smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc(I)c1[O-] ZINC000000683403 551524993 /nfs/dbraw/zinc/52/49/93/551524993.db2.gz RDJVJFFMAGJTOC-INIZCTEOSA-N -1 3 573.210 4.845 40 0 KJABHM COc1cc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc(I)c1[O-] ZINC000000683639 551524974 /nfs/dbraw/zinc/52/49/74/551524974.db2.gz RDJVJFFMAGJTOC-MRXNPFEDSA-N -1 3 573.210 4.845 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)cc2)cc1 ZINC000000805471 551543405 /nfs/dbraw/zinc/54/34/05/551543405.db2.gz KSAOHTKQAUTTHP-UHFFFAOYSA-N -1 3 524.620 4.972 40 0 KJABHM O=C(CSCc1nc2c(nnn2Cc2ccccc2Cl)c(=O)[n-]1)Nc1ccccc1C(F)(F)F ZINC000001221419 551627987 /nfs/dbraw/zinc/62/79/87/551627987.db2.gz MGLGATAPAOMZHS-UHFFFAOYSA-N -1 3 508.913 4.519 40 0 KJABHM Cc1ccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000001238062 551629917 /nfs/dbraw/zinc/62/99/17/551629917.db2.gz MLHSJOHGVXPNNX-UHFFFAOYSA-N -1 3 512.401 4.590 40 0 KJABHM O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000001324451 551642277 /nfs/dbraw/zinc/64/22/77/551642277.db2.gz DQGQOFCIEBWJKN-UHFFFAOYSA-N -1 3 531.926 4.647 40 0 KJABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC2)[n-]c3=O)c1 ZINC000001324523 551642159 /nfs/dbraw/zinc/64/21/59/551642159.db2.gz DLOKKBKGQNTYKI-UHFFFAOYSA-N -1 3 525.535 4.610 40 0 KJABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC2)[n-]c3=O)c1 ZINC000001324526 551642224 /nfs/dbraw/zinc/64/22/24/551642224.db2.gz LFSBRLQLLUOPNH-UHFFFAOYSA-N -1 3 518.621 4.867 40 0 KJABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC2)[n-]c3=O)cc1 ZINC000001324606 551642555 /nfs/dbraw/zinc/64/25/55/551642555.db2.gz FDBBIMWWLGFLCC-UHFFFAOYSA-N -1 3 504.594 4.558 40 0 KJABHM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)C2)cc1 ZINC000001352128 551647256 /nfs/dbraw/zinc/64/72/56/551647256.db2.gz VMXKSIGBIDFGRC-LJQANCHMSA-N -1 3 505.022 4.534 40 0 KJABHM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)C2)cc1 ZINC000001352132 551647263 /nfs/dbraw/zinc/64/72/63/551647263.db2.gz VMXKSIGBIDFGRC-IBGZPJMESA-N -1 3 505.022 4.534 40 0 KJABHM O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nc3c(nnn3Cc3c(F)cccc3Cl)c(=O)[n-]2)CC1 ZINC000001355329 551647654 /nfs/dbraw/zinc/64/76/54/551647654.db2.gz MHRXFVNWATWWHE-UHFFFAOYSA-N -1 3 549.916 4.786 40 0 KJABHM O=C(CSCc1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[n-]1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000001361243 551648151 /nfs/dbraw/zinc/64/81/51/551648151.db2.gz XTGCLYZBIKNPSY-UHFFFAOYSA-N -1 3 527.796 4.946 40 0 KJABHM O=c1cc(CSc2c(-c3ccccc3)c(=O)n(-c3ccccc3)c(=S)n2-c2ccccc2)[nH]c(=O)[n-]1 ZINC000001651735 551688073 /nfs/dbraw/zinc/68/80/73/551688073.db2.gz HNJWTEZOJDFAKX-UHFFFAOYSA-N -1 3 512.616 4.694 40 0 KJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001874267 551721176 /nfs/dbraw/zinc/72/11/76/551721176.db2.gz RLZDRXPLIPXJAK-PKTNWEFCSA-N -1 3 556.596 4.514 40 0 KJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000002198761 551792235 /nfs/dbraw/zinc/79/22/35/551792235.db2.gz PZOAVUVOTVTTCY-KCHLEUMXSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002333877 552096544 /nfs/dbraw/zinc/09/65/44/552096544.db2.gz XPIBMGMTTNTAFQ-IARZGTGTSA-N -1 3 540.597 4.814 40 0 KJABHM O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000002396072 552110191 /nfs/dbraw/zinc/11/01/91/552110191.db2.gz LCXZCSHRMYPTQK-ACRUOGEOSA-N -1 3 521.957 4.743 40 0 KJABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000002405464 552112256 /nfs/dbraw/zinc/11/22/56/552112256.db2.gz YOQWWPKGYIQFCM-IARZGTGTSA-N -1 3 520.541 4.966 40 0 KJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)c1 ZINC000002411510 552113751 /nfs/dbraw/zinc/11/37/51/552113751.db2.gz AYBMZNQKYRKQDE-IARZGTGTSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000002414751 552114527 /nfs/dbraw/zinc/11/45/27/552114527.db2.gz IRHSOAZMWCCHOB-KCHLEUMXSA-N -1 3 540.597 4.814 40 0 KJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000002417538 552115133 /nfs/dbraw/zinc/11/51/33/552115133.db2.gz JAFRYOZMXQRUJI-IARZGTGTSA-N -1 3 520.541 4.966 40 0 KJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000002437268 552118969 /nfs/dbraw/zinc/11/89/69/552118969.db2.gz WVIQMLLJZZBOCT-KCHLEUMXSA-N -1 3 540.597 4.814 40 0 KJABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000002450515 552123051 /nfs/dbraw/zinc/12/30/51/552123051.db2.gz LIBDXMDOAPMSDR-VXNXHJTFSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Br)ccc1OC ZINC000002451827 552123727 /nfs/dbraw/zinc/12/37/27/552123727.db2.gz JTIRNWDGRKBKGI-HJOGWXRNSA-N -1 3 523.383 4.908 40 0 KJABHM CCCCN(CCCC)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000003812143 552418567 /nfs/dbraw/zinc/41/85/67/552418567.db2.gz MOTJMGVDPWRKOC-MXSCXNJPSA-N -1 3 510.631 4.694 40 0 in-vitro KJABHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccc(Cl)cc1 ZINC000003849274 552420557 /nfs/dbraw/zinc/42/05/57/552420557.db2.gz HXALQJUHXQXEMW-FPOVZHCZSA-N -1 3 508.759 4.720 40 0 KJABHM O=C(c1ccc(-c2ccccc2)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N-]S(=O)(=O)c3cccs3)ccc12 ZINC000004150078 291880890 /nfs/dbraw/zinc/88/08/90/291880890.db2.gz YFZAZNUUTDEZJN-WMZHIEFXSA-N -1 3 531.659 4.637 40 0 biogenic,in-vitro KJABHM CC1(C)O[C@H]2[C@@H](O1)[C@@H](n1cnc3c1nc[n-]c3=O)O[C@H]2COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004552168 552466889 /nfs/dbraw/zinc/46/68/89/552466889.db2.gz KCWRKFVKIDINBP-PZWXIZEVSA-N -1 3 550.615 4.546 40 0 KJABHM CC1(C)O[C@H]2[C@H](n3cnc4c3nc[n-]c4=O)O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000005917916 552511733 /nfs/dbraw/zinc/51/17/33/552511733.db2.gz KCWRKFVKIDINBP-XLTXWFIOSA-N -1 3 550.615 4.546 40 0 KJABHM CC1(C)O[C@H]2[C@H](n3cnc4c3nc[n-]c4=O)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000005917924 552511809 /nfs/dbraw/zinc/51/18/09/552511809.db2.gz KCWRKFVKIDINBP-PDYFWAJUSA-N -1 3 550.615 4.546 40 0 KJABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4cccc5ccccc54)CC2)[n-]c3=O)cc1 ZINC000006161782 552554311 /nfs/dbraw/zinc/55/43/11/552554311.db2.gz KXQZWMGITOSIEC-UHFFFAOYSA-N -1 3 556.692 4.582 40 0 KJABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc5ccccc5c4)CC2)[n-]c3=O)cc1 ZINC000006161783 552554683 /nfs/dbraw/zinc/55/46/83/552554683.db2.gz RHIGJXJXBZGHGT-UHFFFAOYSA-N -1 3 556.692 4.582 40 0 KJABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)nc2c1nnn2Cc1c(Cl)cccc1Cl ZINC000006161814 552554619 /nfs/dbraw/zinc/55/46/19/552554619.db2.gz WWTWHHZLISPXGD-UHFFFAOYSA-N -1 3 569.474 4.591 40 0 KJABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)nc2c1nnn2Cc1ccc(Cl)cc1Cl ZINC000006161817 552554691 /nfs/dbraw/zinc/55/46/91/552554691.db2.gz WGVZORYLLXCDHE-UHFFFAOYSA-N -1 3 569.474 4.591 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000008443522 553046892 /nfs/dbraw/zinc/04/68/92/553046892.db2.gz PBVBCQYWUJWNTM-DQARITGZSA-N -1 3 621.111 4.754 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000008443524 553046915 /nfs/dbraw/zinc/04/69/15/553046915.db2.gz PBVBCQYWUJWNTM-YRSDHNRQSA-N -1 3 621.111 4.754 40 0 KJABHM CC1(C)O[C@@H]2[C@@H](O1)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@@H]2n1cnc2c1nc[n-]c2=O ZINC000008618665 553102960 /nfs/dbraw/zinc/10/29/60/553102960.db2.gz KCWRKFVKIDINBP-KHJGLVBMSA-N -1 3 550.615 4.958 40 0 KJABHM CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](n3cnc4c3nc[n-]c4=O)[C@@H]2O1 ZINC000008618666 553102899 /nfs/dbraw/zinc/10/28/99/553102899.db2.gz KCWRKFVKIDINBP-KLCYUCRKSA-N -1 3 550.615 4.958 40 0 KJABHM CC1(C)O[C@@H]2[C@@H](O1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@@H]2n1cnc2c1nc[n-]c2=O ZINC000008618667 553103025 /nfs/dbraw/zinc/10/30/25/553103025.db2.gz KCWRKFVKIDINBP-ASBHYVTHSA-N -1 3 550.615 4.958 40 0 KJABHM CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3C[N-]S(=O)(=O)c2cccs2)nc(-c2ccncc2)n1 ZINC000008623021 560209827 /nfs/dbraw/zinc/20/98/27/560209827.db2.gz RJXJONPQVMRFIV-BDTNDASRSA-N -1 3 511.717 4.660 40 0 biogenic,in-vitro KJABHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000008741550 553132723 /nfs/dbraw/zinc/13/27/23/553132723.db2.gz GOSDQROTNDDOBF-SMIHKQSGSA-N -1 3 502.592 4.773 40 0 KJABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008741637 553133011 /nfs/dbraw/zinc/13/30/11/553133011.db2.gz RWJVPNNPOYZWRN-SMIHKQSGSA-N -1 3 506.942 4.576 40 0 KJABHM COc1cc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc(OC)c1OC ZINC000008835186 553161503 /nfs/dbraw/zinc/16/15/03/553161503.db2.gz GCVKGXYOVCLARB-UHFFFAOYSA-N -1 3 507.568 4.970 40 0 KJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3[O-])nc2c1 ZINC000008835202 553161435 /nfs/dbraw/zinc/16/14/35/553161435.db2.gz HGGPBAKUNQAMQC-UHFFFAOYSA-N -1 3 507.568 4.915 40 0 KJABHM Cc1ccc(C([O-])=C2[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915334 553186312 /nfs/dbraw/zinc/18/63/12/553186312.db2.gz WLHYSJSSHHCULO-RWCIVJTCSA-N -1 3 520.511 4.952 40 0 KJABHM Cc1ccc(C([O-])=C2[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915336 553186336 /nfs/dbraw/zinc/18/63/36/553186336.db2.gz WLHYSJSSHHCULO-LSCGWGKXSA-N -1 3 520.511 4.952 40 0 KJABHM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000009063052 553205252 /nfs/dbraw/zinc/20/52/52/553205252.db2.gz FRNOWGDVISTVIA-UHFFFAOYSA-N -1 3 507.656 4.964 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4cccc(C)c4)CC3)cc2)c(OC)c1 ZINC000009063056 553205215 /nfs/dbraw/zinc/20/52/15/553205215.db2.gz UVKJRQLKGACJSV-UHFFFAOYSA-N -1 3 523.655 4.664 40 0 KJABHM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000009063150 553205223 /nfs/dbraw/zinc/20/52/23/553205223.db2.gz FRZCZJNIFGFLPV-UHFFFAOYSA-N -1 3 507.656 4.964 40 0 KJABHM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000009063511 553205597 /nfs/dbraw/zinc/20/55/97/553205597.db2.gz CAIWUIUECKILJY-UHFFFAOYSA-N -1 3 511.619 4.794 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000009063516 553205539 /nfs/dbraw/zinc/20/55/39/553205539.db2.gz AJEQXLZCYSOHSY-UHFFFAOYSA-N -1 3 511.619 4.876 40 0 KJABHM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009063610 553205550 /nfs/dbraw/zinc/20/55/50/553205550.db2.gz QPFLXRUOLDIOII-UHFFFAOYSA-N -1 3 511.619 4.794 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000009158578 553215124 /nfs/dbraw/zinc/21/51/24/553215124.db2.gz MSCMGAYIEHZOGR-GVAUOCQISA-N -1 3 508.958 4.894 40 0 KJABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1sc(=O)n(-c2ccccc2)c1Cl ZINC000009191358 553218608 /nfs/dbraw/zinc/21/86/08/553218608.db2.gz YFLRBLNXCVATHI-BDTNDASRSA-N -1 3 517.994 4.912 40 0 KJABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1sc(=O)n(-c2ccccc2)c1Cl ZINC000009191362 553218618 /nfs/dbraw/zinc/21/86/18/553218618.db2.gz YFLRBLNXCVATHI-FKBYEOEOSA-N -1 3 517.994 4.912 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000009232700 553223890 /nfs/dbraw/zinc/22/38/90/553223890.db2.gz DQBHENFMJQEKBL-OASJLCFRSA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009235058 553225166 /nfs/dbraw/zinc/22/51/66/553225166.db2.gz YQHMCXNPSUVVDG-SLQPCKNISA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000009281041 553233035 /nfs/dbraw/zinc/23/30/35/553233035.db2.gz USMLGOCMAVDZAG-VJGNERBWSA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000009291437 553234697 /nfs/dbraw/zinc/23/46/97/553234697.db2.gz MFMQLAJBLUGMMX-GSDHBNRESA-N -1 3 516.550 4.623 40 0 KJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000009332668 553242906 /nfs/dbraw/zinc/24/29/06/553242906.db2.gz SLFHHAKBDIOKSZ-FKBYEOEOSA-N -1 3 517.994 4.912 40 0 KJABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000009346428 553244414 /nfs/dbraw/zinc/24/44/14/553244414.db2.gz LQOZLPOWRIIDBC-ZRBLBEILSA-N -1 3 509.356 4.517 40 0 KJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2sc(=O)n(-c3ccccc3)c2Cl)c1 ZINC000009457195 553266548 /nfs/dbraw/zinc/26/65/48/553266548.db2.gz OOMMYEXRWKFMJF-FSSWDIPSSA-N -1 3 517.994 4.912 40 0 KJABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000009694966 553300044 /nfs/dbraw/zinc/30/00/44/553300044.db2.gz HGKXIKDMILKXFJ-UHFFFAOYSA-N -1 3 515.838 4.845 40 0 KJABHM O=C(CCSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000009695084 553300068 /nfs/dbraw/zinc/30/00/68/553300068.db2.gz LDFINYPDLSYFOH-UHFFFAOYSA-N -1 3 503.971 4.592 40 0 KJABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c(OC)c1OC ZINC000009973434 553323277 /nfs/dbraw/zinc/32/32/77/553323277.db2.gz JYGBFUDBBHPEMF-OQLLNIDSSA-N -1 3 502.976 4.819 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)cc2)cc1 ZINC000009975153 553323441 /nfs/dbraw/zinc/32/34/41/553323441.db2.gz GXTXMPYQQVXFAM-REZTVBANSA-N -1 3 512.584 4.564 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000010314695 553333016 /nfs/dbraw/zinc/33/30/16/553333016.db2.gz OOZPZEQNSUXNIV-UHFFFAOYSA-N -1 3 529.684 4.598 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000010314878 553332919 /nfs/dbraw/zinc/33/29/19/553332919.db2.gz XAPKUHPPYIHVSX-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000010314879 553333030 /nfs/dbraw/zinc/33/30/30/553333030.db2.gz XAPKUHPPYIHVSX-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)c(OC)c1 ZINC000010315326 553333252 /nfs/dbraw/zinc/33/32/52/553333252.db2.gz JYCDNTQDCKAZOU-UHFFFAOYSA-N -1 3 509.628 4.743 40 0 KJABHM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000010329513 553333823 /nfs/dbraw/zinc/33/38/23/553333823.db2.gz ZDSJHTPIUXMHLO-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000010329514 553333797 /nfs/dbraw/zinc/33/37/97/553333797.db2.gz ZDSJHTPIUXMHLO-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)c1 ZINC000010333115 553334210 /nfs/dbraw/zinc/33/42/10/553334210.db2.gz UMZJRNAIVIRPFK-UHFFFAOYSA-N -1 3 509.628 4.743 40 0 KJABHM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000010365482 553335664 /nfs/dbraw/zinc/33/56/64/553335664.db2.gz YHENOXGWRGKYQW-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000010365489 553335643 /nfs/dbraw/zinc/33/56/43/553335643.db2.gz YHENOXGWRGKYQW-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000012017260 553349902 /nfs/dbraw/zinc/34/99/02/553349902.db2.gz GOSDQROTNDDOBF-HJOGWXRNSA-N -1 3 502.592 4.773 40 0 KJABHM Cc1ccc(C([O-])=C2[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000012377908 553361848 /nfs/dbraw/zinc/36/18/48/553361848.db2.gz WLHYSJSSHHCULO-GYZWWNDVSA-N -1 3 520.511 4.952 40 0 KJABHM Cc1ccc(C([O-])=C2[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000012377910 553361831 /nfs/dbraw/zinc/36/18/31/553361831.db2.gz WLHYSJSSHHCULO-SHQBLQIYSA-N -1 3 520.511 4.952 40 0 KJABHM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012481605 553375094 /nfs/dbraw/zinc/37/50/94/553375094.db2.gz XDARYFQLQJZGRY-VXKWHMMOSA-N -1 3 509.613 4.737 40 0 biogenic,in-vitro KJABHM O=C([O-])C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012481620 291880572 /nfs/dbraw/zinc/88/05/72/291880572.db2.gz UNFGHXRDFYVNKF-SFTDATJTSA-N -1 3 521.555 4.610 40 0 biogenic,in-vitro KJABHM O=C([O-])C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012481632 291880611 /nfs/dbraw/zinc/88/06/11/291880611.db2.gz JMIFHCGHFBMGGE-OALUTQOASA-N -1 3 509.594 4.532 40 0 biogenic,in-vitro KJABHM CCOC(=O)c1[n-]c(COC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)c(C(=O)OCC)c1C ZINC000012538717 553388255 /nfs/dbraw/zinc/38/82/55/553388255.db2.gz KDGKQTXCKIDDAL-NYRSABAFSA-N -1 3 510.425 4.844 40 0 KJABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)C(c4ccccc4)c4ccccc4)CC2)[n-]c3=O)cc1 ZINC000013083119 553445281 /nfs/dbraw/zinc/44/52/81/553445281.db2.gz KYMPCNVOTGPNRV-UHFFFAOYSA-N -1 3 518.621 4.822 40 0 KJABHM CCOc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)cc1 ZINC000013083132 553445145 /nfs/dbraw/zinc/44/51/45/553445145.db2.gz PKMVITAZGRDFIX-UHFFFAOYSA-N -1 3 514.630 4.691 40 0 KJABHM O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000013083144 553445157 /nfs/dbraw/zinc/44/51/57/553445157.db2.gz GMCLYUKKRBGFOC-UHFFFAOYSA-N -1 3 522.584 4.652 40 0 KJABHM O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000013083152 553445244 /nfs/dbraw/zinc/44/52/44/553445244.db2.gz SWRBFCXPGYMYPE-UHFFFAOYSA-N -1 3 508.557 4.801 40 0 KJABHM O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000013083158 553445219 /nfs/dbraw/zinc/44/52/19/553445219.db2.gz XWZFBKRXTAIMJO-UHFFFAOYSA-N -1 3 515.471 4.545 40 0 KJABHM O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000013083237 553445168 /nfs/dbraw/zinc/44/51/68/553445168.db2.gz OPJIQQMFASBEIJ-UHFFFAOYSA-N -1 3 504.594 4.513 40 0 KJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000013511390 553467488 /nfs/dbraw/zinc/46/74/88/553467488.db2.gz SLFHHAKBDIOKSZ-BDTNDASRSA-N -1 3 517.994 4.912 40 0 KJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2sc(=O)n(-c3ccccc3)c2Cl)c1 ZINC000013512382 553467768 /nfs/dbraw/zinc/46/77/68/553467768.db2.gz OOMMYEXRWKFMJF-VSKRKVRLSA-N -1 3 517.994 4.912 40 0 KJABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013514006 553468065 /nfs/dbraw/zinc/46/80/65/553468065.db2.gz YSHCDVHRSBXTKW-VABKMULXSA-N -1 3 509.356 4.517 40 0 KJABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC2)[n-]c3=O)cc1 ZINC000013565523 553472631 /nfs/dbraw/zinc/47/26/31/553472631.db2.gz PDZSFNKRKZESCB-UHFFFAOYSA-N -1 3 531.060 4.743 40 0 KJABHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746942 561726840 /nfs/dbraw/zinc/72/68/40/561726840.db2.gz MOTJMGVDPWRKOC-XTBZXYEFSA-N -1 3 510.631 4.694 40 0 KJABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000013759099 553488548 /nfs/dbraw/zinc/48/85/48/553488548.db2.gz YOQWWPKGYIQFCM-PKTNWEFCSA-N -1 3 520.541 4.966 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000013768493 553489189 /nfs/dbraw/zinc/48/91/89/553489189.db2.gz USMLGOCMAVDZAG-QKDODKLFSA-N -1 3 518.566 4.552 40 0 KJABHM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013768949 553489233 /nfs/dbraw/zinc/48/92/33/553489233.db2.gz XITPCMNFQGWLBM-QKDODKLFSA-N -1 3 502.567 4.934 40 0 KJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000013769437 553489201 /nfs/dbraw/zinc/48/92/01/553489201.db2.gz JAFRYOZMXQRUJI-PKTNWEFCSA-N -1 3 520.541 4.966 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000013776542 553490030 /nfs/dbraw/zinc/49/00/30/553490030.db2.gz MSCMGAYIEHZOGR-SDHOMARFSA-N -1 3 508.958 4.894 40 0 KJABHM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013776648 553490073 /nfs/dbraw/zinc/49/00/73/553490073.db2.gz BZYYLYYTEBWSRW-PVHODMMVSA-N -1 3 502.567 4.934 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000013787433 553490832 /nfs/dbraw/zinc/49/08/32/553490832.db2.gz DQBHENFMJQEKBL-DXBVXKBHSA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013787837 553490804 /nfs/dbraw/zinc/49/08/04/553490804.db2.gz YQHMCXNPSUVVDG-OBDYRVMHSA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000013810815 553492494 /nfs/dbraw/zinc/49/24/94/553492494.db2.gz MFMQLAJBLUGMMX-ZNZIZOMTSA-N -1 3 516.550 4.623 40 0 KJABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000013811493 553492668 /nfs/dbraw/zinc/49/26/68/553492668.db2.gz LQOZLPOWRIIDBC-VJBWXMMDSA-N -1 3 509.356 4.517 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)cc1C ZINC000013980889 553498784 /nfs/dbraw/zinc/49/87/84/553498784.db2.gz KSTIQFWPARSRFU-UHFFFAOYSA-N -1 3 506.365 4.961 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000013997891 553499034 /nfs/dbraw/zinc/49/90/34/553499034.db2.gz QWOCETSSQQLGGJ-UHFFFAOYSA-N -1 3 506.365 4.961 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C ZINC000014153529 553503393 /nfs/dbraw/zinc/50/33/93/553503393.db2.gz QCXRGNVBWIWVTP-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C ZINC000014153532 553503494 /nfs/dbraw/zinc/50/34/94/553503494.db2.gz QCXRGNVBWIWVTP-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)cc1C ZINC000014154951 553504761 /nfs/dbraw/zinc/50/47/61/553504761.db2.gz AVBDHDMHIKAPAR-UHFFFAOYSA-N -1 3 506.365 4.961 40 0 KJABHM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000014155211 553504934 /nfs/dbraw/zinc/50/49/34/553504934.db2.gz OUZDFCBTGMIAEN-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000014155213 553504998 /nfs/dbraw/zinc/50/49/98/553504998.db2.gz OUZDFCBTGMIAEN-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000014397943 553515049 /nfs/dbraw/zinc/51/50/49/553515049.db2.gz DVWAMINSYNEZFD-UHFFFAOYSA-N -1 3 506.411 4.883 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000014401598 553515670 /nfs/dbraw/zinc/51/56/70/553515670.db2.gz JXTOWDPWGNNOFO-UHFFFAOYSA-N -1 3 529.684 4.598 40 0 KJABHM O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2[O-])C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000015049631 553527126 /nfs/dbraw/zinc/52/71/26/553527126.db2.gz IOFCUTQJQHEBFU-CHHVJCJISA-N -1 3 501.280 4.849 40 0 KJABHM COc1cc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)cc(OC)c1OC ZINC000016284185 553558401 /nfs/dbraw/zinc/55/84/01/553558401.db2.gz CEPISHUPDWUDEN-UHFFFAOYSA-N -1 3 507.568 4.970 40 0 KJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017838051 553600173 /nfs/dbraw/zinc/60/01/73/553600173.db2.gz OXSDCKPRHHQRMH-PVHODMMVSA-N -1 3 502.567 4.934 40 0 KJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000017917673 553600741 /nfs/dbraw/zinc/60/07/41/553600741.db2.gz DPSCPAUNQJIQFK-VABKMULXSA-N -1 3 509.356 4.517 40 0 KJABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC ZINC000018066890 553603060 /nfs/dbraw/zinc/60/30/60/553603060.db2.gz ORNQRVQPUKWWID-NSVAZKTRSA-N -1 3 510.546 4.917 40 0 KJABHM COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018085722 553603727 /nfs/dbraw/zinc/60/37/27/553603727.db2.gz BVYWYZXWCUQGJJ-PKTNWEFCSA-N -1 3 510.546 4.917 40 0 KJABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000018143360 553606287 /nfs/dbraw/zinc/60/62/87/553606287.db2.gz GLCNHWBHNNLGNE-KCHLEUMXSA-N -1 3 520.541 4.966 40 0 KJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000018153833 553606269 /nfs/dbraw/zinc/60/62/69/553606269.db2.gz DZNKLUCVFPQYRL-VABKMULXSA-N -1 3 509.356 4.517 40 0 KJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000018167101 553606851 /nfs/dbraw/zinc/60/68/51/553606851.db2.gz BKVGQQYQSQAJSB-QQNWGBJXSA-N -1 3 510.546 4.917 40 0 KJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018182704 553608021 /nfs/dbraw/zinc/60/80/21/553608021.db2.gz LRBKOSZXIYIYBS-PVHODMMVSA-N -1 3 502.567 4.934 40 0 KJABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000018192951 553608388 /nfs/dbraw/zinc/60/83/88/553608388.db2.gz RWJVPNNPOYZWRN-HJOGWXRNSA-N -1 3 506.942 4.576 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000019931174 553634836 /nfs/dbraw/zinc/63/48/36/553634836.db2.gz OPXWFMFKPUIHPE-OPAMFIHVSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000019931176 553634851 /nfs/dbraw/zinc/63/48/51/553634851.db2.gz OPXWFMFKPUIHPE-KSFYIVLOSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000019931178 553634818 /nfs/dbraw/zinc/63/48/18/553634818.db2.gz OPXWFMFKPUIHPE-ZHRRBRCNSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000019931180 553634864 /nfs/dbraw/zinc/63/48/64/553634864.db2.gz OPXWFMFKPUIHPE-AOMKIAJQSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccccc1[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931182 553634811 /nfs/dbraw/zinc/63/48/11/553634811.db2.gz VKJALJZGBHZEAU-IIBYNOLFSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccccc1[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931184 553634855 /nfs/dbraw/zinc/63/48/55/553634855.db2.gz VKJALJZGBHZEAU-HRAATJIYSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccccc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931186 553635068 /nfs/dbraw/zinc/63/50/68/553635068.db2.gz VKJALJZGBHZEAU-IERDGZPVSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccccc1[C@H](C)NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931188 553635148 /nfs/dbraw/zinc/63/51/48/553635148.db2.gz VKJALJZGBHZEAU-KKSFZXQISA-N -1 3 507.439 4.769 40 0 KJABHM O=C(Nc1ccc(F)c(F)c1F)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931216 553635091 /nfs/dbraw/zinc/63/50/91/553635091.db2.gz QOFOQGHPSWLSLZ-QGZVFWFLSA-N -1 3 503.329 4.939 40 0 KJABHM O=C(Nc1ccc(F)c(F)c1F)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931218 553635143 /nfs/dbraw/zinc/63/51/43/553635143.db2.gz QOFOQGHPSWLSLZ-KRWDZBQOSA-N -1 3 503.329 4.939 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000020009705 553655106 /nfs/dbraw/zinc/65/51/06/553655106.db2.gz RJDVSKZOZRIILU-IBGZPJMESA-N -1 3 512.937 4.896 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000020009708 553655095 /nfs/dbraw/zinc/65/50/95/553655095.db2.gz RJDVSKZOZRIILU-LJQANCHMSA-N -1 3 512.937 4.896 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020009711 553655078 /nfs/dbraw/zinc/65/50/78/553655078.db2.gz CDABOPOOUAVCGH-IBGZPJMESA-N -1 3 512.937 4.896 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020009714 553655118 /nfs/dbraw/zinc/65/51/18/553655118.db2.gz CDABOPOOUAVCGH-LJQANCHMSA-N -1 3 512.937 4.896 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000020009717 553655009 /nfs/dbraw/zinc/65/50/09/553655009.db2.gz YMPMIYLMYRQINA-IBGZPJMESA-N -1 3 512.937 4.896 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000020009720 553655088 /nfs/dbraw/zinc/65/50/88/553655088.db2.gz YMPMIYLMYRQINA-LJQANCHMSA-N -1 3 512.937 4.896 40 0 KJABHM COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009787 553655427 /nfs/dbraw/zinc/65/54/27/553655427.db2.gz ACVSUGDPDQBEMA-LJQANCHMSA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009790 553655438 /nfs/dbraw/zinc/65/54/38/553655438.db2.gz ACVSUGDPDQBEMA-IBGZPJMESA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl ZINC000020009793 553655421 /nfs/dbraw/zinc/65/54/21/553655421.db2.gz ASNAPXLQANGKHK-LJQANCHMSA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl ZINC000020009795 553655449 /nfs/dbraw/zinc/65/54/49/553655449.db2.gz ASNAPXLQANGKHK-IBGZPJMESA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020009981 553655652 /nfs/dbraw/zinc/65/56/52/553655652.db2.gz SNBKNCLVOCIKAG-KKSFZXQISA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020009984 553655681 /nfs/dbraw/zinc/65/56/81/553655681.db2.gz SNBKNCLVOCIKAG-HRAATJIYSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020009988 553655613 /nfs/dbraw/zinc/65/56/13/553655613.db2.gz SNBKNCLVOCIKAG-IERDGZPVSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020009991 553655629 /nfs/dbraw/zinc/65/56/29/553655629.db2.gz SNBKNCLVOCIKAG-IIBYNOLFSA-N -1 3 507.439 4.769 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000020010032 553655699 /nfs/dbraw/zinc/65/56/99/553655699.db2.gz FHXHPOFZVIZDBZ-JTSKRJEESA-N -1 3 519.088 4.838 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000020010034 553655623 /nfs/dbraw/zinc/65/56/23/553655623.db2.gz FHXHPOFZVIZDBZ-HTAPYJJXSA-N -1 3 519.088 4.838 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000020010037 553655604 /nfs/dbraw/zinc/65/56/04/553655604.db2.gz FHXHPOFZVIZDBZ-VGSWGCGISA-N -1 3 519.088 4.838 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000020010040 553655643 /nfs/dbraw/zinc/65/56/43/553655643.db2.gz FHXHPOFZVIZDBZ-VGOFRKELSA-N -1 3 519.088 4.838 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020016414 553659526 /nfs/dbraw/zinc/65/95/26/553659526.db2.gz NCHDNRJHENXQKJ-VIFPVBQESA-N -1 3 504.836 4.692 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020016417 553659501 /nfs/dbraw/zinc/65/95/01/553659501.db2.gz NCHDNRJHENXQKJ-SECBINFHSA-N -1 3 504.836 4.692 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000020019826 553660600 /nfs/dbraw/zinc/66/06/00/553660600.db2.gz CGQDYOGTPYOBOR-QGZVFWFLSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000020019829 553660543 /nfs/dbraw/zinc/66/05/43/553660543.db2.gz CGQDYOGTPYOBOR-KRWDZBQOSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)cc2)cc1 ZINC000020019856 553660571 /nfs/dbraw/zinc/66/05/71/553660571.db2.gz YZLNNPRGRHJXBB-QGZVFWFLSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)cc1 ZINC000020019859 553660666 /nfs/dbraw/zinc/66/06/66/553660666.db2.gz YZLNNPRGRHJXBB-KRWDZBQOSA-N -1 3 503.418 4.815 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)ccc2s1 ZINC000020019868 553660613 /nfs/dbraw/zinc/66/06/13/553660613.db2.gz AJDOKUYBKLIWBO-UHFFFAOYSA-N -1 3 510.593 4.815 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000020020045 553660558 /nfs/dbraw/zinc/66/05/58/553660558.db2.gz XZZZWXYIMAZOMO-QGZVFWFLSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000020020049 553660595 /nfs/dbraw/zinc/66/05/95/553660595.db2.gz XZZZWXYIMAZOMO-KRWDZBQOSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cccc(Br)c2)cc1 ZINC000020020078 553660660 /nfs/dbraw/zinc/66/06/60/553660660.db2.gz RJMWXVHXZVIKSI-QGZVFWFLSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000020020081 553660618 /nfs/dbraw/zinc/66/06/18/553660618.db2.gz RJMWXVHXZVIKSI-KRWDZBQOSA-N -1 3 503.418 4.815 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2s1 ZINC000020020090 553660648 /nfs/dbraw/zinc/66/06/48/553660648.db2.gz UDASCXIYMRRINR-UHFFFAOYSA-N -1 3 510.593 4.815 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)c1 ZINC000020020193 553660863 /nfs/dbraw/zinc/66/08/63/553660863.db2.gz APDUIZSKZUEHRA-QGZVFWFLSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Br)cc3)cc2)c1 ZINC000020020196 553660987 /nfs/dbraw/zinc/66/09/87/553660987.db2.gz APDUIZSKZUEHRA-KRWDZBQOSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)cc2)c1 ZINC000020020224 553660917 /nfs/dbraw/zinc/66/09/17/553660917.db2.gz VNVVNPAMGSAGAQ-QGZVFWFLSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)c1 ZINC000020020227 553660930 /nfs/dbraw/zinc/66/09/30/553660930.db2.gz VNVVNPAMGSAGAQ-KRWDZBQOSA-N -1 3 503.418 4.815 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)ccc2s1 ZINC000020020237 553661012 /nfs/dbraw/zinc/66/10/12/553661012.db2.gz AFNPBTZKIKAXEP-UHFFFAOYSA-N -1 3 510.593 4.815 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000020020339 553661002 /nfs/dbraw/zinc/66/10/02/553661002.db2.gz RLIBSWGVNPKUNO-INIZCTEOSA-N -1 3 519.417 4.515 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000020020342 553660960 /nfs/dbraw/zinc/66/09/60/553660960.db2.gz RLIBSWGVNPKUNO-MRXNPFEDSA-N -1 3 519.417 4.515 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)cc1 ZINC000020020372 553660966 /nfs/dbraw/zinc/66/09/66/553660966.db2.gz PZACLCOQXFIELK-INIZCTEOSA-N -1 3 519.417 4.515 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)cc2)cc1 ZINC000020020375 553660883 /nfs/dbraw/zinc/66/08/83/553660883.db2.gz PZACLCOQXFIELK-MRXNPFEDSA-N -1 3 519.417 4.515 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(SC)cc3)cc2)cc1 ZINC000020020499 553661023 /nfs/dbraw/zinc/66/10/23/553661023.db2.gz LDHKOJHAFMIGJT-SFHVURJKSA-N -1 3 500.642 4.864 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(SC)cc3)cc2)cc1 ZINC000020020502 553661032 /nfs/dbraw/zinc/66/10/32/553661032.db2.gz LDHKOJHAFMIGJT-GOSISDBHSA-N -1 3 500.642 4.864 40 0 KJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000020020666 553661281 /nfs/dbraw/zinc/66/12/81/553661281.db2.gz CXZGJXPKHUIEFV-OAHLLOKOSA-N -1 3 507.381 4.645 40 0 KJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000020020669 553661347 /nfs/dbraw/zinc/66/13/47/553661347.db2.gz CXZGJXPKHUIEFV-HNNXBMFYSA-N -1 3 507.381 4.645 40 0 KJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc(Br)c1 ZINC000020020696 553661272 /nfs/dbraw/zinc/66/12/72/553661272.db2.gz LKZMMRBMJFOHSH-OAHLLOKOSA-N -1 3 507.381 4.645 40 0 KJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc(Br)c1 ZINC000020020698 553661355 /nfs/dbraw/zinc/66/13/55/553661355.db2.gz LKZMMRBMJFOHSH-HNNXBMFYSA-N -1 3 507.381 4.645 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2s1 ZINC000020020708 553661293 /nfs/dbraw/zinc/66/12/93/553661293.db2.gz MSOKBSORYAKRDQ-UHFFFAOYSA-N -1 3 514.556 4.645 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000020020875 553661327 /nfs/dbraw/zinc/66/13/27/553661327.db2.gz DISGOASOVHBBCZ-MRXNPFEDSA-N -1 3 519.417 4.515 40 0 KJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000020020878 553661308 /nfs/dbraw/zinc/66/13/08/553661308.db2.gz DISGOASOVHBBCZ-INIZCTEOSA-N -1 3 519.417 4.515 40 0 KJABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020020880 553661296 /nfs/dbraw/zinc/66/12/96/553661296.db2.gz KCXWJZSYBWCYEB-MRXNPFEDSA-N -1 3 519.417 4.515 40 0 KJABHM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020020883 553661267 /nfs/dbraw/zinc/66/12/67/553661267.db2.gz KCXWJZSYBWCYEB-INIZCTEOSA-N -1 3 519.417 4.515 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020020886 553661317 /nfs/dbraw/zinc/66/13/17/553661317.db2.gz PQFTXTHJORYKJS-HSZRJFAPSA-N -1 3 515.429 4.823 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000020020889 553661288 /nfs/dbraw/zinc/66/12/88/553661288.db2.gz PQFTXTHJORYKJS-QHCPKHFHSA-N -1 3 515.429 4.823 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000020020911 553661304 /nfs/dbraw/zinc/66/13/04/553661304.db2.gz BSSQOQZJTTTZJQ-MRXNPFEDSA-N -1 3 508.518 4.771 40 0 KJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000020020914 553661344 /nfs/dbraw/zinc/66/13/44/553661344.db2.gz BSSQOQZJTTTZJQ-INIZCTEOSA-N -1 3 508.518 4.771 40 0 KJABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020020916 553661322 /nfs/dbraw/zinc/66/13/22/553661322.db2.gz ZSBOFZYNDILRDA-MRXNPFEDSA-N -1 3 508.518 4.771 40 0 KJABHM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020020918 553661244 /nfs/dbraw/zinc/66/12/44/553661244.db2.gz ZSBOFZYNDILRDA-INIZCTEOSA-N -1 3 508.518 4.771 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)c(F)c1F ZINC000020020931 553661313 /nfs/dbraw/zinc/66/13/13/553661313.db2.gz MSMOJRQSIYTIIM-UHFFFAOYSA-N -1 3 504.408 4.941 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1Cl ZINC000020020957 553661519 /nfs/dbraw/zinc/66/15/19/553661519.db2.gz FHOIELXLUOEVND-HSZRJFAPSA-N -1 3 501.004 4.722 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1Cl ZINC000020020961 553661702 /nfs/dbraw/zinc/66/17/02/553661702.db2.gz FHOIELXLUOEVND-QHCPKHFHSA-N -1 3 501.004 4.722 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)cc1Cl ZINC000020020975 553661625 /nfs/dbraw/zinc/66/16/25/553661625.db2.gz FRMIHLKCXSNOFW-UHFFFAOYSA-N -1 3 500.882 4.584 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000020021067 553661696 /nfs/dbraw/zinc/66/16/96/553661696.db2.gz HBXLIJSWNSYVMJ-QGZVFWFLSA-N -1 3 519.019 4.723 40 0 KJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000020021070 553661535 /nfs/dbraw/zinc/66/15/35/553661535.db2.gz HBXLIJSWNSYVMJ-KRWDZBQOSA-N -1 3 519.019 4.723 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000020022303 553661875 /nfs/dbraw/zinc/66/18/75/553661875.db2.gz DPXYOIFRZYHSKA-QGZVFWFLSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000020022306 553661859 /nfs/dbraw/zinc/66/18/59/553661859.db2.gz DPXYOIFRZYHSKA-KRWDZBQOSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000020022333 553661879 /nfs/dbraw/zinc/66/18/79/553661879.db2.gz YKPHBSLRBKRTST-QGZVFWFLSA-N -1 3 503.418 4.815 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000020022337 553661886 /nfs/dbraw/zinc/66/18/86/553661886.db2.gz YKPHBSLRBKRTST-KRWDZBQOSA-N -1 3 503.418 4.815 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3C)ccc2s1 ZINC000020022345 553661853 /nfs/dbraw/zinc/66/18/53/553661853.db2.gz IVNIANNFCDRKAE-UHFFFAOYSA-N -1 3 510.593 4.815 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1OC ZINC000020022379 553661883 /nfs/dbraw/zinc/66/18/83/553661883.db2.gz SJJMINHZZKVKAD-QGZVFWFLSA-N -1 3 519.019 4.723 40 0 KJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1OC ZINC000020022382 553661889 /nfs/dbraw/zinc/66/18/89/553661889.db2.gz SJJMINHZZKVKAD-KRWDZBQOSA-N -1 3 519.019 4.723 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000020022430 553661921 /nfs/dbraw/zinc/66/19/21/553661921.db2.gz XWJYGKDFKGPZDK-MRXNPFEDSA-N -1 3 521.408 4.954 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000020022433 553662266 /nfs/dbraw/zinc/66/22/66/553662266.db2.gz XWJYGKDFKGPZDK-INIZCTEOSA-N -1 3 521.408 4.954 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000020022463 553662227 /nfs/dbraw/zinc/66/22/27/553662227.db2.gz OKKRDGNTEMXMDM-MRXNPFEDSA-N -1 3 521.408 4.954 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000020022466 553662202 /nfs/dbraw/zinc/66/22/02/553662202.db2.gz OKKRDGNTEMXMDM-INIZCTEOSA-N -1 3 521.408 4.954 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1OC ZINC000020022565 553662257 /nfs/dbraw/zinc/66/22/57/553662257.db2.gz WJMYBQXQOKYJDQ-HXUWFJFHSA-N -1 3 512.628 4.686 40 0 KJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1OC ZINC000020022568 553662193 /nfs/dbraw/zinc/66/21/93/553662193.db2.gz WJMYBQXQOKYJDQ-FQEVSTJZSA-N -1 3 512.628 4.686 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c(Cl)c2)cc1 ZINC000020023286 553662614 /nfs/dbraw/zinc/66/26/14/553662614.db2.gz MKODCEGRSKFSAU-HSZRJFAPSA-N -1 3 501.004 4.722 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)c(Cl)c2)cc1 ZINC000020023291 553662578 /nfs/dbraw/zinc/66/25/78/553662578.db2.gz MKODCEGRSKFSAU-QHCPKHFHSA-N -1 3 501.004 4.722 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)c(Cl)c2)cc1 ZINC000020023307 553662609 /nfs/dbraw/zinc/66/26/09/553662609.db2.gz MUCZRNCITULBSK-UHFFFAOYSA-N -1 3 500.882 4.584 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(OC)cc3)c(Cl)c2)cc1 ZINC000020023458 553662853 /nfs/dbraw/zinc/66/28/53/553662853.db2.gz UUUUJUYBPITNST-KRWDZBQOSA-N -1 3 519.019 4.804 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(OC)cc3)c(Cl)c2)cc1 ZINC000020023461 553662784 /nfs/dbraw/zinc/66/27/84/553662784.db2.gz UUUUJUYBPITNST-QGZVFWFLSA-N -1 3 519.019 4.804 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3OC)c(Cl)c2)cc1 ZINC000020023464 553662892 /nfs/dbraw/zinc/66/28/92/553662892.db2.gz IFBTYPWXEVDLSP-KRWDZBQOSA-N -1 3 519.019 4.804 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3OC)c(Cl)c2)cc1 ZINC000020023467 553662899 /nfs/dbraw/zinc/66/28/99/553662899.db2.gz IFBTYPWXEVDLSP-QGZVFWFLSA-N -1 3 519.019 4.804 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)c(Cl)c2)cc1 ZINC000020023484 553662840 /nfs/dbraw/zinc/66/28/40/553662840.db2.gz ZKUMLTBVFCVKQF-UHFFFAOYSA-N -1 3 514.909 4.974 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000020061212 553674743 /nfs/dbraw/zinc/67/47/43/553674743.db2.gz RCRNEGMZBOXJAS-UHFFFAOYSA-N -1 3 529.684 4.632 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)cc2)cc1C ZINC000020061280 553674981 /nfs/dbraw/zinc/67/49/81/553674981.db2.gz RWXMVXKFQWJQLN-UHFFFAOYSA-N -1 3 529.684 4.632 40 0 KJABHM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)cc2)c1 ZINC000020106621 553689987 /nfs/dbraw/zinc/68/99/87/553689987.db2.gz ODOHWBMGIZLJIF-UHFFFAOYSA-N -1 3 523.655 4.989 40 0 KJABHM O=C([O-])C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1CCN1CCN(c2ccc(F)cc2)CC1 ZINC000020463309 553656706 /nfs/dbraw/zinc/65/67/06/553656706.db2.gz YAWZPZOYXOCGFZ-SFTDATJTSA-N -1 3 521.555 4.610 40 0 biogenic,in-vitro KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)cc2)c(OC)c1 ZINC000022508654 553742989 /nfs/dbraw/zinc/74/29/89/553742989.db2.gz JUJVIKUUGUFXDO-UHFFFAOYSA-N -1 3 523.655 4.989 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cccc(CN2CCOCC2)c1 ZINC000022511290 553743038 /nfs/dbraw/zinc/74/30/38/553743038.db2.gz LTRAIRPJRNZORB-UHFFFAOYSA-N -1 3 520.438 4.879 40 0 KJABHM O=C(Nc1ccc(I)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022517410 553743874 /nfs/dbraw/zinc/74/38/74/553743874.db2.gz NCLTUWSJODDHRE-UHFFFAOYSA-N -1 3 512.756 4.998 40 0 KJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2Cl)cc1 ZINC000022532273 553745405 /nfs/dbraw/zinc/74/54/05/553745405.db2.gz BMGXSHGOLXRTDU-VMPITWQZSA-N -1 3 510.059 4.920 40 0 KJABHM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2)n1 ZINC000022534178 553745871 /nfs/dbraw/zinc/74/58/71/553745871.db2.gz KPCKAUZGMMBVSZ-UHFFFAOYSA-N -1 3 527.650 4.705 40 0 KJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000022537036 553746699 /nfs/dbraw/zinc/74/66/99/553746699.db2.gz OOAZEXXDTFAEMC-OAHLLOKOSA-N -1 3 507.381 4.645 40 0 KJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000022537039 553746662 /nfs/dbraw/zinc/74/66/62/553746662.db2.gz OOAZEXXDTFAEMC-HNNXBMFYSA-N -1 3 507.381 4.645 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000022537571 553746944 /nfs/dbraw/zinc/74/69/44/553746944.db2.gz