smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc2c(c1)C(=O)N(c1ccccc1[O-])C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O ZINC000000865534 551552344 /nfs/dbraw/zinc/55/23/44/551552344.db2.gz PBHXDSQOYKBFAU-UHFFFAOYSA-N -1 3 504.454 3.930 40 0 KHABHM COc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)CC1 ZINC000001324724 551642548 /nfs/dbraw/zinc/64/25/48/551642548.db2.gz FMHCEHCJCCNTBD-UHFFFAOYSA-N -1 3 500.603 3.889 40 0 KHABHM COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)cc1OC ZINC000001324727 551642585 /nfs/dbraw/zinc/64/25/85/551642585.db2.gz WEPJQYCKLUVUGC-UHFFFAOYSA-N -1 3 530.629 3.897 40 0 KHABHM COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)cc1 ZINC000001324742 551642578 /nfs/dbraw/zinc/64/25/78/551642578.db2.gz FPJGXKBUPSGPNM-UHFFFAOYSA-N -1 3 500.603 3.889 40 0 KHABHM COc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)c1 ZINC000001324750 551642589 /nfs/dbraw/zinc/64/25/89/551642589.db2.gz QNAMPGQOCAERJB-UHFFFAOYSA-N -1 3 500.603 3.889 40 0 KHABHM COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000001325019 551642520 /nfs/dbraw/zinc/64/25/20/551642520.db2.gz NCTXWOCQKAMJFV-UHFFFAOYSA-N -1 3 513.385 3.898 40 0 KHABHM COc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)CC2)c1 ZINC000001325022 551642528 /nfs/dbraw/zinc/64/25/28/551642528.db2.gz JRJGNUCQMSGYPH-UHFFFAOYSA-N -1 3 513.385 3.898 40 0 KHABHM COc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)CC1 ZINC000001325049 551642525 /nfs/dbraw/zinc/64/25/25/551642525.db2.gz NTOVMGLEXBPMCH-UHFFFAOYSA-N -1 3 513.385 3.898 40 0 KHABHM COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000001325071 551642505 /nfs/dbraw/zinc/64/25/05/551642505.db2.gz HXLJGHARAIIBRU-UHFFFAOYSA-N -1 3 513.385 3.898 40 0 KHABHM COc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[n-]3)CC2)c1 ZINC000001325073 551642511 /nfs/dbraw/zinc/64/25/11/551642511.db2.gz QRHDAYYDPVMBBE-UHFFFAOYSA-N -1 3 513.385 3.898 40 0 KHABHM O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cc(=O)[n-]c(=O)[nH]1)c1cnc2ccccc2c1 ZINC000001342095 551646979 /nfs/dbraw/zinc/64/69/79/551646979.db2.gz XIRJEQLBDFGYEV-VWLOTQADSA-N -1 3 515.545 3.588 40 0 KHABHM O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cc(=O)[n-]c(=O)[nH]1)c1cnc2ccccc2c1 ZINC000001342101 551647050 /nfs/dbraw/zinc/64/70/50/551647050.db2.gz XIRJEQLBDFGYEV-RUZDIDTESA-N -1 3 515.545 3.588 40 0 KHABHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2c(=O)n1NC(=O)CNc1ccccc1Cl ZINC000001651072 551687906 /nfs/dbraw/zinc/68/79/06/551687906.db2.gz NXZCMAIRSLSCGG-UHFFFAOYSA-N -1 3 532.409 3.995 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(I)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002163960 551781358 /nfs/dbraw/zinc/78/13/58/551781358.db2.gz DUMDWXZPCOKGOK-OLROSQPISA-N -1 3 580.831 3.762 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(I)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002163966 551781374 /nfs/dbraw/zinc/78/13/74/551781374.db2.gz DUMDWXZPCOKGOK-ZMUHTPIZSA-N -1 3 580.831 3.762 40 0 KHABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000002429476 552117554 /nfs/dbraw/zinc/11/75/54/552117554.db2.gz OQJYFRXZUDHKGP-GSDHBNRESA-N -1 3 524.533 3.699 40 0 KHABHM O=C1Nc2ccc(-c3ccc(Cl)cc3)cc2C(=O)N2CC[C@H]([N-]S(=O)(=O)c3cccs3)C[C@@H]12 ZINC000003840436 291822196 /nfs/dbraw/zinc/82/21/96/291822196.db2.gz NGZYOUIQMAYPOX-PXNSSMCTSA-N -1 3 502.017 3.972 40 0 biogenic,in-vitro KHABHM CCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)nc1-c1n[n-]c(=O)c2nn(-c3ccc(C)cc3)c(C)c21 ZINC000003850646 552420514 /nfs/dbraw/zinc/42/05/14/552420514.db2.gz AXRXAPMEYQLDTJ-UHFFFAOYSA-N -1 3 503.950 3.991 40 0 KHABHM O=C([O-])[C@H]1O[C@@H](Oc2ccc3c(c2)sc(-c2ccc(O)cc2)c3C(=O)c2ccc(OCCN3CCCCC3)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000003946392 552423350 /nfs/dbraw/zinc/42/33/50/552423350.db2.gz MZPMSLSINDGEPM-WKRHDJAJSA-N -1 3 649.718 3.641 40 0 in-vitro KHABHM O=C([O-])[C@H]1O[C@@H](Oc2ccc(-c3sc4cc(O)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000003946393 552423317 /nfs/dbraw/zinc/42/33/17/552423317.db2.gz VHXYPEXOSLGZKH-WKRHDJAJSA-N -1 3 649.718 3.641 40 0 KHABHM CC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc([N-]S(=O)(=O)c3cccs3)c2=O)cc1 ZINC000004150090 552443199 /nfs/dbraw/zinc/44/31/99/552443199.db2.gz IDLYSZPJJRNLRU-FUHWJXTLSA-N -1 3 512.613 3.564 40 0 biogenic,in-vitro KHABHM O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@@H]2[C@@H]([N-]S(=O)(=O)c3cccs3)CO[C@H]12 ZINC000004235552 552451518 /nfs/dbraw/zinc/45/15/18/552451518.db2.gz SCOYZYDDIZVFFL-YVNJGZBMSA-N -1 3 502.570 3.602 40 0 biogenic,in-vitro KHABHM O=C(NC1CCCCC1)OC[C@@H]1O[C@H](n2cnc3c2nc[n-]c3=O)[C@@H](OC(=O)NC2CCCCC2)[C@@H]1OC(=O)NC1CCCCC1 ZINC000004429707 552461088 /nfs/dbraw/zinc/46/10/88/552461088.db2.gz XLQBBKKIFIIJJI-AUPQMISCSA-N -1 3 643.742 3.931 40 0 KHABHM O=C(NC1CCCCC1)OC[C@@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@@H](OC(=O)NC2CCCCC2)[C@@H]1OC(=O)NC1CCCCC1 ZINC000004429708 552461083 /nfs/dbraw/zinc/46/10/83/552461083.db2.gz XLQBBKKIFIIJJI-DWIHMJRXSA-N -1 3 643.742 3.931 40 0 KHABHM O=C(Nc1nc2c(ncn2[C@@H]2C[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O2)c(=O)[n-]1)c1ccccc1 ZINC000004887499 552488619 /nfs/dbraw/zinc/48/86/19/552488619.db2.gz HXLPIODNCVXLAK-HJOGWXRNSA-N -1 3 579.569 3.742 40 0 KHABHM O=C(Nc1nc2c(ncn2[C@H]2C[C@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O2)c(=O)[n-]1)c1ccccc1 ZINC000004887500 552488548 /nfs/dbraw/zinc/48/85/48/552488548.db2.gz HXLPIODNCVXLAK-KMDXXIMOSA-N -1 3 579.569 3.742 40 0 KHABHM O=C(Nc1nc2c(ncn2[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O2)c(=O)[n-]1)c1ccccc1 ZINC000004887501 552488846 /nfs/dbraw/zinc/48/88/46/552488846.db2.gz HXLPIODNCVXLAK-SGNDLWITSA-N -1 3 579.569 3.742 40 0 KHABHM O=C(Nc1nc2c(ncn2[C@H]2C[C@@H](OC(=O)c3ccccc3)[C@H](COC(=O)c3ccccc3)O2)c(=O)[n-]1)c1ccccc1 ZINC000004887503 552488806 /nfs/dbraw/zinc/48/88/06/552488806.db2.gz HXLPIODNCVXLAK-TZRRMPRUSA-N -1 3 579.569 3.742 40 0 KHABHM Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C(F)(F)F)c(=O)[n-]c3=O)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000004921514 552489793 /nfs/dbraw/zinc/48/97/93/552489793.db2.gz QFTZSUBIJAWRPF-NJDAHSKKSA-N -1 3 532.471 3.542 40 0 KHABHM Cc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cc(C(F)(F)F)c(=O)[n-]c3=O)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000004921519 552489852 /nfs/dbraw/zinc/48/98/52/552489852.db2.gz QFTZSUBIJAWRPF-QHAWAJNXSA-N -1 3 532.471 3.542 40 0 KHABHM Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C(F)(F)F)c(=O)[n-]c3=O)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000004921521 552489879 /nfs/dbraw/zinc/48/98/79/552489879.db2.gz QFTZSUBIJAWRPF-PWRODBHTSA-N -1 3 532.471 3.542 40 0 KHABHM Cc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cc(C(F)(F)F)c(=O)[n-]c3=O)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000004921527 552489749 /nfs/dbraw/zinc/48/97/49/552489749.db2.gz QFTZSUBIJAWRPF-PCCBWWKXSA-N -1 3 532.471 3.542 40 0 KHABHM CCOC(=O)c1cc([O-])cc(=O)n1[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000004964064 552490564 /nfs/dbraw/zinc/49/05/64/552490564.db2.gz FVWZLJLVMJAHEZ-XQVPNCLKSA-N -1 3 627.602 3.936 40 0 KHABHM CCOC(=O)c1cc([O-])cc(=O)n1[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000004964065 552490496 /nfs/dbraw/zinc/49/04/96/552490496.db2.gz FVWZLJLVMJAHEZ-ZJRZZCDQSA-N -1 3 627.602 3.936 40 0 KHABHM CCOC(=O)c1cc([O-])cc(=O)n1[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000004964067 552490544 /nfs/dbraw/zinc/49/05/44/552490544.db2.gz FVWZLJLVMJAHEZ-FAPGNOQXSA-N -1 3 627.602 3.936 40 0 KHABHM CCOC(=O)c1cc([O-])cc(=O)n1[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000004964071 552490535 /nfs/dbraw/zinc/49/05/35/552490535.db2.gz FVWZLJLVMJAHEZ-UZFGVPKDSA-N -1 3 627.602 3.936 40 0 KHABHM O=S(=O)(Cc1ccccc1)[N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000005434216 552501988 /nfs/dbraw/zinc/50/19/88/552501988.db2.gz CRWCUWSYZCRDFC-YVHASNINSA-N -1 3 528.634 3.877 40 0 biogenic,in-vitro KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2c1nnn2Cc1cccc(Cl)c1 ZINC000006161747 552554418 /nfs/dbraw/zinc/55/44/18/552554418.db2.gz LHBWRSDIBSBLDO-UHFFFAOYSA-N -1 3 552.966 3.803 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2c1nnn2Cc1cccc(Cl)c1 ZINC000006161748 552554424 /nfs/dbraw/zinc/55/44/24/552554424.db2.gz PSBGUHJTGGPYKW-UHFFFAOYSA-N -1 3 552.966 3.803 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)nc2c1nnn2Cc1cccc(Cl)c1 ZINC000006161749 552554449 /nfs/dbraw/zinc/55/44/49/552554449.db2.gz ZODCVVBMHNFXDD-UHFFFAOYSA-N -1 3 535.029 3.938 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2c1nnn2Cc1cccc(Cl)c1 ZINC000006161750 552554334 /nfs/dbraw/zinc/55/43/34/552554334.db2.gz KQCCQJREOGRVKA-UHFFFAOYSA-N -1 3 535.029 3.938 40 0 KHABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC2)[n-]c3=O)c1 ZINC000006161758 552554340 /nfs/dbraw/zinc/55/43/40/552554340.db2.gz NFGPQDXSWIYHRY-UHFFFAOYSA-N -1 3 546.575 3.767 40 0 KHABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4cccc5ccccc54)CC2)[n-]c3=O)c1 ZINC000006161759 552554368 /nfs/dbraw/zinc/55/43/68/552554368.db2.gz QTFOCIZLPYOCOJ-UHFFFAOYSA-N -1 3 528.638 3.901 40 0 KHABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4cccc5ccccc54)CC2)[n-]c3=O)cc1 ZINC000006161770 552554350 /nfs/dbraw/zinc/55/43/50/552554350.db2.gz PMBNBXIDKVANHN-UHFFFAOYSA-N -1 3 514.611 3.593 40 0 KHABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(F)cc4)CC2)[n-]c3=O)cc1 ZINC000006161785 552554580 /nfs/dbraw/zinc/55/45/80/552554580.db2.gz KKOUWIYDIOVOPS-UHFFFAOYSA-N -1 3 524.622 3.980 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006161793 552554698 /nfs/dbraw/zinc/55/46/98/552554698.db2.gz VSLYIFUUTGLEFN-UHFFFAOYSA-N -1 3 536.511 3.701 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006161794 552554612 /nfs/dbraw/zinc/55/46/12/552554612.db2.gz CGPNFQFXHBHRBZ-UHFFFAOYSA-N -1 3 518.574 3.836 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc2c1nnn2Cc1ccccc1Cl ZINC000006161803 552554592 /nfs/dbraw/zinc/55/45/92/552554592.db2.gz HJYJZJPRIQSDFJ-UHFFFAOYSA-N -1 3 519.414 3.850 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2c1nnn2Cc1ccccc1Cl ZINC000006161804 552554626 /nfs/dbraw/zinc/55/46/26/552554626.db2.gz VRQQKNHKAXYONY-UHFFFAOYSA-N -1 3 552.966 3.803 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)nc2c1nnn2Cc1ccccc1Cl ZINC000006161805 552554654 /nfs/dbraw/zinc/55/46/54/552554654.db2.gz NSJGYPLOVGKJCV-UHFFFAOYSA-N -1 3 535.029 3.938 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2c1nnn2Cc1ccccc1Cl ZINC000006161806 552554605 /nfs/dbraw/zinc/55/46/05/552554605.db2.gz FOMPJDRZXYGLBB-UHFFFAOYSA-N -1 3 535.029 3.938 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1nnn2Cc1ccc(Cl)cc1Cl ZINC000006161818 552554533 /nfs/dbraw/zinc/55/45/33/552554533.db2.gz OUHGEEURUMLPJU-UHFFFAOYSA-N -1 3 519.414 3.850 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000006161828 552554543 /nfs/dbraw/zinc/55/45/43/552554543.db2.gz ONWQZZLXFHWZJF-UHFFFAOYSA-N -1 3 500.584 3.697 40 0 KHABHM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)c3cccc4ccccc43)C2)nc2c1nnn2Cc1cccc(Cl)c1 ZINC000006161845 552554940 /nfs/dbraw/zinc/55/49/40/552554940.db2.gz FIIAOWJVEZUBHK-LJQANCHMSA-N -1 3 535.029 3.938 40 0 KHABHM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)c3cccc4ccccc43)C2)nc2c1nnn2Cc1cccc(Cl)c1 ZINC000006161846 552554946 /nfs/dbraw/zinc/55/49/46/552554946.db2.gz FIIAOWJVEZUBHK-IBGZPJMESA-N -1 3 535.029 3.938 40 0 KHABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4cccc5ccccc54)C2)[n-]c3=O)cc1 ZINC000006161874 552554906 /nfs/dbraw/zinc/55/49/06/552554906.db2.gz BVDCXESOBMXEHU-NRFANRHFSA-N -1 3 514.611 3.593 40 0 KHABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4cccc5ccccc54)C2)[n-]c3=O)cc1 ZINC000006161875 552554943 /nfs/dbraw/zinc/55/49/43/552554943.db2.gz BVDCXESOBMXEHU-OAQYLSRUSA-N -1 3 514.611 3.593 40 0 KHABHM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)c3cccc4ccccc43)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006161900 552554910 /nfs/dbraw/zinc/55/49/10/552554910.db2.gz GYOFVUXCZLSZMR-LJQANCHMSA-N -1 3 518.574 3.836 40 0 KHABHM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)c3cccc4ccccc43)C2)nc2c1nnn2Cc1ccc(F)cc1 ZINC000006161901 552554920 /nfs/dbraw/zinc/55/49/20/552554920.db2.gz GYOFVUXCZLSZMR-IBGZPJMESA-N -1 3 518.574 3.836 40 0 KHABHM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc2c1nnn2Cc1ccccc1Cl ZINC000006161918 552554933 /nfs/dbraw/zinc/55/49/33/552554933.db2.gz IQMGWRRSCITUOH-HNNXBMFYSA-N -1 3 519.414 3.850 40 0 