1066788336 /nfs/dbraw/zinc/78/83/36/1066788336.db2.gz IMXBVGAYQDVIOP-SXGWCWSVSA-N -1 1 559.223 4.762 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037481 1066798922 /nfs/dbraw/zinc/79/89/22/1066798922.db2.gz CRWFFDNOQRCOOI-GSOQPGDSSA-N -1 1 760.388 4.509 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409037483 1066799049 /nfs/dbraw/zinc/79/90/49/1066799049.db2.gz CRWFFDNOQRCOOI-YOURIZNBSA-N -1 1 760.388 4.509 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c([O-])c(Br)c3Br)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038144 1066797769 /nfs/dbraw/zinc/79/77/69/1066797769.db2.gz DRZIKYZEOHBSOD-KBXFHMSTSA-N -1 1 696.414 4.833 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c([O-])c(Br)c3Br)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409038148 1066797647 /nfs/dbraw/zinc/79/76/47/1066797647.db2.gz DRZIKYZEOHBSOD-WCNLKWBDSA-N -1 1 696.414 4.833 40 0 KJABMM CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409038425 1066812281 /nfs/dbraw/zinc/81/22/81/1066812281.db2.gz OXIKEUBOTAZWEY-JGZDWKDESA-N -1 1 730.362 4.500 40 0 KJABMM CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409038427 1066812211 /nfs/dbraw/zinc/81/22/11/1066812211.db2.gz OXIKEUBOTAZWEY-WYWXSHKMSA-N -1 1 730.362 4.500 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000409039994 1066310412 /nfs/dbraw/zinc/31/04/12/1066310412.db2.gz FAEQUFYEOMXEQR-NWKGEQBZSA-N -1 1 722.342 4.866 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000409039996 1066809252 /nfs/dbraw/zinc/80/92/52/1066809252.db2.gz FAEQUFYEOMXEQR-YOKWNPFVSA-N -1 1 722.342 4.866 40 0 KJABMM CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409040880 1066807763 /nfs/dbraw/zinc/80/77/63/1066807763.db2.gz IOQUMJGUDSHDCV-JGZDWKDESA-N -1 1 683.362 4.658 40 0 KJABMM CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409040883 1066807725 /nfs/dbraw/zinc/80/77/25/1066807725.db2.gz IOQUMJGUDSHDCV-WYWXSHKMSA-N -1 1 683.362 4.658 40 0 KJABMM O=C1[N-]C(=O)/C(=C\c2cc(I)c(OCc3cccc4ccccc43)c(I)c2)N1 ZINC000409041476 1066807287 /nfs/dbraw/zinc/80/72/87/1066807287.db2.gz JPWDLHXGXAHINO-VCHYOVAHSA-N -1 1 596.162 4.808 40 0 KJABMM O=C1[N-]C(=O)/C(=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)N1 ZINC000409045401 1066312748 /nfs/dbraw/zinc/31/27/48/1066312748.db2.gz YGVCCKNUHLDEEV-VGOFMYFVSA-N -1 1 577.998 4.576 40 0 KJABMM O=C1[N-]C(=O)/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)N1 ZINC000409050091 1066819862 /nfs/dbraw/zinc/81/98/62/1066819862.db2.gz YSULNZMFIWIWIS-LHHJGKSTSA-N -1 1 614.992 4.962 40 0 KJABMM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)cc(I)c4[O-])c(=O)n32)c(OC)c1 ZINC000409051128 1066818679 /nfs/dbraw/zinc/81/86/79/1066818679.db2.gz AITCGCZEHRRPEO-RLGZEVEKSA-N -1 1 732.394 4.964 40 0 KJABMM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)cc(I)c4[O-])c(=O)n32)c(OC)c1 ZINC000409051129 1066818804 /nfs/dbraw/zinc/81/88/04/1066818804.db2.gz AITCGCZEHRRPEO-WLPTYJMBSA-N -1 1 732.394 4.964 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409051765 195503086 /nfs/dbraw/zinc/50/30/86/195503086.db2.gz DZQVQKSLJSHZJY-FNUHDPNESA-N -1 1 683.362 4.660 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409051768 1066818388 /nfs/dbraw/zinc/81/83/88/1066818388.db2.gz DZQVQKSLJSHZJY-PZDOZLBDSA-N -1 1 683.362 4.660 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409056764 