CODONMGQYAHEQF-INIZCTEOSA-N -1 3 506.983 4.935 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000022537575 553746886 /nfs/dbraw/zinc/74/68/86/553746886.db2.gz CODONMGQYAHEQF-MRXNPFEDSA-N -1 3 506.983 4.935 40 0 KJABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)N1CCC(C)CC1 ZINC000026119149 553817283 /nfs/dbraw/zinc/81/72/83/553817283.db2.gz BRRZSUFTKYUMCM-UHFFFAOYSA-N -1 3 501.443 4.983 40 0 KJABHM O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000027025613 553824644 /nfs/dbraw/zinc/82/46/44/553824644.db2.gz YQNFHGNEPXUQMR-LVCYWYKZSA-N -1 3 509.278 4.813 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000028617766 553843098 /nfs/dbraw/zinc/84/30/98/553843098.db2.gz VCYHMSFWCZEIAD-UHFFFAOYSA-N -1 3 520.438 4.879 40 0 KJABHM O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030851832 553858095 /nfs/dbraw/zinc/85/80/95/553858095.db2.gz JQISJGPKSKHQLJ-UHFFFAOYSA-N -1 3 520.998 4.718 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000030865158 553859870 /nfs/dbraw/zinc/85/98/70/553859870.db2.gz BJRIUEMQHPXABB-UHFFFAOYSA-N -1 3 502.614 4.634 40 0 KJABHM CCCOc1ccc(C([O-])=C2[C@@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000032624076 553870166 /nfs/dbraw/zinc/87/01/66/553870166.db2.gz YFKDPQBDBKWUKB-LGVFNWMJSA-N -1 3 506.452 4.978 40 0 KJABHM CCCOc1ccc(C([O-])=C2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000032624080 553870325 /nfs/dbraw/zinc/87/03/25/553870325.db2.gz YFKDPQBDBKWUKB-DPLHUUCSSA-N -1 3 506.452 4.978 40 0 KJABHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000034026476 562038149 /nfs/dbraw/zinc/03/81/49/562038149.db2.gz MOTJMGVDPWRKOC-UIUQJESISA-N -1 3 510.631 4.694 40 0 KJABHM O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000035047619 554033921 /nfs/dbraw/zinc/03/39/21/554033921.db2.gz YQNFHGNEPXUQMR-BBTUJRGHSA-N -1 3 509.278 4.813 40 0 KJABHM CCCOc1ccc(C([O-])=C2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035633364 554061763 /nfs/dbraw/zinc/06/17/63/554061763.db2.gz YFKDPQBDBKWUKB-ZFGGDYGUSA-N -1 3 506.452 4.978 40 0 KJABHM CCCOc1ccc(C([O-])=C2[C@@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035633368 554061687 /nfs/dbraw/zinc/06/16/87/554061687.db2.gz YFKDPQBDBKWUKB-PQNGQFLHSA-N -1 3 506.452 4.978 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1cccc(CN2CCOCC2)c1 ZINC000038753496 554275725 /nfs/dbraw/zinc/27/57/25/554275725.db2.gz ATZRGACMOANVGH-UHFFFAOYSA-N -1 3 520.438 4.879 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(C)cc4)CC3)cc2)c(OC)c1 ZINC000039756241 554280263 /nfs/dbraw/zinc/28/02/63/554280263.db2.gz XKJLVZQZJDOQCO-UHFFFAOYSA-N -1 3 523.655 4.664 40 0 KJABHM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4cccc(C)c4)CC3)cc2)c1 ZINC000039758266 554280248 /nfs/dbraw/zinc/28/02/48/554280248.db2.gz BUDIGRKUMOQPSP-UHFFFAOYSA-N -1 3 523.655 4.664 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000039761153 554280353 /nfs/dbraw/zinc/28/03/53/554280353.db2.gz UNORAYKFKWJBNV-UHFFFAOYSA-N -1 3 511.619 4.876 40 0 KJABHM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(C)cc4)CC3)cc2)c1 ZINC000039768280 554281021 /nfs/dbraw/zinc/28/10/21/554281021.db2.gz RUBJNMDQKKCFLK-UHFFFAOYSA-N -1 3 523.655 4.664 40 0 KJABHM COCc1nn2c(ncc3c(=O)n([N-]C(=O)c4ccc(Cl)cc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040397194 554283620 /nfs/dbraw/zinc/28/36/20/554283620.db2.gz OARSQOURBRHPFH-UHFFFAOYSA-N -1 3 512.328 4.687 40 0 KJABHM COc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399499 554284343 /nfs/dbraw/zinc/28/43/43/554284343.db2.gz MWUQVJQPQQHZGL-CYBMUJFWSA-N -1 3 508.749 4.547 40 0 KJABHM COc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399500 554284359 /nfs/dbraw/zinc/28/43/59/554284359.db2.gz MWUQVJQPQQHZGL-ZDUSSCGKSA-N -1 3 508.749 4.547 40 0 KJABHM COc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399576 554284353 /nfs/dbraw/zinc/28/43/53/554284353.db2.gz BBECUFXYCRAACO-LLVKDONJSA-N -1 3 508.749 4.547 40 0 KJABHM COc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399578 554284309 /nfs/dbraw/zinc/28/43/09/554284309.db2.gz BBECUFXYCRAACO-NSHDSACASA-N -1 3 508.749 4.547 40 0 KJABHM O=C(Nc1ccccc1Sc1ccccc1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399670 554284199 /nfs/dbraw/zinc/28/41/99/554284199.db2.gz WSBFLJUPRMRLET-GOSISDBHSA-N -1 3 501.543 4.868 40 0 KJABHM O=C(Nc1ccccc1Sc1ccccc1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399672 554284330 /nfs/dbraw/zinc/28/43/30/554284330.db2.gz WSBFLJUPRMRLET-SFHVURJKSA-N -1 3 501.543 4.868 40 0 KJABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 ZINC000040399864 554284219 /nfs/dbraw/zinc/28/42/19/554284219.db2.gz IYHNZANOMYJAAT-IBGZPJMESA-N -1 3 513.579 4.738 40 0 KJABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 ZINC000040399866 554284272 /nfs/dbraw/zinc/28/42/72/554284272.db2.gz IYHNZANOMYJAAT-LJQANCHMSA-N -1 3 513.579 4.738 40 0 KJABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Sc1ccccc1)CC(=O)N2 ZINC000040400057 554284495 /nfs/dbraw/zinc/28/44/95/554284495.db2.gz XAMRMCSHGWBBNM-KRWDZBQOSA-N -1 3 513.579 4.738 40 0 KJABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1Sc1ccccc1)CC(=O)N2 ZINC000040400059 554284661 /nfs/dbraw/zinc/28/46/61/554284661.db2.gz XAMRMCSHGWBBNM-QGZVFWFLSA-N -1 3 513.579 4.738 40 0 KJABHM O=C(Nc1ccc(Cl)c(Cl)c1)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400266 554284682 /nfs/dbraw/zinc/28/46/82/554284682.db2.gz IVJSFISGTPPZRT-LBPRGKRZSA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1ccc(Cl)c(Cl)c1)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400268 554284527 /nfs/dbraw/zinc/28/45/27/554284527.db2.gz IVJSFISGTPPZRT-GFCCVEGCSA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1ccc(Cl)cc1Cl)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400270 554284578 /nfs/dbraw/zinc/28/45/78/554284578.db2.gz DSDAZFWSTOOQNP-LBPRGKRZSA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1ccc(Cl)cc1Cl)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400272 554284413 /nfs/dbraw/zinc/28/44/13/554284413.db2.gz DSDAZFWSTOOQNP-GFCCVEGCSA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1cccc(Cl)c1Cl)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400274 554284509 /nfs/dbraw/zinc/28/45/09/554284509.db2.gz QDVFEOGVAOFTRK-NSHDSACASA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1cccc(Cl)c1Cl)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400276 554284635 /nfs/dbraw/zinc/28/46/35/554284635.db2.gz QDVFEOGVAOFTRK-LLVKDONJSA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400278 554284645 /nfs/dbraw/zinc/28/46/45/554284645.db2.gz FGUKFORHLACCRJ-AWEZNQCLSA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400280 554284590 /nfs/dbraw/zinc/28/45/90/554284590.db2.gz FGUKFORHLACCRJ-CQSZACIVSA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400327 554284967 /nfs/dbraw/zinc/28/49/67/554284967.db2.gz AVFQBOVDWLNVIM-LBPRGKRZSA-N -1 3 512.275 4.904 40 0 KJABHM O=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400329 554284982 /nfs/dbraw/zinc/28/49/82/554284982.db2.gz AVFQBOVDWLNVIM-GFCCVEGCSA-N -1 3 512.275 4.904 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000044838616 554303829 /nfs/dbraw/zinc/30/38/29/554303829.db2.gz AOQKFMJHEKAGLC-INIZCTEOSA-N -1 3 502.614 4.633 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000044838620 554303880 /nfs/dbraw/zinc/30/38/80/554303880.db2.gz AOQKFMJHEKAGLC-MRXNPFEDSA-N -1 3 502.614 4.633 40 0 KJABHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044884331 554307745 /nfs/dbraw/zinc/30/77/45/554307745.db2.gz WKIWJEFOPCCUDW-UHFFFAOYSA-N -1 3 518.975 4.505 40 0 KJABHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000058482296 562698044 /nfs/dbraw/zinc/69/80/44/562698044.db2.gz MOTJMGVDPWRKOC-KEKPKEOLSA-N -1 3 510.631 4.694 40 0 KJABHM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(Cl)ccc4[O-])c(=O)n31)c1ccccc1CC2 ZINC000058856219 554369958 /nfs/dbraw/zinc/36/99/58/554369958.db2.gz XQFICQJBQBHFAW-KMBIYUNPSA-N -1 3 501.007 4.686 40 0 KJABHM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(Cl)ccc4[O-])c(=O)n31)c1ccccc1CC2 ZINC000058856222 554369982 /nfs/dbraw/zinc/36/99/82/554369982.db2.gz XQFICQJBQBHFAW-GVMLUORFSA-N -1 3 501.007 4.686 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Cl)ccc5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000058856677 554370325 /nfs/dbraw/zinc/37/03/25/554370325.db2.gz NMCNIQMLIWAFEZ-KMBIYUNPSA-N -1 3 501.007 4.686 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Cl)ccc5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000058856681 554370293 /nfs/dbraw/zinc/37/02/93/554370293.db2.gz NMCNIQMLIWAFEZ-GVMLUORFSA-N -1 3 501.007 4.686 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1[O-] ZINC000059513160 554400733 /nfs/dbraw/zinc/40/07/33/554400733.db2.gz DVGGLVWTLIQCRF-ZDGAQAAHSA-N -1 3 518.997 4.825 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1[O-] ZINC000059513161 554400777 /nfs/dbraw/zinc/40/07/77/554400777.db2.gz DVGGLVWTLIQCRF-AQIZGWBQSA-N -1 3 518.997 4.825 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1[O-] ZINC000059513163 554400689 /nfs/dbraw/zinc/40/06/89/554400689.db2.gz DUXIJPAOZBYWAT-FJWZAKCXSA-N -1 3 507.036 4.748 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1[O-] ZINC000059513164 554400742 /nfs/dbraw/zinc/40/07/42/554400742.db2.gz DUXIJPAOZBYWAT-RQLGBQGVSA-N -1 3 507.036 4.748 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000059834382 554434392 /nfs/dbraw/zinc/43/43/92/554434392.db2.gz YMERKIGODABHHQ-FQEVSTJZSA-N -1 3 527.857 4.861 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000059834387 554434407 /nfs/dbraw/zinc/43/44/07/554434407.db2.gz YMERKIGODABHHQ-HXUWFJFHSA-N -1 3 527.857 4.861 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Br ZINC000059834397 554434389 /nfs/dbraw/zinc/43/43/89/554434389.db2.gz YSZWJBJRAHDWJG-IBGZPJMESA-N -1 3 523.836 4.639 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1Br ZINC000059834400 554434366 /nfs/dbraw/zinc/43/43/66/554434366.db2.gz YSZWJBJRAHDWJG-LJQANCHMSA-N -1 3 523.836 4.639 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000059834401 554434347 /nfs/dbraw/zinc/43/43/47/554434347.db2.gz DOOCKEWTLOIQCC-IBGZPJMESA-N -1 3 523.836 4.639 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1 ZINC000059834402 554434435 /nfs/dbraw/zinc/43/44/35/554434435.db2.gz DOOCKEWTLOIQCC-LJQANCHMSA-N -1 3 523.836 4.639 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000059834403 554434399 /nfs/dbraw/zinc/43/43/99/554434399.db2.gz WTQXCNYOTRFFFS-IBGZPJMESA-N -1 3 523.836 4.639 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000059834405 554434430 /nfs/dbraw/zinc/43/44/30/554434430.db2.gz WTQXCNYOTRFFFS-LJQANCHMSA-N -1 3 523.836 4.639 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000059834414 554434357 /nfs/dbraw/zinc/43/43/57/554434357.db2.gz TVDZICKSCRWMFC-IBGZPJMESA-N -1 3 541.826 4.779 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000059834417 554434343 /nfs/dbraw/zinc/43/43/43/554434343.db2.gz TVDZICKSCRWMFC-LJQANCHMSA-N -1 3 541.826 4.779 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000059834477 554434552 /nfs/dbraw/zinc/43/45/52/554434552.db2.gz HQRIYZTWBXPVMX-HSZRJFAPSA-N -1 3 545.057 4.834 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000059834479 554434653 /nfs/dbraw/zinc/43/46/53/554434653.db2.gz HQRIYZTWBXPVMX-QHCPKHFHSA-N -1 3 545.057 4.834 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000059834498 554434634 /nfs/dbraw/zinc/43/46/34/554434634.db2.gz KMXAHRUENYGKIY-IBGZPJMESA-N -1 3 539.437 4.548 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000059834502 554434595 /nfs/dbraw/zinc/43/45/95/554434595.db2.gz KMXAHRUENYGKIY-LJQANCHMSA-N -1 3 539.437 4.548 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000059834511 554434848 /nfs/dbraw/zinc/43/48/48/554434848.db2.gz LKHQNFCWGXVYPW-HRAATJIYSA-N -1 3 551.890 4.878 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000059834513 554434928 /nfs/dbraw/zinc/43/49/28/554434928.db2.gz LKHQNFCWGXVYPW-IIBYNOLFSA-N -1 3 551.890 4.878 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000059834516 554434823 /nfs/dbraw/zinc/43/48/23/554434823.db2.gz LKHQNFCWGXVYPW-KKSFZXQISA-N -1 3 551.890 4.878 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000059834518 554434858 /nfs/dbraw/zinc/43/48/58/554434858.db2.gz LKHQNFCWGXVYPW-IERDGZPVSA-N -1 3 551.890 4.878 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000059834533 554434836 /nfs/dbraw/zinc/43/48/36/554434836.db2.gz WSTBERFDODBXIH-HRAATJIYSA-N -1 3 551.890 4.878 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000059834537 554434886 /nfs/dbraw/zinc/43/48/86/554434886.db2.gz WSTBERFDODBXIH-IIBYNOLFSA-N -1 3 551.890 4.878 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000059834540 554434864 /nfs/dbraw/zinc/43/48/64/554434864.db2.gz WSTBERFDODBXIH-KKSFZXQISA-N -1 3 551.890 4.878 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000059834542 554434895 /nfs/dbraw/zinc/43/48/95/554434895.db2.gz WSTBERFDODBXIH-IERDGZPVSA-N -1 3 551.890 4.878 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)[C@H](Cc3ccccc3)[N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc2s1 ZINC000059834545 554434957 /nfs/dbraw/zinc/43/49/57/554434957.db2.gz DVPVBJXKRBPZCG-FQEVSTJZSA-N -1 3 559.065 4.878 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)[C@@H](Cc3ccccc3)[N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc2s1 ZINC000059834548 554434934 /nfs/dbraw/zinc/43/49/34/554434934.db2.gz DVPVBJXKRBPZCG-HXUWFJFHSA-N -1 3 559.065 4.878 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4)cc3)ccc2s1 ZINC000059836913 554441057 /nfs/dbraw/zinc/44/10/57/554441057.db2.gz RQFIGCFWXYECHC-UHFFFAOYSA-N -1 3 526.592 4.515 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000059836933 554441353 /nfs/dbraw/zinc/44/13/53/554441353.db2.gz MIWLKHOYKBXSIL-KRWDZBQOSA-N -1 3 533.444 4.905 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Br)cc3)cc2)cc1 ZINC000059836935 554441302 /nfs/dbraw/zinc/44/13/02/554441302.db2.gz MIWLKHOYKBXSIL-QGZVFWFLSA-N -1 3 533.444 4.905 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)cc1 ZINC000059836938 554441398 /nfs/dbraw/zinc/44/13/98/554441398.db2.gz NKGMDZQNJSNCNT-KRWDZBQOSA-N -1 3 533.444 4.905 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cccc(Br)c3)cc2)cc1 ZINC000059836941 554441274 /nfs/dbraw/zinc/44/12/74/554441274.db2.gz NKGMDZQNJSNCNT-QGZVFWFLSA-N -1 3 533.444 4.905 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sc(C(=O)OC)cc4c3)cc2)cc1 ZINC000059836943 554441363 /nfs/dbraw/zinc/44/13/63/554441363.db2.gz FUJUEQUVDRPGFQ-UHFFFAOYSA-N -1 3 540.619 4.905 40 0 KJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OC ZINC000059836979 554441245 /nfs/dbraw/zinc/44/12/45/554441245.db2.gz DEOVWRXXLXVJNT-INIZCTEOSA-N -1 3 549.443 4.523 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OC ZINC000059836982 554441257 /nfs/dbraw/zinc/44/12/57/554441257.db2.gz DEOVWRXXLXVJNT-MRXNPFEDSA-N -1 3 549.443 4.523 40 0 KJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000059837008 554441627 /nfs/dbraw/zinc/44/16/27/554441627.db2.gz FHTAZPICGNMSSR-INIZCTEOSA-N -1 3 538.544 4.780 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000059837011 554441621 /nfs/dbraw/zinc/44/16/21/554441621.db2.gz FHTAZPICGNMSSR-MRXNPFEDSA-N -1 3 538.544 4.780 40 0 KJABHM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3C)ccc2s1 ZINC000059837146 554442113 /nfs/dbraw/zinc/44/21/13/554442113.db2.gz PTKRRLODTRFXCR-UHFFFAOYSA-N -1 3 528.583 4.954 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)c(Cl)c2)cc1 ZINC000059837293 554442808 /nfs/dbraw/zinc/44/28/08/554442808.db2.gz DIMWKDSZIWHIHR-KRWDZBQOSA-N -1 3 549.045 4.813 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(OC)c(OC)c3)c(Cl)c2)cc1 ZINC000059837295 554442777 /nfs/dbraw/zinc/44/27/77/554442777.db2.gz DIMWKDSZIWHIHR-QGZVFWFLSA-N -1 3 549.045 4.813 40 0 KJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2Cl)cc1 ZINC000059852549 554451901 /nfs/dbraw/zinc/45/19/01/554451901.db2.gz JRKCDVMHJJBSMC-UHFFFAOYSA-N -1 3 548.086 4.876 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000059858309 554455664 /nfs/dbraw/zinc/45/56/64/554455664.db2.gz DOGWGHSMLAHJBO-UHFFFAOYSA-N -1 3 592.017 4.573 40 0 KJABHM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059858402 554455655 /nfs/dbraw/zinc/45/56/55/554455655.db2.gz WOLHLICRIUBMTM-UHFFFAOYSA-N -1 3 579.700 4.892 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059858497 554455915 /nfs/dbraw/zinc/45/59/15/554455915.db2.gz WPEHOQWSJIPWQW-UHFFFAOYSA-N -1 3 565.673 4.638 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059858531 554456055 /nfs/dbraw/zinc/45/60/55/554456055.db2.gz QFANQWMUIGWZDU-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc4ccccc43)S(C)(=O)=O)cc2)cc1C ZINC000059858624 554456032 /nfs/dbraw/zinc/45/60/32/554456032.db2.gz HWHRSZBAFZMOIW-UHFFFAOYSA-N -1 3 537.663 4.662 40 0 KJABHM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000059858666 554455881 /nfs/dbraw/zinc/45/58/81/554455881.db2.gz GLUUFFMPYVHXSV-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000059858669 554456039 /nfs/dbraw/zinc/45/60/39/554456039.db2.gz LTCRGIRDFJUMLT-HNNXBMFYSA-N -1 3 572.492 4.596 40 0 KJABHM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000059858675 554456047 /nfs/dbraw/zinc/45/60/47/554456047.db2.gz LTCRGIRDFJUMLT-OAHLLOKOSA-N -1 3 572.492 4.596 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059881530 554456835 /nfs/dbraw/zinc/45/68/35/554456835.db2.gz PNQPHQMFQLAFCS-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059881662 554457134 /nfs/dbraw/zinc/45/71/34/554457134.db2.gz SEULWWAMIJDMEO-UHFFFAOYSA-N -1 3 583.663 4.859 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccc(C)cc2)cc1 ZINC000059881689 554457140 /nfs/dbraw/zinc/45/71/40/554457140.db2.gz RLPVENOMZQEGEV-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059881786 554457145 /nfs/dbraw/zinc/45/71/45/554457145.db2.gz IYARWKBCAVWIDT-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000059881882 554457618 /nfs/dbraw/zinc/45/76/18/554457618.db2.gz XANMZUGSRWKANJ-UHFFFAOYSA-N -1 3 557.600 4.600 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059882049 554457887 /nfs/dbraw/zinc/45/78/87/554457887.db2.gz VUKICAIHUFPGTR-UHFFFAOYSA-N -1 3 565.673 4.638 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059882139 554457747 /nfs/dbraw/zinc/45/77/47/554457747.db2.gz DDAWUOCTODUMSB-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059882221 554457792 /nfs/dbraw/zinc/45/77/92/554457792.db2.gz OQMNRLNNEWSZSB-UHFFFAOYSA-N -1 3 586.091 4.983 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000059882237 554457819 /nfs/dbraw/zinc/45/78/19/554457819.db2.gz PKXLWBITVMJWLK-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1 ZINC000059882251 554458237 /nfs/dbraw/zinc/45/82/37/554458237.db2.gz DFSBLCJXGUXQOW-UHFFFAOYSA-N -1 3 592.017 4.573 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882267 554458143 /nfs/dbraw/zinc/45/81/43/554458143.db2.gz YVINZFWYDXCDLC-UHFFFAOYSA-N -1 3 549.674 4.938 40 0 KJABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000059882342 554458073 /nfs/dbraw/zinc/45/80/73/554458073.db2.gz FZADKSAIBVISFL-UHFFFAOYSA-N -1 3 542.466 4.507 40 0 KJABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1C ZINC000059882347 554458188 /nfs/dbraw/zinc/45/81/88/554458188.db2.gz ZGFDPHOYQMNLED-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000059882409 554458217 /nfs/dbraw/zinc/45/82/17/554458217.db2.gz GFPUNSGNDMDZLS-UHFFFAOYSA-N -1 3 613.689 4.786 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000059882706 554458767 /nfs/dbraw/zinc/45/87/67/554458767.db2.gz HPHYGHCXOUJQOC-UHFFFAOYSA-N -1 3 555.600 4.528 40 0 KJABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059882757 554458979 /nfs/dbraw/zinc/45/89/79/554458979.db2.gz RNGDFBBRXDWETA-UHFFFAOYSA-N -1 3 553.637 4.769 40 0 KJABHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000059882812 554459042 /nfs/dbraw/zinc/45/90/42/554459042.db2.gz VUXHPMPHEOINFQ-UHFFFAOYSA-N -1 3 572.492 4.598 40 0 KJABHM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccccc2)cc1 ZINC000059882816 554458975 /nfs/dbraw/zinc/45/89/75/554458975.db2.gz FIJSZUFFYJQLSA-UHFFFAOYSA-N -1 3 583.663 4.859 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059882891 554459200 /nfs/dbraw/zinc/45/92/00/554459200.db2.gz IEQXIZPDIWRYMT-UHFFFAOYSA-N -1 3 586.091 4.983 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000059882995 554459226 /nfs/dbraw/zinc/45/92/26/554459226.db2.gz IGXNMDASPGNDIJ-UHFFFAOYSA-N -1 3 549.674 4.938 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059883230 554459835 /nfs/dbraw/zinc/45/98/35/554459835.db2.gz DWZWXOWEZQVSJS-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059883276 554460115 /nfs/dbraw/zinc/46/01/15/554460115.db2.gz KCNYYADWEFIMDU-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)c1 ZINC000059883283 554460274 /nfs/dbraw/zinc/46/02/74/554460274.db2.gz KWIGGDVZQGKKPI-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000059883460 554460488 /nfs/dbraw/zinc/46/04/88/554460488.db2.gz QQRKLLFCBKYVLM-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(Cl)cc1 ZINC000059883543 554460639 /nfs/dbraw/zinc/46/06/39/554460639.db2.gz SCHFWUPGUUUDKC-UHFFFAOYSA-N -1 3 562.884 4.852 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000059883550 554460933 /nfs/dbraw/zinc/46/09/33/554460933.db2.gz LTEFAUVTRRZDRS-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000059883555 554460718 /nfs/dbraw/zinc/46/07/18/554460718.db2.gz CXHGZVCZCPCJEW-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059883760 554461139 /nfs/dbraw/zinc/46/11/39/554461139.db2.gz WDYCIOMHPHKZLA-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059883890 554461453 /nfs/dbraw/zinc/46/14/53/554461453.db2.gz BDYAKFXAMBVFGR-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059884068 554461752 /nfs/dbraw/zinc/46/17/52/554461752.db2.gz QYAJHNBJFJYIKJ-UHFFFAOYSA-N -1 3 565.673 4.638 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cccc(Cl)c1 ZINC000059884160 554461759 /nfs/dbraw/zinc/46/17/59/554461759.db2.gz ZDGLVTDRVAKHBP-UHFFFAOYSA-N -1 3 562.884 4.852 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1C ZINC000059884215 554462019 /nfs/dbraw/zinc/46/20/19/554462019.db2.gz PKJUPNWQOFBKHL-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059884226 554462037 /nfs/dbraw/zinc/46/20/37/554462037.db2.gz NESLQEDGVAHLOO-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059884530 554462681 /nfs/dbraw/zinc/46/26/81/554462681.db2.gz WDDIULJMGAOVNP-UHFFFAOYSA-N -1 3 571.627 4.908 40 0 KJABHM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)c1 ZINC000059884578 554462668 /nfs/dbraw/zinc/46/26/68/554462668.db2.gz KNADOUPKWUVTDE-UHFFFAOYSA-N -1 3 542.466 4.507 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059884676 554463096 /nfs/dbraw/zinc/46/30/96/554463096.db2.gz OJSLUSASSMVBBR-UHFFFAOYSA-N -1 3 586.091 4.983 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059884854 554463338 /nfs/dbraw/zinc/46/33/38/554463338.db2.gz OHGZYVGHEPWNFV-UHFFFAOYSA-N -1 3 625.725 4.656 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000059884946 554463677 /nfs/dbraw/zinc/46/36/77/554463677.db2.gz IAKLBMWDZCTAID-UHFFFAOYSA-N -1 3 595.699 4.647 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c2ccccc2)cc1 ZINC000059885026 554464005 /nfs/dbraw/zinc/46/40/05/554464005.db2.gz VYJGGHXYTQDAIN-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059885092 554463879 /nfs/dbraw/zinc/46/38/79/554463879.db2.gz SPGUOVFWAFOHBT-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc4ccccc43)S(C)(=O)=O)cc2)c(C)c1 ZINC000059885138 554463876 /nfs/dbraw/zinc/46/38/76/554463876.db2.gz AYPUHVYMGYALKD-UHFFFAOYSA-N -1 3 537.663 4.662 40 0 KJABHM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059885475 554464346 /nfs/dbraw/zinc/46/43/46/554464346.db2.gz CHLNQBGLZBOSDT-UHFFFAOYSA-N -1 3 553.637 4.769 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059885487 554464800 /nfs/dbraw/zinc/46/48/00/554464800.db2.gz SMWIHKAGCWBKCN-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000059885535 554464852 /nfs/dbraw/zinc/46/48/52/554464852.db2.gz VFOWRDNSRKPSJT-UHFFFAOYSA-N -1 3 625.725 4.656 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059885571 554464765 /nfs/dbraw/zinc/46/47/65/554464765.db2.gz UEJJMRQKCKFAQT-UHFFFAOYSA-N -1 3 616.117 4.992 40 0 KJABHM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)S(C)(=O)=O ZINC000059885603 554464810 /nfs/dbraw/zinc/46/48/10/554464810.db2.gz KBNRICNTJSEYAW-UHFFFAOYSA-N -1 3 556.493 4.761 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(OC)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059885661 554465033 /nfs/dbraw/zinc/46/50/33/554465033.db2.gz JLWPZPGCRUMSPP-UHFFFAOYSA-N -1 3 595.699 4.647 40 0 KJABHM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059885672 554464972 /nfs/dbraw/zinc/46/49/72/554464972.db2.gz FFTGFXQLBGIIAN-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059885730 554465059 /nfs/dbraw/zinc/46/50/59/554465059.db2.gz WKMWJTNNQQNAFO-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059885777 554464986 /nfs/dbraw/zinc/46/49/86/554464986.db2.gz ZESJYSIFLQMYAF-UHFFFAOYSA-N -1 3 569.636 4.824 40 0 KJABHM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000059885808 554465351 /nfs/dbraw/zinc/46/53/51/554465351.db2.gz CNEJWQZPEPISDV-INIZCTEOSA-N -1 3 586.519 4.986 40 0 KJABHM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000059885810 554465494 /nfs/dbraw/zinc/46/54/94/554465494.db2.gz CNEJWQZPEPISDV-MRXNPFEDSA-N -1 3 586.519 4.986 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000059885869 554465447 /nfs/dbraw/zinc/46/54/47/554465447.db2.gz GNUCVHRLXVPWJZ-UHFFFAOYSA-N -1 3 579.981 4.703 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)cc1 ZINC000059885930 554465635 /nfs/dbraw/zinc/46/56/35/554465635.db2.gz WQKCUFPDJMYGSY-UHFFFAOYSA-N -1 3 565.673 4.715 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059885943 554465748 /nfs/dbraw/zinc/46/57/48/554465748.db2.gz GUAKDSKXAZIHLO-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000059886158 554466079 /nfs/dbraw/zinc/46/60/79/554466079.db2.gz FVFNOLIGRXYFKX-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059886232 554466276 /nfs/dbraw/zinc/46/62/76/554466276.db2.gz ORRBFVUJALKUFF-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)S(C)(=O)=O ZINC000059886304 554466329 /nfs/dbraw/zinc/46/63/29/554466329.db2.gz NMGLCKSEXGGBBN-UHFFFAOYSA-N -1 3 542.466 4.507 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059886404 554466787 /nfs/dbraw/zinc/46/67/87/554466787.db2.gz KZFRRNJSELLAJG-UHFFFAOYSA-N -1 3 616.117 4.992 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000059886411 554466699 /nfs/dbraw/zinc/46/66/99/554466699.db2.gz QKUOHNHOVNRZPN-UHFFFAOYSA-N -1 3 579.981 4.703 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)cc1C ZINC000059886443 554466639 /nfs/dbraw/zinc/46/66/39/554466639.db2.gz NZELIYLIXUONRX-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000059886454 554466648 /nfs/dbraw/zinc/46/66/48/554466648.db2.gz JERDGZQTYZQLSW-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000059886457 554466684 /nfs/dbraw/zinc/46/66/84/554466684.db2.gz HXHJGTZNEPMOSS-UHFFFAOYSA-N -1 3 557.600 4.600 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059886607 554466909 /nfs/dbraw/zinc/46/69/09/554466909.db2.gz TZYMQKNWQBOPBQ-UHFFFAOYSA-N -1 3 625.725 4.656 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000059886622 554467117 /nfs/dbraw/zinc/46/71/17/554467117.db2.gz VNVNNYJVQODJQQ-UHFFFAOYSA-N -1 3 537.663 4.662 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccccc1Br ZINC000059886656 554466966 /nfs/dbraw/zinc/46/69/66/554466966.db2.gz BJNCPKDMDWQBLT-UHFFFAOYSA-N -1 3 607.335 4.961 40 0 KJABHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccccc2)cc1 ZINC000059886668 554467276 /nfs/dbraw/zinc/46/72/76/554467276.db2.gz LAVKMORGCDLQIU-UHFFFAOYSA-N -1 3 553.637 4.769 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000059886698 554467273 /nfs/dbraw/zinc/46/72/73/554467273.db2.gz FUJWLQRRVLUBKX-UHFFFAOYSA-N -1 3 592.910 4.861 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059886849 554467574 /nfs/dbraw/zinc/46/75/74/554467574.db2.gz OFHGDBPRTAFGRP-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059886904 554467632 /nfs/dbraw/zinc/46/76/32/554467632.db2.gz LRWWDFZWDNCUNL-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059886977 554467618 /nfs/dbraw/zinc/46/76/18/554467618.db2.gz FWHDUBUAKQLLQJ-UHFFFAOYSA-N -1 3 625.725 4.656 40 0 KJABHM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)c1C ZINC000059887184 554468414 /nfs/dbraw/zinc/46/84/14/554468414.db2.gz NVVDQOVYGXOACR-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000059887187 554468360 /nfs/dbraw/zinc/46/83/60/554468360.db2.gz PLHDAGCWNKLFBY-UHFFFAOYSA-N -1 3 549.674 4.938 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059887362 554468692 /nfs/dbraw/zinc/46/86/92/554468692.db2.gz LUTYWEFGDDZHQI-UHFFFAOYSA-N -1 3 595.699 4.647 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccccc1Cl ZINC000059887417 554468628 /nfs/dbraw/zinc/46/86/28/554468628.db2.gz YVBGWXSHKZBPKG-UHFFFAOYSA-N -1 3 562.884 4.852 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059887455 554468651 /nfs/dbraw/zinc/46/86/51/554468651.db2.gz KQLXILXMHQHWDS-UHFFFAOYSA-N -1 3 565.673 4.638 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)cc1C ZINC000059887567 554468913 /nfs/dbraw/zinc/46/89/13/554468913.db2.gz CBVFCVOPGIWVRY-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059887792 554469718 /nfs/dbraw/zinc/46/97/18/554469718.db2.gz NZGCOZIYFHYNQY-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059887909 554469925 /nfs/dbraw/zinc/46/99/25/554469925.db2.gz MPCSMFKSHCKVHH-UHFFFAOYSA-N -1 3 595.699 4.729 40 0 KJABHM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059887957 554469990 /nfs/dbraw/zinc/46/99/90/554469990.db2.gz JUBZAZGDFTUCFB-UHFFFAOYSA-N -1 3 553.637 4.769 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000059887970 554469970 /nfs/dbraw/zinc/46/99/70/554469970.db2.gz BWZABKTYMSROJG-UHFFFAOYSA-N -1 3 613.689 4.786 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c2ccccc2)cc1 ZINC000059888354 554471060 /nfs/dbraw/zinc/47/10/60/554471060.db2.gz FNFNMKXHIFUWTP-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059888397 554471104 /nfs/dbraw/zinc/47/11/04/554471104.db2.gz LIRJKHTXBUEFSK-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(Br)cc1 ZINC000059888460 554471172 /nfs/dbraw/zinc/47/11/72/554471172.db2.gz KYROBCGAHDHQJR-UHFFFAOYSA-N -1 3 607.335 4.961 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1 ZINC000059888464 554471358 /nfs/dbraw/zinc/47/13/58/554471358.db2.gz LNDZQZABFWHJMD-UHFFFAOYSA-N -1 3 551.646 4.573 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)cc1 ZINC000059888534 554471299 /nfs/dbraw/zinc/47/12/99/554471299.db2.gz RBXIGEWYLXJKPE-UHFFFAOYSA-N -1 3 565.673 4.715 40 0 KJABHM CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1)c1ccccc1 ZINC000059888655 554471684 /nfs/dbraw/zinc/47/16/84/554471684.db2.gz NGPKEGWJRHOMCD-UHFFFAOYSA-N -1 3 553.637 4.845 40 0 KJABHM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059888701 554471567 /nfs/dbraw/zinc/47/15/67/554471567.db2.gz DNDBMUYMQBIWKS-UHFFFAOYSA-N -1 3 595.699 4.729 40 0 KJABHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccccc2F)cc1 ZINC000059888707 554471660 /nfs/dbraw/zinc/47/16/60/554471660.db2.gz PFYGBERGRJLTCL-UHFFFAOYSA-N -1 3 571.627 4.908 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000059888723 554471760 /nfs/dbraw/zinc/47/17/60/554471760.db2.gz UASVCMDVPQASNV-UHFFFAOYSA-N -1 3 616.117 4.992 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059888797 554471844 /nfs/dbraw/zinc/47/18/44/554471844.db2.gz TYMCQWVPKAQVMO-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cccc(Br)c1 ZINC000059888933 554472114 /nfs/dbraw/zinc/47/21/14/554472114.db2.gz KEOQEROCDMQNHG-UHFFFAOYSA-N -1 3 607.335 4.961 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000059888942 554472087 /nfs/dbraw/zinc/47/20/87/554472087.db2.gz WCTOYTVSSDSHEO-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059888962 554472127 /nfs/dbraw/zinc/47/21/27/554472127.db2.gz BEXJFWHTOCARAI-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)c1 ZINC000059888984 554472120 /nfs/dbraw/zinc/47/21/20/554472120.db2.gz YVVUCLHNKRVTLL-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)c(C)c1 ZINC000059923876 554474494 /nfs/dbraw/zinc/47/44/94/554474494.db2.gz JXPMMYDKSDSKGL-UHFFFAOYSA-N -1 3 541.695 4.672 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000059924695 554475824 /nfs/dbraw/zinc/47/58/24/554475824.db2.gz LOUVOOSTXZNCER-UHFFFAOYSA-N -1 3 568.504 4.972 40 0 KJABHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059929260 554477828 /nfs/dbraw/zinc/47/78/28/554477828.db2.gz PUZHJIKJSSRPAX-QHCPKHFHSA-N -1 3 552.911 4.885 40 0 KJABHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059929265 554477856 /nfs/dbraw/zinc/47/78/56/554477856.db2.gz PUZHJIKJSSRPAX-HSZRJFAPSA-N -1 3 552.911 4.885 40 0 KJABHM Cc1cccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C ZINC000059929301 554477848 /nfs/dbraw/zinc/47/78/48/554477848.db2.gz KVXHEFWGOCNOFL-XMMPIXPASA-N -1 3 546.520 4.849 40 0 KJABHM Cc1cccc(N2CCN(C(=O)[C@H](Cc3ccccc3)[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C ZINC000059929302 554477850 /nfs/dbraw/zinc/47/78/50/554477850.db2.gz KVXHEFWGOCNOFL-DEOSSOPVSA-N -1 3 546.520 4.849 40 0 KJABHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000059929306 554477868 /nfs/dbraw/zinc/47/78/68/554477868.db2.gz AJKBBTCCKYHGDR-WKMHLBOISA-N -1 3 558.531 4.741 40 0 KJABHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000059929309 554477820 /nfs/dbraw/zinc/47/78/20/554477820.db2.gz AJKBBTCCKYHGDR-PATFTRMSSA-N -1 3 558.531 4.741 40 0 KJABHM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000060017980 554488837 /nfs/dbraw/zinc/48/88/37/554488837.db2.gz QGAGCQNZBJDNIJ-UHFFFAOYSA-N -1 3 536.075 4.732 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000060028141 554490460 /nfs/dbraw/zinc/49/04/60/554490460.db2.gz GTRKUJCDILWFNQ-UHFFFAOYSA-N -1 3 548.086 4.709 40 0 KJABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000060028148 554490466 /nfs/dbraw/zinc/49/04/66/554490466.db2.gz CGGVPDRIWDYLBJ-UHFFFAOYSA-N -1 3 578.112 4.885 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 ZINC000060028261 554491715 /nfs/dbraw/zinc/49/17/15/554491715.db2.gz XCSKDHOUISKUNL-RUZDIDTESA-N -1 3 569.749 4.717 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 ZINC000060028262 554491685 /nfs/dbraw/zinc/49/16/85/554491685.db2.gz XCSKDHOUISKUNL-VWLOTQADSA-N -1 3 569.749 4.717 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)cc1C ZINC000060028621 554494048 /nfs/dbraw/zinc/49/40/48/554494048.db2.gz GCXQKYIPSJYAGH-RUZDIDTESA-N -1 3 569.749 4.717 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)cc1C ZINC000060028622 554494098 /nfs/dbraw/zinc/49/40/98/554494098.db2.gz GCXQKYIPSJYAGH-VWLOTQADSA-N -1 3 569.749 4.717 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000060028681 554494570 /nfs/dbraw/zinc/49/45/70/554494570.db2.gz NNYDADGERGRXTM-UHFFFAOYSA-N -1 3 610.527 4.570 40 0 KJABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000060028718 554494832 /nfs/dbraw/zinc/49/48/32/554494832.db2.gz LMNJRGYJPAVBGW-UHFFFAOYSA-N -1 3 564.085 4.576 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)cc1Cl ZINC000060028721 554495101 /nfs/dbraw/zinc/49/51/01/554495101.db2.gz OWLSQGXQDCQMKY-UHFFFAOYSA-N -1 3 528.439 4.726 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000060028815 554495931 /nfs/dbraw/zinc/49/59/31/554495931.db2.gz UUOCQNDRYABPFI-RUZDIDTESA-N -1 3 569.749 4.717 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000060028816 554495898 /nfs/dbraw/zinc/49/58/98/554495898.db2.gz UUOCQNDRYABPFI-VWLOTQADSA-N -1 3 569.749 4.717 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000060043162 554497679 /nfs/dbraw/zinc/49/76/79/554497679.db2.gz HVDIPRNYEKFCNC-UHFFFAOYSA-N -1 3 564.085 4.576 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)cc1 ZINC000060060187 554498705 /nfs/dbraw/zinc/49/87/05/554498705.db2.gz INTGIYUXQZFPBS-UHFFFAOYSA-N -1 3 606.564 4.739 40 0 KJABHM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)Oc2ccc(Cl)cc21 ZINC000060060317 554498886 /nfs/dbraw/zinc/49/88/86/554498886.db2.gz XSAYOBTVEPNMBF-OAQYLSRUSA-N -1 3 590.894 4.613 40 0 KJABHM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)Oc2ccc(Cl)cc21 ZINC000060060319 554498870 /nfs/dbraw/zinc/49/88/70/554498870.db2.gz XSAYOBTVEPNMBF-NRFANRHFSA-N -1 3 590.894 4.613 40 0 KJABHM CO[C@H]1c2cc(O)cc(c2[O-])NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C ZINC000066138787 554529188 /nfs/dbraw/zinc/52/91/88/554529188.db2.gz SVSFCSOFEPJFSF-MKAZPVBUSA-N -1 3 560.688 4.979 40 0 KJABHM CO[C@H]1c2cc(O)cc(c2[O-])NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@@H]1C ZINC000066138790 554529071 /nfs/dbraw/zinc/52/90/71/554529071.db2.gz SVSFCSOFEPJFSF-RLHYILTGSA-N -1 3 560.688 4.979 40 0 KJABHM CO[C@@H]1C[C@@H](C)[C@@H](OC)c2cc(O)cc(c2[O-])NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@H]1OC ZINC000066138792 554529143 /nfs/dbraw/zinc/52/91/43/554529143.db2.gz SVSFCSOFEPJFSF-UKDAJJAXSA-N -1 3 560.688 4.979 40 0 KJABHM CO[C@@H]1C[C@H](C)[C@@H](OC)c2cc(O)cc(c2[O-])NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@H]1OC ZINC000066138794 554529180 /nfs/dbraw/zinc/52/91/80/554529180.db2.gz SVSFCSOFEPJFSF-KNZTVYBZSA-N -1 3 560.688 4.979 40 0 KJABHM COc1ccccc1N1CCN(CC[C@H]2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC[C@H]2CC(=O)[O-])CC1 ZINC000067878648 291875229 /nfs/dbraw/zinc/87/52/29/291875229.db2.gz JOZUBUXWCXUVAZ-SFTDATJTSA-N -1 3 548.606 4.871 40 0 biogenic,in-vitro KJABHM CN(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1 ZINC000067878663 554534166 /nfs/dbraw/zinc/53/41/66/554534166.db2.gz XCZTVYXOQZKSMA-GOTSBHOMSA-N -1 3 546.634 4.537 40 0 biogenic,in-vitro KJABHM O=C([O-])C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000067878670 291880886 /nfs/dbraw/zinc/88/08/86/291880886.db2.gz ZVLSSCJDXNKHKC-ICSRJNTNSA-N -1 3 538.998 4.519 40 0 biogenic,in-vitro KJABHM CO[C@H]1c2cc(O)cc(c2[O-])NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C ZINC000067957246 554538093 /nfs/dbraw/zinc/53/80/93/554538093.db2.gz SVSFCSOFEPJFSF-YJNPBHRGSA-N -1 3 560.688 4.979 40 0 KJABHM CO[C@H]1c2cc(O)cc(c2[O-])NC(=O)/C(C)=C\C=C[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C ZINC000067957247 554538193 /nfs/dbraw/zinc/53/81/93/554538193.db2.gz SVSFCSOFEPJFSF-XGVXSWJBSA-N -1 3 560.688 4.979 40 0 KJABHM CO[C@H]1c2cc(O)cc(c2[O-])NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C ZINC000067957249 554538081 /nfs/dbraw/zinc/53/80/81/554538081.db2.gz SVSFCSOFEPJFSF-GVUVUUONSA-N -1 3 560.688 4.979 40 0 KJABHM O=C([O-])[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071980630 553639835 /nfs/dbraw/zinc/63/98/35/553639835.db2.gz IDOWHARXQFTBAV-IBGZPJMESA-N -1 3 516.438 4.642 40 0 KJABHM O=C([O-])[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000071980631 553639842 /nfs/dbraw/zinc/63/98/42/553639842.db2.gz IDOWHARXQFTBAV-LJQANCHMSA-N -1 3 516.438 4.642 40 0 KJABHM CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)CC[C@@H](C)O ZINC000072131433 1067209954 /nfs/dbraw/zinc/20/99/54/1067209954.db2.gz SBTQJNOSFHANBX-MNNSJKJDSA-N -1 3 541.652 4.791 40 0 KJABHM CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)CC[C@@H](C)O ZINC000072131433 1067209948 /nfs/dbraw/zinc/20/99/48/1067209948.db2.gz SBTQJNOSFHANBX-MNNSJKJDSA-N -1 3 541.652 4.791 40 0 KJABHM CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)CC[C@H](C)O ZINC000072131434 1067209862 /nfs/dbraw/zinc/20/98/62/1067209862.db2.gz SBTQJNOSFHANBX-ZTOMLWHTSA-N -1 3 541.652 4.791 40 0 KJABHM CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)CC[C@H](C)O ZINC000072131434 1067209845 /nfs/dbraw/zinc/20/98/45/1067209845.db2.gz SBTQJNOSFHANBX-ZTOMLWHTSA-N -1 3 541.652 4.791 40 0 KJABHM CCCc1nc(C(C)(C)OC)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072132426 1067210036 /nfs/dbraw/zinc/21/00/36/1067210036.db2.gz QGIZVTPMZFDUJS-UHFFFAOYSA-N -1 3 572.622 4.824 40 0 KJABHM