KHABHM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)nc2c1nnn2Cc1ccccc1Cl ZINC000006161919 552554914 /nfs/dbraw/zinc/55/49/14/552554914.db2.gz IQMGWRRSCITUOH-OAHLLOKOSA-N -1 3 519.414 3.850 40 0 KHABHM O=c1[n-]c([C@@H]2CCCN(S(=O)(=O)c3cccc4ccccc43)C2)nc2c1nnn2Cc1ccccc1Cl ZINC000006161922 552554901 /nfs/dbraw/zinc/55/49/01/552554901.db2.gz QKLAJNRZHNQUNF-LJQANCHMSA-N -1 3 535.029 3.938 40 0 KHABHM O=c1[n-]c([C@H]2CCCN(S(=O)(=O)c3cccc4ccccc43)C2)nc2c1nnn2Cc1ccccc1Cl ZINC000006161923 552554935 /nfs/dbraw/zinc/55/49/35/552554935.db2.gz QKLAJNRZHNQUNF-IBGZPJMESA-N -1 3 535.029 3.938 40 0 KHABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC2)[n-]c3=O)c1 ZINC000006173113 552558599 /nfs/dbraw/zinc/55/85/99/552558599.db2.gz DSNITGJOPUQCDH-UHFFFAOYSA-N -1 3 562.574 3.647 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc2c1nnn2Cc1ccccc1Cl ZINC000006173117 552558591 /nfs/dbraw/zinc/55/85/91/552558591.db2.gz ZUBZLRLKIAMBST-UHFFFAOYSA-N -1 3 568.965 3.683 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2c1nnn2Cc1cccc(F)c1 ZINC000006173214 552558919 /nfs/dbraw/zinc/55/89/19/552558919.db2.gz OOXRYXVVBFTAJZ-UHFFFAOYSA-N -1 3 536.511 3.701 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000006173216 552559011 /nfs/dbraw/zinc/55/90/11/552559011.db2.gz HDSKKFXCAYXEAF-UHFFFAOYSA-N -1 3 570.956 3.943 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000006173217 552558931 /nfs/dbraw/zinc/55/89/31/552558931.db2.gz YQUURJCNUDJFEV-UHFFFAOYSA-N -1 3 570.956 3.943 40 0 KHABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000008741605 553132740 /nfs/dbraw/zinc/13/27/40/553132740.db2.gz NYIWAIRPVICZMQ-GVAUOCQISA-N -1 3 502.523 3.932 40 0 KHABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccnn2C)cc1 ZINC000009233563 553224369 /nfs/dbraw/zinc/22/43/69/553224369.db2.gz MEHWUOBAAVYLLW-NXCFDTQHSA-N -1 3 508.534 3.999 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000009694812 553299908 /nfs/dbraw/zinc/29/99/08/553299908.db2.gz QBXUAVCNGPGXKG-UHFFFAOYSA-N -1 3 516.645 3.599 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)cc1C ZINC000009694813 553299860 /nfs/dbraw/zinc/29/98/60/553299860.db2.gz VQRRSHXZOYRBDM-UHFFFAOYSA-N -1 3 516.645 3.599 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)c(C)c1 ZINC000009694817 553299871 /nfs/dbraw/zinc/29/98/71/553299871.db2.gz LIDASQOMDSADJX-UHFFFAOYSA-N -1 3 516.645 3.599 40 0 KHABHM CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000009694819 553299944 /nfs/dbraw/zinc/29/99/44/553299944.db2.gz JDCVSOKDSXHGEH-UHFFFAOYSA-N -1 3 523.036 3.636 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)cc2)cc1 ZINC000010313859 553332476 /nfs/dbraw/zinc/33/24/76/553332476.db2.gz ZTHJKQNNNJZCMF-UHFFFAOYSA-N -1 3 503.602 3.818 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)cc1 ZINC000010314800 553332899 /nfs/dbraw/zinc/33/28/99/553332899.db2.gz IIAIEUPVKUGELU-UHFFFAOYSA-N -1 3 503.602 3.818 40 0 KHABHM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)cc1OC ZINC000010315225 553333239 /nfs/dbraw/zinc/33/32/39/553333239.db2.gz VZEJLZYKLJCRBI-UHFFFAOYSA-N -1 3 511.600 3.609 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)cc2)cc1 ZINC000010334434 553334461 /nfs/dbraw/zinc/33/44/61/553334461.db2.gz DIVZUZKNTIATCU-UHFFFAOYSA-N -1 3 503.602 3.818 40 0 KHABHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc(S(=O)(=O)N3CCCCC3)ccc1N1CCCCC1)C(=O)C2 ZINC000012563962 553396055 /nfs/dbraw/zinc/39/60/55/553396055.db2.gz ALLXTOGAOLYBRM-FQRUVTKNSA-N -1 3 537.748 3.989 40 0 KHABHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(S(=O)(=O)N3CCCCC3)ccc1N1CCCCC1)C(=O)C2 ZINC000012563964 553396006 /nfs/dbraw/zinc/39/60/06/553396006.db2.gz ALLXTOGAOLYBRM-FNZWTVRRSA-N -1 3 537.748 3.989 40 0 KHABHM COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)CC2)cc1OC ZINC000013083110 553445174 /nfs/dbraw/zinc/44/51/74/553445174.db2.gz PQKTUYCAUZQDER-UHFFFAOYSA-N -1 3 508.966 3.666 40 0 KHABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccccc4)CC2)[n-]c3=O)cc1 ZINC000013083134 553445150 /nfs/dbraw/zinc/44/51/50/553445150.db2.gz VTIFLMTZJKQSQU-UHFFFAOYSA-N -1 3 506.632 3.841 40 0 KHABHM COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[n-]3)CC2)cc1OC ZINC000013083176 553445213 /nfs/dbraw/zinc/44/52/13/553445213.db2.gz JSRJVNKEWRPKLP-UHFFFAOYSA-N -1 3 508.966 3.666 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1nnn2Cc1c(Cl)cccc1Cl ZINC000013083200 553445199 /nfs/dbraw/zinc/44/51/99/553445199.db2.gz NYZRKKOHACXEEX-UHFFFAOYSA-N -1 3 519.414 3.850 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000013083245 553445224 /nfs/dbraw/zinc/44/52/24/553445224.db2.gz OARPUEJRICVWKB-UHFFFAOYSA-N -1 3 518.521 3.562 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000013083247 553445179 /nfs/dbraw/zinc/44/51/79/553445179.db2.gz OLDMFENRMOGUAS-UHFFFAOYSA-N -1 3 518.521 3.562 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)nc2c1nnn2Cc1ccccc1 ZINC000013083259 553445129 /nfs/dbraw/zinc/44/51/29/553445129.db2.gz IGZODYCNLUPEHO-UHFFFAOYSA-N -1 3 500.584 3.697 40 0 KHABHM COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)C2)cc1OC ZINC000013083312 553445209 /nfs/dbraw/zinc/44/52/09/553445209.db2.gz SJNBHKMIWWVVNV-QGZVFWFLSA-N -1 3 508.966 3.666 40 0 KHABHM COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)C2)cc1OC ZINC000013083313 553445134 /nfs/dbraw/zinc/44/51/34/553445134.db2.gz SJNBHKMIWWVVNV-KRWDZBQOSA-N -1 3 508.966 3.666 40 0 KHABHM COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[n-]3)C2)cc1OC ZINC000013083545 553445250 /nfs/dbraw/zinc/44/52/50/553445250.db2.gz RDFKRFDIQRFROP-QGZVFWFLSA-N -1 3 508.966 3.666 40 0 KHABHM COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[n-]3)C2)cc1OC ZINC000013083547 553445259 /nfs/dbraw/zinc/44/52/59/553445259.db2.gz RDFKRFDIQRFROP-KRWDZBQOSA-N -1 3 508.966 3.666 40 0 KHABHM CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)CC)cc3)o2)cc1OC ZINC000013151214 553456848 /nfs/dbraw/zinc/45/68/48/553456848.db2.gz VDHIXDCBGBYNEY-UHFFFAOYSA-N -1 3 504.590 3.830 40 0 KHABHM CCC(=O)Nc1cc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)CC)cc3)o2)ccc1C ZINC000013496144 553463868 /nfs/dbraw/zinc/46/38/68/553463868.db2.gz WDRVNWGPQQDCQO-UHFFFAOYSA-N -1 3 503.606 3.886 40 0 KHABHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC000013496152 553463907 /nfs/dbraw/zinc/46/39/07/553463907.db2.gz HHAFMFPVRAANAN-UHFFFAOYSA-N -1 3 510.619 3.694 40 0 KHABHM CN(C(=O)CSc1nnc(-c2ccc([N-]S(C)(=O)=O)cc2)o1)c1nc(-c2ccccc2)cs1 ZINC000013496163 553463814 /nfs/dbraw/zinc/46/38/14/553463814.db2.gz FGQFUSUQGMOBHD-UHFFFAOYSA-N -1 3 501.615 3.987 40 0 KHABHM CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccc([N-]S(C)(=O)=O)cc4)o3)sc2c1 ZINC000013496165 553463895 /nfs/dbraw/zinc/46/38/95/553463895.db2.gz HGKCZGHURDLSES-UHFFFAOYSA-N -1 3 505.603 3.847 40 0 KHABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccnn2C)cc1 ZINC000013787563 553490753 /nfs/dbraw/zinc/49/07/53/553490753.db2.gz MEHWUOBAAVYLLW-GSDHBNRESA-N -1 3 508.534 3.999 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000014153340 553503259 /nfs/dbraw/zinc/50/32/59/553503259.db2.gz SBDHTGDBTGTKSU-GOSISDBHSA-N -1 3 517.629 3.598 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000014153342 553503232 /nfs/dbraw/zinc/50/32/32/553503232.db2.gz SBDHTGDBTGTKSU-SFHVURJKSA-N -1 3 517.629 3.598 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1C ZINC000014153838 553503831 /nfs/dbraw/zinc/50/38/31/553503831.db2.gz AZSCZVRZLLESAO-LJQANCHMSA-N -1 3 501.630 3.897 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1C ZINC000014153840 553503811 /nfs/dbraw/zinc/50/38/11/553503811.db2.gz AZSCZVRZLLESAO-IBGZPJMESA-N -1 3 501.630 3.897 40 0 KHABHM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000014397465 553514862 /nfs/dbraw/zinc/51/48/62/553514862.db2.gz RDYMBMCEQWPJRI-UHFFFAOYSA-N -1 3 503.602 3.534 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)CC)cc3)cc2)cc1 ZINC000014400054 553515264 /nfs/dbraw/zinc/51/52/64/553515264.db2.gz MDMNYCMLXDVFDD-UHFFFAOYSA-N -1 3 517.629 3.924 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2c1nnn2Cc1ccccc1 ZINC000015987569 553549232 /nfs/dbraw/zinc/54/92/32/553549232.db2.gz TZBXWDRNNYUQFY-UHFFFAOYSA-N -1 3 518.521 3.562 40 0 KHABHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016293392 553559407 /nfs/dbraw/zinc/55/94/07/553559407.db2.gz MECALWZQICTNNF-UHFFFAOYSA-N -1 3 514.556 3.617 40 0 KHABHM CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000016681924 553572092 /nfs/dbraw/zinc/57/20/92/553572092.db2.gz GGUBOHXJUXIIGJ-UHFFFAOYSA-N -1 3 506.378 3.697 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000016682404 553572338 /nfs/dbraw/zinc/57/23/38/553572338.db2.gz VKYYINKLPBAFGQ-FJWZAKCXSA-N -1 3 513.015 3.945 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000016682405 553572383 /nfs/dbraw/zinc/57/23/83/553572383.db2.gz VKYYINKLPBAFGQ-RQLGBQGVSA-N -1 3 513.015 3.945 40 0 KHABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000018158303 553606626 /nfs/dbraw/zinc/60/66/26/553606626.db2.gz NYIWAIRPVICZMQ-DSITVLBTSA-N -1 3 502.523 3.932 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)cc1 ZINC000019856989 553628692 /nfs/dbraw/zinc/62/86/92/553628692.db2.gz HBHYRGANJIRKKX-UHFFFAOYSA-N -1 3 503.602 3.534 40 0 KHABHM COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000020009456 553655025 /nfs/dbraw/zinc/65/50/25/553655025.db2.gz KOMHRHSXUWDDJF-JOCHJYFZSA-N -1 3 503.020 3.606 40 0 KHABHM COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000020009459 553655111 /nfs/dbraw/zinc/65/51/11/553655111.db2.gz KOMHRHSXUWDDJF-QFIPXVFZSA-N -1 3 503.020 3.606 40 0 KHABHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1 ZINC000020009751 553654996 /nfs/dbraw/zinc/65/49/96/553654996.db2.gz QGIJSMUNQDZHJX-HXUWFJFHSA-N -1 3 504.992 3.894 40 0 KHABHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1 ZINC000020009754 553655031 /nfs/dbraw/zinc/65/50/31/553655031.db2.gz QGIJSMUNQDZHJX-FQEVSTJZSA-N -1 3 504.992 3.894 40 0 KHABHM COc1ccc(OC)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000020009757 553655016 /nfs/dbraw/zinc/65/50/16/553655016.db2.gz OGAQJXCGVXUHDF-HXUWFJFHSA-N -1 3 504.992 3.894 40 0 KHABHM COc1ccc(OC)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000020009761 553655135 /nfs/dbraw/zinc/65/51/35/553655135.db2.gz OGAQJXCGVXUHDF-FQEVSTJZSA-N -1 3 504.992 3.894 40 0 KHABHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000020009764 553654999 /nfs/dbraw/zinc/65/49/99/553654999.db2.gz XTDVQJBGJMOZNM-LJQANCHMSA-N -1 3 504.992 3.894 40 0 KHABHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000020009766 553655435 /nfs/dbraw/zinc/65/54/35/553655435.db2.gz XTDVQJBGJMOZNM-IBGZPJMESA-N -1 3 504.992 3.894 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020009775 553655473 /nfs/dbraw/zinc/65/54/73/553655473.db2.gz CGTCSZRHPMSAKE-IBGZPJMESA-N -1 3 502.976 3.648 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020009778 553655443 /nfs/dbraw/zinc/65/54/43/553655443.db2.gz CGTCSZRHPMSAKE-LJQANCHMSA-N -1 3 502.976 3.648 40 0 KHABHM COC(=O)c1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009805 553655493 /nfs/dbraw/zinc/65/54/93/553655493.db2.gz MFWSTCACEGLOSQ-HXUWFJFHSA-N -1 3 502.976 3.664 40 0 KHABHM COC(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009808 553655469 /nfs/dbraw/zinc/65/54/69/553655469.db2.gz MFWSTCACEGLOSQ-FQEVSTJZSA-N -1 3 502.976 3.664 40 0 KHABHM COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000020009811 553655405 /nfs/dbraw/zinc/65/54/05/553655405.db2.gz PDXOHVAMDAESNS-HXUWFJFHSA-N -1 3 502.976 3.664 40 0 KHABHM COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000020009814 553655418 /nfs/dbraw/zinc/65/54/18/553655418.db2.gz PDXOHVAMDAESNS-FQEVSTJZSA-N -1 3 502.976 3.664 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000020009840 553655423 /nfs/dbraw/zinc/65/54/23/553655423.db2.gz PUKKKWDTZKUENW-NRFANRHFSA-N -1 3 501.992 3.835 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000020009843 553655510 /nfs/dbraw/zinc/65/55/10/553655510.db2.gz PUKKKWDTZKUENW-OAQYLSRUSA-N -1 3 501.992 3.835 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000020009935 553655463 /nfs/dbraw/zinc/65/54/63/553655463.db2.gz ZYEJEUTYZQBJAR-NRFANRHFSA-N -1 3 501.992 3.835 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000020009938 553655456 /nfs/dbraw/zinc/65/54/56/553655456.db2.gz ZYEJEUTYZQBJAR-OAQYLSRUSA-N -1 3 501.992 3.835 40 0 KHABHM COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000020010044 553655607 /nfs/dbraw/zinc/65/56/07/553655607.db2.gz RCRJYDZBKVQIKM-HXUWFJFHSA-N -1 3 519.019 3.572 40 0 KHABHM COc1ccc(CNC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000020010047 