1066813977 /nfs/dbraw/zinc/81/39/77/1066813977.db2.gz IHDBDOMQILXGHD-KHVWPYCOSA-N -1 1 734.204 4.642 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409056766 1066813871 /nfs/dbraw/zinc/81/38/71/1066813871.db2.gz IHDBDOMQILXGHD-KYSILRCISA-N -1 1 734.204 4.642 40 0 KJABMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409056904 1066813855 /nfs/dbraw/zinc/81/38/55/1066813855.db2.gz FGOBXTFIGRJLEE-FJWZAKCXSA-N -1 1 672.342 4.947 40 0 KJABMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409056907 1066813922 /nfs/dbraw/zinc/81/39/22/1066813922.db2.gz FGOBXTFIGRJLEE-RQLGBQGVSA-N -1 1 672.342 4.947 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409059929 1066833217 /nfs/dbraw/zinc/83/32/17/1066833217.db2.gz SNDAUBGYGDJJIC-KGONEIDKSA-N -1 1 731.362 4.737 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409059931 1066833347 /nfs/dbraw/zinc/83/33/47/1066833347.db2.gz SNDAUBGYGDJJIC-LWRBDHNKSA-N -1 1 731.362 4.737 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409060229 1066832858 /nfs/dbraw/zinc/83/28/58/1066832858.db2.gz ZWMGEENTZILEGO-FFMVHGEESA-N -1 1 689.753 4.533 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409060231 1066832805 /nfs/dbraw/zinc/83/28/05/1066832805.db2.gz ZWMGEENTZILEGO-RTXJXEIKSA-N -1 1 689.753 4.533 40 0 KJABMM CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409061159 1066832308 /nfs/dbraw/zinc/83/23/08/1066832308.db2.gz WJEIUGPJGBVFHU-KHVWPYCOSA-N -1 1 673.754 4.913 40 0 KJABMM CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409061160 1066317148 /nfs/dbraw/zinc/31/71/48/1066317148.db2.gz WJEIUGPJGBVFHU-KYSILRCISA-N -1 1 673.754 4.913 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409061320 1066831795 /nfs/dbraw/zinc/83/17/95/1066831795.db2.gz ZEYXMWSVTBZNNS-FNUHDPNESA-N -1 1 683.362 4.660 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(Br)cc(I)c3[O-])sc2=N1 ZINC000409061323 1066831850 /nfs/dbraw/zinc/83/18/50/1066831850.db2.gz ZEYXMWSVTBZNNS-PZDOZLBDSA-N -1 1 683.362 4.660 40 0 KJABMM COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n21 ZINC000409074534 1066837121 /nfs/dbraw/zinc/83/71/21/1066837121.db2.gz VFMOBHGFIPXZEI-HUHAETNCSA-N -1 1 703.780 4.922 40 0 KJABMM COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n21 ZINC000409074537 1066317224 /nfs/dbraw/zinc/31/72/24/1066317224.db2.gz VFMOBHGFIPXZEI-YMAYPHAPSA-N -1 1 703.780 4.922 40 0 KJABMM COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000409074806 1066837340 /nfs/dbraw/zinc/83/73/40/1066837340.db2.gz RUSJUBGRZHFGCU-VZUCSPMQSA-N -1 1 502.546 4.677 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409075742 1066836099 /nfs/dbraw/zinc/83/60/99/1066836099.db2.gz ZYXGCNRHQFIVLX-FFMVHGEESA-N -1 1 734.204 4.642 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409075743 1066836147 /nfs/dbraw/zinc/83/61/47/1066836147.db2.gz ZYXGCNRHQFIVLX-RTXJXEIKSA-N -1 1 734.204 4.642 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409077400 1066317863 /nfs/dbraw/zinc/31/78/63/1066317863.db2.gz DLXGXUNFBJUJCS-KHVWPYCOSA-N -1 1 689.753 4.533 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409077402 1066317927 /nfs/dbraw/zinc/31/79/27/1066317927.db2.gz DLXGXUNFBJUJCS-KYSILRCISA-N -1 1 689.753 4.533 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409081573 1066319843 /nfs/dbraw/zinc/31/98/43/1066319843.db2.gz