CCCc1nc(C(C)(C)OC)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072132426 1067210031 /nfs/dbraw/zinc/21/00/31/1067210031.db2.gz QGIZVTPMZFDUJS-UHFFFAOYSA-N -1 3 572.622 4.824 40 0 KJABHM COc1cc(OC)c(C=C2N=C(C)N(N=c3[n-]nc(NN4C(=O)C(=Cc5c(OC)cc(OC)cc5OC)N=C4C)c4ccccc43)C2=O)c(OC)c1 ZINC000082190541 553675739 /nfs/dbraw/zinc/67/57/39/553675739.db2.gz BVAHCKSTLIRVSP-HJTNQMAYSA-N -1 3 708.732 4.939 40 0 KJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095116953 1067210396 /nfs/dbraw/zinc/21/03/96/1067210396.db2.gz ICHUWGMHBWFNPF-UHFFFAOYSA-N -1 3 501.413 4.628 40 0 KJABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095116956 1067210573 /nfs/dbraw/zinc/21/05/73/1067210573.db2.gz GTIICFLBYMXKCG-UHFFFAOYSA-N -1 3 509.049 4.900 40 0 KJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000095346110 553700772 /nfs/dbraw/zinc/70/07/72/553700772.db2.gz JAFRYOZMXQRUJI-KCHLEUMXSA-N -1 3 520.541 4.966 40 0 KJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000095346111 553700646 /nfs/dbraw/zinc/70/06/46/553700646.db2.gz JAFRYOZMXQRUJI-FCEKVYKBSA-N -1 3 520.541 4.966 40 0 KJABHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000095346135 553701077 /nfs/dbraw/zinc/70/10/77/553701077.db2.gz OXSDCKPRHHQRMH-QKDODKLFSA-N -1 3 502.567 4.934 40 0 KJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2sc(=O)n(-c3ccccc3)c2Cl)c1 ZINC000095483634 553702122 /nfs/dbraw/zinc/70/21/22/553702122.db2.gz OOMMYEXRWKFMJF-BDTNDASRSA-N -1 3 517.994 4.912 40 0 KJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2sc(=O)n(-c3ccccc3)c2Cl)c1 ZINC000095483635 553702104 /nfs/dbraw/zinc/70/21/04/553702104.db2.gz OOMMYEXRWKFMJF-FKBYEOEOSA-N -1 3 517.994 4.912 40 0 KJABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000095909123 553714750 /nfs/dbraw/zinc/71/47/50/553714750.db2.gz RWJVPNNPOYZWRN-SGNDLWITSA-N -1 3 506.942 4.576 40 0 KJABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000095909124 553714781 /nfs/dbraw/zinc/71/47/81/553714781.db2.gz RWJVPNNPOYZWRN-VXNXHJTFSA-N -1 3 506.942 4.576 40 0 KJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000096297848 553748522 /nfs/dbraw/zinc/74/85/22/553748522.db2.gz BKVGQQYQSQAJSB-VBOOUTDYSA-N -1 3 510.546 4.917 40 0 KJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000097953974 553820316 /nfs/dbraw/zinc/82/03/16/553820316.db2.gz AOSMQUGFTDUVIK-FUDKSRODSA-N -1 3 543.359 4.760 40 0 KJABHM O=c1sc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000097954031 553820554 /nfs/dbraw/zinc/82/05/54/553820554.db2.gz LCXZCSHRMYPTQK-HBMCJLEFSA-N -1 3 521.957 4.743 40 0 KJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000097954140 553821584 /nfs/dbraw/zinc/82/15/84/553821584.db2.gz QGGHOGJQZWHCFH-KCHLEUMXSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000097954141 553821677 /nfs/dbraw/zinc/82/16/77/553821677.db2.gz QGGHOGJQZWHCFH-IARZGTGTSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OS(=O)(=O)c2ccccc2)c1 ZINC000097954219 553822338 /nfs/dbraw/zinc/82/23/38/553822338.db2.gz AYBMZNQKYRKQDE-KCHLEUMXSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000097954255 553822656 /nfs/dbraw/zinc/82/26/56/553822656.db2.gz IRHSOAZMWCCHOB-IARZGTGTSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000097954553 553824061 /nfs/dbraw/zinc/82/40/61/553824061.db2.gz PZOAVUVOTVTTCY-IARZGTGTSA-N -1 3 540.597 4.814 40 0 KJABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000097954576 553824126 /nfs/dbraw/zinc/82/41/26/553824126.db2.gz CTCQFSBMMNVBBQ-FKBYEOEOSA-N -1 3 529.774 4.868 40 0 KJABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000097954627 553824414 /nfs/dbraw/zinc/82/44/14/553824414.db2.gz XPIBMGMTTNTAFQ-KCHLEUMXSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000097954845 553826045 /nfs/dbraw/zinc/82/60/45/553826045.db2.gz WVIQMLLJZZBOCT-IARZGTGTSA-N -1 3 540.597 4.814 40 0 KJABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000097954872 553826073 /nfs/dbraw/zinc/82/60/73/553826073.db2.gz LIBDXMDOAPMSDR-HJOGWXRNSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Br)ccc1OC ZINC000097954875 553826088 /nfs/dbraw/zinc/82/60/88/553826088.db2.gz JTIRNWDGRKBKGI-VXNXHJTFSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC)c(Br)c1 ZINC000097954890 553826396 /nfs/dbraw/zinc/82/63/96/553826396.db2.gz DEFWJFLZTDZMDE-HJOGWXRNSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC)c(Br)c1 ZINC000097954891 553826410 /nfs/dbraw/zinc/82/64/10/553826410.db2.gz DEFWJFLZTDZMDE-VXNXHJTFSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000097954996 553827151 /nfs/dbraw/zinc/82/71/51/553827151.db2.gz LZOAYYBRTWSPBI-HJOGWXRNSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000097954997 553827122 /nfs/dbraw/zinc/82/71/22/553827122.db2.gz LZOAYYBRTWSPBI-VXNXHJTFSA-N -1 3 523.383 4.908 40 0 KJABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000097955296 553830963 /nfs/dbraw/zinc/83/09/63/553830963.db2.gz UNGVCUZYNZMLNZ-KCHLEUMXSA-N -1 3 532.593 4.942 40 0 KJABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000097955297 553831038 /nfs/dbraw/zinc/83/10/38/553831038.db2.gz UNGVCUZYNZMLNZ-IARZGTGTSA-N -1 3 532.593 4.942 40 0 KJABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000097955716 553833208 /nfs/dbraw/zinc/83/32/08/553833208.db2.gz LMTASRWXQJSKHM-VBOOUTDYSA-N -1 3 532.593 4.942 40 0 KJABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000097955717 553833167 /nfs/dbraw/zinc/83/31/67/553833167.db2.gz LMTASRWXQJSKHM-OARDWFSCSA-N -1 3 532.593 4.942 40 0 KJABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000097955787 553833999 /nfs/dbraw/zinc/83/39/99/553833999.db2.gz LQOZLPOWRIIDBC-VABKMULXSA-N -1 3 509.356 4.517 40 0 KJABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000097955788 553834012 /nfs/dbraw/zinc/83/40/12/553834012.db2.gz LQOZLPOWRIIDBC-ZLNRFVROSA-N -1 3 509.356 4.517 40 0 KJABHM O=c1[n-]n(-c2ccccc2)c(=O)c2c(I)c(I)c(I)c(I)c12 ZINC000097959947 553867434 /nfs/dbraw/zinc/86/74/34/553867434.db2.gz QKMNUHTVPZINBD-UHFFFAOYSA-N -1 3 741.830 4.510 40 0 KJABHM O=C([N-]N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)c1cccc(Cl)c1 ZINC000098002749 554054455 /nfs/dbraw/zinc/05/44/55/554054455.db2.gz JSVPALAAQUZJBO-JSZXIJHASA-N -1 3 586.667 4.890 40 0 KJABHM O=C([N-]N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)c1cccc(Cl)c1 ZINC000098002750 554054510 /nfs/dbraw/zinc/05/45/10/554054510.db2.gz JSVPALAAQUZJBO-KVEMZPMDSA-N -1 3 586.667 4.890 40 0 KJABHM O=C([N-]N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)c1cccc(Cl)c1 ZINC000098002751 554054418 /nfs/dbraw/zinc/05/44/18/554054418.db2.gz JSVPALAAQUZJBO-SCAKWATOSA-N -1 3 586.667 4.890 40 0 KJABHM O=C(Nc1ccc(C2=N/C(=C\c3ccc(-c4ccc5c(c4)C(=O)[N-]C5=O)o3)C(=O)O2)cc1)c1cncc(Br)c1 ZINC000100057826 554197106 /nfs/dbraw/zinc/19/71/06/554197106.db2.gz CQWBDOREIPNEKO-JJFYIABZSA-N -1 3 583.354 4.585 40 0 KJABHM O=C(Nc1ccc(C2=N/C(=C/c3ccc(-c4ccc5c(c4)C(=O)[N-]C5=O)o3)C(=O)O2)cc1)c1cncc(Br)c1 ZINC000100057828 554197116 /nfs/dbraw/zinc/19/71/16/554197116.db2.gz CQWBDOREIPNEKO-SSDVNMTOSA-N -1 3 583.354 4.585 40 0 KJABHM CCCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000100069934 554200658 /nfs/dbraw/zinc/20/06/58/554200658.db2.gz UREFBEDUPPNTPO-UHFFFAOYSA-N -1 3 572.622 4.560 40 0 KJABHM CCCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000100069934 554200656 /nfs/dbraw/zinc/20/06/56/554200656.db2.gz UREFBEDUPPNTPO-UHFFFAOYSA-N -1 3 572.622 4.560 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)cc1C ZINC000100090020 554210315 /nfs/dbraw/zinc/21/03/15/554210315.db2.gz YHYIZXDGGWWCPN-LJAQVGFWSA-N -1 3 591.711 4.840 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)cc1C ZINC000100090025 554210292 /nfs/dbraw/zinc/21/02/92/554210292.db2.gz YHYIZXDGGWWCPN-GDLZYMKVSA-N -1 3 591.711 4.840 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)cc1 ZINC000100090644 554211033 /nfs/dbraw/zinc/21/10/33/554211033.db2.gz IDHLAGUGOCRKDW-LJQANCHMSA-N -1 3 612.557 4.983 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)cc1 ZINC000100090647 554211075 /nfs/dbraw/zinc/21/10/75/554211075.db2.gz IDHLAGUGOCRKDW-IBGZPJMESA-N -1 3 612.557 4.983 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)cc1 ZINC000100091067 554211166 /nfs/dbraw/zinc/21/11/66/554211166.db2.gz ASFXSGVHGCGVGC-UHFFFAOYSA-N -1 3 541.676 4.935 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)cc1 ZINC000100091204 554211431 /nfs/dbraw/zinc/21/14/31/554211431.db2.gz OOEPYBKUUOVAHR-NDEPHWFRSA-N -1 3 577.684 4.532 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)cc1 ZINC000100091207 554211413 /nfs/dbraw/zinc/21/14/13/554211413.db2.gz OOEPYBKUUOVAHR-MUUNZHRXSA-N -1 3 577.684 4.532 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000100091862 554212279 /nfs/dbraw/zinc/21/22/79/554212279.db2.gz GBFOOXDKWYAGTH-AREMUKBSSA-N -1 3 602.065 4.875 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000100091868 554212192 /nfs/dbraw/zinc/21/21/92/554212192.db2.gz GBFOOXDKWYAGTH-SANMLTNESA-N -1 3 602.065 4.875 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)CC3)cc2)cc1 ZINC000100091981 554212292 /nfs/dbraw/zinc/21/22/92/554212292.db2.gz SLYKTJJGEUMUSO-UHFFFAOYSA-N -1 3 612.557 4.983 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)CC3)cc2)cc1 ZINC000100092731 554213180 /nfs/dbraw/zinc/21/31/80/554213180.db2.gz PMMNYEMKCDPUDM-UHFFFAOYSA-N -1 3 612.557 4.983 40 0 KJABHM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1)S(C)(=O)=O ZINC000100093297 554214100 /nfs/dbraw/zinc/21/41/00/554214100.db2.gz QWFUTKMLYOBCHC-UHFFFAOYSA-N -1 3 542.466 4.832 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)cc2)cc1 ZINC000100093455 554213966 /nfs/dbraw/zinc/21/39/66/554213966.db2.gz ZTVAEZGIKGTIBO-GOSISDBHSA-N -1 3 612.557 4.983 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)cc2)cc1 ZINC000100093458 554214058 /nfs/dbraw/zinc/21/40/58/554214058.db2.gz ZTVAEZGIKGTIBO-SFHVURJKSA-N -1 3 612.557 4.983 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2)cc1C ZINC000100095624 554216261 /nfs/dbraw/zinc/21/62/61/554216261.db2.gz YGHMGPXLHZZQPH-UHFFFAOYSA-N -1 3 569.749 4.717 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)cc1 ZINC000100095896 554216542 /nfs/dbraw/zinc/21/65/42/554216542.db2.gz JRLHIQJBVLCPQM-GOSISDBHSA-N -1 3 612.557 4.983 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)cc1 ZINC000100095898 554216524 /nfs/dbraw/zinc/21/65/24/554216524.db2.gz JRLHIQJBVLCPQM-SFHVURJKSA-N -1 3 612.557 4.983 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4Cl)cc3)C2)cc1 ZINC000100096579 554217857 /nfs/dbraw/zinc/21/78/57/554217857.db2.gz KHQYPHBBSWLTJP-KRWDZBQOSA-N -1 3 598.530 4.842 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4Cl)cc3)C2)cc1 ZINC000100096583 554217923 /nfs/dbraw/zinc/21/79/23/554217923.db2.gz KHQYPHBBSWLTJP-QGZVFWFLSA-N -1 3 598.530 4.842 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2)c(C)c1 ZINC000100096608 554217844 /nfs/dbraw/zinc/21/78/44/554217844.db2.gz ALJJIROCXSXVEX-UHFFFAOYSA-N -1 3 569.749 4.717 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 ZINC000100110012 554221247 /nfs/dbraw/zinc/22/12/47/554221247.db2.gz AYKXAZJNDDXPMI-UHFFFAOYSA-N -1 3 533.572 4.542 40 0 KJABHM COc1cccc([C@@H]2[C@@H]3CCc4ccccc4[C@@H]3N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)c1 ZINC000100140697 554227988 /nfs/dbraw/zinc/22/79/88/554227988.db2.gz JMWUQTXUDWURDB-YFJWKDPESA-N -1 3 533.049 4.641 40 0 KJABHM COc1cccc([C@H]2[C@@H]3CCc4ccccc4[C@@H]3N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)c1 ZINC000100140698 554227867 /nfs/dbraw/zinc/22/78/67/554227867.db2.gz JMWUQTXUDWURDB-IEUKRLLWSA-N -1 3 533.049 4.641 40 0 KJABHM COc1cccc([C@@H]2[C@H]3CCc4ccccc4[C@@H]3N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)c1 ZINC000100140700 554227952 /nfs/dbraw/zinc/22/79/52/554227952.db2.gz JMWUQTXUDWURDB-RBSOWZMYSA-N -1 3 533.049 4.641 40 0 KJABHM COc1cccc([C@H]2[C@H]3CCc4ccccc4[C@@H]3N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)c1 ZINC000100140702 554227911 /nfs/dbraw/zinc/22/79/11/554227911.db2.gz JMWUQTXUDWURDB-ZVMHJYIVSA-N -1 3 533.049 4.641 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000100152771 554232008 /nfs/dbraw/zinc/23/20/08/554232008.db2.gz SPPVVITXFIOAPL-UHFFFAOYSA-N -1 3 541.673 4.800 40 0 KJABHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccc(Cl)cc1 ZINC000100354624 554333980 /nfs/dbraw/zinc/33/39/80/554333980.db2.gz HXALQJUHXQXEMW-TZIWHRDSSA-N -1 3 508.759 4.720 40 0 KJABHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccc(Cl)cc1 ZINC000100354625 554333918 /nfs/dbraw/zinc/33/39/18/554333918.db2.gz HXALQJUHXQXEMW-CTNGQTDRSA-N -1 3 508.759 4.720 40 0 KJABHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccc(Cl)cc1 ZINC000100354628 554333893 /nfs/dbraw/zinc/33/38/93/554333893.db2.gz HXALQJUHXQXEMW-PZJWPPBQSA-N -1 3 508.759 4.720 40 0 KJABHM CCOc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c(OCC)cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000100441014 554393651 /nfs/dbraw/zinc/39/36/51/554393651.db2.gz WVKVOUKFRCWBKU-UHFFFAOYSA-N -1 3 590.768 4.540 40 0 KJABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2c1nnn2Cc1c(Cl)cccc1Cl ZINC000100446414 554394531 /nfs/dbraw/zinc/39/45/31/554394531.db2.gz OQTGKEIQOMPIFK-UHFFFAOYSA-N -1 3 587.411 4.869 40 0 KJABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2c1nnn2Cc1ccc(Cl)cc1Cl ZINC000100446506 554394566 /nfs/dbraw/zinc/39/45/66/554394566.db2.gz BPTQXQSYSAFJAT-UHFFFAOYSA-N -1 3 587.411 4.869 40 0 KJABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2c1nnn2Cc1ccc(Cl)cc1Cl ZINC000100446511 554394645 /nfs/dbraw/zinc/39/46/45/554394645.db2.gz CJJBDJWLSYVERR-UHFFFAOYSA-N -1 3 587.411 4.869 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)cc1C ZINC000100448761 554395113 /nfs/dbraw/zinc/39/51/13/554395113.db2.gz VQBBGNTWOWPKGG-UHFFFAOYSA-N -1 3 506.365 4.961 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)c(C)c1 ZINC000100448835 554395079 /nfs/dbraw/zinc/39/50/79/554395079.db2.gz WSEGMSCANGVOME-UHFFFAOYSA-N -1 3 506.365 4.961 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)cc1 ZINC000100448847 554395099 /nfs/dbraw/zinc/39/50/99/554395099.db2.gz COLVEZDRQALQOG-UHFFFAOYSA-N -1 3 522.364 4.743 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000100448924 554395103 /nfs/dbraw/zinc/39/51/03/554395103.db2.gz UCDIWPHBIUYVNL-UHFFFAOYSA-N -1 3 506.365 4.961 40 0 KJABHM O=C(N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[n-]2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000100469778 554398753 /nfs/dbraw/zinc/39/87/53/554398753.db2.gz BEFCZISPLFFZFF-UHFFFAOYSA-N -1 3 535.023 4.986 40 0 KJABHM O=C(N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000100471752 554399172 /nfs/dbraw/zinc/39/91/72/554399172.db2.gz XZHYKPZJKFPVOC-UHFFFAOYSA-N -1 3 535.023 4.986 40 0 KJABHM O=c1c2c(nc3cc([C@@H]4CCCN(Cc5ccc(F)c(F)c5)C4)[n-]n31)CCN(Cc1ccc(F)c(F)c1)C2 ZINC000100493059 554403528 /nfs/dbraw/zinc/40/35/28/554403528.db2.gz PXDBXMRSFQXFHT-LJQANCHMSA-N -1 3 525.550 4.929 40 0 KJABHM O=c1c2c(nc3cc([C@H]4CCCN(Cc5ccc(F)c(F)c5)C4)[n-]n31)CCN(Cc1ccc(F)c(F)c1)C2 ZINC000100493062 554403469 /nfs/dbraw/zinc/40/34/69/554403469.db2.gz PXDBXMRSFQXFHT-IBGZPJMESA-N -1 3 525.550 4.929 40 0 KJABHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000100766318 554469840 /nfs/dbraw/zinc/46/98/40/554469840.db2.gz GOSDQROTNDDOBF-SGNDLWITSA-N -1 3 502.592 4.773 40 0 KJABHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000100766322 554469830 /nfs/dbraw/zinc/46/98/30/554469830.db2.gz GOSDQROTNDDOBF-VXNXHJTFSA-N -1 3 502.592 4.773 40 0 KJABHM CC1(C)O[C@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c3nc[n-]c4=O)[C@H]2O1 ZINC000100821292 554480398 /nfs/dbraw/zinc/48/03/98/554480398.db2.gz KCWRKFVKIDINBP-GRDZGFKTSA-N -1 3 550.615 4.546 40 0 KJABHM CC1(C)O[C@@H]2[C@H](n3cnc4c3nc[n-]c4=O)O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000100821295 554480727 /nfs/dbraw/zinc/48/07/27/554480727.db2.gz KCWRKFVKIDINBP-WJLKJTLYSA-N -1 3 550.615 4.546 40 0 KJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100884638 554508393 /nfs/dbraw/zinc/50/83/93/554508393.db2.gz DPSCPAUNQJIQFK-VJBWXMMDSA-N -1 3 509.356 4.517 40 0 KJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000100919349 554520817 /nfs/dbraw/zinc/52/08/17/554520817.db2.gz SLFHHAKBDIOKSZ-VSKRKVRLSA-N -1 3 517.994 4.912 40 0 KJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000100919354 554520766 /nfs/dbraw/zinc/52/07/66/554520766.db2.gz SLFHHAKBDIOKSZ-FSSWDIPSSA-N -1 3 517.994 4.912 40 0 KJABHM O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000100920027 554521092 /nfs/dbraw/zinc/52/10/92/554521092.db2.gz LCXZCSHRMYPTQK-HKBOAZHASA-N -1 3 521.957 4.743 40 0 KJABHM O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000100920030 554521058 /nfs/dbraw/zinc/52/10/58/554521058.db2.gz LCXZCSHRMYPTQK-NJYVYQBISA-N -1 3 521.957 4.743 40 0 KJABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1sc(=O)n(-c2ccccc2)c1Cl ZINC000100920651 554521083 /nfs/dbraw/zinc/52/10/83/554521083.db2.gz YFLRBLNXCVATHI-VSKRKVRLSA-N -1 3 517.994 4.912 40 0 KJABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1sc(=O)n(-c2ccccc2)c1Cl ZINC000100920653 554521357 /nfs/dbraw/zinc/52/13/57/554521357.db2.gz YFLRBLNXCVATHI-FSSWDIPSSA-N -1 3 517.994 4.912 40 0 KJABHM COc1cc(C=C2N=C(c3ccc(NC(=O)c4nc[n-]n4)cc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000100945146 554533749 /nfs/dbraw/zinc/53/37/49/554533749.db2.gz LIFQGUWGIXGDIF-MTJSOVHGSA-N -1 3 529.940 4.643 40 0 KJABHM COc1cc(C=C2N=C(c3ccc(NC(=O)c4nc[n-]n4)cc3)OC2=O)ccc1OCc1ccccc1Cl ZINC000100945148 554533729 /nfs/dbraw/zinc/53/37/29/554533729.db2.gz LIFQGUWGIXGDIF-CIAFOILYSA-N -1 3 529.940 4.643 40 0 KJABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101054576 554569252 /nfs/dbraw/zinc/56/92/52/554569252.db2.gz YSHCDVHRSBXTKW-VJBWXMMDSA-N -1 3 509.356 4.517 40 0 KJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000101081201 554578948 /nfs/dbraw/zinc/57/89/48/554578948.db2.gz AOSMQUGFTDUVIK-GIWBLDEGSA-N -1 3 543.359 4.760 40 0 KJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101097109 554584847 /nfs/dbraw/zinc/58/48/47/554584847.db2.gz GLCNHWBHNNLGNE-PKTNWEFCSA-N -1 3 520.541 4.966 40 0 KJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000101099026 554585951 /nfs/dbraw/zinc/58/59/51/554585951.db2.gz QGGHOGJQZWHCFH-PKTNWEFCSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000101099031 554585994 /nfs/dbraw/zinc/58/59/94/554585994.db2.gz QGGHOGJQZWHCFH-FCEKVYKBSA-N -1 3 540.597 4.814 40 0 KJABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000101099888 554586832 /nfs/dbraw/zinc/58/68/32/554586832.db2.gz YOQWWPKGYIQFCM-KCHLEUMXSA-N -1 3 520.541 4.966 40 0 KJABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000101099890 554586788 /nfs/dbraw/zinc/58/67/88/554586788.db2.gz YOQWWPKGYIQFCM-FCEKVYKBSA-N -1 3 520.541 4.966 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000101107731 554640446 /nfs/dbraw/zinc/64/04/46/554640446.db2.gz USMLGOCMAVDZAG-PVHODMMVSA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000101107736 554640528 /nfs/dbraw/zinc/64/05/28/554640528.db2.gz USMLGOCMAVDZAG-PFBJBMPXSA-N -1 3 518.566 4.552 40 0 KJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OS(=O)(=O)c2ccccc2)c1 ZINC000101108984 554640752 /nfs/dbraw/zinc/64/07/52/554640752.db2.gz AYBMZNQKYRKQDE-PKTNWEFCSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)c1 ZINC000101108990 554640718 /nfs/dbraw/zinc/64/07/18/554640718.db2.gz AYBMZNQKYRKQDE-FCEKVYKBSA-N -1 3 540.597 4.814 40 0 KJABHM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101112754 554642070 /nfs/dbraw/zinc/64/20/70/554642070.db2.gz XITPCMNFQGWLBM-PVHODMMVSA-N -1 3 502.567 4.934 40 0 KJABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000101113732 554642437 /nfs/dbraw/zinc/64/24/37/554642437.db2.gz IRHSOAZMWCCHOB-PKTNWEFCSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000101113741 554642386 /nfs/dbraw/zinc/64/23/86/554642386.db2.gz IRHSOAZMWCCHOB-FCEKVYKBSA-N -1 3 540.597 4.814 40 0 KJABHM COc1cc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101114986 554642828 /nfs/dbraw/zinc/64/28/28/554642828.db2.gz BVYWYZXWCUQGJJ-KCHLEUMXSA-N -1 3 510.546 4.917 40 0 KJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000101138214 554652059 /nfs/dbraw/zinc/65/20/59/554652059.db2.gz PZOAVUVOTVTTCY-PKTNWEFCSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000101138219 554652028 /nfs/dbraw/zinc/65/20/28/554652028.db2.gz PZOAVUVOTVTTCY-FCEKVYKBSA-N -1 3 540.597 4.814 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000101138994 554652318 /nfs/dbraw/zinc/65/23/18/554652318.db2.gz MSCMGAYIEHZOGR-DSITVLBTSA-N -1 3 508.958 4.894 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000101138999 554652256 /nfs/dbraw/zinc/65/22/56/554652256.db2.gz MSCMGAYIEHZOGR-SDHSZQHLSA-N -1 3 508.958 4.894 40 0 KJABHM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101140564 554653109 /nfs/dbraw/zinc/65/31/09/554653109.db2.gz BZYYLYYTEBWSRW-QKDODKLFSA-N -1 3 502.567 4.934 40 0 KJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101142541 554654313 /nfs/dbraw/zinc/65/43/13/554654313.db2.gz CTCQFSBMMNVBBQ-FSSWDIPSSA-N -1 3 529.774 4.868 40 0 KJABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000101144457 554655638 /nfs/dbraw/zinc/65/56/38/554655638.db2.gz XPIBMGMTTNTAFQ-PKTNWEFCSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000101144460 554655621 /nfs/dbraw/zinc/65/56/21/554655621.db2.gz XPIBMGMTTNTAFQ-FCEKVYKBSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000101174545 554662387 /nfs/dbraw/zinc/66/23/87/554662387.db2.gz WVIQMLLJZZBOCT-PKTNWEFCSA-N -1 3 540.597 4.814 40 0 KJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000101174548 554662411 /nfs/dbraw/zinc/66/24/11/554662411.db2.gz WVIQMLLJZZBOCT-FCEKVYKBSA-N -1 3 540.597 4.814 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000101178000 554665566 /nfs/dbraw/zinc/66/55/66/554665566.db2.gz DQBHENFMJQEKBL-DPZBCOQUSA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000101178007 554665465 /nfs/dbraw/zinc/66/54/65/554665465.db2.gz DQBHENFMJQEKBL-XFAFFCHDSA-N -1 3 518.566 4.552 40 0 KJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101181306 554667034 /nfs/dbraw/zinc/66/70/34/554667034.db2.gz DZNKLUCVFPQYRL-VJBWXMMDSA-N -1 3 509.356 4.517 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101183987 554668762 /nfs/dbraw/zinc/66/87/62/554668762.db2.gz YQHMCXNPSUVVDG-KLJDGLGGSA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101183992 554668782 /nfs/dbraw/zinc/66/87/82/554668782.db2.gz YQHMCXNPSUVVDG-WEWMWRJBSA-N -1 3 518.566 4.552 40 0 KJABHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101184954 554668935 /nfs/dbraw/zinc/66/89/35/554668935.db2.gz LRBKOSZXIYIYBS-QKDODKLFSA-N -1 3 502.567 4.934 40 0 KJABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000101185128 554668943 /nfs/dbraw/zinc/66/89/43/554668943.db2.gz LIBDXMDOAPMSDR-SGNDLWITSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000101185132 554668974 /nfs/dbraw/zinc/66/89/74/554668974.db2.gz LIBDXMDOAPMSDR-SMIHKQSGSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Br)ccc1OC ZINC000101186960 554669373 /nfs/dbraw/zinc/66/93/73/554669373.db2.gz JTIRNWDGRKBKGI-SGNDLWITSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Br)ccc1OC ZINC000101186971 554669400 /nfs/dbraw/zinc/66/94/00/554669400.db2.gz JTIRNWDGRKBKGI-SMIHKQSGSA-N -1 3 523.383 4.908 40 0 KJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC ZINC000101189290 554670342 /nfs/dbraw/zinc/67/03/42/554670342.db2.gz ORNQRVQPUKWWID-PBWSGDRGSA-N -1 3 510.546 4.917 40 0 KJABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC)c(Br)c1 ZINC000101192628 554670953 /nfs/dbraw/zinc/67/09/53/554670953.db2.gz DEFWJFLZTDZMDE-SGNDLWITSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC)c(Br)c1 ZINC000101192632 554671059 /nfs/dbraw/zinc/67/10/59/554671059.db2.gz DEFWJFLZTDZMDE-SMIHKQSGSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000101213319 554680469 /nfs/dbraw/zinc/68/04/69/554680469.db2.gz LZOAYYBRTWSPBI-SGNDLWITSA-N -1 3 523.383 4.908 40 0 KJABHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000101213323 554680492 /nfs/dbraw/zinc/68/04/92/554680492.db2.gz LZOAYYBRTWSPBI-SMIHKQSGSA-N -1 3 523.383 4.908 40 0 KJABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000101242087 554693439 /nfs/dbraw/zinc/69/34/39/554693439.db2.gz UNGVCUZYNZMLNZ-PKTNWEFCSA-N -1 3 532.593 4.942 40 0 KJABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000101242098 554693412 /nfs/dbraw/zinc/69/34/12/554693412.db2.gz UNGVCUZYNZMLNZ-FCEKVYKBSA-N -1 3 532.593 4.942 40 0 KJABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000101250650 554694052 /nfs/dbraw/zinc/69/40/52/554694052.db2.gz LMTASRWXQJSKHM-QQNWGBJXSA-N -1 3 532.593 4.942 40 0 KJABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000101250658 554694010 /nfs/dbraw/zinc/69/40/10/554694010.db2.gz LMTASRWXQJSKHM-SKVJQKLOSA-N -1 3 532.593 4.942 40 0 KJABHM COc1ccc(C([O-])=C2[C@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000101264146 554697934 /nfs/dbraw/zinc/69/79/34/554697934.db2.gz FGMSHBCQTMLNII-XQBPLPMBSA-N -1 3 539.304 4.822 40 0 KJABHM COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000101264151 554698119 /nfs/dbraw/zinc/69/81/19/554698119.db2.gz FGMSHBCQTMLNII-WOIUINJBSA-N -1 3 539.304 4.822 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000101450290 554775477 /nfs/dbraw/zinc/77/54/77/554775477.db2.gz FQSLLMZUJFJTRX-JGZDWKDESA-N -1 3 547.460 4.598 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000101450291 554775482 /nfs/dbraw/zinc/77/54/82/554775482.db2.gz FQSLLMZUJFJTRX-WYWXSHKMSA-N -1 3 547.460 4.598 40 0 KJABHM COc1ccc(C=CC(=O)[N-]C(=O)c2ccccc2OCC(=O)c2ccc(Br)cc2)cc1OC ZINC000101581177 554800097 /nfs/dbraw/zinc/80/00/97/554800097.db2.gz PNFOIHODOMDBDW-RIYZIHGNSA-N -1 3 524.367 4.698 40 0 KJABHM CC(=O)Oc1ccc(C(=O)[C@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590312 554802529 /nfs/dbraw/zinc/80/25/29/554802529.db2.gz XJOPJYXYFWDENA-XWJIURCXSA-N -1 3 555.590 4.863 40 0 KJABHM CC(=O)Oc1ccc(C(=O)[C@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590322 554802498 /nfs/dbraw/zinc/80/24/98/554802498.db2.gz XJOPJYXYFWDENA-YQQRZDPSSA-N -1 3 555.590 4.863 40 0 KJABHM COCc1nn2c(nnc3c2ccn([N-]C(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000102353195 554914339 /nfs/dbraw/zinc/91/43/39/554914339.db2.gz PCSBHAPNDVUFOV-UHFFFAOYSA-N -1 3 529.771 4.597 40 0 KJABHM O=C(Nc1ccc(Br)cc1)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356319 554915129 /nfs/dbraw/zinc/91/51/29/554915129.db2.gz CETIJLTZXNCOOY-CQSZACIVSA-N -1 3 523.174 4.647 40 0 KJABHM O=C(Nc1ccc(Br)cc1)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000102356320 554915150 /nfs/dbraw/zinc/91/51/50/554915150.db2.gz CETIJLTZXNCOOY-AWEZNQCLSA-N -1 3 523.174 4.647 40 0 KJABHM O=C(Nc1ccc(Br)cc1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356436 554915451 /nfs/dbraw/zinc/91/54/51/554915451.db2.gz OWELASOEUWKBJT-GFCCVEGCSA-N -1 3 523.174 4.647 40 0 KJABHM O=C(Nc1ccc(Br)cc1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000102356439 554915436 /nfs/dbraw/zinc/91/54/36/554915436.db2.gz OWELASOEUWKBJT-LBPRGKRZSA-N -1 3 523.174 4.647 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1 ZINC000102356817 554915467 /nfs/dbraw/zinc/91/54/67/554915467.db2.gz JPFBDMWQUVRJMG-GOSISDBHSA-N -1 3 543.502 4.554 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1 ZINC000102356822 554915445 /nfs/dbraw/zinc/91/54/45/554915445.db2.gz JPFBDMWQUVRJMG-SFHVURJKSA-N -1 3 543.502 4.554 40 0 KJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000102416004 1067212467 /nfs/dbraw/zinc/21/24/67/1067212467.db2.gz VKLCEJOPLCFTLH-UHFFFAOYSA-N -1 3 545.864 4.737 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)c(C(=O)OC)c1C ZINC000102481960 554937488 /nfs/dbraw/zinc/93/74/88/554937488.db2.gz GSQZDYYGRHMAIA-HKBOAZHASA-N -1 3 555.008 4.724 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)c(C(=O)OC)c1C ZINC000102481964 554937475 /nfs/dbraw/zinc/93/74/75/554937475.db2.gz GSQZDYYGRHMAIA-ACRUOGEOSA-N -1 3 555.008 4.724 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)c(C(=O)OC)c1C ZINC000102481967 554937466 /nfs/dbraw/zinc/93/74/66/554937466.db2.gz GSQZDYYGRHMAIA-NJYVYQBISA-N -1 3 555.008 4.724 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)c(C(=O)OC)c1C ZINC000102481971 554937480 /nfs/dbraw/zinc/93/74/80/554937480.db2.gz GSQZDYYGRHMAIA-HBMCJLEFSA-N -1 3 555.008 4.724 40 0 KJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000102698336 555012065 /nfs/dbraw/zinc/01/20/65/555012065.db2.gz DPSCPAUNQJIQFK-XPWALMASSA-N -1 3 509.356 4.517 40 0 KJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102734926 555024999 /nfs/dbraw/zinc/02/49/99/555024999.db2.gz AOSMQUGFTDUVIK-FUPPJEDESA-N -1 3 543.359 4.760 40 0 KJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102739190 555027735 /nfs/dbraw/zinc/02/77/35/555027735.db2.gz GLCNHWBHNNLGNE-OZNIXHKMSA-N -1 3 520.541 4.966 40 0 KJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102739600 555028115 /nfs/dbraw/zinc/02/81/15/555028115.db2.gz PZHYBGUBOYUARH-QKDODKLFSA-N -1 3 544.560 4.645 40 0 KJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102739608 555028148 /nfs/dbraw/zinc/02/81/48/555028148.db2.gz PZHYBGUBOYUARH-PVHODMMVSA-N -1 3 544.560 4.645 40 0 KJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102743216 555033851 /nfs/dbraw/zinc/03/38/51/555033851.db2.gz HIWDNABESQCEPP-VJGNERBWSA-N -1 3 544.560 4.645 40 0 KJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102743220 555033861 /nfs/dbraw/zinc/03/38/61/555033861.db2.gz HIWDNABESQCEPP-PFBJBMPXSA-N -1 3 544.560 4.645 40 0 KJABHM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102743935 555035000 /nfs/dbraw/zinc/03/50/00/555035000.db2.gz XITPCMNFQGWLBM-KWXIBIRDSA-N -1 3 502.567 4.934 40 0 KJABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102744412 555035511 /nfs/dbraw/zinc/03/55/11/555035511.db2.gz GZQFZDNPGFECFD-PFBJBMPXSA-N -1 3 526.570 4.505 40 0 KJABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102744417 555035397 /nfs/dbraw/zinc/03/53/97/555035397.db2.gz GZQFZDNPGFECFD-VJGNERBWSA-N -1 3 526.570 4.505 40 0 KJABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102744420 555035526 /nfs/dbraw/zinc/03/55/26/555035526.db2.gz GZQFZDNPGFECFD-PVHODMMVSA-N -1 3 526.570 4.505 40 0 KJABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102744423 555035410 /nfs/dbraw/zinc/03/54/10/555035410.db2.gz GZQFZDNPGFECFD-QKDODKLFSA-N -1 3 526.570 4.505 40 0 KJABHM COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102744841 555036150 /nfs/dbraw/zinc/03/61/50/555036150.db2.gz BVYWYZXWCUQGJJ-OZNIXHKMSA-N -1 3 510.546 4.917 40 0 KJABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102746133 555038357 /nfs/dbraw/zinc/03/83/57/555038357.db2.gz MNBFKRRRPRIYNW-PFBJBMPXSA-N -1 3 526.570 4.505 40 0 KJABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102746137 555038379 /nfs/dbraw/zinc/03/83/79/555038379.db2.gz MNBFKRRRPRIYNW-VJGNERBWSA-N -1 3 526.570 4.505 40 0 KJABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102746139 555038414 /nfs/dbraw/zinc/03/84/14/555038414.db2.gz MNBFKRRRPRIYNW-PVHODMMVSA-N -1 3 526.570 4.505 40 0 KJABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102746144 555038387 /nfs/dbraw/zinc/03/83/87/555038387.db2.gz MNBFKRRRPRIYNW-QKDODKLFSA-N -1 3 526.570 4.505 40 0 KJABHM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102751486 555044571 /nfs/dbraw/zinc/04/45/71/555044571.db2.gz BZYYLYYTEBWSRW-KWXIBIRDSA-N -1 3 502.567 4.934 40 0 KJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102751852 555044854 /nfs/dbraw/zinc/04/48/54/555044854.db2.gz CTCQFSBMMNVBBQ-BHIFYINESA-N -1 3 529.774 4.868 40 0 KJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102753491 555045490 /nfs/dbraw/zinc/04/54/90/555045490.db2.gz OXSDCKPRHHQRMH-KWXIBIRDSA-N -1 3 502.567 4.934 40 0 KJABHM C[C@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)N(C)N1 ZINC000102754623 555046680 /nfs/dbraw/zinc/04/66/80/555046680.db2.gz PJAHPKZIAHIBAP-FFNFBXRSSA-N -1 3 581.456 4.547 40 0 KJABHM C[C@@H]1C[C@@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)N(C)N1 ZINC000102754626 555046695 /nfs/dbraw/zinc/04/66/95/555046695.db2.gz PJAHPKZIAHIBAP-UUYWAIKUSA-N -1 3 581.456 4.547 40 0 KJABHM C[C@H]1C[C@@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)N(C)N1 ZINC000102754629 555046714 /nfs/dbraw/zinc/04/67/14/555046714.db2.gz PJAHPKZIAHIBAP-FQBRGSQESA-N -1 3 581.456 4.547 40 0 KJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102759402 555051178 /nfs/dbraw/zinc/05/11/78/555051178.db2.gz DZNKLUCVFPQYRL-XPWALMASSA-N -1 3 509.356 4.517 40 0 KJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC ZINC000102760114 555051854 /nfs/dbraw/zinc/05/18/54/555051854.db2.gz ORNQRVQPUKWWID-FULLSBAXSA-N -1 3 510.546 4.917 40 0 KJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000102762704 555053335 /nfs/dbraw/zinc/05/33/35/555053335.db2.gz BKVGQQYQSQAJSB-CERRFVOPSA-N -1 3 510.546 4.917 40 0 KJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102764878 555054290 /nfs/dbraw/zinc/05/42/90/555054290.db2.gz MFMQLAJBLUGMMX-UODIDJSMSA-N -1 3 516.550 4.623 40 0 KJABHM CO[C@H]1c2cc(O)cc(c2[O-])NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@H]1C ZINC000102850696 555085535 /nfs/dbraw/zinc/08/55/35/555085535.db2.gz SVSFCSOFEPJFSF-WRFIQSCOSA-N -1 3 560.688 4.979 40 0 KJABHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1cccs1)CCCC2 ZINC000102860653 555090858 /nfs/dbraw/zinc/09/08/58/555090858.db2.gz WSKABRHZVHHUGL-FKBYEOEOSA-N -1 3 508.621 4.835 40 0 KJABHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccccc1)CCCC2 ZINC000102863206 555092905 /nfs/dbraw/zinc/09/29/05/555092905.db2.gz SZKOLGDUOUMZTP-HJOGWXRNSA-N -1 3 502.592 4.773 40 0 KJABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000102869928 555099744 /nfs/dbraw/zinc/09/97/44/555099744.db2.gz IQKRQHMQRDFVAH-ULNSLHSMSA-N -1 3 550.567 4.974 40 0 KJABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000102869930 555099867 /nfs/dbraw/zinc/09/98/67/555099867.db2.gz IQKRQHMQRDFVAH-AWCRTANDSA-N -1 3 550.567 4.974 40 0 KJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000102885247 555115468 /nfs/dbraw/zinc/11/54/68/555115468.db2.gz RLZDRXPLIPXJAK-KCHLEUMXSA-N -1 3 556.596 4.514 40 0 KJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000102885248 555115461 /nfs/dbraw/zinc/11/54/61/555115461.db2.gz RLZDRXPLIPXJAK-FCEKVYKBSA-N -1 3 556.596 4.514 40 0 KJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000102885249 555115484 /nfs/dbraw/zinc/11/54/84/555115484.db2.gz RLZDRXPLIPXJAK-IARZGTGTSA-N -1 3 556.596 4.514 40 0 KJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000102888610 555121925 /nfs/dbraw/zinc/12/19/25/555121925.db2.gz DBDWNCIYSTXCGQ-ULNSLHSMSA-N -1 3 550.567 4.974 40 0 KJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000102888611 555121802 /nfs/dbraw/zinc/12/18/02/555121802.db2.gz DBDWNCIYSTXCGQ-AWCRTANDSA-N -1 3 550.567 4.974 40 0 KJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000102888613 555121869 /nfs/dbraw/zinc/12/18/69/555121869.db2.gz DBDWNCIYSTXCGQ-NLDZOOGBSA-N -1 3 550.567 4.974 40 0 KJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000102888615 555121932 /nfs/dbraw/zinc/12/19/32/555121932.db2.gz DBDWNCIYSTXCGQ-NHKHRBQYSA-N -1 3 550.567 4.974 40 0 KJABHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103534191 555434373 /nfs/dbraw/zinc/43/43/73/555434373.db2.gz QOGNHDGKUZYEBQ-NSBPXKJOSA-N -1 3 528.992 4.919 40 0 KJABHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103534197 555434361 /nfs/dbraw/zinc/43/43/61/555434361.db2.gz QOGNHDGKUZYEBQ-KMFVSHEXSA-N -1 3 528.992 4.919 40 0 KJABHM O=C(CCSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000103539957 555437727 /nfs/dbraw/zinc/43/77/27/555437727.db2.gz UYQLFQXSYDYIRZ-UHFFFAOYSA-N -1 3 548.422 4.701 40 0 KJABHM O=C(CCSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000103540078 555438059 /nfs/dbraw/zinc/43/80/59/555438059.db2.gz DASHECJJBKTVHV-UHFFFAOYSA-N -1 3 533.013 4.537 40 0 KJABHM COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103790921 555480560 /nfs/dbraw/zinc/48/05/60/555480560.db2.gz BOWPSIUKOMNOFU-JAYSWQADSA-N -1 3 575.484 4.804 40 0 KJABHM COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000103790926 555480528 /nfs/dbraw/zinc/48/05/28/555480528.db2.gz BOWPSIUKOMNOFU-KEQCBNTKSA-N -1 3 575.484 4.804 40 0 KJABHM CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000103841407 571362313 /nfs/dbraw/zinc/36/23/13/571362313.db2.gz QUXDUUHGGFELHV-JPFXZVHCSA-N -1 3 619.017 4.870 40 0 KJABHM CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000103841411 571362252 /nfs/dbraw/zinc/36/22/52/571362252.db2.gz QUXDUUHGGFELHV-BXDIUNCMSA-N -1 3 619.017 4.870 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1[O-] ZINC000103891694 571368685 /nfs/dbraw/zinc/36/86/85/571368685.db2.gz QHKODQDUGCDSDK-ZDGAQAAHSA-N -1 3 563.448 4.935 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1[O-] ZINC000103891699 571368763 /nfs/dbraw/zinc/36/87/63/571368763.db2.gz QHKODQDUGCDSDK-AQIZGWBQSA-N -1 3 563.448 4.935 40 0 KJABHM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(Br)ccc4[O-])c(=O)n31)c1ccccc1CC2 ZINC000104655022 571383529 /nfs/dbraw/zinc/38/35/29/571383529.db2.gz UYXWEZPAPLUOIC-LMSRTUJASA-N -1 3 545.458 4.795 40 0 KJABHM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(Br)ccc4[O-])c(=O)n31)c1ccccc1CC2 ZINC000104655026 571383513 /nfs/dbraw/zinc/38/35/13/571383513.db2.gz UYXWEZPAPLUOIC-RISWYLRJSA-N -1 3 545.458 4.795 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc(Br)c1[O-] ZINC000104655566 571383762 /nfs/dbraw/zinc/38/37/62/571383762.db2.gz ZXRATSIDCUOWIA-LMSRTUJASA-N -1 3 575.484 4.804 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc(Br)c1[O-] ZINC000104655570 571383776 /nfs/dbraw/zinc/38/37/76/571383776.db2.gz ZXRATSIDCUOWIA-RISWYLRJSA-N -1 3 575.484 4.804 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000104655576 571383733 /nfs/dbraw/zinc/38/37/33/571383733.db2.gz OERGZEPHTYFEIJ-LMSRTUJASA-N -1 3 622.484 4.646 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000104655580 571383740 /nfs/dbraw/zinc/38/37/40/571383740.db2.gz OERGZEPHTYFEIJ-RISWYLRJSA-N -1 3 622.484 4.646 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1[O-] ZINC000104655921 571383768 /nfs/dbraw/zinc/38/37/68/571383768.db2.gz AFMVKKDJDYRZOA-LMSRTUJASA-N -1 3 531.033 4.695 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1[O-] ZINC000104655927 571383742 /nfs/dbraw/zinc/38/37/42/571383742.db2.gz AFMVKKDJDYRZOA-RISWYLRJSA-N -1 3 531.033 4.695 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)ccc5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656939 571384211 /nfs/dbraw/zinc/38/42/11/571384211.db2.gz JAKVANNHSWXMGR-LMSRTUJASA-N -1 3 545.458 4.795 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)ccc5[O-])c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656944 571384231 /nfs/dbraw/zinc/38/42/31/571384231.db2.gz JAKVANNHSWXMGR-RISWYLRJSA-N -1 3 545.458 4.795 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657464 571384339 /nfs/dbraw/zinc/38/43/39/571384339.db2.gz QXCJXPPGQCMPQX-LMSRTUJASA-N -1 3 575.484 4.804 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657470 571384303 /nfs/dbraw/zinc/38/43/03/571384303.db2.gz QXCJXPPGQCMPQX-RISWYLRJSA-N -1 3 575.484 4.804 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657476 571384350 /nfs/dbraw/zinc/38/43/50/571384350.db2.gz BYCNSIGAJQOEHN-LMSRTUJASA-N -1 3 622.484 4.646 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657480 571384319 /nfs/dbraw/zinc/38/43/19/571384319.db2.gz BYCNSIGAJQOEHN-RISWYLRJSA-N -1 3 622.484 4.646 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657835 571384462 /nfs/dbraw/zinc/38/44/62/571384462.db2.gz HFXWDVYIGIXVCT-LMSRTUJASA-N -1 3 531.033 4.695 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104657842 571384447 /nfs/dbraw/zinc/38/44/47/571384447.db2.gz HFXWDVYIGIXVCT-RISWYLRJSA-N -1 3 531.033 4.695 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Cl)ccc5[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104657889 571384454 /nfs/dbraw/zinc/38/44/54/571384454.db2.gz YIZZWHUGIRTJGC-CRCYZHLCSA-N -1 3 531.033 4.695 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Cl)ccc5[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104657895 