553655709 /nfs/dbraw/zinc/65/57/09/553655709.db2.gz RCRJYDZBKVQIKM-FQEVSTJZSA-N -1 3 519.019 3.572 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000020020351 553660870 /nfs/dbraw/zinc/66/08/70/553660870.db2.gz XRQVRMMKAHDBSL-KRWDZBQOSA-N -1 3 500.573 3.769 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000020020354 553661038 /nfs/dbraw/zinc/66/10/38/553661038.db2.gz XRQVRMMKAHDBSL-QGZVFWFLSA-N -1 3 500.573 3.769 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000020020505 553660975 /nfs/dbraw/zinc/66/09/75/553660975.db2.gz FLERSEVKTWHPTC-UHFFFAOYSA-N -1 3 500.573 3.599 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(OC)c(OC)c3)cc2)cc1Cl ZINC000020020970 553661544 /nfs/dbraw/zinc/66/15/44/553661544.db2.gz XYJFXGOZMOFJPL-UHFFFAOYSA-N -1 3 520.991 3.862 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(OC)c(OC)c3)c(C)c2)cc1 ZINC000020022534 553662172 /nfs/dbraw/zinc/66/21/72/553662172.db2.gz NRGVRVYOJSITBJ-UHFFFAOYSA-N -1 3 514.600 3.907 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(OC)c(OC)c3)c(Cl)c2)cc1 ZINC000020023301 553662516 /nfs/dbraw/zinc/66/25/16/553662516.db2.gz PHOKELLVXOBPAC-UHFFFAOYSA-N -1 3 520.991 3.862 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000020048311 553670520 /nfs/dbraw/zinc/67/05/20/553670520.db2.gz LRFJVJANGODNCL-UHFFFAOYSA-N -1 3 513.641 3.974 40 0 KHABHM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)S(C)(=O)=O ZINC000020060698 553672130 /nfs/dbraw/zinc/67/21/30/553672130.db2.gz KVQJLGIKFNWIKM-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000020060699 553672225 /nfs/dbraw/zinc/67/22/25/553672225.db2.gz JMZIFMHMBDCPSP-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000020060727 553672108 /nfs/dbraw/zinc/67/21/08/553672108.db2.gz QBXIKAYHEANOEA-UHFFFAOYSA-N -1 3 501.630 3.817 40 0 KHABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000020060775 553672501 /nfs/dbraw/zinc/67/25/01/553672501.db2.gz LVZMMEIXLSBFRP-UHFFFAOYSA-N -1 3 501.630 3.817 40 0 KHABHM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000020060813 553672704 /nfs/dbraw/zinc/67/27/04/553672704.db2.gz QVHSKBOGVCTSAD-UHFFFAOYSA-N -1 3 501.630 3.817 40 0 KHABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000020060855 553673040 /nfs/dbraw/zinc/67/30/40/553673040.db2.gz BGAXXKNHQGACBK-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C ZINC000020060874 553673208 /nfs/dbraw/zinc/67/32/08/553673208.db2.gz KHLZPAPIAJVXDI-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)c1 ZINC000020060887 553673257 /nfs/dbraw/zinc/67/32/57/553673257.db2.gz HLUURAIQIOSGDR-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000020060901 553673233 /nfs/dbraw/zinc/67/32/33/553673233.db2.gz HQGDDHDNKOBTFJ-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1)S(C)(=O)=O ZINC000020060905 553673246 /nfs/dbraw/zinc/67/32/46/553673246.db2.gz MGDYMWZUXDFFIT-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000020060921 553673477 /nfs/dbraw/zinc/67/34/77/553673477.db2.gz IUZIIBOFVCZUKZ-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000020060940 553673527 /nfs/dbraw/zinc/67/35/27/553673527.db2.gz FEAQRACQWOZUMT-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000020060965 553673475 /nfs/dbraw/zinc/67/34/75/553673475.db2.gz MVNHNBBWAVUAMJ-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000020060971 553673486 /nfs/dbraw/zinc/67/34/86/553673486.db2.gz DAODAJWOLUUMQQ-UHFFFAOYSA-N -1 3 501.630 3.817 40 0 KHABHM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000020060978 553673763 /nfs/dbraw/zinc/67/37/63/553673763.db2.gz QQSPEPCHWQNOHT-UHFFFAOYSA-N -1 3 501.630 3.817 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)cc1 ZINC000020060999 553673783 /nfs/dbraw/zinc/67/37/83/553673783.db2.gz QHQYRJIXLUKDKK-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1C ZINC000020061013 553673725 /nfs/dbraw/zinc/67/37/25/553673725.db2.gz IRGKLLPAQKROPV-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020061032 553673999 /nfs/dbraw/zinc/67/39/99/553673999.db2.gz BWTBCXBAKJHRTD-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000020061036 553673920 /nfs/dbraw/zinc/67/39/20/553673920.db2.gz PSVMGQLGGDJYJX-UHFFFAOYSA-N -1 3 511.984 3.685 40 0 KHABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000020061084 553674023 /nfs/dbraw/zinc/67/40/23/553674023.db2.gz KCHGBTBCTZNQMC-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)c1 ZINC000020061102 553674309 /nfs/dbraw/zinc/67/43/09/553674309.db2.gz HFVDZOCPLRZNOX-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000020061107 553674224 /nfs/dbraw/zinc/67/42/24/553674224.db2.gz HULNHYCUHRQXOD-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)c1C ZINC000020061126 553674166 /nfs/dbraw/zinc/67/41/66/553674166.db2.gz YWZMTXHGKQHIKN-UHFFFAOYSA-N -1 3 505.593 3.648 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)cc1C ZINC000020061166 553674476 /nfs/dbraw/zinc/67/44/76/553674476.db2.gz KSSNBLMBYNMZKT-UHFFFAOYSA-N -1 3 501.630 3.817 40 0 KHABHM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000020061203 553674754 /nfs/dbraw/zinc/67/47/54/553674754.db2.gz WXIHYUXQQBFDCU-UHFFFAOYSA-N -1 3 505.593 3.594 40 0 KHABHM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000020061225 553674767 /nfs/dbraw/zinc/67/47/67/553674767.db2.gz PEGYGUZCHGICMC-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020454120 553652203 /nfs/dbraw/zinc/65/22/03/553652203.db2.gz YCVHSESKQYVSNS-UHFFFAOYSA-N -1 3 520.032 3.594 40 0 KHABHM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020456804 553653580 /nfs/dbraw/zinc/65/35/80/553653580.db2.gz HFKOLVBMTCAKNN-UHFFFAOYSA-N -1 3 502.932 3.966 40 0 KHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020460693 553655535 /nfs/dbraw/zinc/65/55/35/553655535.db2.gz BIZJBNMKTKEZAM-UHFFFAOYSA-N -1 3 517.604 3.804 40 0 KHABHM O=C([O-])C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000020463349 291821694 /nfs/dbraw/zinc/82/16/94/291821694.db2.gz ZYVFTORYQYCNAG-GOTSBHOMSA-N -1 3 504.631 3.539 40 0 biogenic,in-vitro KHABHM O=C([O-])C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000020463360 553656768 /nfs/dbraw/zinc/65/67/68/553656768.db2.gz HUFWUDNVGLHKFE-SFTDATJTSA-N -1 3 511.667 3.812 40 0 biogenic,in-vitro KHABHM O=C([O-])C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 ZINC000020463412 291822002 /nfs/dbraw/zinc/82/20/02/291822002.db2.gz XILVLSKAWZCYJF-SFTDATJTSA-N -1 3 504.553 3.866 40 0 biogenic,in-vitro KHABHM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020494923 553667392 /nfs/dbraw/zinc/66/73/92/553667392.db2.gz TYQCHNJYSUCHCW-UHFFFAOYSA-N -1 3 514.003 3.828 40 0 KHABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022227925 553727650 /nfs/dbraw/zinc/72/76/50/553727650.db2.gz XVORIOAARAXUFH-UHFFFAOYSA-N -1 3 501.070 3.871 40 0 KHABHM CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246379 553729559 /nfs/dbraw/zinc/72/95/59/553729559.db2.gz OYXLLIXWBNHRJZ-HXUWFJFHSA-N -1 3 513.443 3.685 40 0 KHABHM CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246382 553729696 /nfs/dbraw/zinc/72/96/96/553729696.db2.gz OYXLLIXWBNHRJZ-FQEVSTJZSA-N -1 3 513.443 3.685 40 0 KHABHM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc(C(=O)OC)c1 ZINC000022528967 553745201 /nfs/dbraw/zinc/74/52/01/553745201.db2.gz WDBDPVGDPJUFAS-UHFFFAOYSA-N -1 3 502.932 3.966 40 0 KHABHM CCCCC/C=C\C/C=C\C=C/C=C\[C@@H](SC[C@@H](N)C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000027645362 553835734 /nfs/dbraw/zinc/83/57/34/553835734.db2.gz PVGJCQKBOXAJIF-UAALDITOSA-N -1 3 510.697 3.516 40 0 in-vitro KHABHM CCCCC/C=C\C/C=C\C=C/C=C\[C@H](SC[C@@H](N)C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000027645366 553835810 /nfs/dbraw/zinc/83/58/10/553835810.db2.gz PVGJCQKBOXAJIF-MDPGNMDUSA-N -1 3 510.697 3.516 40 0 in-vitro KHABHM CCCCC/C=C\C/C=C\C=C/C=C\[C@@H](SC[C@H](N)C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000027645373 553835784 /nfs/dbraw/zinc/83/57/84/553835784.db2.gz PVGJCQKBOXAJIF-VZGHIJQOSA-N -1 3 510.697 3.516 40 0 in-vitro KHABHM CCCCC/C=C\C/C=C\C=C/C=C\[C@H](SC[C@H](N)C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000027645380 553835791 /nfs/dbraw/zinc/83/57/91/553835791.db2.gz PVGJCQKBOXAJIF-FGSIDSNESA-N -1 3 510.697 3.516 40 0 in-vitro KHABHM Cc1c([N-]S(=O)(=O)c2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3cccc4c3c2NC4=O)c(=O)n(-c2ccccc2)n1C ZINC000029747568 553848247 /nfs/dbraw/zinc/84/82/47/553848247.db2.gz QYJJRSHHFOZRKP-UHFFFAOYSA-N -1 3 699.771 3.603 40 0 KHABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1 ZINC000038828117 554277983 /nfs/dbraw/zinc/27/79/83/554277983.db2.gz MDJAVICTKQQWIR-JOCHJYFZSA-N -1 3 501.587 3.692 40 0 KHABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1 ZINC000038828118 554277823 /nfs/dbraw/zinc/27/78/23/554277823.db2.gz MDJAVICTKQQWIR-QFIPXVFZSA-N -1 3 501.587 3.692 40 0 KHABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828139 554277967 /nfs/dbraw/zinc/27/79/67/554277967.db2.gz BOXLAGAUNIAQKO-HXUWFJFHSA-N -1 3 501.587 3.692 40 0 KHABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828140 554277994 /nfs/dbraw/zinc/27/79/94/554277994.db2.gz BOXLAGAUNIAQKO-FQEVSTJZSA-N -1 3 501.587 3.692 40 0 KHABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828171 554278008 /nfs/dbraw/zinc/27/80/08/554278008.db2.gz IQZQEHPQJBFLHW-HXUWFJFHSA-N -1 3 501.587 3.611 40 0 KHABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828172 554277934 /nfs/dbraw/zinc/27/79/34/554277934.db2.gz IQZQEHPQJBFLHW-FQEVSTJZSA-N -1 3 501.587 3.611 40 0 KHABHM CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399857 554284366 /nfs/dbraw/zinc/28/43/66/554284366.db2.gz MCIOSIGTXKHOGT-LJQANCHMSA-N -1 3 505.531 3.544 40 0 KHABHM CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399859 554284161 /nfs/dbraw/zinc/28/41/61/554284161.db2.gz MCIOSIGTXKHOGT-IBGZPJMESA-N -1 3 505.531 3.544 40 0 KHABHM CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400049 554284669 /nfs/dbraw/zinc/28/46/69/554284669.db2.gz LRFBORBVCRFDRJ-QGZVFWFLSA-N -1 3 505.531 3.544 40 0 KHABHM CCCCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400051 554284553 /nfs/dbraw/zinc/28/45/53/554284553.db2.gz LRFBORBVCRFDRJ-KRWDZBQOSA-N -1 3 505.531 3.544 40 0 KHABHM CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1 ZINC000040400231 554284610 /nfs/dbraw/zinc/28/46/10/554284610.db2.gz DHDDXJARXGAZBJ-MRXNPFEDSA-N -1 3 500.437 3.555 40 0 KHABHM CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1 ZINC000040400233 554284449 /nfs/dbraw/zinc/28/44/49/554284449.db2.gz DHDDXJARXGAZBJ-INIZCTEOSA-N -1 3 500.437 3.555 40 0 KHABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1 ZINC000040400239 554284459 /nfs/dbraw/zinc/28/44/59/554284459.db2.gz RHMOFIWXDALXEX-MRXNPFEDSA-N -1 3 515.448 3.774 40 0 KHABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1 ZINC000040400241 554284439 /nfs/dbraw/zinc/28/44/39/554284439.db2.gz RHMOFIWXDALXEX-INIZCTEOSA-N -1 3 515.448 3.774 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)cc1 ZINC000044839077 554303843 /nfs/dbraw/zinc/30/38/43/554303843.db2.gz MNPULZAIQQNWAS-UHFFFAOYSA-N -1 3 509.993 3.773 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)cc1 ZINC000044901867 554309192 /nfs/dbraw/zinc/30/91/92/554309192.db2.gz QKPITQFGOOMUOC-UHFFFAOYSA-N -1 3 509.993 3.773 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000049626495 554324154 /nfs/dbraw/zinc/32/41/54/554324154.db2.gz TWRQYHXJMWFTIE-JZRHZWBPSA-N -1 3 593.883 3.937 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000049626499 554324161 /nfs/dbraw/zinc/32/41/61/554324161.db2.gz TWRQYHXJMWFTIE-LIHBCPLWSA-N -1 3 593.883 3.937 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000059418502 193898206 /nfs/dbraw/zinc/89/82/06/193898206.db2.gz JDVVINHUUPNJHM-LWUPDDLQSA-N -1 3 500.576 3.666 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000059418503 193898135 /nfs/dbraw/zinc/89/81/35/193898135.db2.gz JDVVINHUUPNJHM-GJFKPFFXSA-N -1 3 500.576 3.666 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000059418504 554394575 /nfs/dbraw/zinc/39/45/75/554394575.db2.gz OWSVTDFNXARSLO-JAORQVBISA-N -1 3 501.029 3.879 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000059418505 554394587 /nfs/dbraw/zinc/39/45/87/554394587.db2.gz OWSVTDFNXARSLO-JCAJYURWSA-N -1 3 501.029 3.879 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000059427901 554395537 /nfs/dbraw/zinc/39/55/37/554395537.db2.gz FSWHCBXALHEYSU-JAORQVBISA-N -1 3 513.413 3.575 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000059427903 554395595 /nfs/dbraw/zinc/39/55/95/554395595.db2.gz FSWHCBXALHEYSU-JCAJYURWSA-N -1 3 513.413 3.575 40 0 KHABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)Nc3sc(C(C)=O)c(C)c3C(=O)OC)o2)cc1 ZINC000059530801 554406784 /nfs/dbraw/zinc/40/67/84/554406784.db2.gz LQDVXZIYASQSDY-UHFFFAOYSA-N -1 3 538.629 3.588 40 0 KHABHM COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000059834391 554434425 /nfs/dbraw/zinc/43/44/25/554434425.db2.gz PGSLAMPKJDOZQT-OAQYLSRUSA-N -1 3 533.046 3.614 40 0 KHABHM COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000059834395 554434413 /nfs/dbraw/zinc/43/44/13/554434413.db2.gz PGSLAMPKJDOZQT-NRFANRHFSA-N -1 3 533.046 3.614 40 0 KHABHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000059834487 554434610 /nfs/dbraw/zinc/43/46/10/554434610.db2.gz FOSNWJXSLDNVJI-FQEVSTJZSA-N -1 3 563.028 3.681 40 0 KHABHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000059834490 554434629 /nfs/dbraw/zinc/43/46/29/554434629.db2.gz FOSNWJXSLDNVJI-HXUWFJFHSA-N -1 3 563.028 3.681 40 0 KHABHM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1OC ZINC000059836993 554441633 /nfs/dbraw/zinc/44/16/33/554441633.db2.gz UNNVCSFNIYJWQX-UHFFFAOYSA-N -1 3 535.416 3.962 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838419 554446340 /nfs/dbraw/zinc/44/63/40/554446340.db2.gz RMJCFMKBXQVLJY-VWLOTQADSA-N -1 3 606.166 3.729 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838422 554446259 /nfs/dbraw/zinc/44/62/59/554446259.db2.gz RMJCFMKBXQVLJY-RUZDIDTESA-N -1 3 606.166 3.729 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 ZINC000059851780 554448797 /nfs/dbraw/zinc/44/87/97/554448797.db2.gz AURASJMYOSGIQJ-UHFFFAOYSA-N -1 3 557.694 3.666 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1C ZINC000059851801 554448830 /nfs/dbraw/zinc/44/88/30/554448830.db2.gz GBNXHGAEWIZHDA-UHFFFAOYSA-N -1 3 571.721 3.974 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1C ZINC000059851805 554448888 /nfs/dbraw/zinc/44/88/88/554448888.db2.gz LNUHSTUNCVPRBO-UHFFFAOYSA-N -1 3 557.694 3.584 40 0 KHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000059851813 554448795 /nfs/dbraw/zinc/44/87/95/554448795.db2.gz ISFTWGPGMVPEJS-UHFFFAOYSA-N -1 3 557.694 3.666 40 0 KHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1 ZINC000059851823 554448846 /nfs/dbraw/zinc/44/88/46/554448846.db2.gz UPYAFGFFEKTHAM-UHFFFAOYSA-N -1 3 571.721 3.974 40 0 KHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000059851826 554448874 /nfs/dbraw/zinc/44/88/74/554448874.db2.gz BNFYZLJFDFFLLI-UHFFFAOYSA-N -1 3 557.694 3.584 40 0 KHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1 ZINC000059851831 554448834 /nfs/dbraw/zinc/44/88/34/554448834.db2.gz JUUYWHILCNYDCR-UHFFFAOYSA-N -1 3 557.694 3.666 40 0 KHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1 ZINC000059851841 554448818 /nfs/dbraw/zinc/44/88/18/554448818.db2.gz ZGWXARQDLLLPAK-UHFFFAOYSA-N -1 3 571.721 3.974 40 0 KHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000059851844 554448893 /nfs/dbraw/zinc/44/88/93/554448893.db2.gz QENGADXUERRIMB-UHFFFAOYSA-N -1 3 557.694 3.584 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059851861 554449152 /nfs/dbraw/zinc/44/91/52/554449152.db2.gz MOSSVENLWUXPJD-UHFFFAOYSA-N -1 3 564.085 3.621 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 ZINC000059851867 554449144 /nfs/dbraw/zinc/44/91/44/554449144.db2.gz WIXMAMNFUQAOIM-UHFFFAOYSA-N -1 3 587.720 3.756 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059851914 554449234 /nfs/dbraw/zinc/44/92/34/554449234.db2.gz NRURVXRJJWUWLK-UHFFFAOYSA-N -1 3 608.536 3.730 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059851928 554449224 /nfs/dbraw/zinc/44/92/24/554449224.db2.gz PEGZTWSUABJPFI-UHFFFAOYSA-N -1 3 597.637 3.986 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1Cl ZINC000059851941 554449436 /nfs/dbraw/zinc/44/94/36/554449436.db2.gz PPOPZKKGTCQQPL-UHFFFAOYSA-N -1 3 594.111 3.629 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1Cl ZINC000059851971 554449399 /nfs/dbraw/zinc/44/93/99/554449399.db2.gz PLUJQWGZQSTZTL-UHFFFAOYSA-N -1 3 578.112 3.929 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c(C)c2)cc1 ZINC000059852000 554449524 /nfs/dbraw/zinc/44/95/24/554449524.db2.gz JXKPMRGEEYHJSL-UHFFFAOYSA-N -1 3 571.721 3.974 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)c2)cc1 ZINC000059852002 554449463 /nfs/dbraw/zinc/44/94/63/554449463.db2.gz KVACIPQAIRFABK-UHFFFAOYSA-N -1 3 557.694 3.584 40 0 KHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852075 554449884 /nfs/dbraw/zinc/44/98/84/554449884.db2.gz XGSFNOWFMRWHFY-UHFFFAOYSA-N -1 3 557.694 3.666 40 0 KHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852090 554449915 /nfs/dbraw/zinc/44/99/15/554449915.db2.gz JECBSZMYFXEJCV-UHFFFAOYSA-N -1 3 578.112 3.929 40 0 KHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852095 554449807 /nfs/dbraw/zinc/44/98/07/554449807.db2.gz GLGCYGJPBFDHIB-UHFFFAOYSA-N -1 3 575.684 3.805 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)c2)cc1 ZINC000059852109 554450132 /nfs/dbraw/zinc/45/01/32/554450132.db2.gz AXOMWLIRTXIQKH-UHFFFAOYSA-N -1 3 587.720 3.674 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)c2)cc1C ZINC000059852119 554450065 /nfs/dbraw/zinc/45/00/65/554450065.db2.gz TYSCWUWTPXMYHP-UHFFFAOYSA-N -1 3 571.721 3.892 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(Cl)c2)cc1 ZINC000059852194 554450495 /nfs/dbraw/zinc/45/04/95/554450495.db2.gz JQVOZLVVNARNDP-UHFFFAOYSA-N -1 3 594.111 3.629 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)c(C)c1 ZINC000059853730 554454903 /nfs/dbraw/zinc/45/49/03/554454903.db2.gz XPPBXAKDJANIHB-QHCPKHFHSA-N -1 3 550.058 3.923 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)c(C)c1 ZINC000059853734 554454949 /nfs/dbraw/zinc/45/49/49/554454949.db2.gz XPPBXAKDJANIHB-HSZRJFAPSA-N -1 3 550.058 3.923 40 0 KHABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059857840 554455150 /nfs/dbraw/zinc/45/51/50/554455150.db2.gz FVMVXTYBMLICKW-UHFFFAOYSA-N -1 3 547.655 3.526 40 0 KHABHM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059881819 554457476 /nfs/dbraw/zinc/45/74/76/554457476.db2.gz UZYDAGFOYIFHLE-KRWDZBQOSA-N -1 3 535.619 3.818 40 0 KHABHM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059881823 554457583 /nfs/dbraw/zinc/45/75/83/554457583.db2.gz UZYDAGFOYIFHLE-QGZVFWFLSA-N -1 3 535.619 3.818 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1 ZINC000059882216 554457810 /nfs/dbraw/zinc/45/78/10/554457810.db2.gz WEEINTQCJDSDRL-UHFFFAOYSA-N -1 3 557.572 3.920 40 0 KHABHM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000059882271 554458134 /nfs/dbraw/zinc/45/81/34/554458134.db2.gz CCMQJEVZEUPNLI-UHFFFAOYSA-N -1 3 526.011 3.993 40 0 KHABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000059882278 554458223 /nfs/dbraw/zinc/45/82/23/554458223.db2.gz IEXCZTFDUDYIQX-UHFFFAOYSA-N -1 3 556.435 3.794 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000059882361 554458061 /nfs/dbraw/zinc/45/80/61/554458061.db2.gz KRDZVNRIQQLOCM-UHFFFAOYSA-N -1 3 538.047 3.863 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(C)(=O)=O)cc2)cc1 ZINC000059882875 554459026 /nfs/dbraw/zinc/45/90/26/554459026.db2.gz FZLANLJKURZOLO-UHFFFAOYSA-N -1 3 554.046 3.563 40 0 KHABHM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059883155 554459805 /nfs/dbraw/zinc/45/98/05/554459805.db2.gz FCCAJUUCNDSAHT-LJQANCHMSA-N -1 3 531.656 3.906 40 0 KHABHM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059883160 554459843 /nfs/dbraw/zinc/45/98/43/554459843.db2.gz FCCAJUUCNDSAHT-IBGZPJMESA-N -1 3 531.656 3.906 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)cc1 ZINC000059883301 554460159 /nfs/dbraw/zinc/46/01/59/554460159.db2.gz IRZRMDBXBQUPJY-UHFFFAOYSA-N -1 3 568.471 3.663 40 0 KHABHM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000059883338 554460106 /nfs/dbraw/zinc/46/01/06/554460106.db2.gz AFSAIIDOWHZYNO-UHFFFAOYSA-N -1 3 526.011 3.993 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000059883480 554460524 /nfs/dbraw/zinc/46/05/24/554460524.db2.gz VYZDCDYTZQLDEB-UHFFFAOYSA-N -1 3 524.020 3.554 40 0 KHABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059883516 554460587 /nfs/dbraw/zinc/46/05/87/554460587.db2.gz PERTVPVEYOAZMQ-UHFFFAOYSA-N -1 3 547.655 3.526 40 0 KHABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059883613 554460859 /nfs/dbraw/zinc/46/08/59/554460859.db2.gz BJRIRMOYBPEEOS-UHFFFAOYSA-N -1 3 547.655 3.526 40 0 KHABHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059884015 554461684 /nfs/dbraw/zinc/46/16/84/554461684.db2.gz ARJRIGMJBOXQTJ-UHFFFAOYSA-N -1 3 531.656 3.908 40 0 KHABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000059884501 554462752 /nfs/dbraw/zinc/46/27/52/554462752.db2.gz HVNYEPZLNWIPBQ-UHFFFAOYSA-N -1 3 547.655 3.526 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000059884824 554463272 /nfs/dbraw/zinc/46/32/72/554463272.db2.gz BXVBGKSWLDOFJU-UHFFFAOYSA-N -1 3 524.020 3.554 40 0 KHABHM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059884887 554463780 /nfs/dbraw/zinc/46/37/80/554463780.db2.gz QGQDGIQKIDDZCU-SFHVURJKSA-N -1 3 547.655 3.688 40 0 KHABHM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059884891 554463716 /nfs/dbraw/zinc/46/37/16/554463716.db2.gz QGQDGIQKIDDZCU-GOSISDBHSA-N -1 3 547.655 3.688 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000059884957 554463641 /nfs/dbraw/zinc/46/36/41/554463641.db2.gz OSOCSBSEWXGUEK-UHFFFAOYSA-N -1 3 554.046 3.563 40 0 KHABHM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885196 554464095 /nfs/dbraw/zinc/46/40/95/554464095.db2.gz RRCOTNJGAIKKGT-LJQANCHMSA-N -1 3 531.656 3.906 40 0 KHABHM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885202 554464187 /nfs/dbraw/zinc/46/41/87/554464187.db2.gz RRCOTNJGAIKKGT-IBGZPJMESA-N -1 3 531.656 3.906 40 0 KHABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1OC ZINC000059885274 554464242 /nfs/dbraw/zinc/46/42/42/554464242.db2.gz FRDUBBICQCVMGP-UHFFFAOYSA-N -1 3 547.655 3.526 40 0 KHABHM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1)S(C)(=O)=O ZINC000059885793 554465459 /nfs/dbraw/zinc/46/54/59/554465459.db2.gz GSNDNTULPRNYJQ-UHFFFAOYSA-N -1 3 531.656 3.826 40 0 KHABHM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000059885828 554465465 /nfs/dbraw/zinc/46/54/65/554465465.db2.gz WWYBWOOYELAVPI-UHFFFAOYSA-N -1 3 526.011 3.993 40 0 KHABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cccc(Br)c1 ZINC000059885836 554465482 /nfs/dbraw/zinc/46/54/82/554465482.db2.gz DDZKAJQISURCQX-UHFFFAOYSA-N -1 3 556.435 3.794 40 0 KHABHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885946 554465715 /nfs/dbraw/zinc/46/57/15/554465715.db2.gz JBJOVGUMVQSBRK-UHFFFAOYSA-N -1 3 531.656 3.908 40 0 KHABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000059887325 554468678 /nfs/dbraw/zinc/46/86/78/554468678.db2.gz JMRUPWFSZDBURP-UHFFFAOYSA-N -1 3 542.010 3.693 40 0 KHABHM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)S(C)(=O)=O ZINC000059887408 554468747 /nfs/dbraw/zinc/46/87/47/554468747.db2.gz DSCKBEIKSMBVCJ-UHFFFAOYSA-N -1 3 531.656 3.826 40 0 KHABHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)cc1 ZINC000059887535 554469019 /nfs/dbraw/zinc/46/90/19/554469019.db2.gz PCVUYJLFLWZESE-UHFFFAOYSA-N -1 3 531.656 3.908 40 0 KHABHM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000059887607 554469082 /nfs/dbraw/zinc/46/90/82/554469082.db2.gz SMXOONWQQJWVKK-UHFFFAOYSA-N -1 3 542.010 3.693 40 0 KHABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000059887718 554469191 /nfs/dbraw/zinc/46/91/91/554469191.db2.gz GIICNPWPKNECRB-UHFFFAOYSA-N -1 3 547.655 3.526 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)cc1 ZINC000059887787 554469565 /nfs/dbraw/zinc/46/95/65/554469565.db2.gz SLKQBAUQRZTMCE-UHFFFAOYSA-N -1 3 538.047 3.863 40 0 KHABHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1OC ZINC000059888066 554470483 /nfs/dbraw/zinc/47/04/83/554470483.db2.gz CFLXNRLSQCOFOX-UHFFFAOYSA-N -1 3 547.655 3.526 40 0 KHABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1Br ZINC000059888131 554470369 /nfs/dbraw/zinc/47/03/69/554470369.db2.gz HOMYFRVOMUZECN-UHFFFAOYSA-N -1 3 556.435 3.794 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)cc1 ZINC000059888278 554470744 /nfs/dbraw/zinc/47/07/44/554470744.db2.gz WWZWPSOADYSITF-UHFFFAOYSA-N -1 3 568.471 3.663 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)cc2)cc1 ZINC000059888480 554471180 /nfs/dbraw/zinc/47/11/80/554471180.db2.gz ODSDFMZUNMEEMZ-UHFFFAOYSA-N -1 3 538.047 3.863 40 0 KHABHM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1)S(C)(=O)=O ZINC000059888575 554471664 /nfs/dbraw/zinc/47/16/64/554471664.db2.gz AEWHCDQYEAYZQW-UHFFFAOYSA-N -1 3 531.656 3.908 40 0 