QATRRXRBLWDKCZ-NCBZSOBPSA-N -1 1 733.806 4.932 40 0 KJABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409081575 1066854823 /nfs/dbraw/zinc/85/48/23/1066854823.db2.gz QATRRXRBLWDKCZ-WXXWBPKISA-N -1 1 733.806 4.932 40 0 KJABMM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409083738 1066853043 /nfs/dbraw/zinc/85/30/43/1066853043.db2.gz VQFCIGJYOUCZIY-JGTYQCAFSA-N -1 1 657.917 4.846 40 0 KJABMM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Cl)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409083746 1066853103 /nfs/dbraw/zinc/85/31/03/1066853103.db2.gz VQFCIGJYOUCZIY-LYRGBEMXSA-N -1 1 657.917 4.846 40 0 KJABMM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409085987 1066851201 /nfs/dbraw/zinc/85/12/01/1066851201.db2.gz UGMBGVMJSXBBCN-JGTYQCAFSA-N -1 1 702.368 4.955 40 0 KJABMM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409085990 1066851172 /nfs/dbraw/zinc/85/11/72/1066851172.db2.gz UGMBGVMJSXBBCN-LYRGBEMXSA-N -1 1 702.368 4.955 40 0 KJABMM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c([O-])c(Br)c3Br)C2=O)cc1 ZINC000409086267 1066850629 /nfs/dbraw/zinc/85/06/29/1066850629.db2.gz GQSMUIRSHAEWMX-OQLLNIDSSA-N -1 1 586.258 5.000 40 0 KJABMM COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n21 ZINC000409086979 1066850042 /nfs/dbraw/zinc/85/00/42/1066850042.db2.gz ICVXFAYFPWLPKH-KBXFHMSTSA-N -1 1 657.568 4.506 40 0 KJABMM COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n21 ZINC000409086981 1066850181 /nfs/dbraw/zinc/85/01/81/1066850181.db2.gz ICVXFAYFPWLPKH-WCNLKWBDSA-N -1 1 657.568 4.506 40 0 KJABMM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409091485 1066864610 /nfs/dbraw/zinc/86/46/10/1066864610.db2.gz QUMLBVNUDMQXPD-JGTYQCAFSA-N -1 1 749.368 4.797 40 0 KJABMM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)cc(I)c4[O-])c(=O)n32)cc1 ZINC000409091487 1066864844 /nfs/dbraw/zinc/86/48/44/1066864844.db2.gz QUMLBVNUDMQXPD-LYRGBEMXSA-N -1 1 749.368 4.797 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409092051 1066863983 /nfs/dbraw/zinc/86/39/83/1066863983.db2.gz XGAKKICIKJPHKL-FAUWUSJQSA-N -1 1 685.578 4.618 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409092055 1066864089 /nfs/dbraw/zinc/86/40/89/1066864089.db2.gz XGAKKICIKJPHKL-YXFINDDBSA-N -1 1 685.578 4.618 40 0 KJABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409092162 1066863880 /nfs/dbraw/zinc/86/38/80/1066863880.db2.gz VYOYMWDNTUABCY-KRYRSDKMSA-N -1 1 752.463 4.889 40 0 KJABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409092163 1066864014 /nfs/dbraw/zinc/86/40/14/1066864014.db2.gz VYOYMWDNTUABCY-LPMBFVOQSA-N -1 1 752.463 4.889 40 0 KJABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409094100 1066320977 /nfs/dbraw/zinc/32/09/77/1066320977.db2.gz CTVSHBLIMJJHHP-CMYPOMNDSA-N -1 1 722.437 4.880 40 0 KJABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409094103 1066861760 /nfs/dbraw/zinc/86/17/60/1066861760.db2.gz CTVSHBLIMJJHHP-ZVYKEMNCSA-N -1 1 722.437 4.880 40 0 KJABMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)n1 ZINC000409095669 1066859392 /nfs/dbraw/zinc/85/93/92/1066859392.db2.gz IBCMDPOKBSPTAY-MEVAHUFZSA-N -1 1 599.669 4.561 40 0 KJABMM Cc1cc(=O)[n-]c(Sc2ccc(C=c3sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)n1 ZINC000409095675 1066859535 /nfs/dbraw/zinc/85/95/35/1066859535.db2.gz IBCMDPOKBSPTAY-MTIYOZEWSA-N -1 1 599.669 4.561 40 0 KJABMM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409096217 1066858212 /nfs/dbraw/zinc/85/82/12/1066858212.db2.gz JEQJUQXAAVXDNC-MRCZTLKWSA-N -1 1 686.797 4.830 40 0 KJABMM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409096221 1066858189 /nfs/dbraw/zinc/85/81/89/1066858189.db2.gz JEQJUQXAAVXDNC-ZNQKWNQWSA-N -1 1 686.797 4.830 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000409096261 1066858333 /nfs/dbraw/zinc/85/83/33/1066858333.db2.gz JYJALTSSOCBBPS-IUDBDROBSA-N -1 1 640.743 4.883 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000409096270 1066858149 /nfs/dbraw/zinc/85/81/49/1066858149.db2.gz JYJALTSSOCBBPS-YONSCEMOSA-N -1 1 640.743 4.883 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409096857 1066856514 /nfs/dbraw/zinc/85/65/14/1066856514.db2.gz KVJBKUOGYQQSKK-JRXNCPAPSA-N -1 1 671.595 4.898 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)c(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409096862 1066855998 /nfs/dbraw/zinc/85/59/98/1066855998.db2.gz KVJBKUOGYQQSKK-ZBXXMNEPSA-N -1 1 671.595 4.898 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409097339 1066879203 /nfs/dbraw/zinc/87/92/03/1066879203.db2.gz LZQDKHBHVZFMJQ-DPUDNOKTSA-N -1 1 671.595 4.898 40 0 KJABMM CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[n-]4)o3)sc2=N1 ZINC000409097347 1066879274 /nfs/dbraw/zinc/87/92/74/1066879274.db2.gz LZQDKHBHVZFMJQ-GNHCGYKESA-N -1 1 671.595 4.898 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409097655 1066878722 /nfs/dbraw/zinc/87/87/22/1066878722.db2.gz NRNBTWSYLXHVOZ-BEOTVBTESA-N -1 1 719.595 4.975 40 0 KJABMM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409097658 1066878698 /nfs/dbraw/zinc/87/86/98/1066878698.db2.gz NRNBTWSYLXHVOZ-ZGWHGSPESA-N -1 1 719.595 4.975 40 0 KJABMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[n-]4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409099149 1066875997 /nfs/dbraw/zinc/87/59/97/1066875997.db2.gz SGYWWDVWLDPTNZ-GSERBOKHSA-N -1 1 659.609 4.831 40 0 KJABMM 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O=C1NC(=Cc2cc(Br)cc(I)c2[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000409173708 1066939768 /nfs/dbraw/zinc/93/97/68/1066939768.db2.gz QMTYWPMGEYVVER-MLPAPPSSSA-N -1 1 519.520 4.510 40 0 KJABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409174233 1066939439 /nfs/dbraw/zinc/93/94/39/1066939439.db2.gz UDKIALBSYKENQI-UHFFFAOYSA-N -1 1 632.091 4.885 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c2cccc(Cl)c2)cc1 ZINC000409174645 1066939026 /nfs/dbraw/zinc/93/90/26/1066939026.db2.gz WGJQANQCNQTCKQ-UHFFFAOYSA-N -1 1 586.091 4.983 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409174824 1066938621 /nfs/dbraw/zinc/93/86/21/1066938621.db2.gz VSUHNNVBYKJEIQ-UHFFFAOYSA-N -1 1 655.751 4.664 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1 ZINC000409175218 1066938692 /nfs/dbraw/zinc/93/86/92/1066938692.db2.gz XXGYONZMWROSLQ-UHFFFAOYSA-N -1 1 625.700 4.849 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409176564 1066937891 /nfs/dbraw/zinc/93/78/91/1066937891.db2.gz REVLGSRNCTXACP-UHFFFAOYSA-N -1 1 669.778 4.973 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2ccc(F)cc2)cc1OC ZINC000409177471 1066949420 /nfs/dbraw/zinc/94/94/20/1066949420.db2.gz BCKYLAZZQXAXQR-UHFFFAOYSA-N -1 1 613.689 