571384412 /nfs/dbraw/zinc/38/44/12/571384412.db2.gz YIZZWHUGIRTJGC-FQKMCRJQSA-N -1 3 531.033 4.695 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)ccc5[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658100 571384449 /nfs/dbraw/zinc/38/44/49/571384449.db2.gz BVEYWOWTPRELSC-SUAMDDGLSA-N -1 3 575.484 4.804 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)ccc5[O-])c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658106 571384452 /nfs/dbraw/zinc/38/44/52/571384452.db2.gz BVEYWOWTPRELSC-MFCBUNOESA-N -1 3 575.484 4.804 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658544 571384617 /nfs/dbraw/zinc/38/46/17/571384617.db2.gz IDYPLSCMTZYTGF-ORVZPOCUSA-N -1 3 605.510 4.813 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000104658550 571384649 /nfs/dbraw/zinc/38/46/49/571384649.db2.gz IDYPLSCMTZYTGF-IYVASWNSSA-N -1 3 605.510 4.813 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000105177852 571391819 /nfs/dbraw/zinc/39/18/19/571391819.db2.gz ZSFNSOZTGRRRJP-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1C ZINC000105269191 571392567 /nfs/dbraw/zinc/39/25/67/571392567.db2.gz JUMBKQMOFHGUQX-GOSISDBHSA-N -1 3 536.075 4.551 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1C ZINC000105269195 571392575 /nfs/dbraw/zinc/39/25/75/571392575.db2.gz JUMBKQMOFHGUQX-SFHVURJKSA-N -1 3 536.075 4.551 40 0 KJABHM COc1ccc(NC(=O)CNC(=O)C23C[C@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000105308329 571395080 /nfs/dbraw/zinc/39/50/80/571395080.db2.gz HUQWHAICOOUAJL-PISAZTPISA-N -1 3 566.507 4.782 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000105500332 571406454 /nfs/dbraw/zinc/40/64/54/571406454.db2.gz CTLHLQOLOYQCJO-FQWZWQHVSA-N -1 3 550.636 4.819 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000105500335 571406450 /nfs/dbraw/zinc/40/64/50/571406450.db2.gz CTLHLQOLOYQCJO-LRUGRNCASA-N -1 3 550.636 4.819 40 0 KJABHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000105552301 571407533 /nfs/dbraw/zinc/40/75/33/571407533.db2.gz YEEOIOKTPPHZHS-UHFFFAOYSA-N -1 3 613.689 4.868 40 0 KJABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccc(I)cc1 ZINC000105590015 571407847 /nfs/dbraw/zinc/40/78/47/571407847.db2.gz TWVQJLUOQPAGSP-UHFFFAOYSA-N -1 3 528.375 4.975 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)cc1C ZINC000105984153 571409923 /nfs/dbraw/zinc/40/99/23/571409923.db2.gz BBUDVNNTKNWBAJ-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)cc2)cc1 ZINC000106131268 571411376 /nfs/dbraw/zinc/41/13/76/571411376.db2.gz SXMHZVIWCBZYFV-UHFFFAOYSA-N -1 3 565.673 4.882 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)cc1C ZINC000106443701 571412629 /nfs/dbraw/zinc/41/26/29/571412629.db2.gz MAAKYSJOFFQABT-UHFFFAOYSA-N -1 3 580.526 4.580 40 0 KJABHM COc1cc(Br)c(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1[O-] ZINC000106710225 571415192 /nfs/dbraw/zinc/41/51/92/571415192.db2.gz IGZOJBSJUMDZES-AUWJEWJLSA-N -1 3 542.205 4.601 40 0 KJABHM CCOc1cc(Br)c(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1[O-] ZINC000106711734 571415399 /nfs/dbraw/zinc/41/53/99/571415399.db2.gz LHNDHNIJEGXUNK-NVNXTCNLSA-N -1 3 556.232 4.991 40 0 KJABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106724139 571416163 /nfs/dbraw/zinc/41/61/63/571416163.db2.gz SDJAWYLUERNTDJ-NVNXTCNLSA-N -1 3 516.154 4.996 40 0 KJABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccccc1Br ZINC000106725855 571416323 /nfs/dbraw/zinc/41/63/23/571416323.db2.gz VNVWRMSAFXYNIJ-NVNXTCNLSA-N -1 3 516.154 4.996 40 0 KJABHM COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(Cl)c1[O-] ZINC000106737768 571416900 /nfs/dbraw/zinc/41/69/00/571416900.db2.gz SGHBLHSMQPDTIO-NVNXTCNLSA-N -1 3 501.729 4.895 40 0 KJABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000106738386 571416975 /nfs/dbraw/zinc/41/69/75/571416975.db2.gz RRNYAYUGKQHVEV-XRVIQIRUSA-N -1 3 515.712 4.615 40 0 KJABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccc(I)cc1 ZINC000106751293 571417586 /nfs/dbraw/zinc/41/75/86/571417586.db2.gz LYBUXTPYBNXUPD-NVNXTCNLSA-N -1 3 563.154 4.838 40 0 KJABHM CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(I)c1[O-] ZINC000106764198 571418097 /nfs/dbraw/zinc/41/80/97/571418097.db2.gz QNHGMNOZAOGFHZ-ATVHPVEESA-N -1 3 511.337 4.511 40 0 KJABHM CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(I)c1[O-] ZINC000106781814 571418176 /nfs/dbraw/zinc/41/81/76/571418176.db2.gz KBEOUCUWHAQNGN-PDGQHHTCSA-N -1 3 525.364 4.819 40 0 KJABHM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000107664965 571420662 /nfs/dbraw/zinc/42/06/62/571420662.db2.gz FQVNFFNZBQWMKS-HNNXBMFYSA-N -1 3 542.466 4.587 40 0 KJABHM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000107664969 571420676 /nfs/dbraw/zinc/42/06/76/571420676.db2.gz FQVNFFNZBQWMKS-OAHLLOKOSA-N -1 3 542.466 4.587 40 0 KJABHM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000107806664 571421265 /nfs/dbraw/zinc/42/12/65/571421265.db2.gz XJRWBCKJHMHVES-UHFFFAOYSA-N -1 3 601.653 4.998 40 0 KJABHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000107852914 571421445 /nfs/dbraw/zinc/42/14/45/571421445.db2.gz RMNJLUWXOSIIJM-UHFFFAOYSA-N -1 3 601.653 4.998 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000107861146 571421429 /nfs/dbraw/zinc/42/14/29/571421429.db2.gz ASEIFYJVCNMDKH-UHFFFAOYSA-N -1 3 583.663 4.859 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000108054899 571422055 /nfs/dbraw/zinc/42/20/55/571422055.db2.gz UDEAQUABUVVYNX-UHFFFAOYSA-N -1 3 613.689 4.868 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000108194807 571422596 /nfs/dbraw/zinc/42/25/96/571422596.db2.gz FIHJQMNDLMUCBI-UHFFFAOYSA-N -1 3 587.626 4.608 40 0 KJABHM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)cc1C ZINC000108290064 571423009 /nfs/dbraw/zinc/42/30/09/571423009.db2.gz QRGCISHDLMCNRS-SFHVURJKSA-N -1 3 536.075 4.551 40 0 KJABHM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)cc1C ZINC000108290069 571423002 /nfs/dbraw/zinc/42/30/02/571423002.db2.gz QRGCISHDLMCNRS-GOSISDBHSA-N -1 3 536.075 4.551 40 0 KJABHM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)S(C)(=O)=O)cc1 ZINC000108332421 571423450 /nfs/dbraw/zinc/42/34/50/571423450.db2.gz BOJHFKOVMWYVSZ-INIZCTEOSA-N -1 3 556.493 4.896 40 0 KJABHM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)S(C)(=O)=O)cc1 ZINC000108332425 571423541 /nfs/dbraw/zinc/42/35/41/571423541.db2.gz BOJHFKOVMWYVSZ-MRXNPFEDSA-N -1 3 556.493 4.896 40 0 KJABHM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)cc2)cc1OC ZINC000108356618 571423544 /nfs/dbraw/zinc/42/35/44/571423544.db2.gz CGGQZJMANYGGEK-UHFFFAOYSA-N -1 3 595.699 4.890 40 0 KJABHM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000108951044 571427846 /nfs/dbraw/zinc/42/78/46/571427846.db2.gz WHGGMUOROUVLIV-INIZCTEOSA-N -1 3 556.493 4.896 40 0 KJABHM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(C)(=O)=O)cc1 ZINC000108951048 571427839 /nfs/dbraw/zinc/42/78/39/571427839.db2.gz WHGGMUOROUVLIV-MRXNPFEDSA-N -1 3 556.493 4.896 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000110448326 571431365 /nfs/dbraw/zinc/43/13/65/571431365.db2.gz QPSRRMZZWRRMNW-UHFFFAOYSA-N -1 3 542.466 4.507 40 0 KJABHM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000112236710 571434723 /nfs/dbraw/zinc/43/47/23/571434723.db2.gz XVBYQBMPOZGFLM-UHFFFAOYSA-N -1 3 542.466 4.832 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000112236787 571434695 /nfs/dbraw/zinc/43/46/95/571434695.db2.gz YOOCPLWLXZSVMP-UHFFFAOYSA-N -1 3 543.711 4.906 40 0 KJABHM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000112236938 571434755 /nfs/dbraw/zinc/43/47/55/571434755.db2.gz IRYOANLWRCWIDA-UHFFFAOYSA-N -1 3 543.711 4.906 40 0 KJABHM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000112250565 571436456 /nfs/dbraw/zinc/43/64/56/571436456.db2.gz QMJWACRUWUTBMJ-UHFFFAOYSA-N -1 3 542.466 4.832 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000112256633 571437563 /nfs/dbraw/zinc/43/75/63/571437563.db2.gz LBFXNMOITLGWAY-UHFFFAOYSA-N -1 3 559.710 4.688 40 0 KJABHM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000112256964 571437715 /nfs/dbraw/zinc/43/77/15/571437715.db2.gz SJGJBWDJZSGDNK-UHFFFAOYSA-N -1 3 550.102 4.943 40 0 KJABHM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)S(=O)(=O)N(C)C)c1 ZINC000113490466 571439247 /nfs/dbraw/zinc/43/92/47/571439247.db2.gz FISOTXSFHKAABG-UHFFFAOYSA-N -1 3 585.535 4.663 40 0 KJABHM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(=O)(=O)N(C)C)c1 ZINC000113491482 571439394 /nfs/dbraw/zinc/43/93/94/571439394.db2.gz LAVQQDZUJVZIEN-UHFFFAOYSA-N -1 3 585.535 4.663 40 0 KJABHM CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1)c1ccccc1F ZINC000113516083 571439705 /nfs/dbraw/zinc/43/97/05/571439705.db2.gz JJKAQSXBCMXMIY-UHFFFAOYSA-N -1 3 600.669 4.831 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)cc1 ZINC000113516087 571439646 /nfs/dbraw/zinc/43/96/46/571439646.db2.gz BFILDIWWXFVVFV-UHFFFAOYSA-N -1 3 612.705 4.700 40 0 KJABHM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000113619453 571440826 /nfs/dbraw/zinc/44/08/26/571440826.db2.gz QQAHVTNXDTULGM-UHFFFAOYSA-N -1 3 586.519 4.988 40 0 KJABHM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000113620310 571440992 /nfs/dbraw/zinc/44/09/92/571440992.db2.gz LAGJXYYYZSSGIV-GOSISDBHSA-N -1 3 566.101 4.559 40 0 KJABHM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000113620313 571441024 /nfs/dbraw/zinc/44/10/24/571441024.db2.gz LAGJXYYYZSSGIV-SFHVURJKSA-N -1 3 566.101 4.559 40 0 KJABHM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000113620476 571441053 /nfs/dbraw/zinc/44/10/53/571441053.db2.gz WATGXULLISSDIX-HNNXBMFYSA-N -1 3 572.492 4.596 40 0 KJABHM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000113620478 571441034 /nfs/dbraw/zinc/44/10/34/571441034.db2.gz WATGXULLISSDIX-OAHLLOKOSA-N -1 3 572.492 4.596 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)cc1C ZINC000113621418 571441138 /nfs/dbraw/zinc/44/11/38/571441138.db2.gz QHBVNKYGMBNYMH-UHFFFAOYSA-N -1 3 543.711 4.806 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000113621551 571441231 /nfs/dbraw/zinc/44/12/31/571441231.db2.gz JCHXJJRSUSNVQO-UHFFFAOYSA-N -1 3 559.710 4.588 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)CC3)cc2)cc1 ZINC000113638612 571442138 /nfs/dbraw/zinc/44/21/38/571442138.db2.gz YZNCNHFHNYKVHM-UHFFFAOYSA-N -1 3 612.557 4.983 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000139149105 571453040 /nfs/dbraw/zinc/45/30/40/571453040.db2.gz GPKVKNLXIXKRRQ-GJFKPFFXSA-N -1 3 592.458 4.638 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000139149255 571453037 /nfs/dbraw/zinc/45/30/37/571453037.db2.gz GPKVKNLXIXKRRQ-LWUPDDLQSA-N -1 3 592.458 4.638 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000139719408 571453634 /nfs/dbraw/zinc/45/36/34/571453634.db2.gz DAKVJKODDRRMOY-UHFFFAOYSA-N -1 3 610.527 4.570 40 0 KJABHM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)Oc2ccc(Cl)cc21 ZINC000140129087 571455366 /nfs/dbraw/zinc/45/53/66/571455366.db2.gz ZOIDKZQYLGABKV-HXUWFJFHSA-N -1 3 590.894 4.613 40 0 KJABHM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)Oc2ccc(Cl)cc21 ZINC000140129242 571455324 /nfs/dbraw/zinc/45/53/24/571455324.db2.gz ZOIDKZQYLGABKV-FQEVSTJZSA-N -1 3 590.894 4.613 40 0 KJABHM O=c1/c(=C\c2cc(Br)ccc2[O-])sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000146878674 571456706 /nfs/dbraw/zinc/45/67/06/571456706.db2.gz GSCCPXLCDBKORO-RQLGBQGVSA-N -1 3 521.461 4.848 40 0 KJABHM O=c1/c(=C\c2cc(Br)ccc2[O-])sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000146879074 571456704 /nfs/dbraw/zinc/45/67/04/571456704.db2.gz GSCCPXLCDBKORO-FJWZAKCXSA-N -1 3 521.461 4.848 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1[O-] ZINC000147672312 571456917 /nfs/dbraw/zinc/45/69/17/571456917.db2.gz SCWZTFKSLFNLKS-GJFKPFFXSA-N -1 3 545.458 4.795 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1[O-] ZINC000147672540 571456888 /nfs/dbraw/zinc/45/68/88/571456888.db2.gz SCWZTFKSLFNLKS-LWUPDDLQSA-N -1 3 545.458 4.795 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000147675404 571456902 /nfs/dbraw/zinc/45/69/02/571456902.db2.gz GFFIGPHEPSMFMD-ZDGAQAAHSA-N -1 3 610.448 4.777 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000147675590 571456851 /nfs/dbraw/zinc/45/68/51/571456851.db2.gz GFFIGPHEPSMFMD-AQIZGWBQSA-N -1 3 610.448 4.777 40 0 KJABHM COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)COc3ccccc3)[n-]c4=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150344082 571459167 /nfs/dbraw/zinc/45/91/67/571459167.db2.gz RGMDCYXYFWPCBM-JBIUIVRGSA-N -1 3 703.752 4.811 40 0 KJABHM COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c3nc(NC(=O)COc3ccccc3)[n-]c4=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150344084 571459238 /nfs/dbraw/zinc/45/92/38/571459238.db2.gz RGMDCYXYFWPCBM-HWIYEDSRSA-N -1 3 703.752 4.811 40 0 KJABHM COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc(NC(=O)COc3ccccc3)[n-]c4=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150344089 571459187 /nfs/dbraw/zinc/45/91/87/571459187.db2.gz RGMDCYXYFWPCBM-VOTWKOMSSA-N -1 3 703.752 4.811 40 0 KJABHM COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c3nc(NC(=O)COc3ccccc3)[n-]c4=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150344092 571459194 /nfs/dbraw/zinc/45/91/94/571459194.db2.gz RGMDCYXYFWPCBM-VDCPHJTRSA-N -1 3 703.752 4.811 40 0 KJABHM COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C=CC(=O)NCCCCCC[N-]C(=O)C(F)(F)F)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150346309 571460354 /nfs/dbraw/zinc/46/03/54/571460354.db2.gz FHJKJNOZOPKQQQ-JFYNCNQLSA-N -1 3 794.824 4.579 40 0 KJABHM CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[n-]3)C2)cc1 ZINC000150370036 571465694 /nfs/dbraw/zinc/46/56/94/571465694.db2.gz ATRSQMHWQLJTNE-QFIPXVFZSA-N -1 3 674.249 4.540 40 0 KJABHM CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000150373245 571466064 /nfs/dbraw/zinc/46/60/64/571466064.db2.gz SDHFMNHBDVKRRK-UHFFFAOYSA-N -1 3 694.667 4.804 40 0 KJABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCCC4)cc3)CC2)nc2c1nnn2Cc1ccc(Cl)cc1Cl ZINC000150373252 571466096 /nfs/dbraw/zinc/46/60/96/571466096.db2.gz BSSLOMNLTIJGFH-UHFFFAOYSA-N -1 3 694.667 4.851 40 0 KJABHM CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)C2)cc1 ZINC000150374740 571466194 /nfs/dbraw/zinc/46/61/94/571466194.db2.gz NNIXKXFKYXAYMZ-QFIPXVFZSA-N -1 3 674.249 4.540 40 0 KJABHM CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000150374859 571466262 /nfs/dbraw/zinc/46/62/62/571466262.db2.gz FZOZKRSBZRNUSK-UHFFFAOYSA-N -1 3 694.667 4.804 40 0 KJABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCCC4)cc3)CC2)nc2c1nnn2Cc1c(Cl)cccc1Cl ZINC000150374967 571466329 /nfs/dbraw/zinc/46/63/29/571466329.db2.gz KLEKSWZUZQXMRV-UHFFFAOYSA-N -1 3 694.667 4.851 40 0 KJABHM CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)cc1 ZINC000150404943 571479255 /nfs/dbraw/zinc/47/92/55/571479255.db2.gz QHWSPAUMUFOFRA-UHFFFAOYSA-N -1 3 681.885 4.794 40 0 KJABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(S(=O)(=O)NC5CCCCCC5)cc4)CC2)[n-]c3=O)cc1 ZINC000150405005 571479261 /nfs/dbraw/zinc/47/92/61/571479261.db2.gz NTRXGZNPIRADDE-UHFFFAOYSA-N -1 3 681.885 4.842 40 0 KJABHM O=C([N-]c1nnc2nc(C(C(=O)c3ccc(Cl)cc3Cl)c3nc4nnc(NC(=O)Nc5ccc(Cl)cc5)n4[nH]c3=O)c(=O)[nH]n12)Nc1ccc(Cl)cc1 ZINC000150409693 571481913 /nfs/dbraw/zinc/48/19/13/571481913.db2.gz KCXQUSTYNNYSBH-UHFFFAOYSA-N -1 3 796.379 4.855 40 0 KJABHM COc1cc(OC)c(C=C2N=C(C)N(N=c3[n-]nc(NN4C(=O)C(=Cc5c(OC)cc(OC)cc5OC)N=C4C)c4ccccc43)C2=O)c(OC)c1 ZINC000150440099 571497895 /nfs/dbraw/zinc/49/78/95/571497895.db2.gz BVAHCKSTLIRVSP-HJVIKEODSA-N -1 3 708.732 4.939 40 0 KJABHM COc1cc(OC)c(C=C2N=C(C)N(N=c3[n-]nc(NN4C(=O)C(=Cc5c(OC)cc(OC)cc5OC)N=C4C)c4ccccc43)C2=O)c(OC)c1 ZINC000150440104 571497840 /nfs/dbraw/zinc/49/78/40/571497840.db2.gz BVAHCKSTLIRVSP-XUIWWLCJSA-N -1 3 708.732 4.939 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000150441432 571498616 /nfs/dbraw/zinc/49/86/16/571498616.db2.gz ASKBTZIWPQXAHJ-PVHODMMVSA-N -1 3 676.725 4.839 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000150441437 571498659 /nfs/dbraw/zinc/49/86/59/571498659.db2.gz ASKBTZIWPQXAHJ-QKDODKLFSA-N -1 3 676.725 4.839 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000150441441 571498493 /nfs/dbraw/zinc/49/84/93/571498493.db2.gz ASKBTZIWPQXAHJ-PFBJBMPXSA-N -1 3 676.725 4.839 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000150441444 571498662 /nfs/dbraw/zinc/49/86/62/571498662.db2.gz ASKBTZIWPQXAHJ-VJGNERBWSA-N -1 3 676.725 4.839 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)c(O)c(OCC)c2)c(C(=O)OC)c1C ZINC000150441549 571498657 /nfs/dbraw/zinc/49/86/57/571498657.db2.gz AAYYNCIIYJVLAB-XPNTWCBSSA-N -1 3 659.511 4.938 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Br)c(O)c(OCC)c2)c(C(=O)OC)c1C ZINC000150441553 571498538 /nfs/dbraw/zinc/49/85/38/571498538.db2.gz AAYYNCIIYJVLAB-GIWBLDEGSA-N -1 3 659.511 4.938 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)c(O)c(OCC)c2)c(C(=O)OC)c1C ZINC000150441558 571498644 /nfs/dbraw/zinc/49/86/44/571498644.db2.gz AAYYNCIIYJVLAB-XJUOHMSHSA-N -1 3 659.511 4.938 40 0 KJABHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Br)c(O)c(OCC)c2)c(C(=O)OC)c1C ZINC000150441563 571498489 /nfs/dbraw/zinc/49/84/89/571498489.db2.gz AAYYNCIIYJVLAB-FUDKSRODSA-N -1 3 659.511 4.938 40 0 KJABHM COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000150522969 571520100 /nfs/dbraw/zinc/52/01/00/571520100.db2.gz OGKWTBUZJDXYOY-XXNQQEORSA-N -1 3 700.169 4.955 40 0 KJABHM COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc5ccccc54)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000150522971 571520159 /nfs/dbraw/zinc/52/01/59/571520159.db2.gz OGKWTBUZJDXYOY-PANBRXNZSA-N -1 3 700.169 4.955 40 0 KJABHM COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc5ccccc5c4)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000150524392 571520283 /nfs/dbraw/zinc/52/02/83/571520283.db2.gz QISIXNRMNRPPOL-VYVQNISGSA-N -1 3 700.169 4.955 40 0 KJABHM COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4ccc5ccccc5c4)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000150524395 571520310 /nfs/dbraw/zinc/52/03/10/571520310.db2.gz QISIXNRMNRPPOL-FXBMGTMUSA-N -1 3 700.169 4.955 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000150664144 571528597 /nfs/dbraw/zinc/52/85/97/571528597.db2.gz PUGHPYFNKRZEDB-XLPYNYLBSA-N -1 3 678.163 4.582 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000150664145 571528603 /nfs/dbraw/zinc/52/86/03/571528603.db2.gz PUGHPYFNKRZEDB-NQMRHMFFSA-N -1 3 678.163 4.582 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163284614 571534946 /nfs/dbraw/zinc/53/49/46/571534946.db2.gz NKKHOCCLPMEVAD-ORVZPOCUSA-N -1 3 652.510 4.655 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000163284738 571534951 /nfs/dbraw/zinc/53/49/51/571534951.db2.gz NKKHOCCLPMEVAD-IYVASWNSSA-N -1 3 652.510 4.655 40 0 KJABHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000163544197 571536484 /nfs/dbraw/zinc/53/64/84/571536484.db2.gz YZUXCTVMNUMHJD-VFHYMGCCSA-N -1 3 670.500 4.784 40 0 KJABHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000163544315 571536380 /nfs/dbraw/zinc/53/63/80/571536380.db2.gz YZUXCTVMNUMHJD-HZHYMEEXSA-N -1 3 670.500 4.784 40 0 KJABHM CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000163631344 571538260 /nfs/dbraw/zinc/53/82/60/571538260.db2.gz YNKRYXKOUQFSKA-XGHXRCDJSA-N -1 3 631.854 4.861 40 0 KJABHM CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000163631483 571538314 /nfs/dbraw/zinc/53/83/14/571538314.db2.gz YNKRYXKOUQFSKA-DPWKNNTCSA-N -1 3 631.854 4.861 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000163758462 571542851 /nfs/dbraw/zinc/54/28/51/571542851.db2.gz PZAIFOQESBYGMI-YMSBRDKKSA-N -1 3 632.520 4.631 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000163758565 571542857 /nfs/dbraw/zinc/54/28/57/571542857.db2.gz PZAIFOQESBYGMI-IGSWSUAKSA-N -1 3 632.520 4.631 40 0 KJABHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000164546644 571549839 /nfs/dbraw/zinc/54/98/39/571549839.db2.gz UMNZFIZTHMLBNA-VEOZPNHKSA-N -1 3 682.536 4.653 40 0 KJABHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000164546755 571549847 /nfs/dbraw/zinc/54/98/47/571549847.db2.gz UMNZFIZTHMLBNA-ZEKHAJRLSA-N -1 3 682.536 4.653 40 0 KJABHM O=c1/c(=C\c2cc(Br)ccc2[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000167086660 571552659 /nfs/dbraw/zinc/55/26/59/571552659.db2.gz MHPYRBFTOHWTCF-AQIZGWBQSA-N -1 3 533.422 4.926 40 0 KJABHM O=c1/c(=C\c2cc(Br)ccc2[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000167086784 571552541 /nfs/dbraw/zinc/55/25/41/571552541.db2.gz MHPYRBFTOHWTCF-ZDGAQAAHSA-N -1 3 533.422 4.926 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000167531904 571552801 /nfs/dbraw/zinc/55/28/01/571552801.db2.gz YTRLWIWEOZYOAC-FJWZAKCXSA-N -1 3 598.487 4.699 40 0 KJABHM COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000167532121 571552799 /nfs/dbraw/zinc/55/27/99/571552799.db2.gz YTRLWIWEOZYOAC-RQLGBQGVSA-N -1 3 598.487 4.699 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1[O-] ZINC000197908278 571566007 /nfs/dbraw/zinc/56/60/07/571566007.db2.gz POHXAGHXDUBDCX-GJFKPFFXSA-N -1 3 501.007 4.686 40 0 KJABHM COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Cl)c1[O-] ZINC000197908285 571566018 /nfs/dbraw/zinc/56/60/18/571566018.db2.gz POHXAGHXDUBDCX-LWUPDDLQSA-N -1 3 501.007 4.686 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)cc1 ZINC000197965217 571566226 /nfs/dbraw/zinc/56/62/26/571566226.db2.gz KGAWSQOFNIGGNM-UHFFFAOYSA-N -1 3 636.590 4.829 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccccc1I ZINC000197972936 571566256 /nfs/dbraw/zinc/56/62/56/571566256.db2.gz RTBVOMOUWAPDOU-UHFFFAOYSA-N -1 3 512.756 4.998 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)cc1 ZINC000197986337 571566374 /nfs/dbraw/zinc/56/63/74/571566374.db2.gz HYJMOLJKMSUMGG-UHFFFAOYSA-N -1 3 636.590 4.829 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000198313659 571567286 /nfs/dbraw/zinc/56/72/86/571567286.db2.gz NGPAQWNIFLMLPP-UHFFFAOYSA-N -1 3 639.752 4.964 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(I)c1[O-] ZINC000205664493 571569656 /nfs/dbraw/zinc/56/96/56/571569656.db2.gz ZAPUBIJNJJYYOK-AYSLTRBKSA-N -1 3 545.738 4.624 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000207302364 571573209 /nfs/dbraw/zinc/57/32/09/571573209.db2.gz ZFFCRNYGIDSEAD-RJFKIUDMSA-N -1 3 670.525 4.669 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000207302412 571573237 /nfs/dbraw/zinc/57/32/37/571573237.db2.gz ZFFCRNYGIDSEAD-WPUHHHFCSA-N -1 3 670.525 4.669 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(I)c1[O-] ZINC000214107454 571577555 /nfs/dbraw/zinc/57/75/55/571577555.db2.gz XAHFNTCDYIZLLF-OVCLIPMQSA-N -1 3 501.729 4.895 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(I)c1[O-] ZINC000215227827 571584076 /nfs/dbraw/zinc/58/40/76/571584076.db2.gz DSEWRRXVYLBLIU-OVCLIPMQSA-N -1 3 593.180 4.847 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000215913788 571587385 /nfs/dbraw/zinc/58/73/85/571587385.db2.gz VZHHYSOQFVTTAU-UHFFFAOYSA-N -1 3 534.059 4.568 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000215919474 571587840 /nfs/dbraw/zinc/58/78/40/571587840.db2.gz HNTXGIGYABFADC-UHFFFAOYSA-N -1 3 568.504 4.972 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)cc1 ZINC000215922804 571588037 /nfs/dbraw/zinc/58/80/37/571588037.db2.gz HQZHRYNHNYSHSJ-UHFFFAOYSA-N -1 3 606.564 4.739 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)cc1C ZINC000215925209 571587936 /nfs/dbraw/zinc/58/79/36/571587936.db2.gz ZJYWXINBLOBMLQ-UHFFFAOYSA-N -1 3 541.695 4.672 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000215948215 571589038 /nfs/dbraw/zinc/58/90/38/571589038.db2.gz LYQRHEAYEJMYOJ-UHFFFAOYSA-N -1 3 578.112 4.885 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000215955536 571589407 /nfs/dbraw/zinc/58/94/07/571589407.db2.gz SJCCFRWPADDWAE-UHFFFAOYSA-N -1 3 548.086 4.958 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000215957154 571589369 /nfs/dbraw/zinc/58/93/69/571589369.db2.gz MOJILPLROBYQSX-UHFFFAOYSA-N -1 3 541.695 4.672 40 0 KJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2Cl)cc1 ZINC000215975948 571590258 /nfs/dbraw/zinc/59/02/58/571590258.db2.gz CVUNOXRUVYCXOS-IBGZPJMESA-N -1 3 528.030 4.610 40 0 KJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2Cl)cc1 ZINC000215975995 571590296 /nfs/dbraw/zinc/59/02/96/571590296.db2.gz CVUNOXRUVYCXOS-LJQANCHMSA-N -1 3 528.030 4.610 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000216073423 571592648 /nfs/dbraw/zinc/59/26/48/571592648.db2.gz HQQNZWDVRGFWNQ-IIBYNOLFSA-N -1 3 537.465 4.778 40 0 KJABHM COc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000216073473 571592668 /nfs/dbraw/zinc/59/26/68/571592668.db2.gz HQQNZWDVRGFWNQ-HRAATJIYSA-N -1 3 537.465 4.778 40 0 KJABHM COc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000216073513 571592636 /nfs/dbraw/zinc/59/26/36/571592636.db2.gz HQQNZWDVRGFWNQ-IERDGZPVSA-N -1 3 537.465 4.778 40 0 KJABHM COc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000216073557 571592642 /nfs/dbraw/zinc/59/26/42/571592642.db2.gz HQQNZWDVRGFWNQ-KKSFZXQISA-N -1 3 537.465 4.778 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000216253366 571593769 /nfs/dbraw/zinc/59/37/69/571593769.db2.gz MMIHRJPLQHBBIJ-JOCHJYFZSA-N -1 3 576.140 4.754 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000216253410 571593785 /nfs/dbraw/zinc/59/37/85/571593785.db2.gz MMIHRJPLQHBBIJ-QFIPXVFZSA-N -1 3 576.140 4.754 40 0 KJABHM CCOc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC ZINC000216299095 571594264 /nfs/dbraw/zinc/59/42/64/571594264.db2.gz WXRYEFYVTGBHIX-UHFFFAOYSA-N -1 3 503.020 4.911 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c(C)c1 ZINC000216360791 571595210 /nfs/dbraw/zinc/59/52/10/571595210.db2.gz GIAXYSBWYGCLAP-RUZDIDTESA-N -1 3 569.749 4.717 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c(C)c1 ZINC000216360840 571595244 /nfs/dbraw/zinc/59/52/44/571595244.db2.gz GIAXYSBWYGCLAP-VWLOTQADSA-N -1 3 569.749 4.717 40 0 KJABHM O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216487397 571596820 /nfs/dbraw/zinc/59/68/20/571596820.db2.gz XNUQJBHDXFGQJH-UHFFFAOYSA-N -1 3 509.971 4.916 40 0 KJABHM CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000222668173 571381906 /nfs/dbraw/zinc/38/19/06/571381906.db2.gz NAXKDBAMQRSFGJ-UHFFFAOYSA-N -1 3 559.844 4.621 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)cc2)cc1 ZINC000222672712 571382442 /nfs/dbraw/zinc/38/24/42/571382442.db2.gz NZULZQUZTBZUJV-UHFFFAOYSA-N -1 3 501.402 4.526 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@@H]3C)cc2)cc1 ZINC000222672807 571382420 /nfs/dbraw/zinc/38/24/20/571382420.db2.gz RHAUKASRSZKHEG-KRWDZBQOSA-N -1 3 515.429 4.915 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@H]3C)cc2)cc1 ZINC000222672866 571382413 /nfs/dbraw/zinc/38/24/13/571382413.db2.gz RHAUKASRSZKHEG-QGZVFWFLSA-N -1 3 515.429 4.915 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc43)cc2)cc1 ZINC000222675538 571382812 /nfs/dbraw/zinc/38/28/12/571382812.db2.gz AWZGAJAQHWCIRT-UHFFFAOYSA-N -1 3 525.030 4.605 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCNc3ccnc4cc(Cl)ccc43)cc2)cc1 ZINC000222675628 571382919 /nfs/dbraw/zinc/38/29/19/571382919.db2.gz RISJJABURDNIFO-UHFFFAOYSA-N -1 3 539.057 4.995 40 0 KJABHM C[C@@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000222676312 571382932 /nfs/dbraw/zinc/38/29/32/571382932.db2.gz OGKPGKUTFDDYOJ-MRXNPFEDSA-N -1 3 501.402 4.607 40 0 KJABHM C[C@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000222676359 571382971 /nfs/dbraw/zinc/38/29/71/571382971.db2.gz OGKPGKUTFDDYOJ-INIZCTEOSA-N -1 3 501.402 4.607 40 0 KJABHM COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)[N-]c5ccccc5)cc4)cc32)cc1 ZINC000222677142 571383129 /nfs/dbraw/zinc/38/31/29/571383129.db2.gz HOPBMQMIUHWKDU-UHFFFAOYSA-N -1 3 557.628 4.716 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000222677221 571383073 /nfs/dbraw/zinc/38/30/73/571383073.db2.gz GLGISWLBGKJRNT-UHFFFAOYSA-N -1 3 598.102 4.910 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000222679055 571383376 /nfs/dbraw/zinc/38/33/76/571383376.db2.gz QINFIDXNQXXUIV-UHFFFAOYSA-N -1 3 525.030 4.686 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)cc2)cc1C ZINC000222679619 571383458 /nfs/dbraw/zinc/38/34/58/571383458.db2.gz ZSJFRNSJONPGEF-UHFFFAOYSA-N -1 3 515.429 4.835 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)cc1C ZINC000222681018 571383674 /nfs/dbraw/zinc/38/36/74/571383674.db2.gz SHHJXXMFPAKBFF-PMERELPUSA-N -1 3 585.682 4.594 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)cc1C ZINC000222681081 571383717 /nfs/dbraw/zinc/38/37/17/571383717.db2.gz SHHJXXMFPAKBFF-SSEXGKCCSA-N -1 3 585.682 4.594 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1C ZINC000222681161 571383682 /nfs/dbraw/zinc/38/36/82/571383682.db2.gz MAJSIRJOJMOBGA-HKBQPEDESA-N -1 3 599.709 4.636 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1C ZINC000222681224 571383726 /nfs/dbraw/zinc/38/37/26/571383726.db2.gz MAJSIRJOJMOBGA-WJOKGBTCSA-N -1 3 599.709 4.636 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)cc2)CC1 ZINC000222681655 571383715 /nfs/dbraw/zinc/38/37/15/571383715.db2.gz FDQAUZGLVITZMK-UHFFFAOYSA-N -1 3 522.623 4.716 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc43)cc2)cc1C ZINC000222682341 571383826 /nfs/dbraw/zinc/38/38/26/571383826.db2.gz HXPCCZZUGZVPDD-UHFFFAOYSA-N -1 3 539.057 4.913 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCc3cc(Br)ccc32)cc1 ZINC000222683005 571383959 /nfs/dbraw/zinc/38/39/59/571383959.db2.gz CHLBLSUFALGOFE-UHFFFAOYSA-N -1 3 501.402 4.526 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 ZINC000222683091 571383906 /nfs/dbraw/zinc/38/39/06/571383906.db2.gz IVQRCZVQCUGBSV-KRWDZBQOSA-N -1 3 515.429 4.915 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 ZINC000222683156 571383919 /nfs/dbraw/zinc/38/39/19/571383919.db2.gz IVQRCZVQCUGBSV-QGZVFWFLSA-N -1 3 515.429 4.915 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 ZINC000222685810 571384242 /nfs/dbraw/zinc/38/42/42/571384242.db2.gz QCRZJBBWNHOFHV-UHFFFAOYSA-N -1 3 520.611 4.911 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000222685990 571384270 /nfs/dbraw/zinc/38/42/70/571384270.db2.gz JUVSXVIKTRONPM-UHFFFAOYSA-N -1 3 525.030 4.605 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000222686075 571384259 /nfs/dbraw/zinc/38/42/59/571384259.db2.gz RGUMGXWASPYXHB-UHFFFAOYSA-N -1 3 539.057 4.995 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)cc2)c1 ZINC000222686674 571384368 /nfs/dbraw/zinc/38/43/68/571384368.db2.gz CLMZYZDKKIPJCZ-UHFFFAOYSA-N -1 3 515.429 4.835 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)c1 ZINC000222688033 571384498 /nfs/dbraw/zinc/38/44/98/571384498.db2.gz VVZKJQDZRIESCW-PMERELPUSA-N -1 3 585.682 4.594 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)c1 ZINC000222688093 571384481 /nfs/dbraw/zinc/38/44/81/571384481.db2.gz VVZKJQDZRIESCW-SSEXGKCCSA-N -1 3 585.682 4.594 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)c1 ZINC000222688170 571384492 /nfs/dbraw/zinc/38/44/92/571384492.db2.gz KQIPVURVMSJHIB-HKBQPEDESA-N -1 3 599.709 4.636 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)c1 ZINC000222688243 571384593 /nfs/dbraw/zinc/38/45/93/571384593.db2.gz KQIPVURVMSJHIB-WJOKGBTCSA-N -1 3 599.709 4.636 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2)CC1 ZINC000222688720 571384607 /nfs/dbraw/zinc/38/46/07/571384607.db2.gz CXCCLFFBZGVXEV-UHFFFAOYSA-N -1 3 522.623 4.716 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc43)cc2)c1 ZINC000222689386 571384714 /nfs/dbraw/zinc/38/47/14/571384714.db2.gz DYSDIMMDXRZIQH-UHFFFAOYSA-N -1 3 539.057 4.913 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)cc2)c1 ZINC000222690042 571384824 /nfs/dbraw/zinc/38/48/24/571384824.db2.gz ZYUSUFDALCBZIU-UHFFFAOYSA-N -1 3 501.402 4.526 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@@H]3C)cc2)c1 ZINC000222690138 571384873 /nfs/dbraw/zinc/38/48/73/571384873.db2.gz LDLOKAZOHIMCFU-KRWDZBQOSA-N -1 3 515.429 4.915 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@H]3C)cc2)c1 ZINC000222690200 571384839 /nfs/dbraw/zinc/38/48/39/571384839.db2.gz LDLOKAZOHIMCFU-QGZVFWFLSA-N -1 3 515.429 4.915 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc43)cc2)c1 ZINC000222692705 571385167 /nfs/dbraw/zinc/38/51/67/571385167.db2.gz PMZNGGZGSKPAIT-UHFFFAOYSA-N -1 3 525.030 4.605 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCNc3ccnc4cc(Cl)ccc43)cc2)c1 ZINC000222692783 571385132 /nfs/dbraw/zinc/38/51/32/571385132.db2.gz PZBOVKSKWLSJPQ-UHFFFAOYSA-N -1 3 539.057 4.995 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)cc2)c1 ZINC000222693375 571385134 /nfs/dbraw/zinc/38/51/34/571385134.db2.gz YSDGPTQSDZXZLU-UHFFFAOYSA-N -1 3 515.429 4.835 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)c1 ZINC000222694854 571385372 /nfs/dbraw/zinc/38/53/72/571385372.db2.gz GOWQQZVQJPBOKE-PMERELPUSA-N -1 3 585.682 4.594 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)c1 ZINC000222694910 571385368 /nfs/dbraw/zinc/38/53/68/571385368.db2.gz GOWQQZVQJPBOKE-SSEXGKCCSA-N -1 3 585.682 4.594 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)c1 ZINC000222695000 571385417 /nfs/dbraw/zinc/38/54/17/571385417.db2.gz SLZMHLGYCIULLC-HKBQPEDESA-N -1 3 599.709 4.636 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)c1 ZINC000222695061 571385499 /nfs/dbraw/zinc/38/54/99/571385499.db2.gz SLZMHLGYCIULLC-WJOKGBTCSA-N -1 3 599.709 4.636 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3)cc2)CC1 ZINC000222695577 571385475 /nfs/dbraw/zinc/38/54/75/571385475.db2.gz VPRMMTALGLDYKR-UHFFFAOYSA-N -1 3 522.623 4.716 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc43)cc2)c1 ZINC000222696466 571385629 /nfs/dbraw/zinc/38/56/29/571385629.db2.gz FOUXLRXOKRBWPY-UHFFFAOYSA-N -1 3 539.057 4.913 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@@H]3C)cc2)cc1 ZINC000222697247 571385699 /nfs/dbraw/zinc/38/56/99/571385699.db2.gz NMEBFAHYLBUZFF-INIZCTEOSA-N -1 3 531.428 4.615 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccc(Br)cc4C[C@H]3C)cc2)cc1 ZINC000222697302 571385734 /nfs/dbraw/zinc/38/57/34/571385734.db2.gz NMEBFAHYLBUZFF-MRXNPFEDSA-N -1 3 531.428 4.615 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)N(C(=O)c3ccc(OC)cc3)CC4)cc2)cc1 ZINC000222698028 571385836 /nfs/dbraw/zinc/38/58/36/571385836.db2.gz YLBATNTUZONMFD-UHFFFAOYSA-N -1 3 587.654 4.725 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)N(S(=O)(=O)c3ccc(Cl)cc3)CC4)cc2)cc1 ZINC000222698119 571385838 /nfs/dbraw/zinc/38/58/38/571385838.db2.gz ABFDVSIOWPVPSS-UHFFFAOYSA-N -1 3 628.128 4.918 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCNc3ccnc4cc(Cl)ccc43)cc2)cc1 ZINC000222699850 571386059 /nfs/dbraw/zinc/38/60/59/571386059.db2.gz OXXBCNFYHNCJNH-UHFFFAOYSA-N -1 3 555.056 4.695 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCc2cc(Br)ccc21 ZINC000222700447 571386133 /nfs/dbraw/zinc/38/61/33/571386133.db2.gz CRDKZPTUTSIJKO-UHFFFAOYSA-N -1 3 521.820 4.871 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222701754 571386384 /nfs/dbraw/zinc/38/63/84/571386384.db2.gz COPPADGNCXBMIM-NDEPHWFRSA-N -1 3 592.073 4.630 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222701817 571386399 /nfs/dbraw/zinc/38/63/99/571386399.db2.gz COPPADGNCXBMIM-MUUNZHRXSA-N -1 3 592.073 4.630 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222701892 571386342 /nfs/dbraw/zinc/38/63/42/571386342.db2.gz ITCINHXSBWYXHP-LJAQVGFWSA-N -1 3 606.100 4.673 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222701944 571386378 /nfs/dbraw/zinc/38/63/78/571386378.db2.gz ITCINHXSBWYXHP-GDLZYMKVSA-N -1 3 606.100 4.673 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)CC1 ZINC000222702395 571386487 /nfs/dbraw/zinc/38/64/87/571386487.db2.gz CHIUICWODOTITM-UHFFFAOYSA-N -1 3 529.014 4.753 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCCNc1ccnc2cc(Cl)ccc21 ZINC000222703083 571386624 /nfs/dbraw/zinc/38/66/24/571386624.db2.gz WWTILWPBLRKZLI-UHFFFAOYSA-N -1 3 545.448 4.950 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)cc2)cc1 ZINC000222703741 571386709 /nfs/dbraw/zinc/38/67/09/571386709.db2.gz UGUYNTKSKGWSFI-UHFFFAOYSA-N -1 3 531.428 4.617 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc43)cc2)cc1 ZINC000222706504 571387094 /nfs/dbraw/zinc/38/70/94/571387094.db2.gz RBKMBPCUESUEGC-UHFFFAOYSA-N -1 3 555.056 4.695 40 0 KJABHM C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222710627 571387626 /nfs/dbraw/zinc/38/76/26/571387626.db2.gz NDKLVBSAIACCDO-QHCPKHFHSA-N -1 3 575.662 4.739 40 0 KJABHM C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222710678 571387648 /nfs/dbraw/zinc/38/76/48/571387648.db2.gz NDKLVBSAIACCDO-HSZRJFAPSA-N -1 3 575.662 4.739 40 0 KJABHM COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222711389 571387749 /nfs/dbraw/zinc/38/77/49/571387749.db2.gz SDJAZTXZGGRBQM-HSZRJFAPSA-N -1 3 605.688 4.748 40 0 KJABHM COc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222711460 571387728 /nfs/dbraw/zinc/38/77/28/571387728.db2.gz SDJAZTXZGGRBQM-QHCPKHFHSA-N -1 3 605.688 4.748 40 0 KJABHM C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222711544 571387835 /nfs/dbraw/zinc/38/78/35/571387835.db2.gz KVKTUMFYBRKKHN-DEOSSOPVSA-N -1 3 589.689 4.782 40 0 KJABHM C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222711602 571387815 /nfs/dbraw/zinc/38/78/15/571387815.db2.gz KVKTUMFYBRKKHN-XMMPIXPASA-N -1 3 589.689 4.782 40 0 KJABHM COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222711689 571387754 /nfs/dbraw/zinc/38/77/54/571387754.db2.gz ITMQXEYOUDKBKK-XMMPIXPASA-N -1 3 619.715 4.790 40 0 KJABHM COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222711748 571387775 /nfs/dbraw/zinc/38/77/75/571387775.db2.gz ITMQXEYOUDKBKK-DEOSSOPVSA-N -1 3 619.715 4.790 40 0 KJABHM COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000222711847 571387785 /nfs/dbraw/zinc/38/77/85/571387785.db2.gz HWFOTJNEXCJYSY-XMMPIXPASA-N -1 3 649.741 4.799 40 0 KJABHM COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000222711895 571387900 /nfs/dbraw/zinc/38/79/00/571387900.db2.gz HWFOTJNEXCJYSY-DEOSSOPVSA-N -1 3 649.741 4.799 40 0 KJABHM COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713361 571388065 /nfs/dbraw/zinc/38/80/65/571388065.db2.gz BGXQVWSGQPBERQ-HSZRJFAPSA-N -1 3 605.688 4.748 40 0 KJABHM COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713413 571388058 /nfs/dbraw/zinc/38/80/58/571388058.db2.gz BGXQVWSGQPBERQ-QHCPKHFHSA-N -1 3 605.688 4.748 40 0 KJABHM CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713495 571388089 /nfs/dbraw/zinc/38/80/89/571388089.db2.gz NZBZXUXYUIDZQQ-JOCHJYFZSA-N -1 3 555.672 4.729 40 0 KJABHM CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713564 571388013 /nfs/dbraw/zinc/38/80/13/571388013.db2.gz NZBZXUXYUIDZQQ-QFIPXVFZSA-N -1 3 555.672 4.729 40 0 KJABHM C[C@@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713625 571388005 /nfs/dbraw/zinc/38/80/05/571388005.db2.gz AQJKFOCZUXAHFB-OAHLLOKOSA-N -1 3 519.392 4.746 40 0 KJABHM CC(C)CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713648 571388022 /nfs/dbraw/zinc/38/80/22/571388022.db2.gz XKMZMPJKNDTRNC-JOCHJYFZSA-N -1 3 555.672 4.585 40 0 KJABHM C[C@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713676 571388091 /nfs/dbraw/zinc/38/80/91/571388091.db2.gz AQJKFOCZUXAHFB-HNNXBMFYSA-N -1 3 519.392 4.746 40 0 KJABHM CC(C)CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713718 571388176 /nfs/dbraw/zinc/38/81/76/571388176.db2.gz XKMZMPJKNDTRNC-QFIPXVFZSA-N -1 3 555.672 4.585 40 0 KJABHM COc1ccc(C(=O)N2CCc3ccc(NC(=O)COc4ccc(S(=O)(=O)[N-]c5ccc(F)cc5)cc4)cc32)cc1 ZINC000222714428 571388172 /nfs/dbraw/zinc/38/81/72/571388172.db2.gz SPZTYLHWIABYGZ-UHFFFAOYSA-N -1 3 575.618 4.856 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000222717512 571388541 /nfs/dbraw/zinc/38/85/41/571388541.db2.gz ULJQJXGDFFUGHM-UHFFFAOYSA-N -1 3 543.020 4.825 40 0 KJABHM C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000222724628 