KHABHM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)S(C)(=O)=O ZINC000059888666 554471675 /nfs/dbraw/zinc/47/16/75/554471675.db2.gz KTYJHPKXNWOCSB-UHFFFAOYSA-N -1 3 531.656 3.908 40 0 KHABHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000059888881 554471750 /nfs/dbraw/zinc/47/17/50/554471750.db2.gz UAWVCJCYUHVZGB-UHFFFAOYSA-N -1 3 547.655 3.526 40 0 KHABHM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1OC ZINC000059923606 554473787 /nfs/dbraw/zinc/47/37/87/554473787.db2.gz VCFZLJHCSBXFSX-UHFFFAOYSA-N -1 3 532.018 3.954 40 0 KHABHM CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccccc1F ZINC000059923708 554474147 /nfs/dbraw/zinc/47/41/47/554474147.db2.gz FVIFVGFRCRSAFO-UHFFFAOYSA-N -1 3 541.026 3.531 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000059923887 554474380 /nfs/dbraw/zinc/47/43/80/554474380.db2.gz RYKDCZVFMODDMH-QFIPXVFZSA-N -1 3 550.058 3.923 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000059923891 554474448 /nfs/dbraw/zinc/47/44/48/554474448.db2.gz RYKDCZVFMODDMH-JOCHJYFZSA-N -1 3 550.058 3.923 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000059924157 554474950 /nfs/dbraw/zinc/47/49/50/554474950.db2.gz ZALLJZACZNEJNM-UHFFFAOYSA-N -1 3 543.667 3.519 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)cc1C ZINC000059924372 554475243 /nfs/dbraw/zinc/47/52/43/554475243.db2.gz FIKNLKCCKWXFBY-QHCPKHFHSA-N -1 3 550.058 3.923 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)cc1C ZINC000059924375 554475217 /nfs/dbraw/zinc/47/52/17/554475217.db2.gz FIKNLKCCKWXFBY-HSZRJFAPSA-N -1 3 550.058 3.923 40 0 KHABHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059929286 554477845 /nfs/dbraw/zinc/47/78/45/554477845.db2.gz ODEVVJISLKDQCB-QHCPKHFHSA-N -1 3 576.502 3.956 40 0 KHABHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059929298 554477863 /nfs/dbraw/zinc/47/78/63/554477863.db2.gz ODEVVJISLKDQCB-HSZRJFAPSA-N -1 3 576.502 3.956 40 0 KHABHM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)Oc2ccccc21 ZINC000060018295 554489409 /nfs/dbraw/zinc/48/94/09/554489409.db2.gz BDMBEWMCKLPVKG-OAQYLSRUSA-N -1 3 556.449 3.960 40 0 KHABHM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)Oc2ccccc21 ZINC000060018299 554489448 /nfs/dbraw/zinc/48/94/48/554489448.db2.gz BDMBEWMCKLPVKG-NRFANRHFSA-N -1 3 556.449 3.960 40 0 KHABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000060028251 554491476 /nfs/dbraw/zinc/49/14/76/554491476.db2.gz OFXRVUMTOPPCSI-UHFFFAOYSA-N -1 3 580.084 3.731 40 0 KHABHM COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1OC ZINC000060028579 554493636 /nfs/dbraw/zinc/49/36/36/554493636.db2.gz OLMZGELIIWRJQW-UHFFFAOYSA-N -1 3 532.018 3.954 40 0 KHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000060028592 554493689 /nfs/dbraw/zinc/49/36/89/554493689.db2.gz KWGZTPMMIRAPNZ-UHFFFAOYSA-N -1 3 550.058 3.555 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000060028593 554493730 /nfs/dbraw/zinc/49/37/30/554493730.db2.gz REIRSCHIOWKDAT-UHFFFAOYSA-N -1 3 529.640 3.674 40 0 KHABHM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)Oc2ccccc21 ZINC000060028619 554493989 /nfs/dbraw/zinc/49/39/89/554493989.db2.gz XUCULKQGFUJRGL-HXUWFJFHSA-N -1 3 556.449 3.960 40 0 KHABHM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)Oc2ccccc21 ZINC000060028620 554494010 /nfs/dbraw/zinc/49/40/10/554494010.db2.gz XUCULKQGFUJRGL-FQEVSTJZSA-N -1 3 556.449 3.960 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)c(C)c1 ZINC000060060180 554498687 /nfs/dbraw/zinc/49/86/87/554498687.db2.gz DAZMGCHAWSDTKQ-UHFFFAOYSA-N -1 3 543.667 3.519 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)cc1C ZINC000060060455 554499136 /nfs/dbraw/zinc/49/91/36/554499136.db2.gz PIWRHEXSWZKARX-UHFFFAOYSA-N -1 3 543.667 3.519 40 0 KHABHM COc1ccc(CC(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2)cc1 ZINC000067878675 554534188 /nfs/dbraw/zinc/53/41/88/554534188.db2.gz BUSGCSAPYKSHEJ-GOTSBHOMSA-N -1 3 534.657 3.547 40 0 biogenic,in-vitro KHABHM Cc1ccc(C(OC[C@H]2O[C@@H](n3cc(Br)c(=O)[n-]c3=O)[C@@H](O)[C@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000070664777 553595304 /nfs/dbraw/zinc/59/53/04/553595304.db2.gz SKUBMCFJEDLPSK-UYIZUTNXSA-N -1 3 607.501 3.852 40 0 KHABHM Cc1ccc(C(OC[C@@H]2O[C@@H](n3cc(Br)c(=O)[n-]c3=O)[C@@H](O)[C@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000070664779 553595148 /nfs/dbraw/zinc/59/51/48/553595148.db2.gz SKUBMCFJEDLPSK-PFWSVGDOSA-N -1 3 607.501 3.852 40 0 KHABHM Cc1ccc(C(OC[C@H]2O[C@@H](n3cc(Br)c(=O)[n-]c3=O)[C@@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000070664782 553595137 /nfs/dbraw/zinc/59/51/37/553595137.db2.gz SKUBMCFJEDLPSK-CITHKVLSSA-N -1 3 607.501 3.852 40 0 KHABHM Cc1ccc(C(OC[C@@H]2O[C@@H](n3cc(Br)c(=O)[n-]c3=O)[C@@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000070664784 553595262 /nfs/dbraw/zinc/59/52/62/553595262.db2.gz SKUBMCFJEDLPSK-QPXUEMTLSA-N -1 3 607.501 3.852 40 0 KHABHM CCOC(=O)CN1CCN(c2cc([N-]c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1 ZINC000077286407 553658438 /nfs/dbraw/zinc/65/84/38/553658438.db2.gz LTKNTZZGCSNLFZ-UHFFFAOYSA-N -1 3 530.054 3.884 40 0 in-vitro KHABHM O=C([O-])[C@H]1O[C@H](Oc2ccc(-c3sc4cc(O)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000082136646 562738945 /nfs/dbraw/zinc/73/89/45/562738945.db2.gz VHXYPEXOSLGZKH-FJMCWGSISA-N -1 3 649.718 3.641 40 0 KHABHM CCCc1ncc(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000083411268 553676903 /nfs/dbraw/zinc/67/69/03/553676903.db2.gz VUFDCCMSAFPGDC-UHFFFAOYSA-N -1 3 500.515 3.943 40 0 KHABHM CCCc1ncc(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000083411268 553676900 /nfs/dbraw/zinc/67/69/00/553676900.db2.gz VUFDCCMSAFPGDC-UHFFFAOYSA-N -1 3 500.515 3.943 40 0 KHABHM O=c1ccn([C@@H]2O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@@H]2O)c(=S)[n-]1 ZINC000085408797 553680083 /nfs/dbraw/zinc/68/00/83/553680083.db2.gz DPTFURUZUAETMI-ZCLKUGBOSA-N -1 3 502.592 3.534 40 0 KHABHM O=c1ccn([C@@H]2O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@@H]2O)c(=S)[n-]1 ZINC000085408803 553680066 /nfs/dbraw/zinc/68/00/66/553680066.db2.gz DPTFURUZUAETMI-RFRHCEIRSA-N -1 3 502.592 3.534 40 0 KHABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000095481371 553701785 /nfs/dbraw/zinc/70/17/85/553701785.db2.gz NYIWAIRPVICZMQ-SDHOMARFSA-N -1 3 502.523 3.932 40 0 KHABHM CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000095644667 553706606 /nfs/dbraw/zinc/70/66/06/553706606.db2.gz PVGJCQKBOXAJIF-HXDOPMNESA-N -1 3 510.697 3.516 40 0 in-vitro KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000096022235 553720142 /nfs/dbraw/zinc/72/01/42/553720142.db2.gz HEDXUZAXTRYPBL-BUDOKORBSA-N -1 3 610.857 3.771 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000096022236 553720458 /nfs/dbraw/zinc/72/04/58/553720458.db2.gz HEDXUZAXTRYPBL-OBXYEHHASA-N -1 3 610.857 3.771 40 0 KHABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000096178816 553727151 /nfs/dbraw/zinc/72/71/51/553727151.db2.gz NYIWAIRPVICZMQ-SDHSZQHLSA-N -1 3 502.523 3.932 40 0 KHABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000097954262 553822667 /nfs/dbraw/zinc/82/26/67/553822667.db2.gz WWHDJJDKTKLCPB-GSDHBNRESA-N -1 3 542.523 3.838 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100074875 554203855 /nfs/dbraw/zinc/20/38/55/554203855.db2.gz ZFEPFRVKDRJZJU-IMEWXKHHSA-N -1 3 620.465 3.516 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100074876 554203788 /nfs/dbraw/zinc/20/37/88/554203788.db2.gz ZFEPFRVKDRJZJU-WVWKGNOCSA-N -1 3 620.465 3.516 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000100074882 554203861 /nfs/dbraw/zinc/20/38/61/554203861.db2.gz CMQCYPWLAYCXQM-YMFQVDJJSA-N -1 3 590.439 3.507 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100074886 554203825 /nfs/dbraw/zinc/20/38/25/554203825.db2.gz CMQCYPWLAYCXQM-UBXANZILSA-N -1 3 590.439 3.507 40 0 KHABHM CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)Oc2ccccc21 ZINC000100090559 554210709 /nfs/dbraw/zinc/21/07/09/554210709.db2.gz IWBGNCKZCYQNKZ-XMMPIXPASA-N -1 3 529.640 3.660 40 0 KHABHM CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)Oc2ccccc21 ZINC000100090563 554210656 /nfs/dbraw/zinc/21/06/56/554210656.db2.gz IWBGNCKZCYQNKZ-DEOSSOPVSA-N -1 3 529.640 3.660 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)cc2)cc1 ZINC000100092999 554213573 /nfs/dbraw/zinc/21/35/73/554213573.db2.gz GUCCBHYKKIVHDF-HXUWFJFHSA-N -1 3 573.693 3.934 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)cc2)cc1 ZINC000100093005 554213604 /nfs/dbraw/zinc/21/36/04/554213604.db2.gz GUCCBHYKKIVHDF-FQEVSTJZSA-N -1 3 573.693 3.934 40 0 KHABHM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)C2)cc1 ZINC000100093376 554213922 /nfs/dbraw/zinc/21/39/22/554213922.db2.gz QWULDWMJNWEIBW-HXUWFJFHSA-N -1 3 543.667 3.844 40 0 KHABHM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)C2)cc1 ZINC000100093378 554214015 /nfs/dbraw/zinc/21/40/15/554214015.db2.gz QWULDWMJNWEIBW-FQEVSTJZSA-N -1 3 543.667 3.844 40 0 KHABHM CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)Oc2ccccc21 ZINC000100093964 554214250 /nfs/dbraw/zinc/21/42/50/554214250.db2.gz PVXNCLMDBLLJRT-JOCHJYFZSA-N -1 3 536.031 3.697 40 0 KHABHM CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)Oc2ccccc21 ZINC000100093968 554214244 /nfs/dbraw/zinc/21/42/44/554214244.db2.gz PVXNCLMDBLLJRT-QFIPXVFZSA-N -1 3 536.031 3.697 40 0 KHABHM CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)Oc2ccccc21 ZINC000100095955 554216513 /nfs/dbraw/zinc/21/65/13/554216513.db2.gz QRTDGSSTXNEZFR-XMMPIXPASA-N -1 3 529.640 3.660 40 0 KHABHM CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)Oc2ccccc21 ZINC000100095956 554216602 /nfs/dbraw/zinc/21/66/02/554216602.db2.gz QRTDGSSTXNEZFR-DEOSSOPVSA-N -1 3 529.640 3.660 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)cc2)cc1 ZINC000100096135 554217077 /nfs/dbraw/zinc/21/70/77/554217077.db2.gz BIVHRPWPXGORMQ-LJQANCHMSA-N -1 3 559.666 3.544 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)cc2)cc1 ZINC000100096137 554217443 /nfs/dbraw/zinc/21/74/43/554217443.db2.gz BIVHRPWPXGORMQ-IBGZPJMESA-N -1 3 559.666 3.544 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@@H]1c1ccccc1OCC ZINC000100191231 554244762 /nfs/dbraw/zinc/24/47/62/554244762.db2.gz PQKLJACZQHBKTB-VLOXRPPESA-N -1 3 543.439 3.665 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3[O-])c(=O)n2[C@H]1c1ccccc1OCC ZINC000100191234 554244839 /nfs/dbraw/zinc/24/48/39/554244839.db2.gz PQKLJACZQHBKTB-WLJFKGHSSA-N -1 3 543.439 3.665 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000100262299 554265832 /nfs/dbraw/zinc/26/58/32/554265832.db2.gz QJYSPDJBFPBFPR-VLOXRPPESA-N -1 3 620.465 3.516 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000100262305 554265819 /nfs/dbraw/zinc/26/58/19/554265819.db2.gz QJYSPDJBFPBFPR-WLJFKGHSSA-N -1 3 620.465 3.516 40 0 KHABHM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccc([N-]S(C)(=O)=O)cc2)o1 ZINC000100378486 554361725 /nfs/dbraw/zinc/36/17/25/554361725.db2.gz QVEOKNZZFDPMSI-UHFFFAOYSA-N -1 3 538.629 3.588 40 0 KHABHM COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc[n-]c4=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000100406323 554373456 /nfs/dbraw/zinc/37/34/56/554373456.db2.gz IYNGMVFRUKBGNM-ZONZVBGPSA-N -1 3 554.603 3.794 40 0 KHABHM CS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000100435841 554392715 /nfs/dbraw/zinc/39/27/15/554392715.db2.gz MSHLYRRDSNEYCO-UHFFFAOYSA-N -1 3 541.577 3.568 40 0 KHABHM CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)cc1 ZINC000100446095 554394332 /nfs/dbraw/zinc/39/43/32/554394332.db2.gz LKCYMNJFYOGSRD-UHFFFAOYSA-N -1 3 563.684 3.799 40 0 KHABHM CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000100446445 554394701 /nfs/dbraw/zinc/39/47/01/554394701.db2.gz RWPLCNHZHWFORZ-UHFFFAOYSA-N -1 3 576.466 3.809 40 0 KHABHM CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000100446531 554394558 /nfs/dbraw/zinc/39/45/58/554394558.db2.gz LQFSXTUMPSWTAS-UHFFFAOYSA-N -1 3 576.466 3.809 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCCC4)cc3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000100446607 554395089 /nfs/dbraw/zinc/39/50/89/554395089.db2.gz QTWOCOIPLKQXKT-UHFFFAOYSA-N -1 3 625.777 3.545 40 0 KHABHM COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c3nc[n-]c4=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000100795511 554473580 /nfs/dbraw/zinc/47/35/80/554473580.db2.gz IYNGMVFRUKBGNM-KWXIBIRDSA-N -1 3 554.603 3.794 40 0 KHABHM COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c3nc[n-]c4=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000100795513 554473551 /nfs/dbraw/zinc/47/35/51/554473551.db2.gz