4.786 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2ccc(F)cc2)cc1OC ZINC000409177863 1066949405 /nfs/dbraw/zinc/94/94/05/1066949405.db2.gz IEOBUHSPVBHDEX-UHFFFAOYSA-N -1 1 613.689 4.786 40 0 KJABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409179607 1066948210 /nfs/dbraw/zinc/94/82/10/1066948210.db2.gz RWRLXIZXMLIFLA-UHFFFAOYSA-N -1 1 655.751 4.664 40 0 KJABMM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)cc1 ZINC000409179835 1066948086 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HUMVOKMYBNQOCM-AWNIVKPZSA-N -1 1 560.195 4.740 40 0 KJABMM CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000409231537 1066977799 /nfs/dbraw/zinc/97/77/99/1066977799.db2.gz LBROAOAKDXAIDR-RIYZIHGNSA-N -1 1 510.182 4.717 40 0 KJABMM CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409235984 1066975505 /nfs/dbraw/zinc/97/55/05/1066975505.db2.gz QZHSIUYIIHBBAM-RIYZIHGNSA-N -1 1 510.182 4.717 40 0 KJABMM O=C(CN1C(=O)S/C(=C/c2cc(I)cc(I)c2[O-])C1=O)Nc1ccccc1Cl ZINC000409236503 1066974527 /nfs/dbraw/zinc/97/45/27/1066974527.db2.gz SLHQQQDLOSDRSA-MKMNVTDBSA-N -1 1 640.624 4.930 40 0 KJABMM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c([O-])c(Br)c3Br)C2=O)cc1 ZINC000409237294 1066974068 /nfs/dbraw/zinc/97/40/68/1066974068.db2.gz HUBQABYPKFUFRY-RIYZIHGNSA-N -1 1 572.231 4.609 40 0 KJABMM COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409241645 1066981571 /nfs/dbraw/zinc/98/15/71/1066981571.db2.gz KYXWQAAYVVGEFB-IZZDOVSWSA-N -1 1 502.546 4.677 40 0 KJABMM O=C(CN1C(=O)S/C(=C\c2cc(I)cc(I)c2[O-])C1=O)Nc1ccc(I)cc1 ZINC000409248534 1066986337 /nfs/dbraw/zinc/98/63/37/1066986337.db2.gz DOKLZSDUPKKSHD-NSIKDUERSA-N -1 1 732.075 4.881 40 0 KJABMM O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O)Nc1ccccc1Cl ZINC000409250307 1066985031 /nfs/dbraw/zinc/98/50/31/1066985031.db2.gz NBADGDRSAROCFJ-MKMNVTDBSA-N -1 1 549.173 4.979 40 0 KJABMM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(I)cc(I)c3[O-])C2=O)cc1 ZINC000409254085 1066405388 /nfs/dbraw/zinc/40/53/88/1066405388.db2.gz HOONENRPKGSVBB-CHHVJCJISA-N -1 1 620.206 4.585 40 0 KJABMM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)cc(I)c3[O-])C2=O)cc1 ZINC000409265907 1066995609 /nfs/dbraw/zinc/99/56/09/1066995609.db2.gz WUFWVFPBNIFVKD-CHHVJCJISA-N -1 1 573.206 4.743 40 0 KJABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000409329523 1067054718 /nfs/dbraw/zinc/05/47/18/1067054718.db2.gz FDNVHQSUSFQXJF-UHFFFAOYSA-N -1 1 561.991 4.808 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409331679 1067053745 /nfs/dbraw/zinc/05/37/45/1067053745.db2.gz OWWJKWNKBRVAOV-UHFFFAOYSA-N -1 1 583.663 4.778 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000409332152 1067053385 /nfs/dbraw/zinc/05/33/85/1067053385.db2.gz QFKOQAFCVDKFEN-UHFFFAOYSA-N -1 1 535.647 4.873 40 0 KJABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409334258 1067051959 /nfs/dbraw/zinc/05/19/59/1067051959.db2.gz WLDBAFFVFPMQJH-UHFFFAOYSA-N -1 1 583.663 4.778 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000409339215 1067063358 /nfs/dbraw/zinc/06/33/58/1067063358.db2.gz FSMGOLRYTWTKGL-UHFFFAOYSA-N -1 1 604.921 4.721 40 0 KJABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O)Nc1ccccc1Br ZINC000409340075 1067062883 /nfs/dbraw/zinc/06/28/83/1067062883.db2.gz QARXSQQZXZODIU-OVCLIPMQSA-N -1 1 512.179 4.592 