571389644 /nfs/dbraw/zinc/38/96/44/571389644.db2.gz RHMDADFEEHLNRY-MRXNPFEDSA-N -1 3 501.402 4.607 40 0 KJABHM C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000222724676 571389741 /nfs/dbraw/zinc/38/97/41/571389741.db2.gz RHMDADFEEHLNRY-INIZCTEOSA-N -1 3 501.402 4.607 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCc2cc(Br)ccc21 ZINC000222724760 571389706 /nfs/dbraw/zinc/38/97/06/571389706.db2.gz VJEDEBQUGOFVKK-UHFFFAOYSA-N -1 3 566.271 4.981 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccc2sncc2c1 ZINC000222725605 571389830 /nfs/dbraw/zinc/38/98/30/571389830.db2.gz GQOXBAZJDWKBOP-UHFFFAOYSA-N -1 3 518.414 4.877 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222726434 571389881 /nfs/dbraw/zinc/38/98/81/571389881.db2.gz RUJAOTCVZFCZKF-NDEPHWFRSA-N -1 3 636.524 4.739 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222726494 571390022 /nfs/dbraw/zinc/39/00/22/571390022.db2.gz RUJAOTCVZFCZKF-MUUNZHRXSA-N -1 3 636.524 4.739 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222726576 571390055 /nfs/dbraw/zinc/39/00/55/571390055.db2.gz LBYYVWUJUNFGKA-LJAQVGFWSA-N -1 3 650.551 4.782 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222726636 571390007 /nfs/dbraw/zinc/39/00/07/571390007.db2.gz LBYYVWUJUNFGKA-GDLZYMKVSA-N -1 3 650.551 4.782 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)CC1 ZINC000222727033 571390016 /nfs/dbraw/zinc/39/00/16/571390016.db2.gz AKEFWUQOXVKDQX-UHFFFAOYSA-N -1 3 573.465 4.862 40 0 KJABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C ZINC000222727457 571390177 /nfs/dbraw/zinc/39/01/77/571390177.db2.gz WHAVMVMTOVZDKJ-UHFFFAOYSA-N -1 3 503.418 4.909 40 0 KJABHM COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000222727887 571390140 /nfs/dbraw/zinc/39/01/40/571390140.db2.gz CLVOIOMFARTKBC-UHFFFAOYSA-N -1 3 508.518 4.552 40 0 KJABHM COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc(OC)c1OC ZINC000222728069 571390118 /nfs/dbraw/zinc/39/01/18/571390118.db2.gz LBWLGHKBWQSOAC-UHFFFAOYSA-N -1 3 568.570 4.569 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222729188 571390455 /nfs/dbraw/zinc/39/04/55/571390455.db2.gz XVODNOCTUHUMIQ-UHFFFAOYSA-N -1 3 577.610 4.579 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222729792 571390463 /nfs/dbraw/zinc/39/04/63/571390463.db2.gz FOMPMSXXAHVAIK-NDEPHWFRSA-N -1 3 625.625 4.996 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222729851 571390449 /nfs/dbraw/zinc/39/04/49/571390449.db2.gz FOMPMSXXAHVAIK-MUUNZHRXSA-N -1 3 625.625 4.996 40 0 KJABHM CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000222730081 571390649 /nfs/dbraw/zinc/39/06/49/571390649.db2.gz WTVDAAJEGRDXKW-UHFFFAOYSA-N -1 3 536.528 4.629 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222730260 571390619 /nfs/dbraw/zinc/39/06/19/571390619.db2.gz SWBAWKAYJVGOOS-UHFFFAOYSA-N -1 3 561.582 4.689 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)cc2)cc1Cl ZINC000222731826 571390865 /nfs/dbraw/zinc/39/08/65/571390865.db2.gz PXMKHQPMRWWZKJ-UHFFFAOYSA-N -1 3 551.846 4.880 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)cc1Cl ZINC000222732084 571390919 /nfs/dbraw/zinc/39/09/19/571390919.db2.gz CVQWVFHKUGWBCC-UHFFFAOYSA-N -1 3 510.999 4.998 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)cc1Cl ZINC000222732339 571390867 /nfs/dbraw/zinc/39/08/67/571390867.db2.gz NQPAJPQEDLIRPZ-UHFFFAOYSA-N -1 3 503.989 4.777 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)cc1Cl ZINC000222733170 571391044 /nfs/dbraw/zinc/39/10/44/571391044.db2.gz MLOMHLUHCZPACY-LJAQVGFWSA-N -1 3 622.099 4.639 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)cc1Cl ZINC000222733224 571391093 /nfs/dbraw/zinc/39/10/93/571391093.db2.gz MLOMHLUHCZPACY-GDLZYMKVSA-N -1 3 622.099 4.639 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1Cl ZINC000222733311 571391071 /nfs/dbraw/zinc/39/10/71/571391071.db2.gz QOZHJPGKJXGCEE-PMERELPUSA-N -1 3 636.126 4.681 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1Cl ZINC000222733375 571391057 /nfs/dbraw/zinc/39/10/57/571391057.db2.gz QOZHJPGKJXGCEE-SSEXGKCCSA-N -1 3 636.126 4.681 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(Cl)c4)cc3)cc2)CC1 ZINC000222733814 571391138 /nfs/dbraw/zinc/39/11/38/571391138.db2.gz BQTPGFIJZGNCOR-UHFFFAOYSA-N -1 3 559.040 4.762 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc43)cc2)cc1Cl ZINC000222734504 571391228 /nfs/dbraw/zinc/39/12/28/571391228.db2.gz HZHFQVIZEUZKPI-UHFFFAOYSA-N -1 3 575.474 4.958 40 0 KJABHM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCNc3ccnc4cc(Cl)ccc43)cc2)c1 ZINC000222737963 571391699 /nfs/dbraw/zinc/39/16/99/571391699.db2.gz NQMMVSMQEBTIBC-UHFFFAOYSA-N -1 3 555.056 4.695 40 0 KJABHM COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc(OC)c1OC ZINC000222738201 571391685 /nfs/dbraw/zinc/39/16/85/571391685.db2.gz DPQLRZYXEMSXBE-UHFFFAOYSA-N -1 3 549.045 4.512 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(-c4ccccc4)n3)cc2)cc1Cl ZINC000222739282 571391731 /nfs/dbraw/zinc/39/17/31/571391731.db2.gz FKECMFPWSNQOOL-UHFFFAOYSA-N -1 3 558.085 4.522 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)cc1Cl ZINC000222739908 571391875 /nfs/dbraw/zinc/39/18/75/571391875.db2.gz QYIRFRPWUYYNNE-LJAQVGFWSA-N -1 3 606.100 4.939 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)cc1Cl ZINC000222739960 571391880 /nfs/dbraw/zinc/39/18/80/571391880.db2.gz QYIRFRPWUYYNNE-GDLZYMKVSA-N -1 3 606.100 4.939 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1Cl ZINC000222740055 571391896 /nfs/dbraw/zinc/39/18/96/571391896.db2.gz JKLVJWOXJIFMOJ-PMERELPUSA-N -1 3 620.127 4.981 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)cc2)cc1Cl ZINC000222740120 571391889 /nfs/dbraw/zinc/39/18/89/571391889.db2.gz JKLVJWOXJIFMOJ-SSEXGKCCSA-N -1 3 620.127 4.981 40 0 KJABHM CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000222740207 571391911 /nfs/dbraw/zinc/39/19/11/571391911.db2.gz GEOMZMHUYXMRLC-UHFFFAOYSA-N -1 3 517.003 4.572 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)cc2)cc1Cl ZINC000222740366 571391883 /nfs/dbraw/zinc/39/18/83/571391883.db2.gz FKBXYSLGMFUTMN-UHFFFAOYSA-N -1 3 542.057 4.632 40 0 KJABHM COc1ccc(-c2nnc([N-]C(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)s2)cc1 ZINC000222743283 571392173 /nfs/dbraw/zinc/39/21/73/571392173.db2.gz KKTMNBOUXPMGOO-UHFFFAOYSA-N -1 3 507.037 4.684 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)c(C)c2)cc1 ZINC000222762178 571394354 /nfs/dbraw/zinc/39/43/54/571394354.db2.gz HJCJFUVQLUAZFZ-UHFFFAOYSA-N -1 3 515.429 4.835 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 ZINC000222763554 571394498 /nfs/dbraw/zinc/39/44/98/571394498.db2.gz WZNNSURYQYCBSZ-PMERELPUSA-N -1 3 585.682 4.594 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 ZINC000222763609 571394493 /nfs/dbraw/zinc/39/44/93/571394493.db2.gz WZNNSURYQYCBSZ-SSEXGKCCSA-N -1 3 585.682 4.594 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 ZINC000222763688 571394581 /nfs/dbraw/zinc/39/45/81/571394581.db2.gz GZTLRIRSUNDJRB-HKBQPEDESA-N -1 3 599.709 4.636 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 ZINC000222763754 571394503 /nfs/dbraw/zinc/39/45/03/571394503.db2.gz GZTLRIRSUNDJRB-WJOKGBTCSA-N -1 3 599.709 4.636 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3C)cc2)CC1 ZINC000222764421 571394610 /nfs/dbraw/zinc/39/46/10/571394610.db2.gz MDPMJOAGBOSGKP-UHFFFAOYSA-N -1 3 522.623 4.716 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCNc3ccnc4cc(Cl)ccc43)c(C)c2)cc1 ZINC000222765052 571394754 /nfs/dbraw/zinc/39/47/54/571394754.db2.gz NHEBPTWZOZVFOI-UHFFFAOYSA-N -1 3 539.057 4.913 40 0 KJABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)cc1 ZINC000222770875 571395439 /nfs/dbraw/zinc/39/54/39/571395439.db2.gz CRWOZWFDWQMSQS-MRXNPFEDSA-N -1 3 501.417 4.535 40 0 KJABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)cc1 ZINC000222770937 571395485 /nfs/dbraw/zinc/39/54/85/571395485.db2.gz CRWOZWFDWQMSQS-INIZCTEOSA-N -1 3 501.417 4.535 40 0 KJABHM CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222786466 571397348 /nfs/dbraw/zinc/39/73/48/571397348.db2.gz HHNMFDIMAMTOLR-LJQANCHMSA-N -1 3 562.063 4.602 40 0 KJABHM CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222786536 571397341 /nfs/dbraw/zinc/39/73/41/571397341.db2.gz HHNMFDIMAMTOLR-IBGZPJMESA-N -1 3 562.063 4.602 40 0 KJABHM CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222786618 571397316 /nfs/dbraw/zinc/39/73/16/571397316.db2.gz VJNXDJXSDDHFHT-HXUWFJFHSA-N -1 3 576.090 4.992 40 0 KJABHM CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222786675 571397310 /nfs/dbraw/zinc/39/73/10/571397310.db2.gz VJNXDJXSDDHFHT-FQEVSTJZSA-N -1 3 576.090 4.992 40 0 KJABHM CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222786753 571397453 /nfs/dbraw/zinc/39/74/53/571397453.db2.gz BADMUCJINRUJQQ-HXUWFJFHSA-N -1 3 576.090 4.848 40 0 KJABHM CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222786819 571397481 /nfs/dbraw/zinc/39/74/81/571397481.db2.gz BADMUCJINRUJQQ-FQEVSTJZSA-N -1 3 576.090 4.848 40 0 KJABHM C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222788999 571397723 /nfs/dbraw/zinc/39/77/23/571397723.db2.gz QZNHFFPRUJJSBX-FQEVSTJZSA-N -1 3 600.068 4.985 40 0 KJABHM C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789051 571397702 /nfs/dbraw/zinc/39/77/02/571397702.db2.gz QZNHFFPRUJJSBX-HXUWFJFHSA-N -1 3 600.068 4.985 40 0 KJABHM C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789356 571397809 /nfs/dbraw/zinc/39/78/09/571397809.db2.gz RGOLACXRLBHTKK-NRFANRHFSA-N -1 3 611.095 4.787 40 0 KJABHM C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789409 571397854 /nfs/dbraw/zinc/39/78/54/571397854.db2.gz RGOLACXRLBHTKK-OAQYLSRUSA-N -1 3 611.095 4.787 40 0 KJABHM C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789482 571397819 /nfs/dbraw/zinc/39/78/19/571397819.db2.gz JJVFWLPKHTVJTN-NRFANRHFSA-N -1 3 611.095 4.787 40 0 KJABHM C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789541 571397859 /nfs/dbraw/zinc/39/78/59/571397859.db2.gz JJVFWLPKHTVJTN-OAQYLSRUSA-N -1 3 611.095 4.787 40 0 KJABHM C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789626 571397805 /nfs/dbraw/zinc/39/78/05/571397805.db2.gz YLUBDCJBJDSQGI-NRFANRHFSA-N -1 3 611.095 4.787 40 0 KJABHM C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789688 571397800 /nfs/dbraw/zinc/39/78/00/571397800.db2.gz YLUBDCJBJDSQGI-OAQYLSRUSA-N -1 3 611.095 4.787 40 0 KJABHM CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789915 571397845 /nfs/dbraw/zinc/39/78/45/571397845.db2.gz RVPJYAYJINBUEE-OAQYLSRUSA-N -1 3 606.116 4.619 40 0 KJABHM CCOCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222789975 571397795 /nfs/dbraw/zinc/39/77/95/571397795.db2.gz RVPJYAYJINBUEE-NRFANRHFSA-N -1 3 606.116 4.619 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1CCc2cc(Br)ccc21 ZINC000222796487 571398846 /nfs/dbraw/zinc/39/88/46/571398846.db2.gz NHVQUFRSQFBMMA-UHFFFAOYSA-N -1 3 501.402 4.526 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1c2ccc(Br)cc2C[C@@H]1C ZINC000222796574 571398787 /nfs/dbraw/zinc/39/87/87/571398787.db2.gz ZTCFLNRZZIKMQY-KRWDZBQOSA-N -1 3 515.429 4.915 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1c2ccc(Br)cc2C[C@H]1C ZINC000222796636 571398784 /nfs/dbraw/zinc/39/87/84/571398784.db2.gz ZTCFLNRZZIKMQY-QGZVFWFLSA-N -1 3 515.429 4.915 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000222799191 571399274 /nfs/dbraw/zinc/39/92/74/571399274.db2.gz HTIJRIOUTKEJCM-UHFFFAOYSA-N -1 3 525.030 4.605 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000222799292 571399236 /nfs/dbraw/zinc/39/92/36/571399236.db2.gz PCZGMUYASOLNDZ-UHFFFAOYSA-N -1 3 539.057 4.995 40 0 KJABHM COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc(OC)c1OC ZINC000222799533 571399391 /nfs/dbraw/zinc/39/93/91/571399391.db2.gz DSEVDGXGXXVBCU-UHFFFAOYSA-N -1 3 549.045 4.512 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222800619 571399480 /nfs/dbraw/zinc/39/94/80/571399480.db2.gz RDAYTGVUOSKRSD-UHFFFAOYSA-N -1 3 558.085 4.522 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222801191 571399633 /nfs/dbraw/zinc/39/96/33/571399633.db2.gz HIZKNQUQWKJBKU-LJAQVGFWSA-N -1 3 606.100 4.939 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222801246 571399635 /nfs/dbraw/zinc/39/96/35/571399635.db2.gz HIZKNQUQWKJBKU-GDLZYMKVSA-N -1 3 606.100 4.939 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222801325 571399563 /nfs/dbraw/zinc/39/95/63/571399563.db2.gz IRDYVMUUKINWRV-PMERELPUSA-N -1 3 620.127 4.981 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222801407 571399592 /nfs/dbraw/zinc/39/95/92/571399592.db2.gz IRDYVMUUKINWRV-SSEXGKCCSA-N -1 3 620.127 4.981 40 0 KJABHM CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000222801490 571399570 /nfs/dbraw/zinc/39/95/70/571399570.db2.gz JAROSILWYBPTED-UHFFFAOYSA-N -1 3 517.003 4.572 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222801662 571399608 /nfs/dbraw/zinc/39/96/08/571399608.db2.gz JMLKRDLYFYQJJD-UHFFFAOYSA-N -1 3 542.057 4.632 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N1CCc2cc(Br)ccc21 ZINC000222803174 571399785 /nfs/dbraw/zinc/39/97/85/571399785.db2.gz WGEPYONWKIKXEA-UHFFFAOYSA-N -1 3 519.392 4.666 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3C)cc2)CC1 ZINC000222805260 571400152 /nfs/dbraw/zinc/40/01/52/571400152.db2.gz QSHDNKOBXAXPER-UHFFFAOYSA-N -1 3 526.586 4.547 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000222806013 571400118 /nfs/dbraw/zinc/40/01/18/571400118.db2.gz MAZLQKKPOJTBKH-UHFFFAOYSA-N -1 3 543.020 4.744 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4cc(Br)ccc43)c(C)c2)cc1 ZINC000222806656 571400202 /nfs/dbraw/zinc/40/02/02/571400202.db2.gz IWLGXDWIWSCYBC-UHFFFAOYSA-N -1 3 545.455 4.925 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 ZINC000222808061 571400426 /nfs/dbraw/zinc/40/04/26/571400426.db2.gz MQQXIZWONYLVDM-HKBQPEDESA-N -1 3 615.708 4.684 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 ZINC000222808133 571400463 /nfs/dbraw/zinc/40/04/63/571400463.db2.gz MQQXIZWONYLVDM-WJOKGBTCSA-N -1 3 615.708 4.684 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 ZINC000222808223 571400538 /nfs/dbraw/zinc/40/05/38/571400538.db2.gz QUCOHFNGAHECPL-YTTGMZPUSA-N -1 3 629.735 4.726 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)c(C)c2)cc1 ZINC000222808288 571400587 /nfs/dbraw/zinc/40/05/87/571400587.db2.gz QUCOHFNGAHECPL-JGCGQSQUSA-N -1 3 629.735 4.726 40 0 KJABHM CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(OCC)cc4)cc3C)cc2)CC1 ZINC000222808741 571400501 /nfs/dbraw/zinc/40/05/01/571400501.db2.gz HNOHMIVBXPDNFF-UHFFFAOYSA-N -1 3 552.649 4.807 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000222811253 571401025 /nfs/dbraw/zinc/40/10/25/571401025.db2.gz FHHDGPCOSADGIF-UHFFFAOYSA-N -1 3 518.686 4.656 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1C ZINC000222811332 571400943 /nfs/dbraw/zinc/40/09/43/571400943.db2.gz KJTDURDUPJROGL-HKBQPEDESA-N -1 3 599.709 4.902 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)c(C)c2)cc1C ZINC000222811395 571401088 /nfs/dbraw/zinc/40/10/88/571401088.db2.gz KJTDURDUPJROGL-WJOKGBTCSA-N -1 3 599.709 4.902 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCCc4ccccc4)Oc4ccccc43)c(C)c2)cc1C ZINC000222811466 571401080 /nfs/dbraw/zinc/40/10/80/571401080.db2.gz HJOROYKZDBRJCG-YTTGMZPUSA-N -1 3 613.736 4.945 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)c(C)c2)cc1C ZINC000222811525 571401135 /nfs/dbraw/zinc/40/11/35/571401135.db2.gz HJOROYKZDBRJCG-JGCGQSQUSA-N -1 3 613.736 4.945 40 0 KJABHM CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000222811611 571401078 /nfs/dbraw/zinc/40/10/78/571401078.db2.gz OBFGMIWCJKRNDA-UHFFFAOYSA-N -1 3 510.612 4.536 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)c(C)c2)cc1C ZINC000222811780 571401128 /nfs/dbraw/zinc/40/11/28/571401128.db2.gz TXZJMBCFLXYRGU-UHFFFAOYSA-N -1 3 535.666 4.595 40 0 KJABHM C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222865151 571407263 /nfs/dbraw/zinc/40/72/63/571407263.db2.gz DZFOYWRUKZWDIN-QFIPXVFZSA-N -1 3 593.652 4.878 40 0 KJABHM C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222865210 571407329 /nfs/dbraw/zinc/40/73/29/571407329.db2.gz DZFOYWRUKZWDIN-JOCHJYFZSA-N -1 3 593.652 4.878 40 0 KJABHM COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222865895 571407349 /nfs/dbraw/zinc/40/73/49/571407349.db2.gz LCPMLPKPKTXONJ-JOCHJYFZSA-N -1 3 623.678 4.887 40 0 KJABHM COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222865955 571407382 /nfs/dbraw/zinc/40/73/82/571407382.db2.gz LCPMLPKPKTXONJ-QFIPXVFZSA-N -1 3 623.678 4.887 40 0 KJABHM C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222866050 571407404 /nfs/dbraw/zinc/40/74/04/571407404.db2.gz JDYFUUIZSJJWHM-QHCPKHFHSA-N -1 3 607.679 4.921 40 0 KJABHM C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222866099 571407368 /nfs/dbraw/zinc/40/73/68/571407368.db2.gz JDYFUUIZSJJWHM-HSZRJFAPSA-N -1 3 607.679 4.921 40 0 KJABHM COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222866209 571407453 /nfs/dbraw/zinc/40/74/53/571407453.db2.gz LNVVRUADRNYEQH-HSZRJFAPSA-N -1 3 637.705 4.929 40 0 KJABHM COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222866264 571407490 /nfs/dbraw/zinc/40/74/90/571407490.db2.gz LNVVRUADRNYEQH-QHCPKHFHSA-N -1 3 637.705 4.929 40 0 KJABHM COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000222866351 571407486 /nfs/dbraw/zinc/40/74/86/571407486.db2.gz JGRJMCPNPGIYME-HSZRJFAPSA-N -1 3 667.731 4.938 40 0 KJABHM COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000222866406 571407456 /nfs/dbraw/zinc/40/74/56/571407456.db2.gz JGRJMCPNPGIYME-QHCPKHFHSA-N -1 3 667.731 4.938 40 0 KJABHM C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222867348 571407605 /nfs/dbraw/zinc/40/76/05/571407605.db2.gz MOQWLGCQADIEKF-NRFANRHFSA-N -1 3 637.661 4.607 40 0 KJABHM C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222867410 571407564 /nfs/dbraw/zinc/40/75/64/571407564.db2.gz MOQWLGCQADIEKF-OAQYLSRUSA-N -1 3 637.661 4.607 40 0 KJABHM COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222867817 571407742 /nfs/dbraw/zinc/40/77/42/571407742.db2.gz XKNGYWRWWZZGER-JOCHJYFZSA-N -1 3 623.678 4.887 40 0 KJABHM COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222867879 571407718 /nfs/dbraw/zinc/40/77/18/571407718.db2.gz XKNGYWRWWZZGER-QFIPXVFZSA-N -1 3 623.678 4.887 40 0 KJABHM CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222867967 571407737 /nfs/dbraw/zinc/40/77/37/571407737.db2.gz IYKLQEZATVDUGU-OAQYLSRUSA-N -1 3 573.662 4.868 40 0 KJABHM CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222868022 571407704 /nfs/dbraw/zinc/40/77/04/571407704.db2.gz IYKLQEZATVDUGU-NRFANRHFSA-N -1 3 573.662 4.868 40 0 KJABHM CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222868114 571407657 /nfs/dbraw/zinc/40/76/57/571407657.db2.gz CQXHIYIFIGZORR-OAQYLSRUSA-N -1 3 573.662 4.724 40 0 KJABHM CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222868176 571407671 /nfs/dbraw/zinc/40/76/71/571407671.db2.gz CQXHIYIFIGZORR-NRFANRHFSA-N -1 3 573.662 4.724 40 0 KJABHM CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000222873266 571408257 /nfs/dbraw/zinc/40/82/57/571408257.db2.gz HULUGCDDLYWNJT-UHFFFAOYSA-N -1 3 604.295 4.730 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000222940756 571415306 /nfs/dbraw/zinc/41/53/06/571415306.db2.gz JVEADPOJLCQJIP-QHCPKHFHSA-N -1 3 605.688 4.748 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000222940813 571415270 /nfs/dbraw/zinc/41/52/70/571415270.db2.gz JVEADPOJLCQJIP-HSZRJFAPSA-N -1 3 605.688 4.748 40 0 KJABHM COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222941373 571415412 /nfs/dbraw/zinc/41/54/12/571415412.db2.gz MQFUKHRNFGMTHP-HSZRJFAPSA-N -1 3 635.714 4.756 40 0 KJABHM COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222941429 571415348 /nfs/dbraw/zinc/41/53/48/571415348.db2.gz MQFUKHRNFGMTHP-QHCPKHFHSA-N -1 3 635.714 4.756 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222941502 571415379 /nfs/dbraw/zinc/41/53/79/571415379.db2.gz IQVNKGILNMIMLH-DEOSSOPVSA-N -1 3 619.715 4.790 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222941558 571415364 /nfs/dbraw/zinc/41/53/64/571415364.db2.gz IQVNKGILNMIMLH-XMMPIXPASA-N -1 3 619.715 4.790 40 0 KJABHM COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222941628 571415352 /nfs/dbraw/zinc/41/53/52/571415352.db2.gz UCIHYKVBSBBUKJ-XMMPIXPASA-N -1 3 649.741 4.799 40 0 KJABHM COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000222941685 571415337 /nfs/dbraw/zinc/41/53/37/571415337.db2.gz UCIHYKVBSBBUKJ-DEOSSOPVSA-N -1 3 649.741 4.799 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000222941780 571415445 /nfs/dbraw/zinc/41/54/45/571415445.db2.gz OSTCQULBJQJGEG-DEOSSOPVSA-N -1 3 679.767 4.807 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000222941847 571415503 /nfs/dbraw/zinc/41/55/03/571415503.db2.gz OSTCQULBJQJGEG-XMMPIXPASA-N -1 3 679.767 4.807 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000222943195 571415587 /nfs/dbraw/zinc/41/55/87/571415587.db2.gz JGSUGURKHHFLNQ-QHCPKHFHSA-N -1 3 635.714 4.756 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000222943262 571415562 /nfs/dbraw/zinc/41/55/62/571415562.db2.gz JGSUGURKHHFLNQ-HSZRJFAPSA-N -1 3 635.714 4.756 40 0 KJABHM CCCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222943356 571415656 /nfs/dbraw/zinc/41/56/56/571415656.db2.gz RPHFQFIRGQYTAS-JOCHJYFZSA-N -1 3 585.698 4.738 40 0 KJABHM CCCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222943424 571415624 /nfs/dbraw/zinc/41/56/24/571415624.db2.gz RPHFQFIRGQYTAS-QFIPXVFZSA-N -1 3 585.698 4.738 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCCC(C)C)cc1 ZINC000222943514 571415628 /nfs/dbraw/zinc/41/56/28/571415628.db2.gz LMWRJMAUNBILRR-QFIPXVFZSA-N -1 3 585.698 4.594 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H](C)C(=O)NCCC(C)C)cc1 ZINC000222943579 571415755 /nfs/dbraw/zinc/41/57/55/571415755.db2.gz LMWRJMAUNBILRR-JOCHJYFZSA-N -1 3 585.698 4.594 40 0 KJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1C ZINC000222996212 571420204 /nfs/dbraw/zinc/42/02/04/571420204.db2.gz QEXNLDPKZVFYCL-UHFFFAOYSA-N -1 3 507.033 4.599 40 0 KJABHM CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223012950 571421585 /nfs/dbraw/zinc/42/15/85/571421585.db2.gz SJUXXLVXLIJAQS-SSEXGKCCSA-N -1 3 589.689 4.782 40 0 KJABHM CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223013015 571421623 /nfs/dbraw/zinc/42/16/23/571421623.db2.gz SJUXXLVXLIJAQS-PMERELPUSA-N -1 3 589.689 4.782 40 0 KJABHM COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223014262 571421706 /nfs/dbraw/zinc/42/17/06/571421706.db2.gz CJHKTZOYFQIGFA-JGCGQSQUSA-N -1 3 633.742 4.798 40 0 KJABHM COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223014328 571421716 /nfs/dbraw/zinc/42/17/16/571421716.db2.gz CJHKTZOYFQIGFA-YTTGMZPUSA-N -1 3 633.742 4.798 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223015913 571422029 /nfs/dbraw/zinc/42/20/29/571422029.db2.gz YXHUDWWRSXVYCP-WEZIJMHWSA-N -1 3 645.753 4.941 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223015972 571422010 /nfs/dbraw/zinc/42/20/10/571422010.db2.gz YXHUDWWRSXVYCP-CQTOTRCISA-N -1 3 645.753 4.941 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223016037 571422012 /nfs/dbraw/zinc/42/20/12/571422012.db2.gz YXHUDWWRSXVYCP-VTIYRKAUSA-N -1 3 645.753 4.941 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223016094 571421991 /nfs/dbraw/zinc/42/19/91/571421991.db2.gz YXHUDWWRSXVYCP-ZQWAWDFXSA-N -1 3 645.753 4.941 40 0 KJABHM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2O1 ZINC000223023544 571422759 /nfs/dbraw/zinc/42/27/59/571422759.db2.gz JKXXDTYYTXEOOG-QGZVFWFLSA-N -1 3 507.037 4.805 40 0 KJABHM CCC1(CC)C[C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2O1 ZINC000223023607 571422769 /nfs/dbraw/zinc/42/27/69/571422769.db2.gz JKXXDTYYTXEOOG-KRWDZBQOSA-N -1 3 507.037 4.805 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCO ZINC000223087256 571429581 /nfs/dbraw/zinc/42/95/81/571429581.db2.gz DMLPSBTZNPFTMV-HKBQPEDESA-N -1 3 654.160 4.797 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO ZINC000223087313 571429567 /nfs/dbraw/zinc/42/95/67/571429567.db2.gz DMLPSBTZNPFTMV-WJOKGBTCSA-N -1 3 654.160 4.797 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223090602 571430070 /nfs/dbraw/zinc/43/00/70/571430070.db2.gz YWMBNOVIDCBMGY-UMSFTDKQSA-N -1 3 709.240 4.747 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223090662 571430090 /nfs/dbraw/zinc/43/00/90/571430090.db2.gz YWMBNOVIDCBMGY-UUWRZZSWSA-N -1 3 709.240 4.747 40 0 KJABHM CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223157432 571437963 /nfs/dbraw/zinc/43/79/63/571437963.db2.gz RPZWRJRMZIWVNC-GDLZYMKVSA-N -1 3 593.652 4.531 40 0 KJABHM CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223157498 571437971 /nfs/dbraw/zinc/43/79/71/571437971.db2.gz RPZWRJRMZIWVNC-LJAQVGFWSA-N -1 3 593.652 4.531 40 0 KJABHM CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223157588 571437927 /nfs/dbraw/zinc/43/79/27/571437927.db2.gz RXSFWSQUVPJOKK-SSEXGKCCSA-N -1 3 607.679 4.921 40 0 KJABHM CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223157646 571437991 /nfs/dbraw/zinc/43/79/91/571437991.db2.gz RXSFWSQUVPJOKK-PMERELPUSA-N -1 3 607.679 4.921 40 0 KJABHM COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223158729 571438175 /nfs/dbraw/zinc/43/81/75/571438175.db2.gz VTTHRCWWIKBKIJ-WJOKGBTCSA-N -1 3 637.705 4.547 40 0 KJABHM COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223158787 571438136 /nfs/dbraw/zinc/43/81/36/571438136.db2.gz VTTHRCWWIKBKIJ-HKBQPEDESA-N -1 3 637.705 4.547 40 0 KJABHM COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223158878 571438131 /nfs/dbraw/zinc/43/81/31/571438131.db2.gz SSRFKINCXSZESI-JGCGQSQUSA-N -1 3 651.732 4.937 40 0 KJABHM COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223158935 571438220 /nfs/dbraw/zinc/43/82/20/571438220.db2.gz SSRFKINCXSZESI-YTTGMZPUSA-N -1 3 651.732 4.937 40 0 KJABHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000223220395 571446944 /nfs/dbraw/zinc/44/69/44/571446944.db2.gz MXPQWDUBZXUWIZ-UHFFFAOYSA-N -1 3 509.078 4.911 40 0 KJABHM CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223228215 571447686 /nfs/dbraw/zinc/44/76/86/571447686.db2.gz BQUAFAYIWMMPPW-WJOKGBTCSA-N -1 3 619.715 4.790 40 0 KJABHM CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223228270 571447773 /nfs/dbraw/zinc/44/77/73/571447773.db2.gz BQUAFAYIWMMPPW-HKBQPEDESA-N -1 3 619.715 4.790 40 0 KJABHM COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223229403 571447797 /nfs/dbraw/zinc/44/77/97/571447797.db2.gz OGYFTSWLHYCFJL-MGBGTMOVSA-N -1 3 663.768 4.807 40 0 KJABHM COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223229455 571447935 /nfs/dbraw/zinc/44/79/35/571447935.db2.gz OGYFTSWLHYCFJL-XIFFEERXSA-N -1 3 663.768 4.807 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000223230790 571448124 /nfs/dbraw/zinc/44/81/24/571448124.db2.gz WMLMKYQUNMFCBW-TWJUONSBSA-N -1 3 675.779 4.949 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000223230854 571448174 /nfs/dbraw/zinc/44/81/74/571448174.db2.gz WMLMKYQUNMFCBW-UZNNEEJFSA-N -1 3 675.779 4.949 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000223230907 571448110 /nfs/dbraw/zinc/44/81/10/571448110.db2.gz WMLMKYQUNMFCBW-CWTKIQHKSA-N -1 3 675.779 4.949 40 0 KJABHM COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000223230963 571448167 /nfs/dbraw/zinc/44/81/67/571448167.db2.gz WMLMKYQUNMFCBW-ZFEZZJPFSA-N -1 3 675.779 4.949 40 0 KJABHM COc1ccc2c(c1)OC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000223284186 571454761 /nfs/dbraw/zinc/45/47/61/571454761.db2.gz XBUILRVJRCQDAG-INIZCTEOSA-N -1 3 543.454 4.687 40 0 KJABHM COc1ccc2c(c1)OC(C)(C)C[C@H]2[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000223284253 571454691 /nfs/dbraw/zinc/45/46/91/571454691.db2.gz XBUILRVJRCQDAG-MRXNPFEDSA-N -1 3 543.454 4.687 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000223298995 571457184 /nfs/dbraw/zinc/45/71/84/571457184.db2.gz LJKBCMNRKUYYGM-UHFFFAOYSA-N -1 3 507.037 4.684 40 0 KJABHM CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223300053 571457390 /nfs/dbraw/zinc/45/73/90/571457390.db2.gz DOVZVBJZAJLNID-GDLZYMKVSA-N -1 3 561.635 4.521 40 0 KJABHM CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223300117 571457375 /nfs/dbraw/zinc/45/73/75/571457375.db2.gz DOVZVBJZAJLNID-LJAQVGFWSA-N -1 3 561.635 4.521 40 0 KJABHM CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223300205 571457484 /nfs/dbraw/zinc/45/74/84/571457484.db2.gz WKADFQPKWCSJMA-SSEXGKCCSA-N -1 3 575.662 4.912 40 0 KJABHM CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223300271 571457472 /nfs/dbraw/zinc/45/74/72/571457472.db2.gz WKADFQPKWCSJMA-PMERELPUSA-N -1 3 575.662 4.912 40 0 KJABHM COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223301310 571457579 /nfs/dbraw/zinc/45/75/79/571457579.db2.gz XFGQYVYHLPBNAF-WJOKGBTCSA-N -1 3 605.688 4.538 40 0 KJABHM COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223301379 571457506 /nfs/dbraw/zinc/45/75/06/571457506.db2.gz XFGQYVYHLPBNAF-HKBQPEDESA-N -1 3 605.688 4.538 40 0 KJABHM COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223301458 571457497 /nfs/dbraw/zinc/45/74/97/571457497.db2.gz XCZJBTLXRGAJQZ-JGCGQSQUSA-N -1 3 619.715 4.928 40 0 KJABHM COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223301518 571457587 /nfs/dbraw/zinc/45/75/87/571457587.db2.gz XCZJBTLXRGAJQZ-YTTGMZPUSA-N -1 3 619.715 4.928 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCO)c1ccccc1 ZINC000223377425 571467836 /nfs/dbraw/zinc/46/78/36/571467836.db2.gz UVAJLAOXTUMIQJ-SSEXGKCCSA-N -1 3 626.106 4.537 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCO)c1ccccc1 ZINC000223377482 571467846 /nfs/dbraw/zinc/46/78/46/571467846.db2.gz UVAJLAOXTUMIQJ-PMERELPUSA-N -1 3 626.106 4.537 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCCO)c1ccccc1 ZINC000223377549 571467849 /nfs/dbraw/zinc/46/78/49/571467849.db2.gz SRAGQZWSSCCNAM-WJOKGBTCSA-N -1 3 640.133 4.927 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCCO)c1ccccc1 ZINC000223377596 571467810 /nfs/dbraw/zinc/46/78/10/571467810.db2.gz SRAGQZWSSCCNAM-HKBQPEDESA-N -1 3 640.133 4.927 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000223380392 571468407 /nfs/dbraw/zinc/46/84/07/571468407.db2.gz SCQSSEXXFPXKGJ-UUWRZZSWSA-N -1 3 695.213 4.877 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000223380441 571468432 /nfs/dbraw/zinc/46/84/32/571468432.db2.gz SCQSSEXXFPXKGJ-UMSFTDKQSA-N -1 3 695.213 4.877 40 0 KJABHM CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223444622 571477625 /nfs/dbraw/zinc/47/76/25/571477625.db2.gz OVJSPUSJOVTCHT-GDLZYMKVSA-N -1 3 579.625 4.661 40 0 KJABHM CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223444680 571477687 /nfs/dbraw/zinc/47/76/87/571477687.db2.gz OVJSPUSJOVTCHT-LJAQVGFWSA-N -1 3 579.625 4.661 40 0 KJABHM COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223445905 571477741 /nfs/dbraw/zinc/47/77/41/571477741.db2.gz GGAIUEFZKWQICT-WJOKGBTCSA-N -1 3 623.678 4.677 40 0 KJABHM COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223445968 571477967 /nfs/dbraw/zinc/47/79/67/571477967.db2.gz GGAIUEFZKWQICT-HKBQPEDESA-N -1 3 623.678 4.677 40 0 KJABHM CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223512638 571490510 /nfs/dbraw/zinc/49/05/10/571490510.db2.gz PVBLPGQGWNRJIB-SSEXGKCCSA-N -1 3 591.661 4.530 40 0 KJABHM CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223512685 571490494 /nfs/dbraw/zinc/49/04/94/571490494.db2.gz PVBLPGQGWNRJIB-PMERELPUSA-N -1 3 591.661 4.530 40 0 KJABHM CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223512762 571490501 /nfs/dbraw/zinc/49/05/01/571490501.db2.gz DJFXNTHBRMAJEW-WJOKGBTCSA-N -1 3 605.688 4.920 40 0 KJABHM CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223512803 571490726 /nfs/dbraw/zinc/49/07/26/571490726.db2.gz DJFXNTHBRMAJEW-HKBQPEDESA-N -1 3 605.688 4.920 40 0 KJABHM COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223513748 571490849 /nfs/dbraw/zinc/49/08/49/571490849.db2.gz GATBWDPZDJPVCX-JGCGQSQUSA-N -1 3 635.714 4.547 40 0 KJABHM COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223513797 571490878 /nfs/dbraw/zinc/49/08/78/571490878.db2.gz GATBWDPZDJPVCX-YTTGMZPUSA-N -1 3 635.714 4.547 40 0 KJABHM COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223513883 571490857 /nfs/dbraw/zinc/49/08/57/571490857.db2.gz ZQTWRNVDJFMCCC-MGBGTMOVSA-N -1 3 649.741 4.937 40 0 KJABHM COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000223513942 571491005 /nfs/dbraw/zinc/49/10/05/571491005.db2.gz ZQTWRNVDJFMCCC-XIFFEERXSA-N -1 3 649.741 4.937 40 0 KJABHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000223683698 571526348 /nfs/dbraw/zinc/52/63/48/571526348.db2.gz GZQXVKCXSSWVMS-GFCCVEGCSA-N -1 3 545.470 4.934 40 0 KJABHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000223683763 571526331 /nfs/dbraw/zinc/52/63/31/571526331.db2.gz GZQXVKCXSSWVMS-LBPRGKRZSA-N -1 3 545.470 4.934 40 0 KJABHM Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nnc([N-]C(=O)c3ccc(Cl)cc3Cl)s2)CC1 ZINC000223888415 571568611 /nfs/dbraw/zinc/56/86/11/571568611.db2.gz FIEVLFXDBJDDOX-UHFFFAOYSA-N -1 3 546.889 4.570 40 0 KJABHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCCC4)c3)s2)cc1 ZINC000223904075 571571750 /nfs/dbraw/zinc/57/17/50/571571750.db2.gz WNZKOUQGTZPRNY-UHFFFAOYSA-N -1 3 507.037 4.684 40 0 KJABHM CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000224205591 571496487 /nfs/dbraw/zinc/49/64/87/571496487.db2.gz WAOBCGXCQCZPPH-UHFFFAOYSA-N -1 3 559.844 4.621 40 0 KJABHM O=C([N-]c1nnc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)s1)c1ccc(Cl)cc1Cl ZINC000224213536 571498332 /nfs/dbraw/zinc/49/83/32/571498332.db2.gz GFIXFADAEPQFFP-UHFFFAOYSA-N -1 3 511.456 4.741 40 0 KJABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)c(OC)c1 ZINC000224456075 571550070 /nfs/dbraw/zinc/55/00/70/571550070.db2.gz ASFLPLFQPMJGEK-OAHLLOKOSA-N -1 3 531.443 4.544 40 0 KJABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)c(OC)c1 ZINC000224456129 571550079 /nfs/dbraw/zinc/55/00/79/571550079.db2.gz ASFLPLFQPMJGEK-HNNXBMFYSA-N -1 3 531.443 4.544 40 0 KJABHM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c2ccccc2O1 ZINC000224671333 571599861 /nfs/dbraw/zinc/59/98/61/571599861.db2.gz BOHKYKRCBSSWPY-QGZVFWFLSA-N -1 3 507.037 4.805 40 0 KJABHM CCC1(CC)C[C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c2ccccc2O1 ZINC000224671376 571599893 /nfs/dbraw/zinc/59/98/93/571599893.db2.gz BOHKYKRCBSSWPY-KRWDZBQOSA-N -1 3 507.037 4.805 40 0 KJABHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c3ccc(Cl)cc3Cl)s1)CC(C)(C)O2 ZINC000224725959 571611342 /nfs/dbraw/zinc/61/13/42/571611342.db2.gz ROCQJPIWNOASPV-INIZCTEOSA-N -1 3 543.454 4.687 40 0 KJABHM COc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c3ccc(Cl)cc3Cl)s1)CC(C)(C)O2 ZINC000224726014 571611361 /nfs/dbraw/zinc/61/13/61/571611361.db2.gz ROCQJPIWNOASPV-MRXNPFEDSA-N -1 3 543.454 4.687 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000224801266 571618432 /nfs/dbraw/zinc/61/84/32/571618432.db2.gz DJHHNOAKZXUXST-UHFFFAOYSA-N -1 3 507.037 4.540 40 0 KJABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1CCCN1CCOCC1 ZINC000224865975 571624656 /nfs/dbraw/zinc/62/46/56/571624656.db2.gz KHHCEJWUBQHFLR-CLJLJLNGSA-N -1 3 526.106 4.758 40 0 KJABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1CCCN1CCOCC1 ZINC000224866016 571624693 /nfs/dbraw/zinc/62/46/93/571624693.db2.gz KHHCEJWUBQHFLR-FTJBHMTQSA-N -1 3 526.106 4.758 40 0 KJABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1CCCN1CCOCC1 ZINC000224866064 571624704 /nfs/dbraw/zinc/62/47/04/571624704.db2.gz KHHCEJWUBQHFLR-IZZNHLLZSA-N -1 3 526.106 4.758 40 0 KJABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1CCCN1CCOCC1 ZINC000224866103 571624667 /nfs/dbraw/zinc/62/46/67/571624667.db2.gz KHHCEJWUBQHFLR-UIOOFZCWSA-N -1 3 526.106 4.758 40 0 KJABHM COc1ccc(-c2nnc([N-]C(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)s2)cc1 ZINC000224956223 571633593 /nfs/dbraw/zinc/63/35/93/571633593.db2.gz RETJGMGCDKSZFD-UHFFFAOYSA-N -1 3 507.037 4.540 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1cccc(I)c1 ZINC000224962980 571634357 /nfs/dbraw/zinc/63/43/57/571634357.db2.gz XFLBOCBLGDCRRT-UHFFFAOYSA-N -1 3 512.756 4.998 40 0 KJABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(I)c1 ZINC000225018299 571639378 /nfs/dbraw/zinc/63/93/78/571639378.db2.gz MMFHCXXRMOKYQB-UHFFFAOYSA-N -1 3 510.328 4.792 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3I)cc2)cc1 ZINC000225018359 571639395 /nfs/dbraw/zinc/63/93/95/571639395.db2.gz JCFSYHMHQFSHHX-UHFFFAOYSA-N -1 3 522.364 4.661 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3I)cc2)cc1 ZINC000225018962 571639438 /nfs/dbraw/zinc/63/94/38/571639438.db2.gz AXHLKDNQAFTISZ-UHFFFAOYSA-N -1 3 506.365 4.961 40 0 KJABHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c2ccccc2O1 ZINC000225192448 571656467 /nfs/dbraw/zinc/65/64/67/571656467.db2.gz RJJFQQNLHURKKK-OAHLLOKOSA-N -1 3 513.428 4.678 40 0 KJABHM CC1(C)C[C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c2ccccc2O1 ZINC000225192491 571656516 /nfs/dbraw/zinc/65/65/16/571656516.db2.gz RJJFQQNLHURKKK-HNNXBMFYSA-N -1 3 513.428 4.678 40 0 KJABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)c(C)c1 ZINC000225199238 571657130 /nfs/dbraw/zinc/65/71/30/571657130.db2.gz AVJJXXBHEYHHBX-MRXNPFEDSA-N -1 3 515.444 4.844 40 0 KJABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(OC)c(C)c1 ZINC000225199271 571657167 /nfs/dbraw/zinc/65/71/67/571657167.db2.gz AVJJXXBHEYHHBX-INIZCTEOSA-N -1 3 515.444 4.844 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000225338487 571696972 /nfs/dbraw/zinc/69/69/72/571696972.db2.gz OWCWVMJIXQJCEH-UHFFFAOYSA-N -1 3 518.686 4.512 40 0 KJABHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c3ccc(Cl)cc3Cl)s1)CC(C)(C)O2 ZINC000225358968 571720043 /nfs/dbraw/zinc/72/00/43/571720043.db2.gz UBLVWHGSUZCLBD-INIZCTEOSA-N -1 3 527.455 4.986 40 0 KJABHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c3ccc(Cl)cc3Cl)s1)CC(C)(C)O2 ZINC000225359003 571720058 /nfs/dbraw/zinc/72/00/58/571720058.db2.gz UBLVWHGSUZCLBD-MRXNPFEDSA-N -1 3 527.455 4.986 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418059 571785262 /nfs/dbraw/zinc/78/52/62/571785262.db2.gz WVJUWMRUPQAOQT-SVBPBHIXSA-N -1 3 562.721 4.500 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418096 571785297 /nfs/dbraw/zinc/78/52/97/571785297.db2.gz WVJUWMRUPQAOQT-SXOMAYOGSA-N -1 3 562.721 4.500 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418135 571785224 /nfs/dbraw/zinc/78/52/24/571785224.db2.gz WVJUWMRUPQAOQT-RRPNLBNLSA-N -1 3 562.721 4.500 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3cccnc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418179 571785389 /nfs/dbraw/zinc/78/53/89/571785389.db2.gz WVJUWMRUPQAOQT-KAYWLYCHSA-N -1 3 562.721 4.500 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418238 571785139 /nfs/dbraw/zinc/78/51/39/571785139.db2.gz NYTPSONDPMVZLY-SVBPBHIXSA-N -1 3 562.721 4.500 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccncc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418278 571785382 /nfs/dbraw/zinc/78/53/82/571785382.db2.gz NYTPSONDPMVZLY-SXOMAYOGSA-N -1 3 562.721 4.500 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418317 571785797 /nfs/dbraw/zinc/78/57/97/571785797.db2.gz NYTPSONDPMVZLY-RRPNLBNLSA-N -1 3 562.721 4.500 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccncc3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418348 571785685 /nfs/dbraw/zinc/78/56/85/571785685.db2.gz NYTPSONDPMVZLY-KAYWLYCHSA-N -1 3 562.721 4.500 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418407 571785598 /nfs/dbraw/zinc/78/55/98/571785598.db2.gz FDLFYDRQQHAOEO-GOTSBHOMSA-N -1 3 554.723 4.503 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418444 571785759 /nfs/dbraw/zinc/78/57/59/571785759.db2.gz FDLFYDRQQHAOEO-PKTZIBPZSA-N -1 3 554.723 4.503 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418485 571785654 /nfs/dbraw/zinc/78/56/54/571785654.db2.gz