IYNGMVFRUKBGNM-GMQQYTKMSA-N -1 3 554.603 3.794 40 0 KHABHM O=C(OC[C@@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000100858627 554494121 /nfs/dbraw/zinc/49/41/21/554494121.db2.gz HYIROYSRWYWYBO-RHQYCBDASA-N -1 3 580.553 3.738 40 0 KHABHM O=C(OC[C@@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000100858629 554494424 /nfs/dbraw/zinc/49/44/24/554494424.db2.gz HYIROYSRWYWYBO-WFCWEMFUSA-N -1 3 580.553 3.738 40 0 KHABHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2=C([O-])N1c1ccc(Br)cc1 ZINC000101075983 554577523 /nfs/dbraw/zinc/57/75/23/554577523.db2.gz GTHPUBGMNHZGTL-KIHHCIJBSA-N -1 3 540.377 3.924 40 0 KHABHM O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2=C([O-])N1c1ccc(Br)cc1 ZINC000101075985 554577460 /nfs/dbraw/zinc/57/74/60/554577460.db2.gz GTHPUBGMNHZGTL-LWSSLDFYSA-N -1 3 540.377 3.924 40 0 KHABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000101114677 554642869 /nfs/dbraw/zinc/64/28/69/554642869.db2.gz WWHDJJDKTKLCPB-ZNZIZOMTSA-N -1 3 542.523 3.838 40 0 KHABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000101125878 554645176 /nfs/dbraw/zinc/64/51/76/554645176.db2.gz OQJYFRXZUDHKGP-ZNZIZOMTSA-N -1 3 524.533 3.699 40 0 KHABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccnn2C)cc1 ZINC000101179787 554666182 /nfs/dbraw/zinc/66/61/82/554666182.db2.gz MEHWUOBAAVYLLW-ZNZIZOMTSA-N -1 3 508.534 3.999 40 0 KHABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccnn2C)cc1 ZINC000101179792 554666187 /nfs/dbraw/zinc/66/61/87/554666187.db2.gz MEHWUOBAAVYLLW-CYXNTTPDSA-N -1 3 508.534 3.999 40 0 KHABHM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1cccc(Br)c1)CC(O)C[C@@H]2c1cccc(Br)c1 ZINC000101629907 554811474 /nfs/dbraw/zinc/81/14/74/554811474.db2.gz OUGRBOMKOICTTB-IAGOWNOFSA-N -1 3 522.193 3.586 40 0 KHABHM O=C1[N-]C(=O)C2(C(=O)N1)[C@H](c1cccc(Br)c1)CC(O)C[C@H]2c1cccc(Br)c1 ZINC000101629911 554811378 /nfs/dbraw/zinc/81/13/78/554811378.db2.gz OUGRBOMKOICTTB-IRXDYDNUSA-N -1 3 522.193 3.586 40 0 KHABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000102744641 555035687 /nfs/dbraw/zinc/03/56/87/555035687.db2.gz WWHDJJDKTKLCPB-UODIDJSMSA-N -1 3 542.523 3.838 40 0 KHABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000102748265 555042394 /nfs/dbraw/zinc/04/23/94/555042394.db2.gz OQJYFRXZUDHKGP-UODIDJSMSA-N -1 3 524.533 3.699 40 0 KHABHM CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Cl)ccc3[O-])sc2=N1 ZINC000103826721 555482794 /nfs/dbraw/zinc/48/27/94/555482794.db2.gz QMRXSYDUXDMQJI-MFUBYVTQSA-N -1 3 543.041 3.955 40 0 KHABHM CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Cl)ccc3[O-])sc2=N1 ZINC000103826726 555482759 /nfs/dbraw/zinc/48/27/59/555482759.db2.gz QMRXSYDUXDMQJI-RWTNITNYSA-N -1 3 543.041 3.955 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000105284272 571392563 /nfs/dbraw/zinc/39/25/63/571392563.db2.gz FHDKQOMRPGVIHK-UHFFFAOYSA-N -1 3 526.011 3.993 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000105497203 571405472 /nfs/dbraw/zinc/40/54/72/571405472.db2.gz DSXLJDPLXKANTF-LMSRTUJASA-N -1 3 530.602 3.674 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000105497206 571405388 /nfs/dbraw/zinc/40/53/88/571405388.db2.gz DSXLJDPLXKANTF-RISWYLRJSA-N -1 3 530.602 3.674 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497693 571405555 /nfs/dbraw/zinc/40/55/55/571405555.db2.gz UPHVNAASLTZCJZ-LMSRTUJASA-N -1 3 530.602 3.674 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497695 571405645 /nfs/dbraw/zinc/40/56/45/571405645.db2.gz UPHVNAASLTZCJZ-RISWYLRJSA-N -1 3 530.602 3.674 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000105498083 571405778 /nfs/dbraw/zinc/40/57/78/571405778.db2.gz XCCJHJZUMSMOQT-LMSRTUJASA-N -1 3 530.602 3.674 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3c([O-])ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000105498085 571405756 /nfs/dbraw/zinc/40/57/56/571405756.db2.gz XCCJHJZUMSMOQT-RISWYLRJSA-N -1 3 530.602 3.674 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499340 571406191 /nfs/dbraw/zinc/40/61/91/571406191.db2.gz ZATRRMIRBGUERC-JAORQVBISA-N -1 3 575.506 3.997 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499344 571406157 /nfs/dbraw/zinc/40/61/57/571406157.db2.gz ZATRRMIRBGUERC-JCAJYURWSA-N -1 3 575.506 3.997 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000105499347 571406142 /nfs/dbraw/zinc/40/61/42/571406142.db2.gz DEASFNRWZWJCNX-JAORQVBISA-N -1 3 622.506 3.839 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000105499351 571406174 /nfs/dbraw/zinc/40/61/74/571406174.db2.gz DEASFNRWZWJCNX-JCAJYURWSA-N -1 3 622.506 3.839 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000105511594 571406816 /nfs/dbraw/zinc/40/68/16/571406816.db2.gz FHRBCUDWDKLRFR-ZMUHTPIZSA-N -1 3 563.857 3.928 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000105511596 571406889 /nfs/dbraw/zinc/40/68/89/571406889.db2.gz FHRBCUDWDKLRFR-OLROSQPISA-N -1 3 563.857 3.928 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000105511706 571406880 /nfs/dbraw/zinc/40/68/80/571406880.db2.gz GGVYXBCPQFAOGE-ZMUHTPIZSA-N -1 3 610.857 3.771 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000105511708 571406900 /nfs/dbraw/zinc/40/69/00/571406900.db2.gz GGVYXBCPQFAOGE-OLROSQPISA-N -1 3 610.857 3.771 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000105511838 571406883 /nfs/dbraw/zinc/40/68/83/571406883.db2.gz FJEBSRUTZVLCHB-JAORQVBISA-N -1 3 543.439 3.583 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000105511842 571406794 /nfs/dbraw/zinc/40/67/94/571406794.db2.gz FJEBSRUTZVLCHB-JCAJYURWSA-N -1 3 543.439 3.583 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000105511995 571406915 /nfs/dbraw/zinc/40/69/15/571406915.db2.gz SEYBLRWHDQGEGQ-WLJFKGHSSA-N -1 3 604.466 3.816 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000105511998 571406959 /nfs/dbraw/zinc/40/69/59/571406959.db2.gz SEYBLRWHDQGEGQ-VLOXRPPESA-N -1 3 604.466 3.816 40 0 KHABHM COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5nc(C)cc(=O)[n-]5)o4)c(=O)n32)cc1 ZINC000106104661 571411366 /nfs/dbraw/zinc/41/13/66/571411366.db2.gz GJECEMLMMOPBQY-RPISRQAYSA-N -1 3 578.672 3.744 40 0 KHABHM COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(Sc5nc(C)cc(=O)[n-]5)o4)c(=O)n32)cc1 ZINC000106104662 571411334 /nfs/dbraw/zinc/41/13/34/571411334.db2.gz GJECEMLMMOPBQY-WKDXJHLXSA-N -1 3 578.672 3.744 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000107601732 571420412 /nfs/dbraw/zinc/42/04/12/571420412.db2.gz RITPZFKPUWEQSJ-IBGZPJMESA-N -1 3 531.656 3.906 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000107601738 571420390 /nfs/dbraw/zinc/42/03/90/571420390.db2.gz RITPZFKPUWEQSJ-LJQANCHMSA-N -1 3 531.656 3.906 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 ZINC000107850616 571421425 /nfs/dbraw/zinc/42/14/25/571421425.db2.gz YTECIOOAVJDGOV-UHFFFAOYSA-N -1 3 513.591 3.753 40 0 KHABHM O=S(=O)([N-]CCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1cc(Cl)ccc1Cl ZINC000108786465 571426436 /nfs/dbraw/zinc/42/64/36/571426436.db2.gz JYQDDNGNIWSXLZ-UHFFFAOYSA-N -1 3 547.313 3.585 40 0 KHABHM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000108929577 571427595 /nfs/dbraw/zinc/42/75/95/571427595.db2.gz FHKFWQZPXULFDR-UHFFFAOYSA-N -1 3 529.640 3.712 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000109160255 571428621 /nfs/dbraw/zinc/42/86/21/571428621.db2.gz SPBLYBPVOYEGML-INIZCTEOSA-N -1 3 538.047 3.943 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000109160258 571428575 /nfs/dbraw/zinc/42/85/75/571428575.db2.gz SPBLYBPVOYEGML-MRXNPFEDSA-N -1 3 538.047 3.943 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000109992965 571430508 /nfs/dbraw/zinc/43/05/08/571430508.db2.gz ZWHNYABZWQAJHP-RWTNITNYSA-N -1 3 543.041 3.953 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000109992972 571430466 /nfs/dbraw/zinc/43/04/66/571430466.db2.gz ZWHNYABZWQAJHP-MFUBYVTQSA-N -1 3 543.041 3.953 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000112236609 571434684 /nfs/dbraw/zinc/43/46/84/571434684.db2.gz JWCAGVDHJKXZFJ-UHFFFAOYSA-N -1 3 535.619 3.820 40 0 KHABHM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)c1ccc2c(c1)OCO2 ZINC000112236720 571434656 /nfs/dbraw/zinc/43/46/56/571434656.db2.gz AALRIDWVMDOPKI-UHFFFAOYSA-N -1 3 545.639 3.628 40 0 KHABHM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000112236728 571434649 /nfs/dbraw/zinc/43/46/49/571434649.db2.gz MHYBSWVELGYASR-UHFFFAOYSA-N -1 3 523.583 3.951 40 0 KHABHM CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1)S(C)(=O)=O ZINC000112236764 571434691 /nfs/dbraw/zinc/43/46/91/571434691.db2.gz UQDVKLCINYZYQA-UHFFFAOYSA-N -1 3 538.047 3.550 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)c(C)c1 ZINC000112236819 571434624 /nfs/dbraw/zinc/43/46/24/571434624.db2.gz IKJFCFCATXXDPZ-UHFFFAOYSA-N -1 3 531.656 3.513 40 0 KHABHM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)c1ccc2c(c1)OCCO2 ZINC000112256144 571437429 /nfs/dbraw/zinc/43/74/29/571437429.db2.gz KBPONKPEJBZNHG-UHFFFAOYSA-N -1 3 559.666 3.670 40 0 KHABHM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)c1ccc2c(c1)OCO2 ZINC000112256146 571437439 /nfs/dbraw/zinc/43/74/39/571437439.db2.gz ILHLLPVUXMMBIY-UHFFFAOYSA-N -1 3 545.639 3.628 40 0 KHABHM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000112256240 571437591 /nfs/dbraw/zinc/43/75/91/571437591.db2.gz FNLNFWUKGXDFAA-UHFFFAOYSA-N -1 3 566.057 3.707 40 0 KHABHM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)c1ccc2c(c1)OCCO2 ZINC000112256459 571437524 /nfs/dbraw/zinc/43/75/24/571437524.db2.gz XIXXAWGQKFRDDQ-UHFFFAOYSA-N -1 3 559.666 3.670 40 0 KHABHM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)N(C)C)c1 ZINC000113490267 571439205 /nfs/dbraw/zinc/43/92/05/571439205.db2.gz YJXSTRYAULRFAF-UHFFFAOYSA-N -1 3 544.699 3.973 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)N(C)C)cc2)c(C)c1 ZINC000113490367 571439233 /nfs/dbraw/zinc/43/92/33/571439233.db2.gz UMZZXZAIVUQCNP-UHFFFAOYSA-N -1 3 544.699 3.973 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000113490372 571439261 /nfs/dbraw/zinc/43/92/61/571439261.db2.gz MEXFXMWUCAODCJ-UHFFFAOYSA-N -1 3 560.698 3.754 40 0 KHABHM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)N(C)C)c1 ZINC000113491400 571439267 /nfs/dbraw/zinc/43/92/67/571439267.db2.gz DNQAQAWCRQJOMT-UHFFFAOYSA-N -1 3 544.699 3.973 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000113515481 571439668 /nfs/dbraw/zinc/43/96/68/571439668.db2.gz GMPCQLVYZZMUFQ-UHFFFAOYSA-N -1 3 530.672 3.664 40 0 KHABHM CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(F)cc1 ZINC000113516070 571439658 /nfs/dbraw/zinc/43/96/58/571439658.db2.gz SXVKSSZVRKBYFT-UHFFFAOYSA-N -1 3 541.026 3.531 40 0 KHABHM O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc(Cl)cc2Cl)C1)Nc1ccccc1C(F)(F)F ZINC000138719984 571451917 /nfs/dbraw/zinc/45/19/17/571451917.db2.gz YXIGRCVREFCYTQ-LLVKDONJSA-N -1 3 518.275 3.687 40 0 KHABHM O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc(Cl)cc2Cl)C1)Nc1ccccc1C(F)(F)F ZINC000138720097 571451890 /nfs/dbraw/zinc/45/18/90/571451890.db2.gz YXIGRCVREFCYTQ-NSHDSACASA-N -1 3 518.275 3.687 40 0 KHABHM CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000138855880 571452279 /nfs/dbraw/zinc/45/22/79/571452279.db2.gz ULWXFNNJDNRINT-MRXNPFEDSA-N -1 3 506.386 3.793 40 0 KHABHM CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000138856015 571452335 /nfs/dbraw/zinc/45/23/35/571452335.db2.gz ULWXFNNJDNRINT-INIZCTEOSA-N -1 3 506.386 3.793 40 0 KHABHM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)CC2)cc1 ZINC000139692728 571453587 /nfs/dbraw/zinc/45/35/87/571453587.db2.gz IBEMASHAPBGHES-UHFFFAOYSA-N -1 3 534.059 3.596 40 0 KHABHM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)Oc2ccc(Cl)cc21 ZINC000139706145 571453728 /nfs/dbraw/zinc/45/37/28/571453728.db2.gz UNFGNQLKSOJKTQ-OAQYLSRUSA-N -1 3 556.449 3.960 40 0 KHABHM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)Oc2ccc(Cl)cc21 ZINC000139706287 571453627 /nfs/dbraw/zinc/45/36/27/571453627.db2.gz UNFGNQLKSOJKTQ-NRFANRHFSA-N -1 3 556.449 3.960 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)cc1 ZINC000140094785 571455068 /nfs/dbraw/zinc/45/50/68/571455068.db2.gz GUMXLSFJPJMREF-QHCPKHFHSA-N -1 3 566.057 3.705 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)cc1 ZINC000140094953 571455106 /nfs/dbraw/zinc/45/51/06/571455106.db2.gz GUMXLSFJPJMREF-HSZRJFAPSA-N -1 3 566.057 3.705 40 0 KHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2Cl)cc1 ZINC000140128259 571455363 /nfs/dbraw/zinc/45/53/63/571455363.db2.gz PBMXXNSWEGJROP-UHFFFAOYSA-N -1 3 534.059 3.902 40 0 KHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2Cl)cc1 ZINC000140340847 571455479 /nfs/dbraw/zinc/45/54/79/571455479.db2.gz RHPJPWFNFOTLCT-UHFFFAOYSA-N -1 3 548.086 3.904 40 0 KHABHM COC(=O)N[C@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000141513064 571455942 /nfs/dbraw/zinc/45/59/42/571455942.db2.gz CMJCXYNUCSMDBY-CYBMUJFWSA-N -1 3 540.021 3.908 40 0 in-vitro KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150363454 571464279 /nfs/dbraw/zinc/46/42/79/571464279.db2.gz PXFNVGOLJRRILJ-NWKGEQBZSA-N -1 3 650.491 3.524 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150363456 571464377 /nfs/dbraw/zinc/46/43/77/571464377.db2.gz PXFNVGOLJRRILJ-YOKWNPFVSA-N -1 3 650.491 3.524 40 0 KHABHM CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[n-]3)CC2)cc1 ZINC000150369011 571465545 /nfs/dbraw/zinc/46/55/45/571465545.db2.gz ZYYJLIBBRCXWPX-UHFFFAOYSA-N -1 3 643.767 3.636 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCCC4)cc3)CC2)nc2c1nnn2Cc1cccc(F)c1 ZINC000150369134 571465537 /nfs/dbraw/zinc/46/55/37/571465537.db2.gz VAEZPAGDWNRQFQ-UHFFFAOYSA-N -1 3 643.767 3.684 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCC4)cc3)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000150369386 571465512 /nfs/dbraw/zinc/46/55/12/571465512.db2.gz KMBAHFQDHYINQB-UHFFFAOYSA-N -1 3 650.158 3.557 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000150369633 571465637 /nfs/dbraw/zinc/46/56/37/571465637.db2.gz ABGWKYXMXDVUEW-UHFFFAOYSA-N -1 3 664.185 3.947 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000150369857 571465655 /nfs/dbraw/zinc/46/56/55/571465655.db2.gz YXIUDSNBJBFOGR-UHFFFAOYSA-N -1 3 664.185 3.901 40 0 KHABHM CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](c4nc5c(nnn5Cc5ccccc5Cl)c(=O)[n-]4)C3)cc2)CC1 ZINC000150370044 571465726 /nfs/dbraw/zinc/46/57/26/571465726.db2.gz AOQRUQDGEXMVEZ-NRFANRHFSA-N -1 3 646.195 3.618 40 0 KHABHM CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](c4nc5c(nnn5Cc5ccccc5Cl)c(=O)[n-]4)C3)cc2)CC1 ZINC000150370047 571465757 /nfs/dbraw/zinc/46/57/57/571465757.db2.gz AOQRUQDGEXMVEZ-OAQYLSRUSA-N -1 3 646.195 3.618 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)nc2c1nnn2Cc1ccccc1Cl ZINC000150373090 571466100 /nfs/dbraw/zinc/46/61/00/571466100.db2.gz MFBSMWCQTVWORT-UHFFFAOYSA-N -1 3 646.195 3.808 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)nc2c1nnn2Cc1ccccc1Cl ZINC000150373228 571466089 /nfs/dbraw/zinc/46/60/89/571466089.db2.gz GBMPADKNAHIQHU-UHFFFAOYSA-N -1 3 646.195 3.762 40 0 KHABHM CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](c4nc5c(nnn5Cc5cccc(Cl)c5)c(=O)[n-]4)C3)cc2)CC1 ZINC000150374745 571466228 /nfs/dbraw/zinc/46/62/28/571466228.db2.gz LPAUAKHJTIQNIT-NRFANRHFSA-N -1 3 646.195 3.618 40 0 KHABHM CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](c4nc5c(nnn5Cc5cccc(Cl)c5)c(=O)[n-]4)C3)cc2)CC1 ZINC000150374749 571466187 /nfs/dbraw/zinc/46/61/87/571466187.db2.gz LPAUAKHJTIQNIT-OAQYLSRUSA-N -1 3 646.195 3.618 40 0 KHABHM CCOc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)CC2)c(OCC)cc1-n1cnnn1 ZINC000150374843 571466318 /nfs/dbraw/zinc/46/63/18/571466318.db2.gz CLCKXGZLHUMROT-UHFFFAOYSA-N -1 3 675.559 3.623 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc2c1nnn2Cc1c(Cl)cccc1Cl ZINC000150374849 571466343 /nfs/dbraw/zinc/46/63/43/571466343.db2.gz XHABVDXXBJJVNY-UHFFFAOYSA-N -1 3 652.586 3.635 40 0 KHABHM CCOc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[n-]3)CC2)c(OCC)cc1-n1cnnn1 ZINC000150374978 571466335 /nfs/dbraw/zinc/46/63/35/571466335.db2.gz WZJOELVCIKAMAV-UHFFFAOYSA-N -1 3 675.559 3.623 40 0 KHABHM O=c1[n-]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc2c1nnn2Cc1ccc(Cl)cc1Cl ZINC000150374984 571466333 /nfs/dbraw/zinc/46/63/33/571466333.db2.gz SCOFVGYNXSJORY-UHFFFAOYSA-N -1 3 652.586 3.635 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000150389332 571471752 /nfs/dbraw/zinc/47/17/52/571471752.db2.gz PNKBTZXVWBDLDA-FJWZAKCXSA-N -1 3 634.492 3.904 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000150389333 571471758 /nfs/dbraw/zinc/47/17/58/571471758.db2.gz PNKBTZXVWBDLDA-RQLGBQGVSA-N -1 3 634.492 3.904 40 0 KHABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)CC2)[n-]c3=O)cc1 ZINC000150404951 571479241 /nfs/dbraw/zinc/47/92/41/571479241.db2.gz QKUXRLYANVAPSS-UHFFFAOYSA-N -1 3 639.804 3.626 40 0 KHABHM CCCCCC(=O)C(C)(c1nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O)c1nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O ZINC000150409681 571481930 /nfs/dbraw/zinc/48/19/30/571481930.db2.gz MSOJXNPLEKRSGT-UHFFFAOYSA-N -1 3 735.553 3.989 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000150416117 571485645 /nfs/dbraw/zinc/48/56/45/571485645.db2.gz YRVWXGATMGSNGP-BUDOKORBSA-N -1 3 655.308 3.880 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000150416123 571485655 /nfs/dbraw/zinc/48/56/55/571485655.db2.gz YRVWXGATMGSNGP-OBXYEHHASA-N -1 3 655.308 3.880 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000150423303 571488674 /nfs/dbraw/zinc/48/86/74/571488674.db2.gz XDHMDUMQWRVQMO-QCHPHUCNSA-N -1 3 634.492 3.904 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000150423304 571488823 /nfs/dbraw/zinc/48/88/23/571488823.db2.gz 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O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222676975 571383077 /nfs/dbraw/zinc/38/30/77/571383077.db2.gz ZBOJHTPHIWXHHU-UHFFFAOYSA-N -1 3 509.613 3.560 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222677568 571383215 /nfs/dbraw/zinc/38/32/15/571383215.db2.gz OSJOIZZCJSFEPX-NDEPHWFRSA-N -1 3 557.628 3.977 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222677646 571383225 /nfs/dbraw/zinc/38/32/25/571383225.db2.gz OSJOIZZCJSFEPX-MUUNZHRXSA-N -1 3 557.628 3.977 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cc1C ZINC000222682256 571383838 /nfs/dbraw/zinc/38/38/38/571383838.db2.gz XHNYNKMFRFOKJZ-UHFFFAOYSA-N -1 3 531.656 3.680 40 0 KHABHM COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc(OC)c1OC ZINC000222682704 571383790 /nfs/dbraw/zinc/38/37/90/571383790.db2.gz OGKYENNWMWFDDR-UHFFFAOYSA-N -1 3 514.600 3.859 40 0 KHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222683770 571384053 /nfs/dbraw/zinc/38/40/53/571384053.db2.gz RWOQMUBNZFAOJK-UHFFFAOYSA-N -1 3 523.640 3.868 40 0 KHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222684904 571384150 /nfs/dbraw/zinc/38/41/50/571384150.db2.gz BNCAJQXZGGNKFX-UHFFFAOYSA-N -1 3 507.612 3.978 40 0 KHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)c1 ZINC000222689307 571384721 /nfs/dbraw/zinc/38/47/21/571384721.db2.gz KXXANQFIPBFJER-UHFFFAOYSA-N -1 3 531.656 3.680 40 0 KHABHM COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc(OC)c1OC ZINC000222689729 571384729 /nfs/dbraw/zinc/38/47/29/571384729.db2.gz BPDCJTTYFCAKMA-UHFFFAOYSA-N -1 3 514.600 3.859 40 0 KHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(-c4ccccc4)n3)cc2)c1 ZINC000222690782 571384836 /nfs/dbraw/zinc/38/48/36/571384836.db2.gz POBRNCKATYKNSO-UHFFFAOYSA-N -1 3 523.640 3.868 40 0 KHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)cc2)c1 ZINC000222691848 571385057 /nfs/dbraw/zinc/38/50/57/571385057.db2.gz ZHQBXNSKHIQXKV-UHFFFAOYSA-N -1 3 507.612 3.978 40 0 KHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)c1 ZINC000222696194 571385624 /nfs/dbraw/zinc/38/56/24/571385624.db2.gz XXMXOFHSILBQJT-UHFFFAOYSA-N -1 3 531.656 3.680 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)cc2)cc1 ZINC000222696822 571385747 /nfs/dbraw/zinc/38/57/47/571385747.db2.gz BLGIHVDKGWPJTJ-UHFFFAOYSA-N -1 3 530.599 3.559 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(-c4ccccc4)n3)cc2)cc1 ZINC000222697871 571385844 /nfs/dbraw/zinc/38/58/44/571385844.db2.gz KILYLPPWUBMCLM-UHFFFAOYSA-N -1 3 539.639 3.568 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)cc1 ZINC000222698428 571385905 /nfs/dbraw/zinc/38/59/05/571385905.db2.gz IVIWABCORPWVAA-LJAQVGFWSA-N -1 3 587.654 3.985 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)cc2)cc1 ZINC000222698481 571385922 /nfs/dbraw/zinc/38/59/22/571385922.db2.gz IVIWABCORPWVAA-GDLZYMKVSA-N -1 3 587.654 3.985 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)cc2)cc1 ZINC000222698910 571385907 /nfs/dbraw/zinc/38/59/07/571385907.db2.gz BKFMCUHDXHOCHB-UHFFFAOYSA-N -1 3 523.611 3.678 40 0 KHABHM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000222703006 571386606 /nfs/dbraw/zinc/38/66/06/571386606.db2.gz STKFRODEYFBRCZ-UHFFFAOYSA-N -1 3 538.047 3.717 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)cc2)cc1 ZINC000222703405 571386580 /nfs/dbraw/zinc/38/65/80/571386580.db2.gz SPRCUGKCQMVUTQ-UHFFFAOYSA-N -1 3 544.626 3.949 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3c(OC)cccc3OC)cc2)cc1 ZINC000222703488 571386555 /nfs/dbraw/zinc/38/65/55/571386555.db2.gz AHXOTLGIJDROKY-UHFFFAOYSA-N -1 3 500.573 3.599 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(-c4ccccc4)n3)cc2)cc1 ZINC000222704538 571386729 /nfs/dbraw/zinc/38/67/29/571386729.db2.gz GIFAWGYRGRTDKA-UHFFFAOYSA-N -1 3 553.666 3.959 40 0 KHABHM CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222709110 571387444 /nfs/dbraw/zinc/38/74/44/571387444.db2.gz AENAYFGHRWNAMW-LJQANCHMSA-N -1 3 513.591 3.559 40 0 KHABHM CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222709174 571387365 /nfs/dbraw/zinc/38/73/65/571387365.db2.gz AENAYFGHRWNAMW-IBGZPJMESA-N -1 3 513.591 3.559 40 0 KHABHM CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222709259 571387439 /nfs/dbraw/zinc/38/74/39/571387439.db2.gz BOZMGJLLHJPLKD-HXUWFJFHSA-N -1 3 527.618 3.949 40 0 KHABHM CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222709318 571387398 /nfs/dbraw/zinc/38/73/98/571387398.db2.gz BOZMGJLLHJPLKD-FQEVSTJZSA-N -1 3 527.618 3.949 40 0 KHABHM COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222710486 571387681 /nfs/dbraw/zinc/38/76/81/571387681.db2.gz YEIXLICGGWLKFM-OAQYLSRUSA-N -1 3 557.644 3.575 40 0 KHABHM COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222710545 571387634 /nfs/dbraw/zinc/38/76/34/571387634.db2.gz YEIXLICGGWLKFM-NRFANRHFSA-N -1 3 557.644 3.575 40 0 KHABHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222712136 571387874 /nfs/dbraw/zinc/38/78/74/571387874.db2.gz UJIGZWNQLMFANV-LVXARBLLSA-N -1 3 569.655 3.718 40 0 KHABHM C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222712192 571387896 /nfs/dbraw/zinc/38/78/96/571387896.db2.gz UJIGZWNQLMFANV-RLWLMLJZSA-N -1 3 569.655 3.718 40 0 KHABHM C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222712259 571387871 /nfs/dbraw/zinc/38/78/71/571387871.db2.gz UJIGZWNQLMFANV-HFZDXXHNSA-N -1 3 569.655 3.718 40 0 KHABHM C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222712326 571387892 /nfs/dbraw/zinc/38/78/92/571387892.db2.gz UJIGZWNQLMFANV-QFQXNSOFSA-N -1 3 569.655 3.718 40 0 KHABHM CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713055 571388067 /nfs/dbraw/zinc/38/80/67/571388067.db2.gz SWMNCUWUOATWRX-JOCHJYFZSA-N -1 3 571.671 3.965 40 0 KHABHM CCOCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222713120 571388043 /nfs/dbraw/zinc/38/80/43/571388043.db2.gz SWMNCUWUOATWRX-QFIPXVFZSA-N -1 3 571.671 3.965 40 0 KHABHM COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc(OC)c1OC ZINC000222713205 571388078 /nfs/dbraw/zinc/38/80/78/571388078.db2.gz CJLLPWDARALQQL-UHFFFAOYSA-N -1 3 518.563 3.690 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222714245 571388156 /nfs/dbraw/zinc/38/81/56/571388156.db2.gz MWNAKKIZGKVWNW-UHFFFAOYSA-N -1 3 527.603 3.699 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222715896 571388388 /nfs/dbraw/zinc/38/83/88/571388388.db2.gz ONBSKJNRDNQTSA-UHFFFAOYSA-N -1 3 511.575 3.809 40 0 KHABHM COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000222724542 571389675 /nfs/dbraw/zinc/38/96/75/571389675.db2.gz VHDBHKIHGDEFFP-UHFFFAOYSA-N -1 3 535.416 3.962 40 0 KHABHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2O1 ZINC000222726290 571389921 /nfs/dbraw/zinc/38/99/21/571389921.db2.gz HWFVWTADEHEJPI-QFIPXVFZSA-N -1 3 561.410 3.596 40 0 KHABHM COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c2ccccc2O1 ZINC000222726355 571389886 /nfs/dbraw/zinc/38/98/86/571389886.db2.gz HWFVWTADEHEJPI-JOCHJYFZSA-N -1 3 561.410 3.596 40 0 KHABHM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000222727622 571390219 /nfs/dbraw/zinc/39/02/19/571390219.db2.gz CAUMHPJUUSXYEP-UHFFFAOYSA-N -1 3 582.498 3.826 40 0 KHABHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2O1 ZINC000222729642 571390472 /nfs/dbraw/zinc/39/04/72/571390472.db2.gz DHKGEBGWEVGDJO-QFIPXVFZSA-N -1 3 550.511 3.852 40 0 KHABHM COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2O1 