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000409343446 1067059697 /nfs/dbraw/zinc/05/96/97/1067059697.db2.gz HDPYCRLQROKGPL-UHFFFAOYSA-N -1 1 586.091 4.567 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000409346707 1067056959 /nfs/dbraw/zinc/05/69/59/1067056959.db2.gz OFBLNYBJRVNRIC-UHFFFAOYSA-N -1 1 535.647 4.873 40 0 KJABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(I)cc3)cc2)cc1 ZINC000409349325 1067072672 /nfs/dbraw/zinc/07/26/72/1067072672.db2.gz PUZCYWGEURXODG-UHFFFAOYSA-N -1 1 520.392 4.972 40 0 KJABMM Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000409352263 1067069790 /nfs/dbraw/zinc/06/97/90/1067069790.db2.gz XLDMHUTZWCGWFT-UHFFFAOYSA-N -1 1 535.647 4.873 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2C)c1 ZINC000409368296 1067091037 /nfs/dbraw/zinc/09/10/37/1067091037.db2.gz XAPRQQGNKFXTAW-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2)ccc1C ZINC000409369573 1067090727 /nfs/dbraw/zinc/09/07/27/1067090727.db2.gz PNHOFOSCYBEPIG-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)c(Br)c1[O-] ZINC000409376698 1067085410 /nfs/dbraw/zinc/08/54/10/1067085410.db2.gz CUCOEVWMZPKONG-SXGWCWSVSA-N -1 1 582.270 4.547 40 0 KJABMM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)c(Br)c1[O-] ZINC000409379240 1067091367 /nfs/dbraw/zinc/09/13/67/1067091367.db2.gz WBJRJQQAHHEFSW-YVLHZVERSA-N -1 1 596.297 4.937 40 0 KJABMM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1[O-] ZINC000409385967 1067095155 /nfs/dbraw/zinc/09/51/55/1067095155.db2.gz MVIOXTKLOBYXNV-NTUHNPAUSA-N -1 1 561.204 4.932 40 0 KJABMM COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c([O-])c(Br)c3Br)C2=O)o1 ZINC000409390913 1067106265 /nfs/dbraw/zinc/10/62/65/1067106265.db2.gz YIGNIHSFHHYLBB-WUXMJOGZSA-N -1 1 547.177 4.542 40 0 KJABMM CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(Br)c(Br)c1[O-] ZINC000409392937 1067105749 /nfs/dbraw/zinc/10/57/49/1067105749.db2.gz OJMBUDSGNWMHBI-NVNXTCNLSA-N -1 1 524.234 4.703 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2C)c1 ZINC000409407781 1067137274 /nfs/dbraw/zinc/13/72/74/1067137274.db2.gz HQZCOBCMDZMIEG-UHFFFAOYSA-N -1 1 541.695 4.921 40 0 KJABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)cc2)cc1OC ZINC000409407800 1067137219 /nfs/dbraw/zinc/13/72/19/1067137219.db2.gz AAVYORJNTKDPOY-UHFFFAOYSA-N -1 1 595.699 4.890 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1Cl ZINC000409407852 1066369989 /nfs/dbraw/zinc/36/99/89/1066369989.db2.gz AKYCYHQGYSYMET-UHFFFAOYSA-N -1 1 607.335 4.961 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1Cl ZINC000409408205 1067136762 /nfs/dbraw/zinc/13/67/62/1067136762.db2.gz JHVZOZCRIURATC-UHFFFAOYSA-N -1 1 531.837 4.713 40 0 KJABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(I)cc1 ZINC000409408378 1067136748 /nfs/dbraw/zinc/13/67/48/1067136748.db2.gz CDTICWKPPCONCD-UHFFFAOYSA-N -1 1 512.756 4.998 40 0 KJABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000409408782 1067136061 /nfs/dbraw/zinc/13/60/61/1067136061.db2.gz LPMNWSGRSGYGES-UHFFFAOYSA-N -1 1 560.456 4.646 40 0 KJABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)cc1 ZINC000409408865 1067135545 /nfs/dbraw/zinc/13/55/45/1067135545.db2.gz DRXGPGSHFDJWFX-UHFFFAOYSA-N -1 1 527.668 4.613 40 0 KJABMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c2ccc(F)cc2)cc1 ZINC000409408950 