FDLFYDRQQHAOEO-XZOQPEGZSA-N -1 3 554.723 4.503 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225418515 571785814 /nfs/dbraw/zinc/78/58/14/571785814.db2.gz FDLFYDRQQHAOEO-DHIUTWEWSA-N -1 3 554.723 4.503 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225419788 571787323 /nfs/dbraw/zinc/78/73/23/571787323.db2.gz LUONERPJJMMERT-UIOOFZCWSA-N -1 3 551.694 4.698 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225419823 571787352 /nfs/dbraw/zinc/78/73/52/571787352.db2.gz LUONERPJJMMERT-FTJBHMTQSA-N -1 3 551.694 4.698 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225419858 571787196 /nfs/dbraw/zinc/78/71/96/571787196.db2.gz LUONERPJJMMERT-IZZNHLLZSA-N -1 3 551.694 4.698 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225419892 571787364 /nfs/dbraw/zinc/78/73/64/571787364.db2.gz LUONERPJJMMERT-CLJLJLNGSA-N -1 3 551.694 4.698 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000225420696 571787921 /nfs/dbraw/zinc/78/79/21/571787921.db2.gz INJOSXBIVAWPIG-UIOOFZCWSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000225420732 571787812 /nfs/dbraw/zinc/78/78/12/571787812.db2.gz INJOSXBIVAWPIG-FTJBHMTQSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000225420779 571788188 /nfs/dbraw/zinc/78/81/88/571788188.db2.gz INJOSXBIVAWPIG-IZZNHLLZSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)ccc1[N-]S(C)(=O)=O ZINC000225420824 571788441 /nfs/dbraw/zinc/78/84/41/571788441.db2.gz INJOSXBIVAWPIG-CLJLJLNGSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000225422150 571788901 /nfs/dbraw/zinc/78/89/01/571788901.db2.gz RWADXASCANWPCJ-ZEQRLZLVSA-N -1 3 511.673 4.555 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000225422189 571788848 /nfs/dbraw/zinc/78/88/48/571788848.db2.gz RWADXASCANWPCJ-RPWUZVMVSA-N -1 3 511.673 4.555 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000225422227 571788805 /nfs/dbraw/zinc/78/88/05/571788805.db2.gz RWADXASCANWPCJ-BJKOFHAPSA-N -1 3 511.673 4.555 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)ccc1[N-]S(C)(=O)=O ZINC000225422268 571789186 /nfs/dbraw/zinc/78/91/86/571789186.db2.gz RWADXASCANWPCJ-DNQXCXABSA-N -1 3 511.673 4.555 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225423232 571790035 /nfs/dbraw/zinc/79/00/35/571790035.db2.gz OHHVOIMFESFZPL-ZEQRLZLVSA-N -1 3 513.689 4.638 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225423263 571789947 /nfs/dbraw/zinc/78/99/47/571789947.db2.gz OHHVOIMFESFZPL-RPWUZVMVSA-N -1 3 513.689 4.638 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225423303 571789942 /nfs/dbraw/zinc/78/99/42/571789942.db2.gz OHHVOIMFESFZPL-BJKOFHAPSA-N -1 3 513.689 4.638 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)ccc1[N-]S(C)(=O)=O ZINC000225423347 571789949 /nfs/dbraw/zinc/78/99/49/571789949.db2.gz OHHVOIMFESFZPL-DNQXCXABSA-N -1 3 513.689 4.638 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000225432586 571799861 /nfs/dbraw/zinc/79/98/61/571799861.db2.gz YGGZNJNDPOQPRY-DQEYMECFSA-N -1 3 525.700 4.946 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000225432626 571799962 /nfs/dbraw/zinc/79/99/62/571799962.db2.gz YGGZNJNDPOQPRY-RPBOFIJWSA-N -1 3 525.700 4.946 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000225432665 571799833 /nfs/dbraw/zinc/79/98/33/571799833.db2.gz YGGZNJNDPOQPRY-LOSJGSFVSA-N -1 3 525.700 4.946 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)ccc1[N-]S(C)(=O)=O ZINC000225432701 571799721 /nfs/dbraw/zinc/79/97/21/571799721.db2.gz YGGZNJNDPOQPRY-JWQCQUIFSA-N -1 3 525.700 4.946 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)ccc1[N-]S(C)(=O)=O ZINC000225432923 571800183 /nfs/dbraw/zinc/80/01/83/571800183.db2.gz RYYMLTIINLPTNS-UIOOFZCWSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)ccc1[N-]S(C)(=O)=O ZINC000225432969 571800237 /nfs/dbraw/zinc/80/02/37/571800237.db2.gz RYYMLTIINLPTNS-FTJBHMTQSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)ccc1[N-]S(C)(=O)=O ZINC000225433005 571800405 /nfs/dbraw/zinc/80/04/05/571800405.db2.gz RYYMLTIINLPTNS-IZZNHLLZSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)ccc1[N-]S(C)(=O)=O ZINC000225433039 571800296 /nfs/dbraw/zinc/80/02/96/571800296.db2.gz RYYMLTIINLPTNS-CLJLJLNGSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)ccc1[N-]S(C)(=O)=O ZINC000225433098 571800336 /nfs/dbraw/zinc/80/03/36/571800336.db2.gz VNRHHRZFSBROAQ-UIOOFZCWSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)ccc1[N-]S(C)(=O)=O ZINC000225433141 571800204 /nfs/dbraw/zinc/80/02/04/571800204.db2.gz VNRHHRZFSBROAQ-FTJBHMTQSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)ccc1[N-]S(C)(=O)=O ZINC000225433180 571800264 /nfs/dbraw/zinc/80/02/64/571800264.db2.gz VNRHHRZFSBROAQ-IZZNHLLZSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)ccc1[N-]S(C)(=O)=O ZINC000225433217 571800198 /nfs/dbraw/zinc/80/01/98/571800198.db2.gz VNRHHRZFSBROAQ-CLJLJLNGSA-N -1 3 533.679 4.738 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)ccc1[N-]S(C)(=O)=O ZINC000225433632 571800622 /nfs/dbraw/zinc/80/06/22/571800622.db2.gz KLZIIVOQBVKUKJ-DQEYMECFSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)ccc1[N-]S(C)(=O)=O ZINC000225433670 571800729 /nfs/dbraw/zinc/80/07/29/571800729.db2.gz KLZIIVOQBVKUKJ-RPBOFIJWSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)ccc1[N-]S(C)(=O)=O ZINC000225433707 571800825 /nfs/dbraw/zinc/80/08/25/571800825.db2.gz KLZIIVOQBVKUKJ-LOSJGSFVSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)ccc1[N-]S(C)(=O)=O ZINC000225433748 571800737 /nfs/dbraw/zinc/80/07/37/571800737.db2.gz KLZIIVOQBVKUKJ-JWQCQUIFSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)ccc1[N-]S(C)(=O)=O ZINC000225433803 571800676 /nfs/dbraw/zinc/80/06/76/571800676.db2.gz LRCYNRRCIIWLCH-DQEYMECFSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)ccc1[N-]S(C)(=O)=O ZINC000225433847 571800606 /nfs/dbraw/zinc/80/06/06/571800606.db2.gz LRCYNRRCIIWLCH-RPBOFIJWSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)ccc1[N-]S(C)(=O)=O ZINC000225433889 571800717 /nfs/dbraw/zinc/80/07/17/571800717.db2.gz LRCYNRRCIIWLCH-LOSJGSFVSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)ccc1[N-]S(C)(=O)=O ZINC000225433936 571800651 /nfs/dbraw/zinc/80/06/51/571800651.db2.gz LRCYNRRCIIWLCH-JWQCQUIFSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)ccc1[N-]S(C)(=O)=O ZINC000225433988 571800705 /nfs/dbraw/zinc/80/07/05/571800705.db2.gz CFFLDQIXWKWZBO-DQEYMECFSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)ccc1[N-]S(C)(=O)=O ZINC000225434025 571801363 /nfs/dbraw/zinc/80/13/63/571801363.db2.gz CFFLDQIXWKWZBO-RPBOFIJWSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)ccc1[N-]S(C)(=O)=O ZINC000225434068 571801395 /nfs/dbraw/zinc/80/13/95/571801395.db2.gz CFFLDQIXWKWZBO-LOSJGSFVSA-N -1 3 537.642 4.569 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)ccc1[N-]S(C)(=O)=O ZINC000225434107 571801386 /nfs/dbraw/zinc/80/13/86/571801386.db2.gz CFFLDQIXWKWZBO-JWQCQUIFSA-N -1 3 537.642 4.569 40 0 KJABHM CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000225434994 571802359 /nfs/dbraw/zinc/80/23/59/571802359.db2.gz UIYCPTIQQOHCFW-KAYWLYCHSA-N -1 3 563.705 4.828 40 0 KJABHM CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000225435035 571802408 /nfs/dbraw/zinc/80/24/08/571802408.db2.gz UIYCPTIQQOHCFW-SXOMAYOGSA-N -1 3 563.705 4.828 40 0 KJABHM CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000225435067 571802292 /nfs/dbraw/zinc/80/22/92/571802292.db2.gz UIYCPTIQQOHCFW-RRPNLBNLSA-N -1 3 563.705 4.828 40 0 KJABHM CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)cc1 ZINC000225435114 571802310 /nfs/dbraw/zinc/80/23/10/571802310.db2.gz UIYCPTIQQOHCFW-SVBPBHIXSA-N -1 3 563.705 4.828 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)ccc1[N-]S(C)(=O)=O ZINC000225436962 571805169 /nfs/dbraw/zinc/80/51/69/571805169.db2.gz MUGVDUHJBPQOHP-DQEYMECFSA-N -1 3 520.636 4.899 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)ccc1[N-]S(C)(=O)=O ZINC000225436998 571805308 /nfs/dbraw/zinc/80/53/08/571805308.db2.gz MUGVDUHJBPQOHP-RPBOFIJWSA-N -1 3 520.636 4.899 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)ccc1[N-]S(C)(=O)=O ZINC000225437031 571805100 /nfs/dbraw/zinc/80/51/00/571805100.db2.gz MUGVDUHJBPQOHP-LOSJGSFVSA-N -1 3 520.636 4.899 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)ccc1[N-]S(C)(=O)=O ZINC000225437069 571805153 /nfs/dbraw/zinc/80/51/53/571805153.db2.gz MUGVDUHJBPQOHP-JWQCQUIFSA-N -1 3 520.636 4.899 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)ccc1[N-]S(C)(=O)=O ZINC000225441059 571811555 /nfs/dbraw/zinc/81/15/55/571811555.db2.gz HYAXJJQGWJZLPM-ZEQRLZLVSA-N -1 3 511.673 4.555 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)ccc1[N-]S(C)(=O)=O ZINC000225441089 571811629 /nfs/dbraw/zinc/81/16/29/571811629.db2.gz HYAXJJQGWJZLPM-RPWUZVMVSA-N -1 3 511.673 4.555 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)ccc1[N-]S(C)(=O)=O ZINC000225441128 571811550 /nfs/dbraw/zinc/81/15/50/571811550.db2.gz HYAXJJQGWJZLPM-BJKOFHAPSA-N -1 3 511.673 4.555 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)ccc1[N-]S(C)(=O)=O ZINC000225441165 571811504 /nfs/dbraw/zinc/81/15/04/571811504.db2.gz HYAXJJQGWJZLPM-DNQXCXABSA-N -1 3 511.673 4.555 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)ccc1[N-]S(C)(=O)=O ZINC000225441215 571811626 /nfs/dbraw/zinc/81/16/26/571811626.db2.gz RJIHGODVASFBKK-DQEYMECFSA-N -1 3 525.700 4.946 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)ccc1[N-]S(C)(=O)=O ZINC000225441249 571811500 /nfs/dbraw/zinc/81/15/00/571811500.db2.gz RJIHGODVASFBKK-RPBOFIJWSA-N -1 3 525.700 4.946 40 0 KJABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)ccc1[N-]S(C)(=O)=O ZINC000225441281 571811609 /nfs/dbraw/zinc/81/16/09/571811609.db2.gz RJIHGODVASFBKK-LOSJGSFVSA-N -1 3 525.700 4.946 40 0 KJABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)ccc1[N-]S(C)(=O)=O ZINC000225441325 571811566 /nfs/dbraw/zinc/81/15/66/571811566.db2.gz RJIHGODVASFBKK-JWQCQUIFSA-N -1 3 525.700 4.946 40 0 KJABHM COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)cc1 ZINC000225443625 571814624 /nfs/dbraw/zinc/81/46/24/571814624.db2.gz YIQMMYBPAHYMDW-CLJLJLNGSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)cc1 ZINC000225443666 571814586 /nfs/dbraw/zinc/81/45/86/571814586.db2.gz YIQMMYBPAHYMDW-FTJBHMTQSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)cc1 ZINC000225443703 571814427 /nfs/dbraw/zinc/81/44/27/571814427.db2.gz YIQMMYBPAHYMDW-IZZNHLLZSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)cc1 ZINC000225443740 571814574 /nfs/dbraw/zinc/81/45/74/571814574.db2.gz YIQMMYBPAHYMDW-UIOOFZCWSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)c1 ZINC000225443796 571815017 /nfs/dbraw/zinc/81/50/17/571815017.db2.gz CWZNBGJTFVLGIN-CLJLJLNGSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)c1 ZINC000225443832 571815005 /nfs/dbraw/zinc/81/50/05/571815005.db2.gz CWZNBGJTFVLGIN-FTJBHMTQSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)c1 ZINC000225443867 571814951 /nfs/dbraw/zinc/81/49/51/571814951.db2.gz CWZNBGJTFVLGIN-IZZNHLLZSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc([N-]S(C)(=O)=O)c(OC)c3)o2)c1 ZINC000225443908 571814995 /nfs/dbraw/zinc/81/49/95/571814995.db2.gz CWZNBGJTFVLGIN-UIOOFZCWSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)o1 ZINC000225443970 571815010 /nfs/dbraw/zinc/81/50/10/571815010.db2.gz ITXHORSUQQFKMN-CLJLJLNGSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)o1 ZINC000225444012 571815104 /nfs/dbraw/zinc/81/51/04/571815104.db2.gz ITXHORSUQQFKMN-FTJBHMTQSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)o1 ZINC000225444055 571815049 /nfs/dbraw/zinc/81/50/49/571815049.db2.gz ITXHORSUQQFKMN-IZZNHLLZSA-N -1 3 578.672 4.685 40 0 KJABHM COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)o1 ZINC000225444091 571815040 /nfs/dbraw/zinc/81/50/40/571815040.db2.gz ITXHORSUQQFKMN-UIOOFZCWSA-N -1 3 578.672 4.685 40 0 KJABHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000225611568 571963760 /nfs/dbraw/zinc/96/37/60/571963760.db2.gz XPQWMLBGXQQJGV-UHFFFAOYSA-N -1 3 509.078 4.911 40 0 KJABHM Cc1ccc2c(c1)OC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225690799 572025836 /nfs/dbraw/zinc/02/58/36/572025836.db2.gz OSCYTLFXDVHCJC-INIZCTEOSA-N -1 3 527.455 4.986 40 0 KJABHM Cc1ccc2c(c1)OC(C)(C)C[C@H]2[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225690825 572025879 /nfs/dbraw/zinc/02/58/79/572025879.db2.gz OSCYTLFXDVHCJC-MRXNPFEDSA-N -1 3 527.455 4.986 40 0 KJABHM O=C([N-]c1nnc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1)c1ccc(Cl)cc1Cl ZINC000225831747 572074856 /nfs/dbraw/zinc/07/48/56/572074856.db2.gz VAONZWFDQVSTFL-UHFFFAOYSA-N -1 3 566.414 4.627 40 0 KJABHM CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225882541 572080156 /nfs/dbraw/zinc/08/01/56/572080156.db2.gz OODGYGBAIYJFOR-UHFFFAOYSA-N -1 3 559.844 4.621 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)c(C)c2)cc1 ZINC000226054254 572118141 /nfs/dbraw/zinc/11/81/41/572118141.db2.gz FGZSZIHKKGXDCV-UHFFFAOYSA-N -1 3 550.637 4.919 40 0 KJABHM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4)cc3C)c2)cs1 ZINC000226054301 572118342 /nfs/dbraw/zinc/11/83/42/572118342.db2.gz DNQXUEBQUOJEEF-UHFFFAOYSA-N -1 3 568.677 4.996 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 ZINC000226055673 572119252 /nfs/dbraw/zinc/11/92/52/572119252.db2.gz ACFLKWRPTGWPLC-UHFFFAOYSA-N -1 3 520.611 4.911 40 0 KJABHM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3C)c2)cs1 ZINC000226055705 572119271 /nfs/dbraw/zinc/11/92/71/572119271.db2.gz ZQNRGPUKZQGCBZ-UHFFFAOYSA-N -1 3 538.651 4.987 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3C)c2)n1 ZINC000226055835 572119088 /nfs/dbraw/zinc/11/90/88/572119088.db2.gz YBQMUNZBTSEQFZ-UHFFFAOYSA-N -1 3 539.013 4.525 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)c2)n1 ZINC000226063240 572122139 /nfs/dbraw/zinc/12/21/39/572122139.db2.gz XLTZXWSQANESST-UHFFFAOYSA-N -1 3 557.459 4.882 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3ccccc3Cl)S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000226063802 572122261 /nfs/dbraw/zinc/12/22/61/572122261.db2.gz SWHLYWNQTFRROE-UHFFFAOYSA-N -1 3 557.459 4.882 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2)n1 ZINC000226064197 572122639 /nfs/dbraw/zinc/12/26/39/572122639.db2.gz OUECKMTVUUBILW-UHFFFAOYSA-N -1 3 557.459 4.882 40 0 KJABHM Cc1ccc(CN(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000226064347 572122636 /nfs/dbraw/zinc/12/26/36/572122636.db2.gz HNGNEVZBXWLQJF-UHFFFAOYSA-N -1 3 537.041 4.537 40 0 KJABHM Cc1cccc(CN(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000226064687 572122954 /nfs/dbraw/zinc/12/29/54/572122954.db2.gz NUMUCLOMHTZDHR-UHFFFAOYSA-N -1 3 537.041 4.537 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000226064889 572123013 /nfs/dbraw/zinc/12/30/13/572123013.db2.gz CEPQQAZFIIUSMQ-UHFFFAOYSA-N -1 3 557.459 4.882 40 0 KJABHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)Cc2c(F)cccc2Cl)cc1 ZINC000226066396 572123656 /nfs/dbraw/zinc/12/36/56/572123656.db2.gz RXKZMCCNQFSXCC-UHFFFAOYSA-N -1 3 555.031 4.676 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000226066629 572123969 /nfs/dbraw/zinc/12/39/69/572123969.db2.gz MOLWXJKIJMSZCA-UHFFFAOYSA-N -1 3 601.910 4.991 40 0 KJABHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)Cc2ccc(Br)cc2)cc1 ZINC000226066830 572123889 /nfs/dbraw/zinc/12/38/89/572123889.db2.gz KTMNQTXAHVCMOD-UHFFFAOYSA-N -1 3 581.492 4.646 40 0 KJABHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)Cc2cccc(Cl)c2)cc1 ZINC000226067869 572124410 /nfs/dbraw/zinc/12/44/10/572124410.db2.gz FIBCDSWTJQDXBZ-UHFFFAOYSA-N -1 3 537.041 4.537 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3cccc(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000226068047 572124812 /nfs/dbraw/zinc/12/48/12/572124812.db2.gz SKGQHGSXAAMGMU-UHFFFAOYSA-N -1 3 557.459 4.882 40 0 KJABHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)Cc2ccccc2Cl)cc1 ZINC000226068227 572124714 /nfs/dbraw/zinc/12/47/14/572124714.db2.gz BFDNUYYTNHXPDZ-UHFFFAOYSA-N -1 3 537.041 4.537 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000226068570 572125030 /nfs/dbraw/zinc/12/50/30/572125030.db2.gz LTNNAGXUTYNPPA-UHFFFAOYSA-N -1 3 537.041 4.537 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)c2)n1 ZINC000226068757 572125052 /nfs/dbraw/zinc/12/50/52/572125052.db2.gz HUPVKOTZSVKQQS-UHFFFAOYSA-N -1 3 571.486 4.924 40 0 KJABHM Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)Cc2ccccc2)c(C)c1 ZINC000226068990 572125247 /nfs/dbraw/zinc/12/52/47/572125247.db2.gz RIZJWQBTWNDQKE-UHFFFAOYSA-N -1 3 530.650 4.500 40 0 KJABHM Cc1ccc(CN(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000226069197 572125157 /nfs/dbraw/zinc/12/51/57/572125157.db2.gz WDUUNHNRUQEHKM-UHFFFAOYSA-N -1 3 581.492 4.646 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC000226069394 572125165 /nfs/dbraw/zinc/12/51/65/572125165.db2.gz IOCLPERNTHYDAT-UHFFFAOYSA-N -1 3 601.910 4.991 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(Cc3ccccc3Cl)S(=O)(=O)c3ccc(Br)cc3)c2)n1 ZINC000226070055 572125530 /nfs/dbraw/zinc/12/55/30/572125530.db2.gz VFWANGFKXFKAPV-UHFFFAOYSA-N -1 3 601.910 4.991 40 0 KJABHM Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)c1 ZINC000226070475 572125516 /nfs/dbraw/zinc/12/55/16/572125516.db2.gz PTUUXGFZKPJDNT-UHFFFAOYSA-N -1 3 544.677 4.543 40 0 KJABHM Cc1ccc(CN(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000226070675 572126111 /nfs/dbraw/zinc/12/61/11/572126111.db2.gz SMBYUXXOTVAADB-UHFFFAOYSA-N -1 3 544.677 4.809 40 0 KJABHM Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C2CCCCC2)c(C)c1 ZINC000226070905 572126266 /nfs/dbraw/zinc/12/62/66/572126266.db2.gz AYQGLXYHGZLGDR-UHFFFAOYSA-N -1 3 522.671 4.633 40 0 KJABHM COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)c1ccc(Cl)cc1 ZINC000226072413 572126660 /nfs/dbraw/zinc/12/66/60/572126660.db2.gz YCGLQBMPPIFNFI-UHFFFAOYSA-N -1 3 553.040 4.550 40 0 KJABHM COc1ccc(N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000226074140 572127456 /nfs/dbraw/zinc/12/74/56/572127456.db2.gz DJJKBPKHFVBLBO-UHFFFAOYSA-N -1 3 583.066 4.558 40 0 KJABHM COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)c1ccc(C)c(Cl)c1 ZINC000226074334 572127789 /nfs/dbraw/zinc/12/77/89/572127789.db2.gz SSBWLBLQCSDQPA-UHFFFAOYSA-N -1 3 567.067 4.858 40 0 KJABHM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)Cc2ccccc2)cc1Cl ZINC000226076411 572128822 /nfs/dbraw/zinc/12/88/22/572128822.db2.gz QZCJPVGIQUPSMD-UHFFFAOYSA-N -1 3 567.067 4.627 40 0 KJABHM CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)c(Cl)c2)cc1 ZINC000226080765 572130680 /nfs/dbraw/zinc/13/06/80/572130680.db2.gz KTGZORIRYRACNY-UHFFFAOYSA-N -1 3 569.039 4.616 40 0 KJABHM Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)c2)n1 ZINC000226080925 572130771 /nfs/dbraw/zinc/13/07/71/572130771.db2.gz UERQHSYTGSYXRN-UHFFFAOYSA-N -1 3 559.431 4.870 40 0 KJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3)c2)n1 ZINC000226083262 572131667 /nfs/dbraw/zinc/13/16/67/572131667.db2.gz DKSXHYPVNVADAR-UHFFFAOYSA-N -1 3 539.013 4.525 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)cc1 ZINC000226083585 572131878 /nfs/dbraw/zinc/13/18/78/572131878.db2.gz MDFWZGHFRDDDHH-UHFFFAOYSA-N -1 3 520.611 4.911 40 0 KJABHM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)c2)cs1 ZINC000226083618 572132098 /nfs/dbraw/zinc/13/20/98/572132098.db2.gz LVWLYDNQDASZAE-UHFFFAOYSA-N -1 3 538.651 4.987 40 0 KJABHM CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)cc2)no1 ZINC000226084243 572132192 /nfs/dbraw/zinc/13/21/92/572132192.db2.gz VGWZYJKGQUCDSZ-UHFFFAOYSA-N -1 3 524.574 4.741 40 0 KJABHM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)c2)cs1 ZINC000226084275 572132155 /nfs/dbraw/zinc/13/21/55/572132155.db2.gz NBCHAYAQOMTSLC-UHFFFAOYSA-N -1 3 542.614 4.818 40 0 KJABHM CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2)no1 ZINC000226084547 572132693 /nfs/dbraw/zinc/13/26/93/572132693.db2.gz GCPGDUICAZCXSV-UHFFFAOYSA-N -1 3 506.584 4.602 40 0 KJABHM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)c2)cs1 ZINC000226084576 572132859 /nfs/dbraw/zinc/13/28/59/572132859.db2.gz YDXDFQHSYPUEJC-UHFFFAOYSA-N -1 3 524.624 4.679 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)c1 ZINC000226084691 572132608 /nfs/dbraw/zinc/13/26/08/572132608.db2.gz MRRXZAWMNMCYAE-UHFFFAOYSA-N -1 3 520.611 4.911 40 0 KJABHM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)c2)cs1 ZINC000226084721 572132653 /nfs/dbraw/zinc/13/26/53/572132653.db2.gz GRAUIKHNFABAEK-UHFFFAOYSA-N -1 3 538.651 4.987 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)cc1 ZINC000226084751 572132861 /nfs/dbraw/zinc/13/28/61/572132861.db2.gz JZQGRCGKCOLGLT-UHFFFAOYSA-N -1 3 519.417 4.893 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)cc1 ZINC000226084831 572132739 /nfs/dbraw/zinc/13/27/39/572132739.db2.gz YEGYEIWNPGSDRP-UHFFFAOYSA-N -1 3 536.610 4.611 40 0 KJABHM CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4)cc3)c2)cs1 ZINC000226084861 572132571 /nfs/dbraw/zinc/13/25/71/572132571.db2.gz AGSYYFKZHSNEAW-UHFFFAOYSA-N -1 3 554.650 4.687 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(-c4csc(C)n4)c3)cc2)cc1 ZINC000226084875 572132590 /nfs/dbraw/zinc/13/25/90/572132590.db2.gz PRRAWIIGKREQIW-UHFFFAOYSA-N -1 3 509.609 4.945 40 0 KJABHM Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)c2)n1 ZINC000226084993 572132838 /nfs/dbraw/zinc/13/28/38/572132838.db2.gz SRFXKEZUPRWSMA-UHFFFAOYSA-N -1 3 558.538 4.582 40 0 KJABHM CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[n-]3)C2)cc1 ZINC000227148125 572150995 /nfs/dbraw/zinc/15/09/95/572150995.db2.gz ATRSQMHWQLJTNE-JOCHJYFZSA-N -1 3 674.249 4.540 40 0 KJABHM CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)C2)cc1 ZINC000229922377 572170390 /nfs/dbraw/zinc/17/03/90/572170390.db2.gz NNIXKXFKYXAYMZ-JOCHJYFZSA-N -1 3 674.249 4.540 40 0 KJABHM COc1cccc([C@@H]2[C@@H]3CCc4ccccc4[C@H]3N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)c1 ZINC000252430775 572260786 /nfs/dbraw/zinc/26/07/86/572260786.db2.gz JMWUQTXUDWURDB-LSKZVTGKSA-N -1 3 533.049 4.641 40 0 KJABHM COc1cccc([C@@H]2[C@H]3CCc4ccccc4[C@H]3N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)c1 ZINC000252430776 572260780 /nfs/dbraw/zinc/26/07/80/572260780.db2.gz JMWUQTXUDWURDB-NAYLZMBHSA-N -1 3 533.049 4.641 40 0 KJABHM Cc1cc(=O)n(-c2cccc(NC(=O)CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3NC(=O)OC(C)(C)C)c2)[n-]1 ZINC000257260822 572312034 /nfs/dbraw/zinc/31/20/34/572312034.db2.gz LENOWRZATILTBR-RDGATRHJSA-N -1 3 519.646 4.543 40 0 KJABHM Cc1cc(=O)n(-c2cccc(NC(=O)CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]3NC(=O)OC(C)(C)C)c2)[n-]1 ZINC000257303542 572316237 /nfs/dbraw/zinc/31/62/37/572316237.db2.gz SHQLVGLPHPDSKN-BVAGGSTKSA-N -1 3 533.673 4.933 40 0 KJABHM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Br)c([O-])c(OCC)c1 ZINC000261361685 572103815 /nfs/dbraw/zinc/10/38/15/572103815.db2.gz ANIBDAZGPFHYPO-FQEVSTJZSA-O -1 3 504.430 4.868 40 0 KJABHM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Br)c([O-])c(OCC)c1 ZINC000261361687 572103679 /nfs/dbraw/zinc/10/36/79/572103679.db2.gz ANIBDAZGPFHYPO-HXUWFJFHSA-O -1 3 504.430 4.868 40 0 KJABHM COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)cc(I)c1[O-] ZINC000261362116 572103876 /nfs/dbraw/zinc/10/38/76/572103876.db2.gz FXCLMZSNNIBTDF-JOCHJYFZSA-O -1 3 571.420 4.720 40 0 KJABHM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)cc(I)c1[O-] ZINC000261362120 572103901 /nfs/dbraw/zinc/10/39/01/572103901.db2.gz FXCLMZSNNIBTDF-QFIPXVFZSA-O -1 3 571.420 4.720 40 0 KJABHM COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)cc(Br)c1[O-] ZINC000261362617 572104181 /nfs/dbraw/zinc/10/41/81/572104181.db2.gz MGYWGDMYKXJJNA-JOCHJYFZSA-O -1 3 524.420 4.878 40 0 KJABHM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)cc(Br)c1[O-] ZINC000261362619 572104269 /nfs/dbraw/zinc/10/42/69/572104269.db2.gz MGYWGDMYKXJJNA-QFIPXVFZSA-O -1 3 524.420 4.878 40 0 KJABHM CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(Cl)c1[O-] ZINC000261363192 572105280 /nfs/dbraw/zinc/10/52/80/572105280.db2.gz GKDSDQUVIPLMSG-GOSISDBHSA-O -1 3 510.821 4.741 40 0 KJABHM CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(Cl)c1[O-] ZINC000261363195 572105094 /nfs/dbraw/zinc/10/50/94/572105094.db2.gz GKDSDQUVIPLMSG-SFHVURJKSA-O -1 3 510.821 4.741 40 0 KJABHM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Br)c([O-])c(OC)c1 ZINC000261363610 572105693 /nfs/dbraw/zinc/10/56/93/572105693.db2.gz UEDOGHVNCFRWNP-FQEVSTJZSA-O -1 3 504.430 4.868 40 0 KJABHM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Br)c([O-])c(OC)c1 ZINC000261363611 572105807 /nfs/dbraw/zinc/10/58/07/572105807.db2.gz UEDOGHVNCFRWNP-HXUWFJFHSA-O -1 3 504.430 4.868 40 0 KJABHM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(I)c([O-])c(OCC)c1 ZINC000261363841 572105716 /nfs/dbraw/zinc/10/57/16/572105716.db2.gz XDBCOXJOCNUTDD-FQEVSTJZSA-O -1 3 551.430 4.710 40 0 KJABHM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(I)c([O-])c(OCC)c1 ZINC000261363842 572105829 /nfs/dbraw/zinc/10/58/29/572105829.db2.gz XDBCOXJOCNUTDD-HXUWFJFHSA-O -1 3 551.430 4.710 40 0 KJABHM CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(Br)c1[O-] ZINC000261364068 572106375 /nfs/dbraw/zinc/10/63/75/572106375.db2.gz JBBCJKOZDUUSBK-GOSISDBHSA-O -1 3 555.272 4.850 40 0 KJABHM CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(Br)c1[O-] ZINC000261364069 572106317 /nfs/dbraw/zinc/10/63/17/572106317.db2.gz JBBCJKOZDUUSBK-SFHVURJKSA-O -1 3 555.272 4.850 40 0 KJABHM COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C=CC(=O)NCCCCCC[N-]C(=O)C(F)(F)F)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000299888318 572141083 /nfs/dbraw/zinc/14/10/83/572141083.db2.gz FHJKJNOZOPKQQQ-WXGKXAFSSA-N -1 3 794.824 4.992 40 0 KJABHM CN(C)CCNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329040315 572150302 /nfs/dbraw/zinc/15/03/02/572150302.db2.gz SDFLFWODYBNEIV-UHFFFAOYSA-N -1 3 502.324 4.616 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000408529499 572168328 /nfs/dbraw/zinc/16/83/28/572168328.db2.gz IEFYQOFJZPWBIJ-UHFFFAOYSA-N -1 3 559.663 4.939 40 0 KJABHM CCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1cc(Br)ccc1[O-] ZINC000408533758 572184455 /nfs/dbraw/zinc/18/44/55/572184455.db2.gz QMRWLQGEUMNTAZ-UHFFFAOYSA-N -1 3 517.434 4.682 40 0 KJABHM CCOC(=O)c1cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)ccc1Cl ZINC000408541595 572208963 /nfs/dbraw/zinc/20/89/63/572208963.db2.gz CHGPIBHTNIZQOM-UHFFFAOYSA-N -1 3 511.785 4.501 40 0 KJABHM CCOC(=O)c1cc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)ccc1Cl ZINC000408541595 572208960 /nfs/dbraw/zinc/20/89/60/572208960.db2.gz CHGPIBHTNIZQOM-UHFFFAOYSA-N -1 3 511.785 4.501 40 0 KJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(Br)cc1F ZINC000408541925 572209597 /nfs/dbraw/zinc/20/95/97/572209597.db2.gz FWNLMXNGAWUTBV-UHFFFAOYSA-N -1 3 502.163 4.572 40 0 KJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(Br)cc1F ZINC000408541925 572209595 /nfs/dbraw/zinc/20/95/95/572209595.db2.gz FWNLMXNGAWUTBV-UHFFFAOYSA-N -1 3 502.163 4.572 40 0 KJABHM CCOC(=O)c1cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)ccc1Cl ZINC000408541942 572209693 /nfs/dbraw/zinc/20/96/93/572209693.db2.gz GRYUHVCEPUPAOT-UHFFFAOYSA-N -1 3 525.812 4.511 40 0 KJABHM Cc1cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)ccc1Br ZINC000408542212 572210079 /nfs/dbraw/zinc/21/00/79/572210079.db2.gz IFVMJOVCVGCWLH-UHFFFAOYSA-N -1 3 512.227 4.752 40 0 KJABHM Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000408542548 572210597 /nfs/dbraw/zinc/21/05/97/572210597.db2.gz KBYNDDNQSCUZJH-UHFFFAOYSA-N -1 3 512.227 4.752 40 0 KJABHM CCCOC(=O)c1cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)ccc1Cl ZINC000408542811 572211046 /nfs/dbraw/zinc/21/10/46/572211046.db2.gz LFKZBZHUEXUHNI-UHFFFAOYSA-N -1 3 539.839 4.901 40 0 KJABHM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)cc2)cc1 ZINC000408542918 572211533 /nfs/dbraw/zinc/21/15/33/572211533.db2.gz BFUQTUCAECAOOB-UHFFFAOYSA-N -1 3 565.673 4.882 40 0 KJABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(N4CCOCC4)cc3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408542969 572211749 /nfs/dbraw/zinc/21/17/49/572211749.db2.gz MACPYBHGXIMBJP-UHFFFAOYSA-N -1 3 515.639 4.824 40 0 KJABHM Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000408543216 572212197 /nfs/dbraw/zinc/21/21/97/572212197.db2.gz NRMMTJAGEUGQQD-UHFFFAOYSA-N -1 3 503.300 4.580 40 0 KJABHM CCn1c2ccc(NC(=O)CSc3nnc(-c4ccccc4[O-])n3-c3ccccc3)cc2n(CC)c1=O ZINC000408543330 572212205 /nfs/dbraw/zinc/21/22/05/572212205.db2.gz OAHLNPIAHHTTTC-UHFFFAOYSA-N -1 3 514.611 4.527 40 0 KJABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408543389 572212770 /nfs/dbraw/zinc/21/27/70/572212770.db2.gz OQELJVHTWOSIRE-UHFFFAOYSA-N -1 3 593.507 4.940 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)cc1 ZINC000408543798 572213793 /nfs/dbraw/zinc/21/37/93/572213793.db2.gz QRXOCVUYBIZXCL-UHFFFAOYSA-N -1 3 505.394 4.628 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1 ZINC000408543798 572213790 /nfs/dbraw/zinc/21/37/90/572213790.db2.gz QRXOCVUYBIZXCL-UHFFFAOYSA-N -1 3 505.394 4.628 40 0 KJABHM O=C1c2ccccc2C(=O)N1CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1 ZINC000408543852 572213680 /nfs/dbraw/zinc/21/36/80/572213680.db2.gz RWTSGRCFIQACIU-UHFFFAOYSA-N -1 3 507.369 4.748 40 0 KJABHM Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000408543960 572214158 /nfs/dbraw/zinc/21/41/58/572214158.db2.gz RAVGHKMXBJNCPV-UHFFFAOYSA-N -1 3 573.254 4.902 40 0 KJABHM Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000408544307 572215320 /nfs/dbraw/zinc/21/53/20/572215320.db2.gz VHGVABFOCOQLOG-UHFFFAOYSA-N -1 3 559.227 4.594 40 0 KJABHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408544315 572215313 /nfs/dbraw/zinc/21/53/13/572215313.db2.gz GDKLSLVHKJLEPH-UHFFFAOYSA-N -1 3 511.423 4.526 40 0 KJABHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408544315 572215311 /nfs/dbraw/zinc/21/53/11/572215311.db2.gz GDKLSLVHKJLEPH-UHFFFAOYSA-N -1 3 511.423 4.526 40 0 KJABHM CCCOC(=O)c1cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)ccc1Cl ZINC000408544325 572215228 /nfs/dbraw/zinc/21/52/28/572215228.db2.gz GMIACVXILRBXQC-UHFFFAOYSA-N -1 3 525.812 4.891 40 0 KJABHM CCCOC(=O)c1cc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)ccc1Cl ZINC000408544325 572215224 /nfs/dbraw/zinc/21/52/24/572215224.db2.gz GMIACVXILRBXQC-UHFFFAOYSA-N -1 3 525.812 4.891 40 0 KJABHM Cc1cc(I)ccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408544336 572215358 /nfs/dbraw/zinc/21/53/58/572215358.db2.gz GSJIYRMLVKASLX-UHFFFAOYSA-N -1 3 545.200 4.584 40 0 KJABHM Cc1cc(I)ccc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408544336 572215355 /nfs/dbraw/zinc/21/53/55/572215355.db2.gz GSJIYRMLVKASLX-UHFFFAOYSA-N -1 3 545.200 4.584 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408544610 572216346 /nfs/dbraw/zinc/21/63/46/572216346.db2.gz IANVQPUQHYSBNA-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408544611 572216476 /nfs/dbraw/zinc/21/64/76/572216476.db2.gz IANVQPUQHYSBNA-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3N3CCOCC3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408544633 572216401 /nfs/dbraw/zinc/21/64/01/572216401.db2.gz WBJHNVAPESEEMQ-UHFFFAOYSA-N -1 3 515.639 4.824 40 0 KJABHM Cc1cc(I)cc(C)c1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408544766 572216749 /nfs/dbraw/zinc/21/67/49/572216749.db2.gz XOOHVRNVJFPZDL-UHFFFAOYSA-N -1 3 559.227 4.892 40 0 KJABHM Cc1cc(I)cc(C)c1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408544766 572216748 /nfs/dbraw/zinc/21/67/48/572216748.db2.gz XOOHVRNVJFPZDL-UHFFFAOYSA-N -1 3 559.227 4.892 40 0 KJABHM Cc1nnc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccc(C)cc2C)s1 ZINC000408544984 572217206 /nfs/dbraw/zinc/21/72/06/572217206.db2.gz KSUJULMZQBCMCI-UHFFFAOYSA-N -1 3 531.461 4.910 40 0 KJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000408544986 572217225 /nfs/dbraw/zinc/21/72/25/572217225.db2.gz KTHXEQKJRAZNOP-UHFFFAOYSA-N -1 3 558.380 4.526 40 0 KJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000408544986 572217221 /nfs/dbraw/zinc/21/72/21/572217221.db2.gz KTHXEQKJRAZNOP-UHFFFAOYSA-N -1 3 558.380 4.526 40 0 KJABHM CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000408545137 572217715 /nfs/dbraw/zinc/21/77/15/572217715.db2.gz YYGILRRSOJBWFK-UHFFFAOYSA-N -1 3 552.882 4.654 40 0 KJABHM COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccc(C)cc2C)c1 ZINC000408545192 572217956 /nfs/dbraw/zinc/21/79/56/572217956.db2.gz ZMXZDWJQVDKCLC-UHFFFAOYSA-N -1 3 546.605 4.561 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408545291 572218392 /nfs/dbraw/zinc/21/83/92/572218392.db2.gz KAOOFXPCCDMGCK-UHFFFAOYSA-N -1 3 609.726 4.870 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)cc1 ZINC000408545315 572218526 /nfs/dbraw/zinc/21/85/26/572218526.db2.gz XSTFBKTUGAJULU-UHFFFAOYSA-N -1 3 519.421 4.638 40 0 KJABHM Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1cc(Br)ccc1[O-] ZINC000408545460 572219061 /nfs/dbraw/zinc/21/90/61/572219061.db2.gz YXZWHFHPGFLZQB-UHFFFAOYSA-N -1 3 516.190 4.583 40 0 KJABHM Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nnc1-c1cc(Br)ccc1[O-] ZINC000408545471 572219031 /nfs/dbraw/zinc/21/90/31/572219031.db2.gz ZBLCUCNRHSDSIQ-UHFFFAOYSA-N -1 3 572.407 4.536 40 0 KJABHM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000408545636 572220110 /nfs/dbraw/zinc/22/01/10/572220110.db2.gz YQVHQOBKXLPOQF-UHFFFAOYSA-N -1 3 613.689 4.868 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(F)c(Cl)c1 ZINC000408545821 572221061 /nfs/dbraw/zinc/22/10/61/572221061.db2.gz OSKKCUTZCYXLNX-UHFFFAOYSA-N -1 3 580.874 4.991 40 0 KJABHM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)cc2)cc1OC ZINC000408546064 572221549 /nfs/dbraw/zinc/22/15/49/572221549.db2.gz QBLKHJPJUNEHBH-UHFFFAOYSA-N -1 3 599.662 4.721 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408546582 572223648 /nfs/dbraw/zinc/22/36/48/572223648.db2.gz UPJHTFCOYUZRBZ-GOSISDBHSA-N -1 3 536.075 4.551 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408546584 572223695 /nfs/dbraw/zinc/22/36/95/572223695.db2.gz UPJHTFCOYUZRBZ-SFHVURJKSA-N -1 3 536.075 4.551 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000408546786 572224002 /nfs/dbraw/zinc/22/40/02/572224002.db2.gz VUTFZMIWXBONNX-UHFFFAOYSA-N -1 3 580.874 4.991 40 0 KJABHM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000408547376 572225619 /nfs/dbraw/zinc/22/56/19/572225619.db2.gz IYGGCIRTWYFSRB-GOSISDBHSA-N -1 3 536.075 4.551 40 0 KJABHM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000408547378 572225532 /nfs/dbraw/zinc/22/55/32/572225532.db2.gz IYGGCIRTWYFSRB-SFHVURJKSA-N -1 3 536.075 4.551 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000408547406 572225689 /nfs/dbraw/zinc/22/56/89/572225689.db2.gz JHJYKEJRCWBIRF-UHFFFAOYSA-N -1 3 595.699 4.972 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408547420 572225715 /nfs/dbraw/zinc/22/57/15/572225715.db2.gz JJHPDHFALKJNSR-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408547422 572225771 /nfs/dbraw/zinc/22/57/71/572225771.db2.gz JJHPDHFALKJNSR-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1 ZINC000408547449 572225701 /nfs/dbraw/zinc/22/57/01/572225701.db2.gz JOOZIXWUHCAPFZ-UHFFFAOYSA-N -1 3 611.698 4.591 40 0 KJABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000408547619 572226349 /nfs/dbraw/zinc/22/63/49/572226349.db2.gz KDDJHVFMPZZIMR-UHFFFAOYSA-N -1 3 583.663 4.610 40 0 KJABHM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1C ZINC000408548495 572229629 /nfs/dbraw/zinc/22/96/29/572229629.db2.gz SRWZHAAJJMPBJO-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1C ZINC000408548496 572229458 /nfs/dbraw/zinc/22/94/58/572229458.db2.gz SRWZHAAJJMPBJO-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000408549347 572231575 /nfs/dbraw/zinc/23/15/75/572231575.db2.gz XXURERNCAVGUSH-UHFFFAOYSA-N -1 3 553.637 4.769 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)cc1Cl ZINC000408550199 572233386 /nfs/dbraw/zinc/23/33/86/572233386.db2.gz BGFLPGLBTNWYHV-UHFFFAOYSA-N -1 3 525.808 4.929 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1Cl ZINC000408550458 572234198 /nfs/dbraw/zinc/23/41/98/572234198.db2.gz CJSKEYBEGWRJBP-UHFFFAOYSA-N -1 3 572.808 4.772 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccc(I)cc1 ZINC000408550511 572234335 /nfs/dbraw/zinc/23/43/35/572234335.db2.gz DAUPAZGFHVCKRL-UHFFFAOYSA-N -1 3 587.233 4.872 40 0 KJABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408551019 572235392 /nfs/dbraw/zinc/23/53/92/572235392.db2.gz GSXYVGPFSSKVHQ-UHFFFAOYSA-N -1 3 522.501 4.700 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NCc1ccc(Cl)cc1 ZINC000408551342 572236090 /nfs/dbraw/zinc/23/60/90/572236090.db2.gz HKIAVNFMKBEKPZ-UHFFFAOYSA-N -1 3 509.809 4.599 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1Cl ZINC000408551429 572236138 /nfs/dbraw/zinc/23/61/38/572236138.db2.gz HUXZMHMWAHYGRF-UHFFFAOYSA-N -1 3 525.808 4.929 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)cc1Cl ZINC000408554536 572241955 /nfs/dbraw/zinc/24/19/55/572241955.db2.gz TZLVDTGCQWNIBZ-UHFFFAOYSA-N -1 3 525.808 4.929 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NCc1ccccc1Cl ZINC000408555367 572242727 /nfs/dbraw/zinc/24/27/27/572242727.db2.gz WULMCENJPGIGFU-UHFFFAOYSA-N -1 3 509.809 4.599 40 0 KJABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(OC)c1 ZINC000408555418 572242788 /nfs/dbraw/zinc/24/27/88/572242788.db2.gz ASWMDVAOKISWKW-UHFFFAOYSA-N -1 3 510.490 4.541 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408555934 572243504 /nfs/dbraw/zinc/24/35/04/572243504.db2.gz BINGFQKTGXTMDO-UHFFFAOYSA-N -1 3 553.990 4.887 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1Cl ZINC000408555962 572243546 /nfs/dbraw/zinc/24/35/46/572243546.db2.gz BKXLNBSJVKWZEC-UHFFFAOYSA-N -1 3 511.383 4.829 40 0 KJABHM COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408556874 572244256 /nfs/dbraw/zinc/24/42/56/572244256.db2.gz FCYVCFNDZFKNQQ-UHFFFAOYSA-N -1 3 510.490 4.541 40 0 KJABHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408556875 572244321 /nfs/dbraw/zinc/24/43/21/572244321.db2.gz FDAPGCDXJCHABT-UHFFFAOYSA-N -1 3 509.367 4.826 40 0 KJABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OC ZINC000408556898 572244340 /nfs/dbraw/zinc/24/43/40/572244340.db2.gz FGEWYZBCDOINRB-UHFFFAOYSA-N -1 3 510.490 4.541 40 0 KJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408556992 572244503 /nfs/dbraw/zinc/24/45/03/572244503.db2.gz FQRWBQPKQVZFKQ-UHFFFAOYSA-N -1 3 505.390 4.666 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)cc1Cl ZINC000408558064 572245612 /nfs/dbraw/zinc/24/56/12/572245612.db2.gz IIPMBROSOHOPJA-UHFFFAOYSA-N -1 3 564.491 4.839 40 0 KJABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1Cl ZINC000408559038 572246257 /nfs/dbraw/zinc/24/62/57/572246257.db2.gz KYGMEJSQZUVWDG-UHFFFAOYSA-N -1 3 525.808 4.929 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000408559457 572246719 /nfs/dbraw/zinc/24/67/19/572246719.db2.gz VOVRSTKSMHJZHD-UHFFFAOYSA-N -1 3 534.465 4.517 40 0 KJABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000408559933 572247283 /nfs/dbraw/zinc/24/72/83/572247283.db2.gz NNFGXHBHHKNHKW-UHFFFAOYSA-N -1 3 507.431 4.989 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3OC)cc2)cc1Cl ZINC000408560373 572247517 /nfs/dbraw/zinc/24/75/17/572247517.db2.gz OUAJQIBZPCNYJJ-UHFFFAOYSA-N -1 3 511.383 4.829 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408560701 572247795 /nfs/dbraw/zinc/24/77/95/572247795.db2.gz PMQZSBMTPOSXPH-UHFFFAOYSA-N -1 3 564.889 4.631 40 0 KJABHM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)CC1 ZINC000408560756 572247861 /nfs/dbraw/zinc/24/78/61/572247861.db2.gz PVTFMMFVPUYJQR-UHFFFAOYSA-N -1 3 578.916 4.939 40 0 KJABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408560880 572247830 /nfs/dbraw/zinc/24/78/30/572247830.db2.gz QNPVXDHXCRUKPL-UHFFFAOYSA-N -1 3 505.390 4.584 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1ccc(I)cc1 ZINC000408560891 572247737 /nfs/dbraw/zinc/24/77/37/572247737.db2.gz FLWWMHLXQYSJQQ-UHFFFAOYSA-N -1 3 560.772 4.902 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)cc1Cl ZINC000408561245 572248114 /nfs/dbraw/zinc/24/81/14/572248114.db2.gz RMINLZMDARXIMY-UHFFFAOYSA-N -1 3 550.464 4.530 40 0 KJABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408561821 572248425 /nfs/dbraw/zinc/24/84/25/572248425.db2.gz VQIHKSHMPGTOPO-UHFFFAOYSA-N -1 3 507.431 4.989 40 0 KJABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408561887 572248362 /nfs/dbraw/zinc/24/83/62/572248362.db2.gz WNKPJYWLYMUMBE-UHFFFAOYSA-N -1 3 525.808 4.929 40 0 KJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408562207 572248638 /nfs/dbraw/zinc/24/86/38/572248638.db2.gz YBWRCIUQLSTEGX-UHFFFAOYSA-N -1 3 505.390 4.666 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000408562281 572248704 /nfs/dbraw/zinc/24/87/04/572248704.db2.gz YQQQFRXOJBRUQR-UHFFFAOYSA-N -1 3 534.465 4.517 40 0 KJABHM C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408582581 572264942 /nfs/dbraw/zinc/26/49/42/572264942.db2.gz DKJIQVKCDSHXKB-GOSISDBHSA-N -1 3 517.445 4.766 40 0 KJABHM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408582583 572264991 /nfs/dbraw/zinc/26/49/91/572264991.db2.gz DKJIQVKCDSHXKB-SFHVURJKSA-N -1 3 517.445 4.766 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000408584517 572265796 /nfs/dbraw/zinc/26/57/96/572265796.db2.gz QSOAFDDTWVQMEB-UHFFFAOYSA-N -1 3 502.592 4.781 40 0 KJABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1 ZINC000408584637 572265878 /nfs/dbraw/zinc/26/58/78/572265878.db2.gz SHPJUPLKQQAWGZ-UHFFFAOYSA-N -1 3 502.976 4.643 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2)cc1 ZINC000408584913 572265977 /nfs/dbraw/zinc/26/59/77/572265977.db2.gz WMWURSFVSMXIAK-UHFFFAOYSA-N -1 3 526.611 4.861 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1Cl ZINC000408584922 572265953 /nfs/dbraw/zinc/26/59/53/572265953.db2.gz WOYVVAXLLZABEV-GOSISDBHSA-N -1 3 503.020 4.666 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1Cl ZINC000408584923 572265941 /nfs/dbraw/zinc/26/59/41/572265941.db2.gz WOYVVAXLLZABEV-SFHVURJKSA-N -1 3 503.020 4.666 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000408585306 572266017 /nfs/dbraw/zinc/26/60/17/572266017.db2.gz YPWOFCVOWJLVNK-UHFFFAOYSA-N -1 3 500.548 4.601 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408586957 572266432 /nfs/dbraw/zinc/26/64/32/572266432.db2.gz AIPIEWRJVDOEAO-UHFFFAOYSA-N -1 3 598.441 4.996 40 0 KJABHM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)CC2)c1C ZINC000408587796 572266658 /nfs/dbraw/zinc/26/66/58/572266658.db2.gz CGDNYVRSRFKITB-UHFFFAOYSA-N -1 3 547.599 4.851 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408588555 572266961 /nfs/dbraw/zinc/26/69/61/572266961.db2.gz DCOKEKXJUIFLBQ-QPJJXVBHSA-N -1 3 544.048 4.516 40 0 KJABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(OC)cc1Cl ZINC000408589326 572267089 /nfs/dbraw/zinc/26/70/89/572267089.db2.gz FAOFMLYZRRPGSM-UHFFFAOYSA-N -1 3 504.992 4.792 40 0 KJABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408589358 572267222 /nfs/dbraw/zinc/26/72/22/572267222.db2.gz HEPITQFGBYCQHM-UHFFFAOYSA-N -1 3 502.976 4.643 40 0 KJABHM CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408589802 572267352 /nfs/dbraw/zinc/26/73/52/572267352.db2.gz FPJVBANWPVQEDX-NRFANRHFSA-N -1 3 521.422 4.698 40 0 KJABHM CCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408589804 572267376 /nfs/dbraw/zinc/26/73/76/572267376.db2.gz FPJVBANWPVQEDX-OAQYLSRUSA-N -1 3 521.422 4.698 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(Cl)c2)cc1 ZINC000408589877 572267493 /nfs/dbraw/zinc/26/74/93/572267493.db2.gz GGQHDEPNKBYDGX-UHFFFAOYSA-N -1 3 528.074 4.794 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408589909 572267459 /nfs/dbraw/zinc/26/74/59/572267459.db2.gz GJOSFDZEEWUZHP-UHFFFAOYSA-N -1 3 553.990 4.887 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)c1 ZINC000408589965 572267473 /nfs/dbraw/zinc/26/74/73/572267473.db2.gz GMPICJSJLPGROY-UHFFFAOYSA-N -1 3 547.599 4.851 40 0 KJABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c(OC)cc1Cl ZINC000408590078 572267588 /nfs/dbraw/zinc/26/75/88/572267588.db2.gz GXLBUBRSFDZURB-UHFFFAOYSA-N -1 3 529.373 4.968 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)c1 ZINC000408590466 572267781 /nfs/dbraw/zinc/26/77/81/572267781.db2.gz HISKDSNFPXHQPF-UHFFFAOYSA-N -1 3 547.599 4.851 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(OC)c(Cl)cc3OC)cc2)cc1 ZINC000408590551 572267807 /nfs/dbraw/zinc/26/78/07/572267807.db2.gz HUUWUJQQQABQHT-UHFFFAOYSA-N -1 3 520.991 4.574 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(OC)c(Cl)cc3OC)cc2)cc1Cl ZINC000408590559 572267855 /nfs/dbraw/zinc/26/78/55/572267855.db2.gz HVGZABYDXKCTRQ-UHFFFAOYSA-N -1 3 541.409 4.838 40 0 KJABHM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)CC1 ZINC000408590757 572267915 /nfs/dbraw/zinc/26/79/15/572267915.db2.gz KVNSXKIQHYBGDO-UHFFFAOYSA-N -1 3 552.455 4.969 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1Cl ZINC000408591707 572268335 /nfs/dbraw/zinc/26/83/35/572268335.db2.gz JZMDSWBTJNUYHF-UHFFFAOYSA-N -1 3 584.016 4.896 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2)cc1 ZINC000408593120 572268948 /nfs/dbraw/zinc/26/89/48/572268948.db2.gz MPEYGYXJLMJXII-UHFFFAOYSA-N -1 3 547.599 4.851 40 0 KJABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c(OC)cc1Cl ZINC000408593856 572269447 /nfs/dbraw/zinc/26/94/47/572269447.db2.gz OOVQJDFZLFFJSM-UHFFFAOYSA-N -1 3 504.992 4.792 40 0 KJABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(OC)cc1Cl ZINC000408594289 572269647 /nfs/dbraw/zinc/26/96/47/572269647.db2.gz POKWNUIAAKOGBD-UHFFFAOYSA-N -1 3 511.383 4.829 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000408594321 572269655 /nfs/dbraw/zinc/26/96/55/572269655.db2.gz OKUZINIDSIUQLA-VMPITWQZSA-N -1 3 503.668 4.586 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(Cl)c2)cc1 ZINC000408594733 572269877 /nfs/dbraw/zinc/26/98/77/572269877.db2.gz QLLIHVRVZQTIAY-UHFFFAOYSA-N -1 3 534.465 4.830 40 0 KJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)c1 ZINC000408594992 572270071 /nfs/dbraw/zinc/27/00/71/572270071.db2.gz RNNATWCKTYHSQY-UHFFFAOYSA-N -1 3 533.572 4.542 40 0 KJABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)c(OC)cc1Cl ZINC000408595581 572270468 /nfs/dbraw/zinc/27/04/68/572270468.db2.gz SHHRNTKEIBNFNX-UHFFFAOYSA-N -1 3 504.992 4.792 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408595835 572270513 /nfs/dbraw/zinc/27/05/13/572270513.db2.gz VBXUOFNLAKCERZ-UHFFFAOYSA-N -1 3 538.428 4.661 40 0 KJABHM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)CC2)c1C ZINC000408596335 572270834 /nfs/dbraw/zinc/27/08/34/572270834.db2.gz UHVYHTMLOYAZLX-UHFFFAOYSA-N -1 3 558.498 4.594 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408597047 572271367 /nfs/dbraw/zinc/27/13/67/572271367.db2.gz VXUHAUHZSORWHW-VMPITWQZSA-N -1 3 559.610 4.743 40 0 KJABHM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3Cl)CC2)c1C ZINC000408597057 572271428 /nfs/dbraw/zinc/27/14/28/572271428.db2.gz WAKHEPRUROXOOK-UHFFFAOYSA-N -1 3 532.037 4.624 40 0 KJABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c(OC)cc1Cl ZINC000408597060 572271415 /nfs/dbraw/zinc/27/14/15/572271415.db2.gz WCDCDTSRPGLGAS-UHFFFAOYSA-N -1 3 555.834 4.938 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000408597458 572271534 /nfs/dbraw/zinc/27/15/34/572271534.db2.gz WMGRHRSPXDLVIY-VMPITWQZSA-N -1 3 540.085 4.686 40 0 KJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000408597472 572271542 /nfs/dbraw/zinc/27/15/42/572271542.db2.gz WULXDPZFUDAOBB-UHFFFAOYSA-N -1 3 533.572 4.542 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1 ZINC000408597486 572271682 /nfs/dbraw/zinc/27/16/82/572271682.db2.gz WYISMTNABBSUEB-UHFFFAOYSA-N -1 3 563.598 4.633 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1C ZINC000408598075 572271939 /nfs/dbraw/zinc/27/19/39/572271939.db2.gz ZKXUAMRNLVDJKT-UHFFFAOYSA-N -1 3 547.599 4.851 40 0 KJABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c(OC)cc1Cl ZINC000408598105 572271913 /nfs/dbraw/zinc/27/19/13/572271913.db2.gz ZVLYWHUIZQYAGY-UHFFFAOYSA-N -1 3 504.992 4.792 40 0 KJABHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000408601089 572272751 /nfs/dbraw/zinc/27/27/51/572272751.db2.gz FEDLJVDFRQBGRS-IBGZPJMESA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000408601090 572272803 /nfs/dbraw/zinc/27/28/03/572272803.db2.gz FEDLJVDFRQBGRS-LJQANCHMSA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408601221 572272801 /nfs/dbraw/zinc/27/28/01/572272801.db2.gz ANAXEHHEOFFCGG-AWEZNQCLSA-N -1 3 507.395 4.539 40 0 KJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408601223 572272842 /nfs/dbraw/zinc/27/28/42/572272842.db2.gz ANAXEHHEOFFCGG-CQSZACIVSA-N -1 3 507.395 4.539 40 0 KJABHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000408601336 572272840 /nfs/dbraw/zinc/27/28/40/572272840.db2.gz FTCVJALJIBLRCC-FQEVSTJZSA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000408601337 572272799 /nfs/dbraw/zinc/27/27/99/572272799.db2.gz FTCVJALJIBLRCC-HXUWFJFHSA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408601347 572272761 /nfs/dbraw/zinc/27/27/61/572272761.db2.gz FUKOYUKGNUZLJC-FQEVSTJZSA-N -1 3 509.411 4.539 40 0 KJABHM COc1ccc(OC)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408601348 572272819 /nfs/dbraw/zinc/27/28/19/572272819.db2.gz FUKOYUKGNUZLJC-HXUWFJFHSA-N -1 3 509.411 4.539 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)cc1Cl ZINC000408604938 572274252 /nfs/dbraw/zinc/27/42/52/572274252.db2.gz MFNPISVZVSZXDL-UHFFFAOYSA-N -1 3 534.465 4.830 40 0 KJABHM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)c1 ZINC000408606298 572274801 /nfs/dbraw/zinc/27/48/01/572274801.db2.gz OPUUHIJIYHJGAA-UHFFFAOYSA-N -1 3 571.699 4.809 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1Cl ZINC000408607827 572275267 /nfs/dbraw/zinc/27/52/67/572275267.db2.gz QNHABROUTMXFSP-VMPITWQZSA-N -1 3 540.085 4.686 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cc1Cl ZINC000408609309 572275761 /nfs/dbraw/zinc/27/57/61/572275761.db2.gz SMUXQEXVYTZHKL-UHFFFAOYSA-N -1 3 528.074 4.794 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000408611382 572276523 /nfs/dbraw/zinc/27/65/23/572276523.db2.gz WUZWBCPEFYBTAN-UHFFFAOYSA-N -1 3 568.017 4.883 40 0 KJABHM COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c1)CN(C)CC2 ZINC000408613217 572277141 /nfs/dbraw/zinc/27/71/41/572277141.db2.gz VVSPCLPBXZPGDJ-UHFFFAOYSA-N -1 3 527.668 4.501 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408616775 572278976 /nfs/dbraw/zinc/27/89/76/572278976.db2.gz AYQSKQKNDDXKDD-UHFFFAOYSA-N -1 3 509.411 4.888 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(NC(C)=O)c3)c(Cl)c2)cc1 ZINC000408617048 572279216 /nfs/dbraw/zinc/27/92/16/572279216.db2.gz CCRMAHQGEWFNBW-UHFFFAOYSA-N -1 3 517.991 4.515 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2C)c(C)c1 ZINC000408617223 572279283 /nfs/dbraw/zinc/27/92/83/572279283.db2.gz CEURHSOMKUWWHY-JXMROGBWSA-N -1 3 503.668 4.884 40 0 KJABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2Cl)cc1 ZINC000408617860 572279744 /nfs/dbraw/zinc/27/97/44/572279744.db2.gz DRIHONBSFFCEKG-UHFFFAOYSA-N -1 3 533.002 4.734 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(NC(C)=O)cc3)c(Cl)c2)cc1 ZINC000408618372 572280095 /nfs/dbraw/zinc/28/00/95/572280095.db2.gz FYFMVVXHGHGKEV-UHFFFAOYSA-N -1 3 517.991 4.515 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408618422 572280032 /nfs/dbraw/zinc/28/00/32/572280032.db2.gz GGPGBGBKHFBSBX-UHFFFAOYSA-N -1 3 509.411 4.888 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(C)=O)c3)c(Cl)c2)cc1 ZINC000408620267 572281022 /nfs/dbraw/zinc/28/10/22/572281022.db2.gz IZNQOIMGKFTPJD-UHFFFAOYSA-N -1 3 502.976 4.760 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(Cl)c2)cc1 ZINC000408635430 572292405 /nfs/dbraw/zinc/29/24/05/572292405.db2.gz BCIUWBNNIGYYRM-UHFFFAOYSA-N -1 3 564.491 4.839 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)c(Cl)c2)cc1 ZINC000408635506 572292607 /nfs/dbraw/zinc/29/26/07/572292607.db2.gz CPDAQOJWOPVPRN-UHFFFAOYSA-N -1 3 525.808 4.929 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OCC)cc3)c(Cl)c2)cc1 ZINC000408635646 572292738 /nfs/dbraw/zinc/29/27/38/572292738.db2.gz GNBRXLUVRLWUPS-UHFFFAOYSA-N -1 3 504.992 4.956 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(Cl)c2)cc1 ZINC000408635661 572292736 /nfs/dbraw/zinc/29/27/36/572292736.db2.gz GWMCWIITIHFNFA-UHFFFAOYSA-N -1 3 564.491 4.921 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3OCC)c(Cl)c2)cc1 ZINC000408635669 572292758 /nfs/dbraw/zinc/29/27/58/572292758.db2.gz GYQANGUREXLDRR-UHFFFAOYSA-N -1 3 504.992 4.956 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)c(OC)c3)c(Cl)c2)cc1 ZINC000408635757 572292760 /nfs/dbraw/zinc/29/27/60/572292760.db2.gz INGDPIOCKILURK-UHFFFAOYSA-N -1 3 520.991 4.574 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(OC)ccc3OC)c(Cl)c2)cc1 ZINC000408635956 572292915 /nfs/dbraw/zinc/29/29/15/572292915.db2.gz KJNRNBQXLXRTLA-UHFFFAOYSA-N -1 3 520.991 4.574 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3OC)c(Cl)c2)cc1 ZINC000408636239 572293199 /nfs/dbraw/zinc/29/31/99/572293199.db2.gz MIPSBQOXXSFZBE-UHFFFAOYSA-N -1 3 511.383 4.829 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3OC)c(Cl)c2)cc1 ZINC000408636256 572293223 /nfs/dbraw/zinc/29/32/23/572293223.db2.gz MWWVQHDATQGNEA-UHFFFAOYSA-N -1 3 504.992 4.874 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000408636301 572293195 /nfs/dbraw/zinc/29/31/95/572293195.db2.gz NTDSDOPURCLVLP-UHFFFAOYSA-N -1 3 525.808 4.929 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)c(Cl)c2)cc1 ZINC000408636377 572293312 /nfs/dbraw/zinc/29/33/12/572293312.db2.gz PEOCINHJKGNWAV-UHFFFAOYSA-N -1 3 572.808 4.772 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3OC)c(Cl)c2)cc1 ZINC000408636378 572293324 /nfs/dbraw/zinc/29/33/24/572293324.db2.gz PEOJPCPLEKHBIJ-UHFFFAOYSA-N -1 3 520.991 4.574 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)c(Cl)c2)cc1 ZINC000408636419 572293329 /nfs/dbraw/zinc/29/33/29/572293329.db2.gz QENIKINUGHGDKB-GOSISDBHSA-N -1 3 503.020 4.666 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c(Cl)c2)cc1 ZINC000408636420 572293254 /nfs/dbraw/zinc/29/32/54/572293254.db2.gz QENIKINUGHGDKB-SFHVURJKSA-N -1 3 503.020 4.666 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(OC)c(Cl)cc3OC)c(Cl)c2)cc1 ZINC000408636646 572293537 /nfs/dbraw/zinc/29/35/37/572293537.db2.gz SATREXXKAXCHFK-UHFFFAOYSA-N -1 3 541.409 4.838 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)c(Cl)c3)c(Cl)c2)cc1 ZINC000408636648 572293523 /nfs/dbraw/zinc/29/35/23/572293523.db2.gz SAUQQUJWPLEIRU-UHFFFAOYSA-N -1 3 511.383 4.829 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(Cl)c2)cc1 ZINC000408636687 572293515 /nfs/dbraw/zinc/29/35/15/572293515.db2.gz SWDSQEUDBUISQZ-UHFFFAOYSA-N -1 3 550.464 4.530 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000408636699 572293560 /nfs/dbraw/zinc/29/35/60/572293560.db2.gz TVCKVIFOGBHLAY-UHFFFAOYSA-N -1 3 534.465 4.517 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)c(Cl)c2)cc1 ZINC000408636728 572293645 /nfs/dbraw/zinc/29/36/45/572293645.db2.gz UITCNSIBODPPPD-UHFFFAOYSA-N -1 3 525.808 4.929 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)c(Cl)c2)cc1 ZINC000408636865 572293846 /nfs/dbraw/zinc/29/38/46/572293846.db2.gz VDPSQCOOUVTRLX-UHFFFAOYSA-N -1 3 501.004 4.503 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000408636888 572293810 /nfs/dbraw/zinc/29/38/10/572293810.db2.gz VOICCQSPYGETPK-RMKNXTFCSA-N -1 3 570.111 4.776 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(Cl)c2)cc1 ZINC000408636907 572293813 /nfs/dbraw/zinc/29/38/13/572293813.db2.gz VWEQZRJMUDOWDZ-UHFFFAOYSA-N -1 3 584.016 4.896 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(Cl)c2)cc1 ZINC000408637291 572294308 /nfs/dbraw/zinc/29/43/08/572294308.db2.gz ZQDDOQNZSUOTMM-UHFFFAOYSA-N -1 3 558.100 4.884 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)c2)cc1C ZINC000408674551 572317445 /nfs/dbraw/zinc/31/74/45/572317445.db2.gz AGXOPLHDXYEYPS-UHFFFAOYSA-N -1 3 528.074 4.794 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)c(C)c2)cc1 ZINC000408674589 572317374 /nfs/dbraw/zinc/31/73/74/572317374.db2.gz BRSQKGRWASVOEZ-UHFFFAOYSA-N -1 3 519.417 4.975 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)c(C)c2)cc1 ZINC000408674619 572317436 /nfs/dbraw/zinc/31/74/36/572317436.db2.gz CQXPQWCETLLOQQ-UHFFFAOYSA-N -1 3 505.390 4.584 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)c(C)c2)cc1 ZINC000408674634 572317389 /nfs/dbraw/zinc/31/73/89/572317389.db2.gz DEYGAXAXMNNCMQ-UHFFFAOYSA-N -1 3 519.417 4.975 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3F)c(C)c2)cc1 ZINC000408674692 572317452 /nfs/dbraw/zinc/31/74/52/572317452.db2.gz FZCBJKRVBHDIQS-UHFFFAOYSA-N -1 3 523.380 4.724 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)c(C)c2)cc1 ZINC000408674788 572317654 /nfs/dbraw/zinc/31/76/54/572317654.db2.gz CORPMLNQBKSENF-UHFFFAOYSA-N -1 3 509.411 4.806 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3OC)c(C)c2)cc1 ZINC000408674814 572317610 /nfs/dbraw/zinc/31/76/10/572317610.db2.gz IQPBCNJECDPNDM-UHFFFAOYSA-N -1 3 504.992 4.874 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(OC)c(Cl)cc3OC)c(C)c2)cc1 ZINC000408674867 572317587 /nfs/dbraw/zinc/31/75/87/572317587.db2.gz LBWATYWZXKSKAN-UHFFFAOYSA-N -1 3 535.018 4.883 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)c2)cc1 ZINC000408674926 572317519 /nfs/dbraw/zinc/31/75/19/572317519.db2.gz MRLQDPLBIGLJGK-UHFFFAOYSA-N -1 3 544.073 4.576 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)c(C)c2)cc1 ZINC000408674931 572317622 /nfs/dbraw/zinc/31/76/22/572317622.db2.gz MZISRNGFSALCMC-UHFFFAOYSA-N -1 3 508.640 4.665 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)c(C)c2)cc1 ZINC000408675079 572317771 /nfs/dbraw/zinc/31/77/71/572317771.db2.gz QVRREMBDDYSAOP-UHFFFAOYSA-N -1 3 505.390 4.584 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(C)c2)cc1C ZINC000408675090 572317789 /nfs/dbraw/zinc/31/77/89/572317789.db2.gz RHLDVGFBRYGFHB-JXMROGBWSA-N -1 3 533.694 4.649 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000408675119 572317710 /nfs/dbraw/zinc/31/77/10/572317710.db2.gz GNVBPQLMUGLEEU-UHFFFAOYSA-N -1 3 514.575 4.909 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2)cc1 ZINC000408675243 572317831 /nfs/dbraw/zinc/31/78/31/572317831.db2.gz SYWGXOSZVHSFJK-UHFFFAOYSA-N -1 3 563.598 4.551 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(C)c2)cc1 ZINC000408675265 572317887 /nfs/dbraw/zinc/31/78/87/572317887.db2.gz UQJCHNAWUMYSIX-UHFFFAOYSA-N -1 3 558.100 4.884 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2)cc1 ZINC000408675269 572317881 /nfs/dbraw/zinc/31/78/81/572317881.db2.gz USFZRMVCDMWHCE-UHFFFAOYSA-N -1 3 504.992 4.874 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(C)c2)cc1 ZINC000408675292 572317866 /nfs/dbraw/zinc/31/78/66/572317866.db2.gz UVZLDLUXBAGNBQ-UHFFFAOYSA-N -1 3 519.417 4.975 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408675336 572317897 /nfs/dbraw/zinc/31/78/97/572317897.db2.gz HSQLXDFCJMHRTI-UHFFFAOYSA-N -1 3 533.572 4.542 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)c2)cc1 ZINC000408675354 572317992 /nfs/dbraw/zinc/31/79/92/572317992.db2.gz WLUBNNGMXYJNCK-UHFFFAOYSA-N -1 3 577.625 4.941 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)c2)cc1C ZINC000408675382 572318071 /nfs/dbraw/zinc/31/80/71/572318071.db2.gz XFCOVYVKUQVZOL-UHFFFAOYSA-N -1 3 521.683 4.757 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)c(C)c2)cc1 ZINC000408675389 572318019 /nfs/dbraw/zinc/31/80/19/572318019.db2.gz XQYWFJXQOMUGHI-UHFFFAOYSA-N -1 3 566.417 4.817 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1F ZINC000408675392 572318037 /nfs/dbraw/zinc/31/80/37/572318037.db2.gz IFTIENSDHCFXOJ-UHFFFAOYSA-N -1 3 511.344 4.854 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)c2)cc1 ZINC000408675409 572318022 /nfs/dbraw/zinc/31/80/22/572318022.db2.gz YFFLSRLCCTWMNX-UHFFFAOYSA-N -1 3 537.682 4.539 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(C)c2)cc1 ZINC000408675414 572318099 /nfs/dbraw/zinc/31/80/99/572318099.db2.gz YKCDJNBZAIRTFX-UHFFFAOYSA-N -1 3 505.390 4.584 40 0 KJABHM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2C)cc1 ZINC000408675446 572317986 /nfs/dbraw/zinc/31/79/86/572317986.db2.gz ZLAQGRLOTDHHQU-UHFFFAOYSA-N -1 3 526.611 4.779 40 0 KJABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000408675851 572318413 /nfs/dbraw/zinc/31/84/13/572318413.db2.gz LHBUVBURZFCWFZ-UHFFFAOYSA-N -1 3 502.976 4.643 40 0 KJABHM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3C)CC2)c1C ZINC000408675860 572318402 /nfs/dbraw/zinc/31/84/02/572318402.db2.gz LJLQKCDUKOKCHM-UHFFFAOYSA-N -1 3 528.074 4.794 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(I)cc1 ZINC000408676260 572318509 /nfs/dbraw/zinc/31/85/09/572318509.db2.gz MRJOJMTXHSUCPG-UHFFFAOYSA-N -1 3 540.354 4.557 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408676323 572318608 /nfs/dbraw/zinc/31/86/08/572318608.db2.gz NBYFDJOCIWIZPN-UHFFFAOYSA-N -1 3 551.562 4.681 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1C ZINC000408677150 572318973 /nfs/dbraw/zinc/31/89/73/572318973.db2.gz APAWONFGBBDMHP-UHFFFAOYSA-N -1 3 550.102 4.943 40 0 KJABHM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)CC2)c1 ZINC000408677174 572318889 /nfs/dbraw/zinc/31/88/89/572318889.db2.gz ARXUZYYGXQXRGM-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)CC2)cc1 ZINC000408677281 572319018 /nfs/dbraw/zinc/31/90/18/572319018.db2.gz BESLSKHMFBDBBP-UHFFFAOYSA-N -1 3 573.762 4.866 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408677738 572319299 /nfs/dbraw/zinc/31/92/99/572319299.db2.gz RDGYBLIBIKEVLS-UHFFFAOYSA-N -1 3 534.465 4.830 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)cc2)cc1C ZINC000408678014 572319490 /nfs/dbraw/zinc/31/94/90/572319490.db2.gz DHEZDHIXAJGTKA-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)cc2)c(C)c1 ZINC000408678043 572319411 /nfs/dbraw/zinc/31/94/11/572319411.db2.gz DPLMGYFKLIUKSA-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(Cl)cc1 ZINC000408678111 572319552 /nfs/dbraw/zinc/31/95/52/572319552.db2.gz FRMRNCIVBGQNKT-UHFFFAOYSA-N -1 3 556.493 4.979 40 0 KJABHM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)CC2)cc1 ZINC000408678232 572319755 /nfs/dbraw/zinc/31/97/55/572319755.db2.gz DHGODONEDVTITG-UHFFFAOYSA-N -1 3 580.153 4.902 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)cc1 ZINC000408678283 572319764 /nfs/dbraw/zinc/31/97/64/572319764.db2.gz IFVLVYVRLTUFEX-UHFFFAOYSA-N -1 3 580.103 4.769 40 0 KJABHM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)CC2)cc1 ZINC000408678370 572319828 /nfs/dbraw/zinc/31/98/28/572319828.db2.gz GHEDILGXHGMXCT-UHFFFAOYSA-N -1 3 559.735 4.557 40 0 KJABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)c(OC)cc1Cl ZINC000408678511 572319841 /nfs/dbraw/zinc/31/98/41/572319841.db2.gz SKZUSPJOQADRAO-UHFFFAOYSA-N -1 3 508.955 4.623 40 0 KJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408678601 572319948 /nfs/dbraw/zinc/31/99/48/572319948.db2.gz TUIWVZLEOWUPTN-VMPITWQZSA-N -1 3 540.085 4.686 40 0 KJABHM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)CC2)cc1 ZINC000408678855 572320046 /nfs/dbraw/zinc/32/00/46/572320046.db2.gz IQPOGXHAVHVXEE-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000408678865 572319998 /nfs/dbraw/zinc/31/99/98/572319998.db2.gz ISKCROCBMQVIMF-UHFFFAOYSA-N -1 3 582.531 4.975 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000408679054 572320268 /nfs/dbraw/zinc/32/02/68/572320268.db2.gz HXYXQEGZUHBKJM-UHFFFAOYSA-N -1 3 582.531 4.975 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2)cc1 ZINC000408679129 572320305 /nfs/dbraw/zinc/32/03/05/572320305.db2.gz IOOMRYOYFSNKTC-UHFFFAOYSA-N -1 3 581.647 4.840 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(SC)cc4)CC3)cc2)cc1 ZINC000408679155 572320375 /nfs/dbraw/zinc/32/03/75/572320375.db2.gz ISUGQOZTZIOMRY-UHFFFAOYSA-N -1 3 589.761 4.647 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000408679610 572320580 /nfs/dbraw/zinc/32/05/80/572320580.db2.gz OOLOBZXJKSBRPI-UHFFFAOYSA-N -1 3 562.113 4.630 40 0 KJABHM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)CC2)c1 ZINC000408679641 572320592 /nfs/dbraw/zinc/32/05/92/572320592.db2.gz JBELXBWAJNSJKT-UHFFFAOYSA-N -1 3 562.113 4.630 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000408680222 572321008 /nfs/dbraw/zinc/32/10/08/572321008.db2.gz PYRZWBVTHNRSBO-UHFFFAOYSA-N -1 3 562.113 4.630 40 0 KJABHM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccccc1 ZINC000408680246 572321053 /nfs/dbraw/zinc/32/10/53/572321053.db2.gz QJSRBTUWFQSTBU-UHFFFAOYSA-N -1 3 556.493 4.979 40 0 KJABHM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)CC1 ZINC000408680440 572321139 /nfs/dbraw/zinc/32/11/39/572321139.db2.gz YZDLOYKUKNHIRM-UHFFFAOYSA-N -1 3 532.037 4.624 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2)cc1 ZINC000408680465 572321172 /nfs/dbraw/zinc/32/11/72/572321172.db2.gz MNUOLMMONPJDSQ-UHFFFAOYSA-N -1 3 551.621 4.749 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000408680539 572321204 /nfs/dbraw/zinc/32/12/04/572321204.db2.gz NCDAZHMFSCFJNF-UHFFFAOYSA-N -1 3 536.075 4.634 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000408680593 572321194 /nfs/dbraw/zinc/32/11/94/572321194.db2.gz NYNXZPNHJDODTD-UHFFFAOYSA-N -1 3 562.113 4.630 40 0 KJABHM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)CC2)cc1 ZINC000408680627 572321301 /nfs/dbraw/zinc/32/13/01/572321301.db2.gz OIWMHIPYKRMMIT-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408680996 1066528747 /nfs/dbraw/zinc/52/87/47/1066528747.db2.gz VJRYHXJJIWJBSH-UHFFFAOYSA-N -1 3 550.102 4.943 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000408681020 1066528766 /nfs/dbraw/zinc/52/87/66/1066528766.db2.gz VTQOEBHAUUQYFH-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000408681133 1066528440 /nfs/dbraw/zinc/52/84/40/1066528440.db2.gz PBABMUWRBZTDGV-UHFFFAOYSA-N -1 3 529.684 4.598 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000408681487 1066528492 /nfs/dbraw/zinc/52/84/92/1066528492.db2.gz WUSRFWTYBOBEOK-UHFFFAOYSA-N -1 3 592.139 4.720 40 0 KJABHM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)CC2)c1 ZINC000408681800 1066527383 /nfs/dbraw/zinc/52/73/83/1066527383.db2.gz ZJIPSHROZGMMCK-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)CC2)cc1 ZINC000408681888 1066527429 /nfs/dbraw/zinc/52/74/29/1066527429.db2.gz VDBUFLZNBPPRFF-UHFFFAOYSA-N -1 3 573.762 4.866 40 0 KJABHM Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000408681920 1066527511 /nfs/dbraw/zinc/52/75/11/1066527511.db2.gz WBRJXBFYWPTAQL-UHFFFAOYSA-N -1 3 529.684 4.598 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)cc1C ZINC000408682298 1066526593 /nfs/dbraw/zinc/52/65/93/1066526593.db2.gz WYTYGKBILDGLMT-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000408682553 1066525452 /nfs/dbraw/zinc/52/54/52/1066525452.db2.gz ZAUALPCKCQEEPX-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C(=O)N1CCOCC1 ZINC000408693146 1066535514 /nfs/dbraw/zinc/53/55/14/1066535514.db2.gz JLAGGJLNMNOEHZ-UHFFFAOYSA-N -1 3 512.653 4.569 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000408693898 1066533549 /nfs/dbraw/zinc/53/35/49/1066533549.db2.gz AVKJPZLDWXCTEN-UHFFFAOYSA-N -1 3 592.139 4.720 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)cc1 ZINC000408693899 1066533766 /nfs/dbraw/zinc/53/37/66/1066533766.db2.gz AVNAXDIJCKQMRF-UHFFFAOYSA-N -1 3 610.129 4.859 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000408693950 1066533530 /nfs/dbraw/zinc/53/35/30/1066533530.db2.gz CQHLDLVRKBAFBW-UHFFFAOYSA-N -1 3 550.102 4.943 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)cc1C ZINC000408694179 1066533103 /nfs/dbraw/zinc/53/31/03/1066533103.db2.gz DRENEDDKEXESBR-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)CC1 ZINC000408694210 1066532581 /nfs/dbraw/zinc/53/25/81/1066532581.db2.gz FWLNORNPTTXFNK-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000408694374 1066532111 /nfs/dbraw/zinc/53/21/11/1066532111.db2.gz DWDLLTYRFMNDPV-UHFFFAOYSA-N -1 3 592.139 4.720 40 0 KJABHM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000408694393 1066532224 /nfs/dbraw/zinc/53/22/24/1066532224.db2.gz FPXRMPXRDSNJOX-UHFFFAOYSA-N -1 3 529.684 4.598 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408694436 1066532750 /nfs/dbraw/zinc/53/27/50/1066532750.db2.gz GZZKSLJSZNXNCG-UHFFFAOYSA-N -1 3 536.075 4.634 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)c(C)c1 ZINC000408694456 1066532761 /nfs/dbraw/zinc/53/27/61/1066532761.db2.gz HMXIARKIRXAINR-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000408694761 1066532170 /nfs/dbraw/zinc/53/21/70/1066532170.db2.gz MKYFJCYTAKJFRT-UHFFFAOYSA-N -1 3 529.684 4.598 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)c(C)c1 ZINC000408694806 1066531658 /nfs/dbraw/zinc/53/16/58/1066531658.db2.gz MSDPMDVJPBPOKS-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)CC2)cc1 ZINC000408694817 1066531678 /nfs/dbraw/zinc/53/16/78/1066531678.db2.gz MVSIRWKHIVXONZ-UHFFFAOYSA-N -1 3 573.762 4.866 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000408695070 1066531245 /nfs/dbraw/zinc/53/12/45/1066531245.db2.gz OXIGASLJGBBDKW-UHFFFAOYSA-N -1 3 584.066 4.600 40 0 KJABHM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1 ZINC000408695113 1066531273 /nfs/dbraw/zinc/53/12/73/1066531273.db2.gz PRUIROAIFMJEAZ-UHFFFAOYSA-N -1 3 529.684 4.598 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000408695171 1066531034 /nfs/dbraw/zinc/53/10/34/1066531034.db2.gz LVBYWQUZGCRERD-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1C ZINC000408695191 1066531646 /nfs/dbraw/zinc/53/16/46/1066531646.db2.gz MTOSNQPIFRMSMR-UHFFFAOYSA-N -1 3 550.102 4.943 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)cc2)cc1C ZINC000408695341 1066531194 /nfs/dbraw/zinc/53/11/94/1066531194.db2.gz RXFDBTRPHDBVTG-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000408695363 1066530020 /nfs/dbraw/zinc/53/00/20/1066530020.db2.gz SIHOSAAGYQKNBO-UHFFFAOYSA-N -1 3 529.684 4.598 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)cc2)c(C)c1 ZINC000408695422 1066530760 /nfs/dbraw/zinc/53/07/60/1066530760.db2.gz UMGXKERQZPPBLJ-UHFFFAOYSA-N -1 3 576.140 4.938 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000408695690 1066529710 /nfs/dbraw/zinc/52/97/10/1066529710.db2.gz XLSJOSWKDFJQFG-UHFFFAOYSA-N -1 3 550.102 4.943 40 0 KJABHM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)CC2)cc1 ZINC000408695735 1066529644 /nfs/dbraw/zinc/52/96/44/1066529644.db2.gz UMMJDRUBGFPMDH-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)CC2)c1 ZINC000408695798 1066529423 /nfs/dbraw/zinc/52/94/23/1066529423.db2.gz ZORHESLLEZKWIJ-UHFFFAOYSA-N -1 3 555.722 4.593 40 0 KJABHM O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408695969 1066529076 /nfs/dbraw/zinc/52/90/76/1066529076.db2.gz XELUWJVKWVGBBE-UHFFFAOYSA-N -1 3 555.584 4.580 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)cc1C ZINC000408700546 1066549151 /nfs/dbraw/zinc/54/91/51/1066549151.db2.gz HRGMVJQJJZLXRM-UHFFFAOYSA-N -1 3 541.695 4.840 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408700608 1066549176 /nfs/dbraw/zinc/54/91/76/1066549176.db2.gz IVAITDJORACGAQ-UHFFFAOYSA-N -1 3 571.721 4.930 40 0 KJABHM Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408701249 1066548665 /nfs/dbraw/zinc/54/86/65/1066548665.db2.gz UZYHLWFGTYGDLQ-UHFFFAOYSA-N -1 3 545.658 4.752 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)cc1 ZINC000408701299 1066548508 /nfs/dbraw/zinc/54/85/08/1066548508.db2.gz VTQUSRWIRKCDHS-UHFFFAOYSA-N -1 3 527.668 4.531 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)cc1C ZINC000408701580 1066547991 /nfs/dbraw/zinc/54/79/91/1066547991.db2.gz AEKALVZQOGWOMZ-UHFFFAOYSA-N -1 3 548.086 4.794 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)cc1 ZINC000408701666 1066548101 /nfs/dbraw/zinc/54/81/01/1066548101.db2.gz CBOCYFIPFCWOIF-UHFFFAOYSA-N -1 3 557.694 4.621 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000408701680 1066548047 /nfs/dbraw/zinc/54/80/47/1066548047.db2.gz CLQODWYPEJUFSV-UHFFFAOYSA-N -1 3 548.086 4.794 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408701715 1066548139 /nfs/dbraw/zinc/54/81/39/1066548139.db2.gz DIAFKIRTCPGVDP-UHFFFAOYSA-N -1 3 557.694 4.540 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)cc1 ZINC000408701740 1066548097 /nfs/dbraw/zinc/54/80/97/1066548097.db2.gz DWSLXUCQKURLRN-UHFFFAOYSA-N -1 3 578.112 4.966 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408701786 1066547553 /nfs/dbraw/zinc/54/75/53/1066547553.db2.gz FSVUIXHOCHYDIO-UHFFFAOYSA-N -1 3 571.721 4.786 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3OC)cc2)cc1 ZINC000408701790 1066547664 /nfs/dbraw/zinc/54/76/64/1066547664.db2.gz FUGZXGDDDACDCU-UHFFFAOYSA-N -1 3 587.720 4.712 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408701858 1066548118 /nfs/dbraw/zinc/54/81/18/1066548118.db2.gz HHMNSVJOJIKFTR-UHFFFAOYSA-N -1 3 571.721 4.786 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408702221 1066547480 /nfs/dbraw/zinc/54/74/80/1066547480.db2.gz LSZQEUQSYLHZGZ-UHFFFAOYSA-N -1 3 557.694 4.540 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000408702440 1066546975 /nfs/dbraw/zinc/54/69/75/1066546975.db2.gz GGBCPUBMBHBYIT-UHFFFAOYSA-N -1 3 586.519 4.988 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)c(C)c1 ZINC000408703226 1066546268 /nfs/dbraw/zinc/54/62/68/1066546268.db2.gz PWVNCFQEMHPAHT-UHFFFAOYSA-N -1 3 541.695 4.840 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)c(C)c1 ZINC000408703276 1066546118 /nfs/dbraw/zinc/54/61/18/1066546118.db2.gz QOJMYUCPVWVBDZ-UHFFFAOYSA-N -1 3 548.086 4.794 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408703294 1066546234 /nfs/dbraw/zinc/54/62/34/1066546234.db2.gz RAHGJFCLZZQXDT-UHFFFAOYSA-N -1 3 557.694 4.540 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 ZINC000408703450 1066545832 /nfs/dbraw/zinc/54/58/32/1066545832.db2.gz GBMRWODEWSFTDX-UHFFFAOYSA-N -1 3 551.646 4.577 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)cc2)cc1 ZINC000408703904 1066545359 /nfs/dbraw/zinc/54/53/59/1066545359.db2.gz VOSMTARKQHCLPG-UHFFFAOYSA-N -1 3 571.721 4.867 40 0 KJABHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408703944 1066545692 /nfs/dbraw/zinc/54/56/92/1066545692.db2.gz WPQFOWPOJCMCJM-UHFFFAOYSA-N -1 3 571.721 4.930 40 0 KJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000408703948 1066545817 /nfs/dbraw/zinc/54/58/17/1066545817.db2.gz WRJRPPDPFLQQAN-UHFFFAOYSA-N -1 3 552.049 4.707 40 0 KJABHM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408704820 1066544759 /nfs/dbraw/zinc/54/47/59/1066544759.db2.gz TXZJDTRBCXPHON-UHFFFAOYSA-N -1 3 539.610 4.707 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 ZINC000408704851 1066544874 /nfs/dbraw/zinc/54/48/74/1066544874.db2.gz UKCIEPGMAZCWNN-UHFFFAOYSA-N -1 3 565.673 4.967 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 ZINC000408704867 1066544778 /nfs/dbraw/zinc/54/47/78/1066544778.db2.gz USYOSQKVUAISRN-UHFFFAOYSA-N -1 3 535.647 4.877 40 0 KJABHM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000408706230 1066544321 /nfs/dbraw/zinc/54/43/21/1066544321.db2.gz XYFUKDAVWMSLDA-UHFFFAOYSA-N -1 3 543.711 4.906 40 0 KJABHM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711101 1066558656 /nfs/dbraw/zinc/55/86/56/1066558656.db2.gz AVYLCYVHJWYFMB-GOSISDBHSA-N -1 3 566.101 4.559 40 0 KJABHM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408711102 1066558602 /nfs/dbraw/zinc/55/86/02/1066558602.db2.gz AVYLCYVHJWYFMB-SFHVURJKSA-N -1 3 566.101 4.559 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000408711122 1066558512 /nfs/dbraw/zinc/55/85/12/1066558512.db2.gz JQLGODYQUMYSHO-UHFFFAOYSA-N -1 3 559.710 4.688 40 0 KJABHM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408711123 1066558582 /nfs/dbraw/zinc/55/85/82/1066558582.db2.gz KOWINXZQSDPOLF-UHFFFAOYSA-N -1 3 580.128 4.951 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408711132 1066557431 /nfs/dbraw/zinc/55/74/31/1066557431.db2.gz OGJQILBWPXMDMC-UHFFFAOYSA-N -1 3 566.101 4.643 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C ZINC000408711193 1066557420 /nfs/dbraw/zinc/55/74/20/1066557420.db2.gz GJKCPWPJJNMYPU-UHFFFAOYSA-N -1 3 543.711 4.906 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408711204 1066557392 /nfs/dbraw/zinc/55/73/92/1066557392.db2.gz HYZHLGNXRBQKGJ-UHFFFAOYSA-N -1 3 543.711 4.906 40 0 KJABHM Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000408711317 1066556167 /nfs/dbraw/zinc/55/61/67/1066556167.db2.gz HIZJHWNOMLRVLO-UHFFFAOYSA-N -1 3 554.065 4.773 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1C ZINC000408711366 1066556774 /nfs/dbraw/zinc/55/67/74/1066556774.db2.gz OESSSAFPWROZHN-IBGZPJMESA-N -1 3 550.102 4.859 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1C ZINC000408711367 1066556962 /nfs/dbraw/zinc/55/69/62/1066556962.db2.gz OESSSAFPWROZHN-LJQANCHMSA-N -1 3 550.102 4.859 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)cc2)cc1 ZINC000408711417 1066557500 /nfs/dbraw/zinc/55/75/00/1066557500.db2.gz UZUMWDXZWVVCSA-UHFFFAOYSA-N -1 3 583.663 4.854 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000408711477 1066555808 /nfs/dbraw/zinc/55/58/08/1066555808.db2.gz MLWZDMXTQWYZBO-UHFFFAOYSA-N -1 3 596.127 4.733 40 0 KJABHM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1C ZINC000408711480 1066555789 /nfs/dbraw/zinc/55/57/89/1066555789.db2.gz MYWMMCSWURYCSI-UHFFFAOYSA-N -1 3 543.711 4.906 40 0 KJABHM CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000408711512 1066556259 /nfs/dbraw/zinc/55/62/59/1066556259.db2.gz QPWPKPDHPOWQTA-UHFFFAOYSA-N -1 3 571.627 4.984 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408711515 1066556339 /nfs/dbraw/zinc/55/63/39/1066556339.db2.gz RCPMXTCZMCUIIF-UHFFFAOYSA-N -1 3 543.711 4.806 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408711525 1066556368 /nfs/dbraw/zinc/55/63/68/1066556368.db2.gz SYBNTFZUKSIUNC-GOSISDBHSA-N -1 3 566.101 4.641 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408711526 1066556409 /nfs/dbraw/zinc/55/64/09/1066556409.db2.gz SYBNTFZUKSIUNC-SFHVURJKSA-N -1 3 566.101 4.641 40 0 KJABHM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)S(C)(=O)=O ZINC000408711557 1066556243 /nfs/dbraw/zinc/55/62/43/1066556243.db2.gz XIOTYHXYGNIRIL-IBGZPJMESA-N -1 3 550.102 4.859 40 0 KJABHM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)S(C)(=O)=O ZINC000408711558 1066197682 /nfs/dbraw/zinc/19/76/82/1066197682.db2.gz XIOTYHXYGNIRIL-LJQANCHMSA-N -1 3 550.102 4.859 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)cc2)cc1 ZINC000408712169 1066554479 /nfs/dbraw/zinc/55/44/79/1066554479.db2.gz LILZXELFRJIWFI-UHFFFAOYSA-N -1 3 583.663 4.854 40 0 KJABHM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000408712195 1066554661 /nfs/dbraw/zinc/55/46/61/1066554661.db2.gz PQRLVFKZDHZXCI-UHFFFAOYSA-N -1 3 571.627 4.984 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000408712278 1066555174 /nfs/dbraw/zinc/55/51/74/1066555174.db2.gz HAVUQOPDSRVDSQ-IBGZPJMESA-N -1 3 550.102 4.859 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000408712279 1066555319 /nfs/dbraw/zinc/55/53/19/1066555319.db2.gz HAVUQOPDSRVDSQ-LJQANCHMSA-N -1 3 550.102 4.859 40 0 KJABHM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408712287 1066555255 /nfs/dbraw/zinc/55/52/55/1066555255.db2.gz HNDIQSGDSWWYTB-UHFFFAOYSA-N -1 3 580.128 4.951 40 0 KJABHM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408712327 1066553979 /nfs/dbraw/zinc/55/39/79/1066553979.db2.gz MZXBCLUIZAZTHW-GOSISDBHSA-N -1 3 566.101 4.559 40 0 KJABHM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408712328 1066554131 /nfs/dbraw/zinc/55/41/31/1066554131.db2.gz MZXBCLUIZAZTHW-SFHVURJKSA-N -1 3 566.101 4.559 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000408712346 1066554119 /nfs/dbraw/zinc/55/41/19/1066554119.db2.gz PQHWEBATSMQIMY-UHFFFAOYSA-N -1 3 543.711 4.806 