1066370017 /nfs/dbraw/zinc/37/00/17/1066370017.db2.gz FHYSNGSRXLPOIS-UHFFFAOYSA-N -1 1 583.663 4.778 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c1 ZINC000409409033 1067135562 /nfs/dbraw/zinc/13/55/62/1067135562.db2.gz FXYSKRFTMZNSNZ-UHFFFAOYSA-N -1 1 506.365 4.961 40 0 KJABMM Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)ccc1Br ZINC000409410089 1067133620 /nfs/dbraw/zinc/13/36/20/1067133620.db2.gz TVUJEDBWSUCOLI-UHFFFAOYSA-N -1 1 600.944 4.925 40 0 KJABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409410240 1067133216 /nfs/dbraw/zinc/13/32/16/1067133216.db2.gz LRJCCNLARPJLEF-HNNXBMFYSA-N -1 1 576.018 4.953 40 0 KJABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409410242 1067133029 /nfs/dbraw/zinc/13/30/29/1067133029.db2.gz LRJCCNLARPJLEF-OAHLLOKOSA-N -1 1 576.018 4.953 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409410245 1067133091 /nfs/dbraw/zinc/13/30/91/1067133091.db2.gz UHKJBKCMDGDSCV-UHFFFAOYSA-N -1 1 527.668 4.613 40 0 KJABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409410279 1067133583 /nfs/dbraw/zinc/13/35/83/1067133583.db2.gz UTCCRCXPASZLPN-UHFFFAOYSA-N -1 1 583.663 4.859 40 0 KJABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2C)c1 ZINC000409410326 1067133060 /nfs/dbraw/zinc/13/30/60/1067133060.db2.gz VHXUVCUXSQKBLG-UHFFFAOYSA-N -1 1 541.695 4.840 40 0 KJABMM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000409410463 1067133180 /nfs/dbraw/zinc/13/31/80/1067133180.db2.gz XIEHLLNJOKDYLG-GOSISDBHSA-N -1 1 580.526 4.660 40 0 KJABMM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000409410465 1067133047 /nfs/dbraw/zinc/13/30/47/1067133047.db2.gz XIEHLLNJOKDYLG-SFHVURJKSA-N -1 1 580.526 4.660 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2C)c1 ZINC000409410547 1067133136 /nfs/dbraw/zinc/13/31/36/1067133136.db2.gz NVCNFPBFUYHYGP-UHFFFAOYSA-N -1 1 503.580 4.880 40 0 KJABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000409410925 1067132529 /nfs/dbraw/zinc/13/25/29/1067132529.db2.gz APVGLCNXVLUYPH-UHFFFAOYSA-N -1 1 529.684 4.695 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)c(Cl)c1 ZINC000409411006 1066369141 /nfs/dbraw/zinc/36/91/41/1066369141.db2.gz SEROGSNNPHOVOG-UHFFFAOYSA-N -1 1 579.981 4.703 40 0 KJABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1I ZINC000409411143 1066369077 /nfs/dbraw/zinc/36/90/77/1066369077.db2.gz DDXHSWHGOSGHEO-UHFFFAOYSA-N -1 1 502.555 4.517 40 0 KJABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1C ZINC000409411254 1067131745 /nfs/dbraw/zinc/13/17/45/1067131745.db2.gz VGSPNYOMEWVXOU-GOSISDBHSA-N -1 1 580.526 4.660 40 0 KJABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1C ZINC000409411255 1066369244 /nfs/dbraw/zinc/36/92/44/1066369244.db2.gz VGSPNYOMEWVXOU-SFHVURJKSA-N -1 1 580.526 4.660 40 0 KJABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409411485 1067131598 /nfs/dbraw/zinc/13/15/98/1067131598.db2.gz XMTCPXKZASDFEG-HNNXBMFYSA-N -1 1 542.466 4.587 40 0 KJABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409411486 1067131731 /nfs/dbraw/zinc/13/17/31/1067131731.db2.gz XMTCPXKZASDFEG-OAHLLOKOSA-N -1 1 542.466 4.587 40 0 KJABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000409411726 1067130954 /nfs/dbraw/zinc/13/09/54/1067130954.db2.gz KNRXUTZPEPFWBJ-UHFFFAOYSA-N -1 1 529.684 4.695 40 0 KJABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2C)c1 ZINC000409411727 1067131161 /nfs/dbraw/zinc/13/11/61/1067131161.db2.gz KOAKAYDOMSEWOA-UHFFFAOYSA-N -1 1 527.668 4.531 40 0 KJABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000409411760 1067131068 /nfs/dbraw/zinc/13/10/68/1067131068.db2.gz ZNUOXKCESMDIGV-UHFFFAOYSA-N -1 1 580.526 4.580 40 0 KJABMM Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)ccc1Br ZINC000409411823 1066369111 /nfs/dbraw/zinc/36/91/11/1066369111.db2.gz LQRWKTJRWMEUFH-UHFFFAOYSA-N -1 1 600.944 4.925 40 0 KJABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1C ZINC000409411944 1067130392 /nfs/dbraw/zinc/13/03/92/1067130392.db2.gz NZUSAXUYOABEBY-IBGZPJMESA-N -1 1 550.102 4.859 40 0 KJABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1C ZINC000409411945 1067130332 /nfs/dbraw/zinc/13/03/32/1067130332.db2.gz NZUSAXUYOABEBY-LJQANCHMSA-N -1 1 550.102 4.859 40 0 KJABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(F)c(Cl)c1 ZINC000409412024 1067130413 /nfs/dbraw/zinc/13/04/13/1067130413.db2.gz QBMPBCVMOGIKAF-UHFFFAOYSA-N -1 1 562.044 4.838 40 0 KJABMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)cc1OC ZINC000409412099 1067130232 /nfs/dbraw/zinc/13/02/32/1067130232.db2.gz RDOVMUDZPLTBOB-UHFFFAOYSA-N -1 1 581.672 4.582 40 0 KJABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409412175 1067130373 /nfs/dbraw/zinc/13/03/73/1067130373.db2.gz SOLOHJBFKUPXAY-UHFFFAOYSA-N -1 1 521.620 4.849 40 0 KJABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000409412390 1067129632 /nfs/dbraw/zinc/12/96/32/1067129632.db2.gz VWNCQQBCABZQNB-UHFFFAOYSA-N -1 1 529.684 4.695 40 0 KJABMM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000409412640 1067129703 /nfs/dbraw/zinc/12/97/03/1067129703.db2.gz YWVLAFAUISVXRI-UHFFFAOYSA-N -1 1 567.645 4.558 40 0 KJABMM O=S(=O)([N-]c1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(Br)ccc2Br)cc1)c1cc(Br)ccc1Br ZINC000575424983 1066467419 /nfs/dbraw/zinc/46/74/19/1066467419.db2.gz WNUMEHUDBHHLKA-PMACEKPBSA-N -1 1 838.210 4.891 40 0 KJABMM O=S(=O)([N-]c1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(Br)ccc2Br)cc1)c1cc(Br)ccc1Br ZINC000575424984 1066467433 /nfs/dbraw/zinc/46/74/33/1066467433.db2.gz WNUMEHUDBHHLKA-UXHICEINSA-N -1 1 838.210 4.891 40 0 KJABMM O=S(=O)([N-]c1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(Br)ccc2Br)cc1)c1cc(Br)ccc1Br ZINC000575424985 1066467297 /nfs/dbraw/zinc/46/72/97/1066467297.db2.gz WNUMEHUDBHHLKA-VQTJNVASSA-N -1 1 838.210 4.891 40 0 KJABMM O=S(=O)([N-]c1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(Br)ccc2Br)cc1)c1cc(Br)ccc1Br ZINC000575424987 1066467455 /nfs/dbraw/zinc/46/74/55/1066467455.db2.gz WNUMEHUDBHHLKA-WOJBJXKFSA-N -1 1 838.210 4.891 40 0 KJABMM CCc1cc2c(ncnc2-n2nc(C)c3c2C=C2Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]2(C)C3=O)s1 ZINC001547138361 1067201291 /nfs/dbraw/zinc/20/12/91/1067201291.db2.gz JICFUPLADRXEBC-SANMLTNESA-N -1 1 502.552 4.558 40 0 KJABMM COc1ccc2nc(-n3nc(C)c4c3C=C3Oc5c(c([O-])c(C)c(O)c5C(C)=O)[C@@]3(C)C4=O)sc2c1 ZINC001547138432 1067201607 /nfs/dbraw/zinc/20/16/07/1067201607.db2.gz AOXWSGNFVWSQIZ-SANMLTNESA-N -1 1 503.536 4.609 40 0 KJABMM [NH3+]C(Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC001560411763 1067206346 /nfs/dbraw/zinc/20/63/46/1067206346.db2.gz XAODYIMCDNMDAM-UHFFFAOYSA-N -1 1 775.864 4.721 40 0 KJABMM