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408712352 1066554070 /nfs/dbraw/zinc/55/40/70/1066554070.db2.gz QAWMTIBALMVSAC-GOSISDBHSA-N -1 3 536.075 4.551 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408712353 1066553892 /nfs/dbraw/zinc/55/38/92/1066553892.db2.gz QAWMTIBALMVSAC-SFHVURJKSA-N -1 3 536.075 4.551 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408712364 1066554169 /nfs/dbraw/zinc/55/41/69/1066554169.db2.gz REPQCWVRUTUBIX-UHFFFAOYSA-N -1 3 550.102 4.943 40 0 KJABHM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000408712385 1066554718 /nfs/dbraw/zinc/55/47/18/1066554718.db2.gz UXBJDMVHCAGWDR-UHFFFAOYSA-N -1 3 580.128 4.951 40 0 KJABHM COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712545 1066553422 /nfs/dbraw/zinc/55/34/22/1066553422.db2.gz JEUQMRZIDIKTBF-UHFFFAOYSA-N -1 3 566.101 4.643 40 0 KJABHM COc1ccc(C)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000408714531 1066551515 /nfs/dbraw/zinc/55/15/15/1066551515.db2.gz AYDJYOZFEFCKFJ-UHFFFAOYSA-N -1 3 589.761 4.953 40 0 KJABHM COc1ccc(C)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 ZINC000408715048 1066550212 /nfs/dbraw/zinc/55/02/12/1066550212.db2.gz YXAUNHOKLWOLAM-UHFFFAOYSA-N -1 3 575.734 4.563 40 0 KJABHM COc1c(I)cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc1I ZINC000408735598 1066564356 /nfs/dbraw/zinc/56/43/56/1066564356.db2.gz UWGSDKZRTGDVAZ-UHFFFAOYSA-N -1 3 538.148 4.899 40 0 KJABHM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408757683 1066585361 /nfs/dbraw/zinc/58/53/61/1066585361.db2.gz OUAYHOWAMGKNBR-IYVASWNSSA-N -1 3 561.059 4.704 40 0 KJABHM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408757686 1066585287 /nfs/dbraw/zinc/58/52/87/1066585287.db2.gz OUAYHOWAMGKNBR-ORVZPOCUSA-N -1 3 561.059 4.704 40 0 KJABHM CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c([O-])c(OC)c4)c(=O)n32)cc1 ZINC000408848943 1066656785 /nfs/dbraw/zinc/65/67/85/1066656785.db2.gz SXDAIPHCJPWYMT-GTWFGUSFSA-N -1 3 620.525 4.749 40 0 KJABHM CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c([O-])c(OC)c4)c(=O)n32)cc1 ZINC000408848948 1066656913 /nfs/dbraw/zinc/65/69/13/1066656913.db2.gz SXDAIPHCJPWYMT-SJJVXOANSA-N -1 3 620.525 4.749 40 0 KJABHM CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)cc1 ZINC000408852766 1066654362 /nfs/dbraw/zinc/65/43/62/1066654362.db2.gz IBQJDCLNBKWVRL-GTWFGUSFSA-N -1 3 576.074 4.640 40 0 KJABHM CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c([O-])c(OC)c4)c(=O)n32)cc1 ZINC000408852771 1066654283 /nfs/dbraw/zinc/65/42/83/1066654283.db2.gz IBQJDCLNBKWVRL-SJJVXOANSA-N -1 3 576.074 4.640 40 0 KJABHM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000408868316 1066669765 /nfs/dbraw/zinc/66/97/65/1066669765.db2.gz LWBCMUYZNZOVIW-CHHVJCJISA-N -1 3 548.280 4.691 40 0 KJABHM COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000408873780 1066256184 /nfs/dbraw/zinc/25/61/84/1066256184.db2.gz VQAFYTOPZLUACP-APSNUPSMSA-N -1 3 561.332 4.866 40 0 KJABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1[O-] ZINC000408877719 1066256720 /nfs/dbraw/zinc/25/67/20/1066256720.db2.gz YAXHXEUBFFTAJD-CHHVJCJISA-N -1 3 531.306 4.857 40 0 KJABHM COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000408878111 1066675728 /nfs/dbraw/zinc/67/57/28/1066675728.db2.gz WOTJCZOFJUDUKS-APSNUPSMSA-N -1 3 578.306 4.699 40 0 KJABHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408908075 1066265973 /nfs/dbraw/zinc/26/59/73/1066265973.db2.gz DLCYACIWUJSERB-VEOZPNHKSA-N -1 3 591.085 4.702 40 0 KJABHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408908078 1066692965 /nfs/dbraw/zinc/69/29/65/1066692965.db2.gz DLCYACIWUJSERB-ZEKHAJRLSA-N -1 3 591.085 4.702 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408917847 1066707319 /nfs/dbraw/zinc/70/73/19/1066707319.db2.gz BWXJJYQKGIMVQR-GJFKPFFXSA-N -1 3 549.048 4.709 40 0 KJABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408917848 1066707387 /nfs/dbraw/zinc/70/73/87/1066707387.db2.gz BWXJJYQKGIMVQR-LWUPDDLQSA-N -1 3 549.048 4.709 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408920193 1066268637 /nfs/dbraw/zinc/26/86/37/1066268637.db2.gz AUNPIRIZUUWXED-UHFFFAOYSA-N -1 3 581.672 4.693 40 0 KJABHM CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000408920200 1066705041 /nfs/dbraw/zinc/70/50/41/1066705041.db2.gz AZRMPHRTXNNCOT-UHFFFAOYSA-N -1 3 553.637 4.845 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000408920406 1066704485 /nfs/dbraw/zinc/70/44/85/1066704485.db2.gz GHXYMVSAHWULJL-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000408920435 1066704653 /nfs/dbraw/zinc/70/46/53/1066704653.db2.gz HOZFKKMXZSUUJH-UHFFFAOYSA-N -1 3 555.600 4.528 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1C ZINC000408920609 1066704666 /nfs/dbraw/zinc/70/46/66/1066704666.db2.gz KBHONABONYNNFZ-UHFFFAOYSA-N -1 3 555.600 4.528 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000408920615 1066269374 /nfs/dbraw/zinc/26/93/74/1066269374.db2.gz KFRGTLGHDFAMIR-UHFFFAOYSA-N -1 3 595.699 4.647 40 0 KJABHM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000408921000 1066200046 /nfs/dbraw/zinc/20/00/46/1066200046.db2.gz QMQVUENRKPAXSD-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408921014 1066703908 /nfs/dbraw/zinc/70/39/08/1066703908.db2.gz QVQGFTHWRCZASW-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408921130 1066703427 /nfs/dbraw/zinc/70/34/27/1066703427.db2.gz STJXEWUFHBIBIH-UHFFFAOYSA-N -1 3 529.684 4.632 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000408921555 1066702869 /nfs/dbraw/zinc/70/28/69/1066702869.db2.gz ARXYPHJIYJLMGG-UHFFFAOYSA-N -1 3 595.699 4.647 40 0 KJABHM CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)c2ccccc2)cc1 ZINC000408924261 1066701149 /nfs/dbraw/zinc/70/11/49/1066701149.db2.gz FJFVUODCTMJGHA-UHFFFAOYSA-N -1 3 595.699 4.729 40 0 KJABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408925111 1066700479 /nfs/dbraw/zinc/70/04/79/1066700479.db2.gz JQEUUXFTKHMSFG-UHFFFAOYSA-N -1 3 613.689 4.786 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000408925320 1066270891 /nfs/dbraw/zinc/27/08/91/1066270891.db2.gz MHDXAHACDGTHIU-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000408926163 1066271834 /nfs/dbraw/zinc/27/18/34/1066271834.db2.gz PQQHPDADKYNYLF-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccc(C)cc2)cc1OC ZINC000408926181 1066700029 /nfs/dbraw/zinc/70/00/29/1066700029.db2.gz PWNKXSIHBVRUEP-UHFFFAOYSA-N -1 3 613.689 4.786 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000408926416 1066271724 /nfs/dbraw/zinc/27/17/24/1066271724.db2.gz XXNABJZGBUJISL-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c2ccccc2)cc1 ZINC000408926500 1066271997 /nfs/dbraw/zinc/27/19/97/1066271997.db2.gz YGODJMRECFRHLT-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3OC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000408926819 1066699396 /nfs/dbraw/zinc/69/93/96/1066699396.db2.gz RICOLDVUHRDETE-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccc(F)cc2)cc1 ZINC000408927127 1066698751 /nfs/dbraw/zinc/69/87/51/1066698751.db2.gz SSRYJJVZIMGIQB-UHFFFAOYSA-N -1 3 571.627 4.908 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408927224 1066698775 /nfs/dbraw/zinc/69/87/75/1066698775.db2.gz UIHXDMXUMHEHEL-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000408927480 1066711083 /nfs/dbraw/zinc/71/10/83/1066711083.db2.gz VXKVYAWBDDCHFD-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000408927489 1066711136 /nfs/dbraw/zinc/71/11/36/1066711136.db2.gz VZQXLZVMIKCFBB-UHFFFAOYSA-N -1 3 579.700 4.947 40 0 KJABHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408927560 1066711121 /nfs/dbraw/zinc/71/11/21/1066711121.db2.gz XKAMEWPHDNEXDC-UHFFFAOYSA-N -1 3 583.663 4.859 40 0 KJABHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408985615 1066748395 /nfs/dbraw/zinc/74/83/95/1066748395.db2.gz NXVVVWGYIOTFKU-BQKWAYIGSA-N -1 3 581.477 4.957 40 0 KJABHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408985616 1066293591 /nfs/dbraw/zinc/29/35/91/1066293591.db2.gz NXVVVWGYIOTFKU-GMPUOFRTSA-N -1 3 581.477 4.957 40 0 KJABHM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc(Br)c1OCC(N)=O ZINC000408999359 1066767320 /nfs/dbraw/zinc/76/73/20/1066767320.db2.gz CNOPOUAXZFKYCY-UHFFFAOYSA-N -1 3 506.422 4.748 40 0 KJABHM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Br)c([O-])c(OC)c3)sc2=N1 ZINC000409034264 1066789336 /nfs/dbraw/zinc/78/93/36/1066789336.db2.gz NALKAXPQIJYTMN-NWKGEQBZSA-N -1 3 666.388 4.826 40 0 KJABHM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Br)c([O-])c(OC)c3)sc2=N1 ZINC000409034267 1066789453 /nfs/dbraw/zinc/78/94/53/1066789453.db2.gz NALKAXPQIJYTMN-YOKWNPFVSA-N -1 3 666.388 4.826 40 0 KJABHM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Cl)c([O-])c(OC)c3)sc2=N1 ZINC000409036931 1066785020 /nfs/dbraw/zinc/78/50/20/1066785020.db2.gz CADPVHXYNJFBIM-NWKGEQBZSA-N -1 3 577.486 4.608 40 0 KJABHM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Cl)c([O-])c(OC)c3)sc2=N1 ZINC000409036935 1066785344 /nfs/dbraw/zinc/78/53/44/1066785344.db2.gz CADPVHXYNJFBIM-YOKWNPFVSA-N -1 3 577.486 4.608 40 0 KJABHM CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Br)c([O-])c(OC)c3)sc2=N1 ZINC000409038678 1066811627 /nfs/dbraw/zinc/81/16/27/1066811627.db2.gz VKPHVYDOISKLFZ-NWKGEQBZSA-N -1 3 621.937 4.717 40 0 KJABHM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cc(Br)c([O-])c(OC)c3)sc2=N1 ZINC000409038680 1066811734 /nfs/dbraw/zinc/81/17/34/1066811734.db2.gz VKPHVYDOISKLFZ-YOKWNPFVSA-N -1 3 621.937 4.717 40 0 KJABHM CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Cl)c([O-])c(OC)c3)sc2=N1 ZINC000409041784 1066806687 /nfs/dbraw/zinc/80/66/87/1066806687.db2.gz JTAVUYISJNWDKH-NWKGEQBZSA-N -1 3 621.937 4.717 40 0 KJABHM CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cc(Cl)c([O-])c(OC)c3)sc2=N1 ZINC000409041786 1066806548 /nfs/dbraw/zinc/80/65/48/1066806548.db2.gz JTAVUYISJNWDKH-YOKWNPFVSA-N -1 3 621.937 4.717 40 0 KJABHM COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(I)c1OCc1ccccc1 ZINC000409054392 1066813279 /nfs/dbraw/zinc/81/32/79/1066813279.db2.gz FTJHHQQCBJQGGN-UHFFFAOYSA-N -1 3 546.365 4.533 40 0 KJABHM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c([O-])c(OCC)c3)C2=O)cc1 ZINC000409098037 1066877641 /nfs/dbraw/zinc/87/76/41/1066877641.db2.gz IERHSIOJQKEORL-WOJGMQOQSA-N -1 3 521.389 4.627 40 0 KJABHM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409106314 1066881043 /nfs/dbraw/zinc/88/10/43/1066881043.db2.gz LBYQECWJEVXAOK-HTCWZNLXSA-N -1 3 592.117 4.633 40 0 KJABHM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409106316 1066881124 /nfs/dbraw/zinc/88/11/24/1066881124.db2.gz LBYQECWJEVXAOK-WWFXOLRUSA-N -1 3 592.117 4.633 40 0 KJABHM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409109081 1066893466 /nfs/dbraw/zinc/89/34/66/1066893466.db2.gz XNUXZCDSGZHDGW-HTCWZNLXSA-N -1 3 636.568 4.742 40 0 KJABHM CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409109082 1066893420 /nfs/dbraw/zinc/89/34/20/1066893420.db2.gz XNUXZCDSGZHDGW-WWFXOLRUSA-N -1 3 636.568 4.742 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(Br)c1[O-] ZINC000409150198 1066925954 /nfs/dbraw/zinc/92/59/54/1066925954.db2.gz ASMZJVZWQDXANT-LZYBPNLTSA-N -1 3 509.403 4.560 40 0 KJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(Cl)c1[O-] ZINC000409151081 1066925122 /nfs/dbraw/zinc/92/51/22/1066925122.db2.gz AAWRMELVDKMUPM-IUXPMGMMSA-N -1 3 525.366 4.559 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(Br)c1[O-] ZINC000409152485 1066923981 /nfs/dbraw/zinc/92/39/81/1066923981.db2.gz BFNOZHQPYBCTEX-RQZCQDPDSA-N -1 3 523.430 4.950 40 0 KJABHM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(I)c3)C2=O)ccc1Cl ZINC000409152505 1066923962 /nfs/dbraw/zinc/92/39/62/1066923962.db2.gz BITGHVQQXHECDY-NVMNQCDNSA-N -1 3 600.818 4.892 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)c1[O-] ZINC000409153179 1066923649 /nfs/dbraw/zinc/92/36/49/1066923649.db2.gz LAEKKZKGQSDBOZ-VCHYOVAHSA-N -1 3 505.390 4.845 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(Br)c1[O-] ZINC000409154723 1066922351 /nfs/dbraw/zinc/92/23/51/1066922351.db2.gz KTQUSOPAOAOLAT-CAOOACKPSA-N -1 3 569.817 4.668 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409156156 1066920401 /nfs/dbraw/zinc/92/04/01/1066920401.db2.gz SHXIJVADPBVFOX-LZYBPNLTSA-N -1 3 511.781 4.882 40 0 KJABHM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(I)c3)C2=O)ccc1Cl ZINC000409163454 1066930628 /nfs/dbraw/zinc/93/06/28/1066930628.db2.gz RUBFLDFRPYXVFB-IUXPMGMMSA-N -1 3 586.791 4.502 40 0 KJABHM CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(OC)c3)C2=O)ccc1Cl ZINC000409163727 1066930652 /nfs/dbraw/zinc/93/06/52/1066930652.db2.gz WZBYPCDRMBABJB-NVMNQCDNSA-N -1 3 539.393 4.949 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000409164296 1066929827 /nfs/dbraw/zinc/92/98/27/1066929827.db2.gz GEBKJTFXTMVFOZ-CXUHLZMHSA-N -1 3 511.781 4.882 40 0 KJABHM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(OCC)c3)C2=O)ccc1Cl ZINC000409164304 1066332032 /nfs/dbraw/zinc/33/20/32/1066332032.db2.gz GJWOKPNLYHVAMJ-NVMNQCDNSA-N -1 3 539.393 4.949 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Br)c1[O-] ZINC000409166567 1066332375 /nfs/dbraw/zinc/33/23/75/1066332375.db2.gz DCGHSVJDFWVSOT-OVCLIPMQSA-N -1 3 542.205 4.601 40 0 KJABHM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(OC)c3)C2=O)ccc1Cl ZINC000409166768 1066936411 /nfs/dbraw/zinc/93/64/11/1066936411.db2.gz FPYRQKKVTCJNFQ-IUXPMGMMSA-N -1 3 525.366 4.559 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000409167767 1066945098 /nfs/dbraw/zinc/94/50/98/1066945098.db2.gz MYCRLAJORUCIRT-UHFFFAOYSA-N -1 3 565.673 4.882 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Br)c1[O-] ZINC000409167876 1066945143 /nfs/dbraw/zinc/94/51/43/1066945143.db2.gz JRDMHEUNKDSTDL-LICLKQGHSA-N -1 3 505.390 4.845 40 0 KJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Cl)c1[O-] ZINC000409168591 1066944349 /nfs/dbraw/zinc/94/43/49/1066944349.db2.gz MPNVROJDQBAVNU-SXGWCWSVSA-N -1 3 511.781 4.882 40 0 KJABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409168928 1066943804 /nfs/dbraw/zinc/94/38/04/1066943804.db2.gz NTRXSCRUBZVISN-NVNXTCNLSA-N -1 3 516.154 4.996 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000409169344 1066943452 /nfs/dbraw/zinc/94/34/52/1066943452.db2.gz XQFZNTBBABCROC-UHFFFAOYSA-N -1 3 625.700 4.849 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccc(F)cc2)cc1OC ZINC000409171547 1066941747 /nfs/dbraw/zinc/94/17/47/1066941747.db2.gz DIWLUVVJFMLIQN-UHFFFAOYSA-N -1 3 617.652 4.617 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(OC)ccc3OC)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000409171551 1066941979 /nfs/dbraw/zinc/94/19/79/1066941979.db2.gz DKPPWVDVFOPCMG-UHFFFAOYSA-N -1 3 685.777 4.755 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c2ccccc2)cc1OC ZINC000409172541 1066940629 /nfs/dbraw/zinc/94/06/29/1066940629.db2.gz KKPCYIKWZOMOAM-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409172718 1066940749 /nfs/dbraw/zinc/94/07/49/1066940749.db2.gz GYUIPRBYIYDDAD-UHFFFAOYSA-N -1 3 655.751 4.664 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Br)c1[O-] ZINC000409172842 1066940806 /nfs/dbraw/zinc/94/08/06/1066940806.db2.gz FZZRDFAXNOOLFT-CXUHLZMHSA-N -1 3 556.232 4.991 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000409173124 1066940378 /nfs/dbraw/zinc/94/03/78/1066940378.db2.gz KHHKBQLSXLHUGC-UHFFFAOYSA-N -1 3 643.715 4.876 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c2ccc(F)cc2)cc1OC ZINC000409173589 1066939931 /nfs/dbraw/zinc/93/99/31/1066939931.db2.gz MBPRBHDTULVFQP-UHFFFAOYSA-N -1 3 613.689 4.786 40 0 KJABHM CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c([O-])c(OC)c3)C2=O)ccc1Cl ZINC000409174106 1066939520 /nfs/dbraw/zinc/93/95/20/1066939520.db2.gz RXTOXUZOQXWBKC-CAOOACKPSA-N -1 3 569.817 4.668 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c2ccccc2)cc1OC ZINC000409174409 1066939070 /nfs/dbraw/zinc/93/90/70/1066939070.db2.gz SJMWTAGOKJVBIO-UHFFFAOYSA-N -1 3 595.699 4.647 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1C ZINC000409174965 1066939012 /nfs/dbraw/zinc/93/90/12/1066939012.db2.gz WXKPOUWSTVSYHZ-UHFFFAOYSA-N -1 3 625.700 4.849 40 0 KJABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409176821 1066936947 /nfs/dbraw/zinc/93/69/47/1066936947.db2.gz YSXOOQPGZQGVOU-UHFFFAOYSA-N -1 3 669.778 4.973 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(Br)c1[O-] ZINC000409176889 1066937362 /nfs/dbraw/zinc/93/73/62/1066937362.db2.gz ABTLIPQVIUKQHC-WOJGMQOQSA-N -1 3 505.390 4.791 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c2ccccc2)cc1OC ZINC000409177001 1066937536 /nfs/dbraw/zinc/93/75/36/1066937536.db2.gz AHPQHZFRTQUZBK-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(I)c3)C2=O)cc1Cl ZINC000409177642 1066949300 /nfs/dbraw/zinc/94/93/00/1066949300.db2.gz BJKHSFHZNYZVTD-APSNUPSMSA-N -1 3 528.755 4.634 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(I)cc3)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000409177754 1066334038 /nfs/dbraw/zinc/33/40/38/1066334038.db2.gz CRIAYWZPKPHVCF-UHFFFAOYSA-N -1 3 677.542 4.935 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000409177796 1066949437 /nfs/dbraw/zinc/94/94/37/1066949437.db2.gz ISEVLRYGYKFZFV-UHFFFAOYSA-N -1 3 616.117 4.992 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000409178056 1066333787 /nfs/dbraw/zinc/33/37/87/1066333787.db2.gz DUCLCQYVIQOREE-UHFFFAOYSA-N -1 3 625.725 4.737 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000409182127 1066206672 /nfs/dbraw/zinc/20/66/72/1066206672.db2.gz JHEKYJHIPHQQPS-UHFFFAOYSA-N -1 3 641.699 4.630 40 0 KJABHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c2ccccc2)cc1OC ZINC000409182207 1066334478 /nfs/dbraw/zinc/33/44/78/1066334478.db2.gz JDWQUGPTGYHTQR-UHFFFAOYSA-N -1 3 609.726 4.955 40 0 KJABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409182542 1066946669 /nfs/dbraw/zinc/94/66/69/1066946669.db2.gz MJSXNDIMAVYWMF-UHFFFAOYSA-N -1 3 669.778 4.973 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000409182582 1066946767 /nfs/dbraw/zinc/94/67/67/1066946767.db2.gz MRTYLOSZGOXRCA-UHFFFAOYSA-N -1 3 611.673 4.540 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(Br)c1[O-] ZINC000409182910 1066946360 /nfs/dbraw/zinc/94/63/60/1066946360.db2.gz PYFGUGBJJGJBGD-VCHYOVAHSA-N -1 3 505.390 4.845 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)cc1 ZINC000409182914 1066946337 /nfs/dbraw/zinc/94/63/37/1066946337.db2.gz QAPDJPYAPAGRDP-UHFFFAOYSA-N -1 3 501.564 4.638 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1 ZINC000409184314 1066945844 /nfs/dbraw/zinc/94/58/44/1066945844.db2.gz XIIVITBEVCVQDT-UHFFFAOYSA-N -1 3 625.700 4.849 40 0 KJABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409184414 1066945990 /nfs/dbraw/zinc/94/59/90/1066945990.db2.gz WSNDLDCBJJLVKW-UHFFFAOYSA-N -1 3 669.778 4.973 40 0 KJABHM COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1[O-] ZINC000409219732 1066971571 /nfs/dbraw/zinc/97/15/71/1066971571.db2.gz PNTUITYQXKQWOA-LZYBPNLTSA-N -1 3 527.190 4.845 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409220206 1066206717 /nfs/dbraw/zinc/20/67/17/1066206717.db2.gz ZHDDRICJTPSGSH-GIDUJCDVSA-N -1 3 515.744 4.631 40 0 KJABHM O=C(CN1C(=O)SC(=Cc2ccc([O-])c(I)c2)C1=O)c1ccc(Br)cc1 ZINC000409225109 1066968069 /nfs/dbraw/zinc/96/80/69/1066968069.db2.gz OYXQTZAWVITELS-PXNMLYILSA-N -1 3 544.164 4.679 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1[O-] ZINC000409237219 1066974102 /nfs/dbraw/zinc/97/41/02/1066974102.db2.gz IKRYNMQAEVWYPZ-CXUHLZMHSA-N -1 3 511.781 4.882 40 0 KJABHM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O)Nc1cccc2ccccc21 ZINC000409269818 1066346405 /nfs/dbraw/zinc/34/64/05/1066346405.db2.gz FEAZKEHJAYIHJR-ODLFYWEKSA-N -1 3 530.343 4.825 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(Br)c1[O-] ZINC000409270673 1067006304 /nfs/dbraw/zinc/00/63/04/1067006304.db2.gz IEGKYLRSYDBBKF-VCHYOVAHSA-N -1 3 505.390 4.845 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409270678 1067006151 /nfs/dbraw/zinc/00/61/51/1067006151.db2.gz IFSHMPQHUALRPF-CAOOACKPSA-N -1 3 541.807 4.890 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(Br)c1[O-] ZINC000409271580 1067005169 /nfs/dbraw/zinc/00/51/69/1067005169.db2.gz KIFUMNRFYVEERV-VCHYOVAHSA-N -1 3 505.390 4.845 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(Br)c1[O-] ZINC000409273013 1067014051 /nfs/dbraw/zinc/01/40/51/1067014051.db2.gz PBHVOBBSFQRHFQ-VCHYOVAHSA-N -1 3 505.390 4.845 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc(Br)c1[O-] ZINC000409274741 1067011809 /nfs/dbraw/zinc/01/18/09/1067011809.db2.gz XFZQDMXBTIGMBN-FRKPEAEDSA-N -1 3 511.781 4.800 40 0 KJABHM Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000409274790 1067011831 /nfs/dbraw/zinc/01/18/31/1067011831.db2.gz XWEIACYJJSRSSJ-APSNUPSMSA-N -1 3 528.755 4.634 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(Br)c1[O-] ZINC000409275035 1067011622 /nfs/dbraw/zinc/01/16/22/1067011622.db2.gz HKCQPHLBGOEETF-VGOFMYFVSA-N -1 3 531.306 4.646 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc(Br)c1[O-] ZINC000409276019 1066349665 /nfs/dbraw/zinc/34/96/65/1066349665.db2.gz NWMXBRDKQAIETM-FRKPEAEDSA-N -1 3 513.316 4.507 40 0 KJABHM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c([O-])c(OC)c3)C2=O)cc1Cl ZINC000409276505 1067014930 /nfs/dbraw/zinc/01/49/30/1067014930.db2.gz RZHODRCVJDYMTI-FRKPEAEDSA-N -1 3 527.780 4.500 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000409326565 1067044290 /nfs/dbraw/zinc/04/42/90/1067044290.db2.gz CFMGXYNGJLMPJF-UHFFFAOYSA-N -1 3 535.647 4.873 40 0 KJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Cl)c1[O-] ZINC000409327030 1067044467 /nfs/dbraw/zinc/04/44/67/1067044467.db2.gz GUSKTRNDPOAGSR-SXGWCWSVSA-N -1 3 511.781 4.882 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Br)c1[O-] ZINC000409327943 1067055609 /nfs/dbraw/zinc/05/56/09/1067055609.db2.gz NVFDFRCVOYYHKU-CXUHLZMHSA-N -1 3 556.232 4.991 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000409330255 1067054255 /nfs/dbraw/zinc/05/42/55/1067054255.db2.gz KKHAOLSUMDNHNM-UHFFFAOYSA-N -1 3 565.673 4.964 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000409332571 1067053148 /nfs/dbraw/zinc/05/31/48/1067053148.db2.gz QJIGUGADVSNESN-UHFFFAOYSA-N -1 3 565.673 4.882 40 0 KJABHM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000409339028 1066359957 /nfs/dbraw/zinc/35/99/57/1066359957.db2.gz DKGHCLCLLOIDMK-UHFFFAOYSA-N -1 3 539.610 4.704 40 0 KJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(Br)c1[O-] ZINC000409339589 1067063293 /nfs/dbraw/zinc/06/32/93/1067063293.db2.gz WPPZBJGPNFUNIC-CXUHLZMHSA-N -1 3 603.232 4.833 40 0 KJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(Cl)c1[O-] ZINC000409339756 1067062730 /nfs/dbraw/zinc/06/27/30/1067062730.db2.gz XVKPTMYGIPQMKH-SXGWCWSVSA-N -1 3 558.781 4.724 40 0 KJABHM CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(I)c3)C2=O)cc1 ZINC000409342127 1067061227 /nfs/dbraw/zinc/06/12/27/1067061227.db2.gz ABOSNJXKMDCPMD-ZDLGFXPLSA-N -1 3 522.364 4.795 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(Br)c1[O-] ZINC000409347741 1067074155 /nfs/dbraw/zinc/07/41/55/1067074155.db2.gz RACUOPIMGLUXTD-VCHYOVAHSA-N -1 3 505.390 4.962 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000409348286 1067073641 /nfs/dbraw/zinc/07/36/41/1067073641.db2.gz RYHYAMYJBMEMQI-UHFFFAOYSA-N -1 3 613.689 4.868 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409348418 1067073798 /nfs/dbraw/zinc/07/37/98/1067073798.db2.gz SOLHSFKXXDIDSL-UHFFFAOYSA-N -1 3 583.663 4.778 40 0 KJABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409348613 1066360424 /nfs/dbraw/zinc/36/04/24/1066360424.db2.gz NTJMQZRVSGTCKJ-UHFFFAOYSA-N -1 3 587.626 4.608 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000409350789 1067072125 /nfs/dbraw/zinc/07/21/25/1067072125.db2.gz ZCJIWDGRPWQGJO-UHFFFAOYSA-N -1 3 551.646 4.573 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Br)c1[O-] ZINC000409351192 1067071062 /nfs/dbraw/zinc/07/10/62/1067071062.db2.gz ZYSAAECCXZTKQU-OVCLIPMQSA-N -1 3 542.205 4.601 40 0 KJABHM Cc1[n-][nH]c(=O)c1C(c1cn(Cc2ccc(I)cc2)c2ccccc12)c1c(C)[nH][nH]c1=O ZINC000409359958 1067082318 /nfs/dbraw/zinc/08/23/18/1067082318.db2.gz CPYUAGHXSCFSHB-UHFFFAOYSA-N -1 3 539.377 4.949 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1C ZINC000409367145 1067075299 /nfs/dbraw/zinc/07/52/99/1067075299.db2.gz HBJZYNZIBKTDSG-UHFFFAOYSA-N -1 3 536.391 4.726 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)c1 ZINC000409367632 1066363791 /nfs/dbraw/zinc/36/37/91/1066363791.db2.gz GPAOOXJNUUJLIV-UHFFFAOYSA-N -1 3 528.074 4.794 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)c1 ZINC000409368337 1067091069 /nfs/dbraw/zinc/09/10/69/1067091069.db2.gz YQWHQYHJOVPTOH-UHFFFAOYSA-N -1 3 536.391 4.726 40 0 KJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)c1 ZINC000409371819 1067088830 /nfs/dbraw/zinc/08/88/30/1067088830.db2.gz PHOPMINBUBDQJK-UHFFFAOYSA-N -1 3 536.391 4.726 40 0 KJABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(Br)c1[O-] ZINC000409374052 1067087935 /nfs/dbraw/zinc/08/79/35/1067087935.db2.gz JRBSWUOKDPYNMT-RQZCQDPDSA-N -1 3 505.390 4.764 40 0 KJABHM Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(I)c3)C2=O)c(C)c1 ZINC000409374622 1067087186 /nfs/dbraw/zinc/08/71/86/1067087186.db2.gz VFDCPENVCZERSK-MFOYZWKCSA-N -1 3 522.364 4.597 40 0 KJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)c1 ZINC000409381016 1067101803 /nfs/dbraw/zinc/10/18/03/1067101803.db2.gz CUOFSCOSNSJRIE-UHFFFAOYSA-N -1 3 528.074 4.794 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)c(C)c2)cc1 ZINC000409382530 1067098806 /nfs/dbraw/zinc/09/88/06/1067098806.db2.gz ONQNNEUOXMAIQQ-UHFFFAOYSA-N -1 3 536.391 4.726 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)cc1C ZINC000409383323 1066364742 /nfs/dbraw/zinc/36/47/42/1066364742.db2.gz UHLAUNJNBXANDZ-UHFFFAOYSA-N -1 3 528.074 4.794 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(C)c2)cc1 ZINC000409383792 1067097349 /nfs/dbraw/zinc/09/73/49/1067097349.db2.gz HMYJPUIWILGJFW-UHFFFAOYSA-N -1 3 528.074 4.794 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000409387031 1067094170 /nfs/dbraw/zinc/09/41/70/1067094170.db2.gz NCJGXODOIHIWNA-UHFFFAOYSA-N -1 3 571.699 4.809 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000409387522 1066366518 /nfs/dbraw/zinc/36/65/18/1066366518.db2.gz BWFVOCWNSCIXHH-UHFFFAOYSA-N -1 3 505.390 4.666 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)cc1 ZINC000409387661 1066366808 /nfs/dbraw/zinc/36/68/08/1066366808.db2.gz DHZPXPNUIYZOAN-UHFFFAOYSA-N -1 3 505.390 4.666 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)cc1 ZINC000409389817 1067107561 /nfs/dbraw/zinc/10/75/61/1067107561.db2.gz OUMCANSGYKHBBT-UHFFFAOYSA-N -1 3 505.390 4.666 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1 ZINC000409390043 1067107531 /nfs/dbraw/zinc/10/75/31/1067107531.db2.gz TYQQSLJXQRDAQZ-UHFFFAOYSA-N -1 3 552.390 4.508 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)cc1 ZINC000409390086 1066366483 /nfs/dbraw/zinc/36/64/83/1066366483.db2.gz JCXRGIQLAGQQBG-UHFFFAOYSA-N -1 3 523.380 4.805 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000409390163 1067107477 /nfs/dbraw/zinc/10/74/77/1067107477.db2.gz JVFBWVFZHBCNAD-UHFFFAOYSA-N -1 3 520.438 4.522 40 0 KJABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000409390754 1067106975 /nfs/dbraw/zinc/10/69/75/1067106975.db2.gz LIAZPALWIJDPLX-IBGZPJMESA-N -1 3 532.493 4.594 40 0 KJABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000409390756 1067106758 /nfs/dbraw/zinc/10/67/58/1067106758.db2.gz LIAZPALWIJDPLX-LJQANCHMSA-N -1 3 532.493 4.594 40 0 KJABHM Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000409390767 1067106833 /nfs/dbraw/zinc/10/68/33/1067106833.db2.gz LJVTXRZUAJYEKL-UHFFFAOYSA-N -1 3 534.465 4.830 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409390769 1067106795 /nfs/dbraw/zinc/10/67/95/1067106795.db2.gz VVPNMJHRNJDAOY-UHFFFAOYSA-N -1 3 509.411 4.888 40 0 KJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccc(I)cc1 ZINC000409390817 1067106895 /nfs/dbraw/zinc/10/68/95/1067106895.db2.gz WRQNOYUFULGJQK-UHFFFAOYSA-N -1 3 542.782 4.763 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)cc1 ZINC000409391324 1067106251 /nfs/dbraw/zinc/10/62/51/1067106251.db2.gz NBEKQDWTBASSLE-UHFFFAOYSA-N -1 3 544.073 4.576 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000409391809 1066366066 /nfs/dbraw/zinc/36/60/66/1066366066.db2.gz OTENQBUSAWCQLB-UHFFFAOYSA-N -1 3 508.640 4.746 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)cc1 ZINC000409409069 1067135527 /nfs/dbraw/zinc/13/55/27/1067135527.db2.gz MMTHZUROZCWGBP-UHFFFAOYSA-N -1 3 579.700 4.780 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000409409208 1067134983 /nfs/dbraw/zinc/13/49/83/1067134983.db2.gz GAPHCFLLNLNCGZ-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)c(C)c1 ZINC000409409908 1067133595 /nfs/dbraw/zinc/13/35/95/1067133595.db2.gz JXDJLQXEMLMGGM-UHFFFAOYSA-N -1 3 506.365 4.961 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1 ZINC000409410540 1067133102 /nfs/dbraw/zinc/13/31/02/1067133102.db2.gz NSODXLGEEVUERF-UHFFFAOYSA-N -1 3 625.725 4.981 40 0 KJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000409410778 1067132484 /nfs/dbraw/zinc/13/24/84/1067132484.db2.gz PSTMTBZNRUUMQA-UHFFFAOYSA-N -1 3 556.493 4.816 40 0 KJABHM O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000409410954 1066369026 /nfs/dbraw/zinc/36/90/26/1066369026.db2.gz BGRBSTQDJNQWHV-UHFFFAOYSA-N -1 3 557.600 4.600 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000409411270 1067131700 /nfs/dbraw/zinc/13/17/00/1067131700.db2.gz VSRBKFUKUUPTJS-GOSISDBHSA-N -1 3 536.075 4.551 40 0 KJABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000409411271 1067131859 /nfs/dbraw/zinc/13/18/59/1067131859.db2.gz VSRBKFUKUUPTJS-SFHVURJKSA-N -1 3 536.075 4.551 40 0 KJABHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccccc1N1CCOCC1 ZINC000409411311 1067131769 /nfs/dbraw/zinc/13/17/69/1067131769.db2.gz FUVYJXCALSMMRK-UHFFFAOYSA-N -1 3 566.481 4.970 40 0 KJABHM CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000409411312 1067131851 /nfs/dbraw/zinc/13/18/51/1067131851.db2.gz FVGKGYGJSJBHLN-UHFFFAOYSA-N -1 3 512.227 4.926 40 0 KJABHM CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000409411380 1066369207 /nfs/dbraw/zinc/36/92/07/1066369207.db2.gz HKOSFDVUYKMEJA-UHFFFAOYSA-N -1 3 559.227 4.769 40 0 KJABHM COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)cc1 ZINC000409411514 1067131119 /nfs/dbraw/zinc/13/11/19/1067131119.db2.gz IFUOSOUOSJCYCH-UHFFFAOYSA-N -1 3 539.411 4.920 40 0 KJABHM CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000409411569 1067131103 /nfs/dbraw/zinc/13/11/03/1067131103.db2.gz JJBLEUCXMXYMTC-UHFFFAOYSA-N -1 3 525.812 4.604 40 0 KJABHM CCOC(=O)c1cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2CC)ccc1Cl ZINC000409411841 1067131135 /nfs/dbraw/zinc/13/11/35/1067131135.db2.gz LYTBDWAYMRRZSO-UHFFFAOYSA-N -1 3 539.839 4.994 40 0 KJABHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000409411861 1067131038 /nfs/dbraw/zinc/13/10/38/1067131038.db2.gz MJHXNDLMPFGMAM-UHFFFAOYSA-N -1 3 566.481 4.970 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)cc1 ZINC000409411876 1067131080 /nfs/dbraw/zinc/13/10/80/1067131080.db2.gz MQXKSZQOLZJSHK-UHFFFAOYSA-N -1 3 522.364 4.743 40 0 KJABHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000409412047 1066368980 /nfs/dbraw/zinc/36/89/80/1066368980.db2.gz QLTSSKOGUSGIMX-UHFFFAOYSA-N -1 3 539.411 4.904 40 0 KJABHM CCn1c(SCC(=O)Nc2cccc(I)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000409412082 1067130436 /nfs/dbraw/zinc/13/04/36/1067130436.db2.gz QWSDMFRITBCKHP-UHFFFAOYSA-N -1 3 559.227 4.769 40 0 KJABHM COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1 ZINC000409412153 1067130420 /nfs/dbraw/zinc/13/04/20/1067130420.db2.gz SGBYRDKFKVVPPN-UHFFFAOYSA-N -1 3 539.411 4.920 40 0 KJABHM CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000409412274 1067130260 /nfs/dbraw/zinc/13/02/60/1067130260.db2.gz DQXXLWVWQJRQKQ-UHFFFAOYSA-N -1 3 512.227 4.926 40 0 KJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000409412385 1067129524 /nfs/dbraw/zinc/12/95/24/1067129524.db2.gz VVEUKJYDLCDECW-UHFFFAOYSA-N -1 3 572.492 4.598 40 0 KJABHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000409412435 1067129585 /nfs/dbraw/zinc/12/95/85/1067129585.db2.gz KEJNUPHDUQFYBN-UHFFFAOYSA-N -1 3 537.399 4.715 40 0 KJABHM CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2CC)c(C(=O)OCC)c1C ZINC000409412501 1066370092 /nfs/dbraw/zinc/37/00/92/1066370092.db2.gz PVQQXEIXXGWMJG-UHFFFAOYSA-N -1 3 597.513 4.887 40 0 KJABHM Cc1csc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)n1 ZINC000409412505 1067130211 /nfs/dbraw/zinc/13/02/11/1067130211.db2.gz QLWDJSRZXFBGTE-UHFFFAOYSA-N -1 3 502.419 4.898 40 0 KJABHM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000409412586 1066370046 /nfs/dbraw/zinc/37/00/46/1066370046.db2.gz YCDVVRNGUPPTGZ-NRFANRHFSA-N -1 3 529.684 4.514 40 0 KJABHM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000409412588 1067129618 /nfs/dbraw/zinc/12/96/18/1067129618.db2.gz YCDVVRNGUPPTGZ-OAQYLSRUSA-N -1 3 529.684 4.514 40 0 KJABHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000409412607 1067129468 /nfs/dbraw/zinc/12/94/68/1067129468.db2.gz UXGOGCIQUJCUBK-UHFFFAOYSA-N -1 3 550.482 4.843 40 0 KJABHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)NCCc1ccccc1 ZINC000409412627 1066369943 /nfs/dbraw/zinc/36/99/43/1066369943.db2.gz VLVMYTFGUODEAC-UHFFFAOYSA-N -1 3 509.429 4.853 40 0 KJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000409412637 1067129689 /nfs/dbraw/zinc/12/96/89/1067129689.db2.gz YVPDZAZQZAMBIP-UHFFFAOYSA-N -1 3 592.910 4.861 40 0 KJABHM COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)c1 ZINC000409412737 1067129678 /nfs/dbraw/zinc/12/96/78/1067129678.db2.gz ZVGYRUKZUQEULA-UHFFFAOYSA-N -1 3 597.447 4.706 40 0 KJABHM COc1cc([C@@H](CC(=O)NCCN2CCCC2=O)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138256 1067201126 /nfs/dbraw/zinc/20/11/26/1067201126.db2.gz DDPZSICSEYRECQ-BKMJKUGQSA-N -1 3 666.768 4.866 40 0 KJABHM COc1cc([C@H](CC(=O)NCCN2CCCC2=O)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138257 1067201236 /nfs/dbraw/zinc/20/12/36/1067201236.db2.gz DDPZSICSEYRECQ-NVQXNPDNSA-N -1 3 666.768 4.866 40 0 KJABHM COc1cc([C@@H](CC(=O)NCCCO)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138473 1067201759 /nfs/dbraw/zinc/20/17/59/1067201759.db2.gz MGQJBZJVTRUARG-GBXCKJPGSA-N -1 3 613.704 4.626 40 0 KJABHM COc1cc([C@H](CC(=O)NCCCO)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138476 1067201866 /nfs/dbraw/zinc/20/18/66/1067201866.db2.gz MGQJBZJVTRUARG-RDPSFJRHSA-N -1 3 613.704 4.626 40 0 KJABHM COc1cc([C@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138656 1067202390 /nfs/dbraw/zinc/20/23/90/1067202390.db2.gz DTLBEZQZDUYUGL-HOFKKMOUSA-N -1 3 743.810 4.947 40 0 KJABHM COc1cc([C@@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138660 1067202288 /nfs/dbraw/zinc/20/22/88/1067202288.db2.gz DTLBEZQZDUYUGL-WNCULLNHSA-N -1 3 743.810 4.947 40 0 KJABHM COc1cc([C@@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138763 1067202411 /nfs/dbraw/zinc/20/24/11/1067202411.db2.gz RHTVPOZNVVTTOL-NOQOKTLNSA-N -1 3 835.973 4.854 40 0 KJABHM COc1cc([C@H](CC(=O)NCCS(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138765 1067202553 /nfs/dbraw/zinc/20/25/53/1067202553.db2.gz RHTVPOZNVVTTOL-UYIPKLMTSA-N -1 3 835.973 4.854 40 0 KJABHM COc1cc([C@@H](CC(=O)NCC(OC)OC)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138931 1067202574 /nfs/dbraw/zinc/20/25/74/1067202574.db2.gz IEDQDGJSJLJWKV-GBXCKJPGSA-N -1 3 643.730 4.863 40 0 KJABHM COc1cc([C@H](CC(=O)NCC(OC)OC)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138933 1067203082 /nfs/dbraw/zinc/20/30/82/1067203082.db2.gz IEDQDGJSJLJWKV-RDPSFJRHSA-N -1 3 643.730 4.863 40 0 KJABHM COc1cc([C@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138996 1067203026 /nfs/dbraw/zinc/20/30/26/1067203026.db2.gz YBWUSBCARZLPNQ-CUNXSJBXSA-N -1 3 716.850 4.668 40 0 KJABHM COc1cc([C@@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138997 1067203135 /nfs/dbraw/zinc/20/31/35/1067203135.db2.gz YBWUSBCARZLPNQ-WXVAWEFUSA-N -1 3 716.850 4.668 40 0 KJABHM COc1cc([C@H](CC(=O)NCCN2CCOCC2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139135 1067203114 /nfs/dbraw/zinc/20/31/14/1067203114.db2.gz KGCDJYUOWGOYRX-HOFKKMOUSA-N -1 3 668.784 4.576 40 0 KJABHM COc1cc([C@@H](CC(=O)NCCN2CCOCC2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139136 1067203213 /nfs/dbraw/zinc/20/32/13/1067203213.db2.gz KGCDJYUOWGOYRX-WNCULLNHSA-N -1 3 668.784 4.576 40 0 KJABHM COc1cc([C@@H](CC(=O)NC[C@@H](C)O)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139232 1067203648 /nfs/dbraw/zinc/20/36/48/1067203648.db2.gz MFOYBZNTQXEULZ-JXALWOEJSA-N -1 3 613.704 4.624 40 0 KJABHM COc1cc([C@H](CC(=O)NC[C@@H](C)O)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139233 1067203575 /nfs/dbraw/zinc/20/35/75/1067203575.db2.gz MFOYBZNTQXEULZ-NMMYMHLASA-N -1 3 613.704 4.624 40 0 KJABHM COc1cc([C@@H](CC(=O)NCc2noc([C@@H]3CCC(=O)N3)n2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139602 1067203664 /nfs/dbraw/zinc/20/36/64/1067203664.db2.gz VHVOSXGJQUUVJU-AMDXRBSFSA-N -1 3 720.776 4.778 40 0 KJABHM COc1cc([C@@H](CC(=O)NCc2noc([C@H]3CCC(=O)N3)n2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139603 1067203561 /nfs/dbraw/zinc/20/35/61/1067203561.db2.gz VHVOSXGJQUUVJU-BUUDZMLXSA-N -1 3 720.776 4.778 40 0 KJABHM COc1cc([C@H](CC(=O)NCc2noc([C@H]3CCC(=O)N3)n2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139604 1067204129 /nfs/dbraw/zinc/20/41/29/1067204129.db2.gz VHVOSXGJQUUVJU-KSNOWIBYSA-N -1 3 720.776 4.778 40 0 KJABHM COc1cc([C@H](CC(=O)NCc2noc([C@@H]3CCC(=O)N3)n2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139605 1067204068 /nfs/dbraw/zinc/20/40/68/1067204068.db2.gz VHVOSXGJQUUVJU-OPXMRZJTSA-N -1 3 720.776 4.778 40 0 KJABHM COc1cc([C@H](CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139738 1067204088 /nfs/dbraw/zinc/20/40/88/1067204088.db2.gz ZEAPECFDQMYKPQ-DWACAAAGSA-N -1 3 731.799 4.981 40 0 KJABHM COc1cc([C@@H](CC(=O)NCC(=O)Nc2ccc(C(N)=O)cc2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547139739 1067204022 /nfs/dbraw/zinc/20/40/22/1067204022.db2.gz ZEAPECFDQMYKPQ-RBISFHTESA-N -1 3 731.799 4.981 40 0 KJABHM COc1ccc([C@H](CC(=O)NCCCO)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547206046 1067204077 /nfs/dbraw/zinc/20/40/77/1067204077.db2.gz OYZPJNVDXHENDG-CPJSRVTESA-N -1 3 553.652 4.609 40 0 KJABHM COc1ccc([C@@H](CC(=O)NCCCO)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547206047 1067204037 /nfs/dbraw/zinc/20/40/37/1067204037.db2.gz OYZPJNVDXHENDG-NBGIEHNGSA-N -1 3 553.652 4.609 40 0 KJABHM COc1ccc([C@H](CC(=O)NCCN2CCOCC2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547206337 1067204583 /nfs/dbraw/zinc/20/45/83/1067204583.db2.gz JPOJRWFIXXNEBL-FIPFOOKPSA-N -1 3 608.732 4.559 40 0 KJABHM COc1ccc([C@@H](CC(=O)NCCN2CCOCC2)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547206339 1067204621 /nfs/dbraw/zinc/20/46/21/1067204621.db2.gz JPOJRWFIXXNEBL-NEKDWFFYSA-N -1 3 608.732 4.559 40 0 KJABHM COc1ccc([C@H](CC(=O)NCC(OC)OC)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208837 1067204493 /nfs/dbraw/zinc/20/44/93/1067204493.db2.gz HJMTZLPWFFIKES-CPJSRVTESA-N -1 3 583.678 4.845 40 0 KJABHM COc1ccc([C@@H](CC(=O)NCC(OC)OC)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547208838 1067204647 /nfs/dbraw/zinc/20/46/47/1067204647.db2.gz HJMTZLPWFFIKES-NBGIEHNGSA-N -1 3 583.678 4.845 40 0 KJABHM COc1ccc([C@@H](CC(=O)NC[C@@H](C)O)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547212404 1067205553 /nfs/dbraw/zinc/20/55/53/1067205553.db2.gz KFRMPUBDZGQYSF-OHUGHZGNSA-N -1 3 553.652 4.607 40 0 KJABHM COc1ccc([C@H](CC(=O)NC[C@@H](C)O)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc1 ZINC001547212405 1067205283 /nfs/dbraw/zinc/20/52/83/1067205283.db2.gz KFRMPUBDZGQYSF-RNHFSVANSA-N -1 3 553.652 4.607 40 0 KJABHM