ZINC000222729697 571390443 /nfs/dbraw/zinc/39/04/43/571390443.db2.gz DHKGEBGWEVGDJO-JOCHJYFZSA-N -1 3 550.511 3.852 40 0 KHABHM NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000222730171 571390636 /nfs/dbraw/zinc/39/06/36/571390636.db2.gz KVNYGNZKYMYFME-UHFFFAOYSA-N -1 3 507.490 3.552 40 0 KHABHM CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000222730935 571390742 /nfs/dbraw/zinc/39/07/42/571390742.db2.gz UYLIOSMTEKYDCL-UHFFFAOYSA-N -1 3 557.572 3.740 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3c(OC)cccc3OC)cc2)cc1Cl ZINC000222731579 571390655 /nfs/dbraw/zinc/39/06/55/571390655.db2.gz PBPVGJIBQNUIQP-UHFFFAOYSA-N -1 3 520.991 3.862 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cc1Cl ZINC000222734405 571391113 /nfs/dbraw/zinc/39/11/13/571391113.db2.gz ZVFSAGOXSSCVLE-UHFFFAOYSA-N -1 3 568.073 3.726 40 0 KHABHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccccc2O1 ZINC000222739738 571391853 /nfs/dbraw/zinc/39/18/53/571391853.db2.gz BGYJXOTZJNCZRC-QHCPKHFHSA-N -1 3 530.986 3.795 40 0 KHABHM COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c2ccccc2O1 ZINC000222739814 571391863 /nfs/dbraw/zinc/39/18/63/571391863.db2.gz BGYJXOTZJNCZRC-HSZRJFAPSA-N -1 3 530.986 3.795 40 0 KHABHM CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000222741037 571391990 /nfs/dbraw/zinc/39/19/90/571391990.db2.gz AAAXBYVETBSBST-UHFFFAOYSA-N -1 3 538.047 3.683 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c(C)c2)cc1 ZINC000222764968 571394701 /nfs/dbraw/zinc/39/47/01/571394701.db2.gz JZBAOYWVXUWHIR-UHFFFAOYSA-N -1 3 531.656 3.680 40 0 KHABHM CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222786136 571397304 /nfs/dbraw/zinc/39/73/04/571397304.db2.gz FZJRDVXCUHEWQV-QGZVFWFLSA-N -1 3 534.009 3.822 40 0 KHABHM CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222786210 571397335 /nfs/dbraw/zinc/39/73/35/571397335.db2.gz FZJRDVXCUHEWQV-KRWDZBQOSA-N -1 3 534.009 3.822 40 0 KHABHM C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222787308 571397474 /nfs/dbraw/zinc/39/74/74/571397474.db2.gz FUJGVEJJGDKDDN-IBGZPJMESA-N -1 3 578.062 3.575 40 0 KHABHM C[C@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222787360 571397419 /nfs/dbraw/zinc/39/74/19/571397419.db2.gz FUJGVEJJGDKDDN-LJQANCHMSA-N -1 3 578.062 3.575 40 0 KHABHM COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222787442 571397489 /nfs/dbraw/zinc/39/74/89/571397489.db2.gz UAIITHALFZVCFO-LJQANCHMSA-N -1 3 578.062 3.839 40 0 KHABHM COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222787500 571397624 /nfs/dbraw/zinc/39/76/24/571397624.db2.gz UAIITHALFZVCFO-IBGZPJMESA-N -1 3 578.062 3.839 40 0 KHABHM C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222790645 571398065 /nfs/dbraw/zinc/39/80/65/571398065.db2.gz ZANCSTSSPYKPJF-QFIPXVFZSA-N -1 3 633.142 3.524 40 0 KHABHM C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000222790697 571398027 /nfs/dbraw/zinc/39/80/27/571398027.db2.gz ZANCSTSSPYKPJF-JOCHJYFZSA-N -1 3 633.142 3.524 40 0 KHABHM COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc(OC)c1OC ZINC000222796159 571398769 /nfs/dbraw/zinc/39/87/69/571398769.db2.gz BCFGUXCEKTYEQZ-UHFFFAOYSA-N -1 3 514.600 3.859 40 0 KHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222797244 571398926 /nfs/dbraw/zinc/39/89/26/571398926.db2.gz KGHQBYXDIOMDSF-UHFFFAOYSA-N -1 3 523.640 3.868 40 0 KHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222798364 571399150 /nfs/dbraw/zinc/39/91/50/571399150.db2.gz JNCRDWWMAWPUOC-UHFFFAOYSA-N -1 3 507.612 3.978 40 0 KHABHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c2ccccc2O1 ZINC000222801055 571399625 /nfs/dbraw/zinc/39/96/25/571399625.db2.gz LGJUUORBAPYEIC-QHCPKHFHSA-N -1 3 530.986 3.795 40 0 KHABHM COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c2ccccc2O1 ZINC000222801113 571399536 /nfs/dbraw/zinc/39/95/36/571399536.db2.gz LGJUUORBAPYEIC-HSZRJFAPSA-N -1 3 530.986 3.795 40 0 KHABHM CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c1 ZINC000222802320 571399700 /nfs/dbraw/zinc/39/97/00/571399700.db2.gz GHHLQLPTULSKNI-UHFFFAOYSA-N -1 3 538.047 3.683 40 0 KHABHM COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc(OC)c1OC ZINC000222802862 571399832 /nfs/dbraw/zinc/39/98/32/571399832.db2.gz 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MUAYZDBRVRQXJG-UHFFFAOYSA-N -1 3 561.682 3.771 40 0 KHABHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c2ccccc2O1 ZINC000222811193 571401011 /nfs/dbraw/zinc/40/10/11/571401011.db2.gz KSHSFGDAHTXFCN-VWLOTQADSA-N -1 3 524.595 3.759 40 0 KHABHM COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c2ccccc2O1 ZINC000222811248 571400968 /nfs/dbraw/zinc/40/09/68/571400968.db2.gz KSHSFGDAHTXFCN-RUZDIDTESA-N -1 3 524.595 3.759 40 0 KHABHM CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c1 ZINC000222812443 571401242 /nfs/dbraw/zinc/40/12/42/571401242.db2.gz FFULWVJYRJJCCR-UHFFFAOYSA-N -1 3 531.656 3.647 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c(C)c2)cc1C ZINC000222812539 571401252 /nfs/dbraw/zinc/40/12/52/571401252.db2.gz DRAFFJGQRWYJOL-UHFFFAOYSA-N -1 3 545.683 3.989 40 0 KHABHM Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)[nH]1 ZINC000222838353 571404127 /nfs/dbraw/zinc/40/41/27/571404127.db2.gz 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COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)ccc1[N-]S(C)(=O)=O ZINC000225416486 571783482 /nfs/dbraw/zinc/78/34/82/571783482.db2.gz RFORSHFIJULSHO-DNQXCXABSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000225416542 571783597 /nfs/dbraw/zinc/78/35/97/571783597.db2.gz QRIYAHSUSGCSQT-ZEQRLZLVSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000225416585 571783506 /nfs/dbraw/zinc/78/35/06/571783506.db2.gz QRIYAHSUSGCSQT-RPWUZVMVSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000225416630 571783488 /nfs/dbraw/zinc/78/34/88/571783488.db2.gz QRIYAHSUSGCSQT-BJKOFHAPSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000225416676 571783656 /nfs/dbraw/zinc/78/36/56/571783656.db2.gz QRIYAHSUSGCSQT-DNQXCXABSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)ccc1[N-]S(C)(=O)=O ZINC000225418744 571785805 /nfs/dbraw/zinc/78/58/05/571785805.db2.gz OQLVWIVRBJQSKB-ZEQRLZLVSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)ccc1[N-]S(C)(=O)=O ZINC000225418782 571786255 /nfs/dbraw/zinc/78/62/55/571786255.db2.gz OQLVWIVRBJQSKB-RPWUZVMVSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)ccc1[N-]S(C)(=O)=O ZINC000225418823 571786298 /nfs/dbraw/zinc/78/62/98/571786298.db2.gz OQLVWIVRBJQSKB-BJKOFHAPSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)ccc1[N-]S(C)(=O)=O ZINC000225418867 571786339 /nfs/dbraw/zinc/78/63/39/571786339.db2.gz OQLVWIVRBJQSKB-DNQXCXABSA-N -1 3 520.640 3.825 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000225421085 571788433 /nfs/dbraw/zinc/78/84/33/571788433.db2.gz FHNWBJAXWPSZRE-DQEYMECFSA-N -1 3 534.667 3.884 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000225421124 571788234 /nfs/dbraw/zinc/78/82/34/571788234.db2.gz FHNWBJAXWPSZRE-RPBOFIJWSA-N -1 3 534.667 3.884 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000225421161 571788337 /nfs/dbraw/zinc/78/83/37/571788337.db2.gz FHNWBJAXWPSZRE-LOSJGSFVSA-N -1 3 534.667 3.884 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000225421199 571788329 /nfs/dbraw/zinc/78/83/29/571788329.db2.gz FHNWBJAXWPSZRE-JWQCQUIFSA-N -1 3 534.667 3.884 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000225421786 571788738 /nfs/dbraw/zinc/78/87/38/571788738.db2.gz HJQACXMMHDCBGF-NWVWQQAFSA-N -1 3 527.672 3.619 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000225421822 571788914 /nfs/dbraw/zinc/78/89/14/571788914.db2.gz HJQACXMMHDCBGF-GLYQVZKVSA-N -1 3 527.672 3.619 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000225421857 571788810 /nfs/dbraw/zinc/78/88/10/571788810.db2.gz HJQACXMMHDCBGF-GKVQRAMASA-N -1 3 527.672 3.619 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000225421898 571788717 /nfs/dbraw/zinc/78/87/17/571788717.db2.gz HJQACXMMHDCBGF-NTUVXCKYSA-N -1 3 527.672 3.619 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225422501 571789168 /nfs/dbraw/zinc/78/91/68/571789168.db2.gz KWWOXOZHHVNVNQ-NSOVKSMOSA-N -1 3 598.795 3.779 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225422542 571789335 /nfs/dbraw/zinc/78/93/35/571789335.db2.gz KWWOXOZHHVNVNQ-IZLXSDGUSA-N -1 3 598.795 3.779 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225422580 571789294 /nfs/dbraw/zinc/78/92/94/571789294.db2.gz KWWOXOZHHVNVNQ-WUFINQPMSA-N -1 3 598.795 3.779 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1[N-]S(C)(=O)=O ZINC000225422621 571789313 /nfs/dbraw/zinc/78/93/13/571789313.db2.gz KWWOXOZHHVNVNQ-VSGBNLITSA-N -1 3 598.795 3.779 40 0 KHABHM COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225423912 571790041 /nfs/dbraw/zinc/79/00/41/571790041.db2.gz RNFQFBHJLQVACV-DNQXCXABSA-N -1 3 529.688 3.704 40 0 KHABHM COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225423946 571790458 /nfs/dbraw/zinc/79/04/58/571790458.db2.gz RNFQFBHJLQVACV-RPWUZVMVSA-N -1 3 529.688 3.704 40 0 KHABHM COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225423985 571790503 /nfs/dbraw/zinc/79/05/03/571790503.db2.gz RNFQFBHJLQVACV-BJKOFHAPSA-N -1 3 529.688 3.704 40 0 KHABHM COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225424026 571790585 /nfs/dbraw/zinc/79/05/85/571790585.db2.gz RNFQFBHJLQVACV-ZEQRLZLVSA-N -1 3 529.688 3.704 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)ccc1[N-]S(C)(=O)=O ZINC000225436452 571804672 /nfs/dbraw/zinc/80/46/72/571804672.db2.gz OOFJHIIDMFSNQJ-DQEYMECFSA-N -1 3 534.667 3.884 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)ccc1[N-]S(C)(=O)=O ZINC000225436489 571804626 /nfs/dbraw/zinc/80/46/26/571804626.db2.gz OOFJHIIDMFSNQJ-RPBOFIJWSA-N -1 3 534.667 3.884 40 0 KHABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)ccc1[N-]S(C)(=O)=O ZINC000225436534 571804640 /nfs/dbraw/zinc/80/46/40/571804640.db2.gz OOFJHIIDMFSNQJ-LOSJGSFVSA-N -1 3 534.667 3.884 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)ccc1[N-]S(C)(=O)=O ZINC000225436577 571804754 /nfs/dbraw/zinc/80/47/54/571804754.db2.gz OOFJHIIDMFSNQJ-JWQCQUIFSA-N -1 3 534.667 3.884 40 0 KHABHM O=C([N-]c1nnc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)s1)c1ccc(Cl)cc1Cl ZINC000225437883 571806633 /nfs/dbraw/zinc/80/66/33/571806633.db2.gz ZBTUPVXIHPBMOR-UHFFFAOYSA-N -1 3 516.407 3.747 40 0 KHABHM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1[N-]S(C)(=O)=O ZINC000225473985 571843884 /nfs/dbraw/zinc/84/38/84/571843884.db2.gz CMRLGYRUUFRVKI-ZEQRLZLVSA-N -1 3 520.640 3.825 40 0 KHABHM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1[N-]S(C)(=O)=O ZINC000225474018 571844036 /nfs/dbraw/zinc/84/40/36/571844036.db2.gz CMRLGYRUUFRVKI-RPWUZVMVSA-N -1 3 520.640 3.825 40 0 KHABHM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1[N-]S(C)(=O)=O ZINC000225474048 571843973 /nfs/dbraw/zinc/84/39/73/571843973.db2.gz CMRLGYRUUFRVKI-BJKOFHAPSA-N -1 3 520.640 3.825 40 0 KHABHM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1[N-]S(C)(=O)=O ZINC000225474088 571844618 /nfs/dbraw/zinc/84/46/18/571844618.db2.gz CMRLGYRUUFRVKI-DNQXCXABSA-N -1 3 520.640 3.825 40 0 KHABHM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225477312 571847863 /nfs/dbraw/zinc/84/78/63/571847863.db2.gz QSTPPCMRPWTPOV-NSOVKSMOSA-N -1 3 598.795 3.779 40 0 KHABHM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225477349 571847869 /nfs/dbraw/zinc/84/78/69/571847869.db2.gz QSTPPCMRPWTPOV-IZLXSDGUSA-N -1 3 598.795 3.779 40 0 KHABHM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225477376 571847818 /nfs/dbraw/zinc/84/78/18/571847818.db2.gz QSTPPCMRPWTPOV-WUFINQPMSA-N -1 3 598.795 3.779 40 0 KHABHM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1[N-]S(C)(=O)=O ZINC000225477408 571847770 /nfs/dbraw/zinc/84/77/70/571847770.db2.gz QSTPPCMRPWTPOV-VSGBNLITSA-N -1 3 598.795 3.779 40 0 KHABHM CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225511659 571882742 /nfs/dbraw/zinc/88/27/42/571882742.db2.gz URYGDTYQRVIGQU-UHFFFAOYSA-N -1 3 525.399 3.968 40 0 KHABHM COc1cccc(-c2noc(CN(C)S(=O)(=O)c3nnc([N-]C(=O)c4ccc(Cl)cc4Cl)s3)n2)c1 ZINC000225641238 571991759 /nfs/dbraw/zinc/99/17/59/571991759.db2.gz XLGXUMYKXQCPRH-UHFFFAOYSA-N -1 3 555.425 3.977 40 0 KHABHM COc1ccc(-c2nnc([N-]C(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3OC)s2)cc1 ZINC000225662320 572006854 /nfs/dbraw/zinc/00/68/54/572006854.db2.gz AIUYRTQWRCVRSU-UHFFFAOYSA-N -1 3 502.618 3.895 40 0 KHABHM CN1CCC(Oc2ccc([N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)CC1 ZINC000225744374 572058746 /nfs/dbraw/zinc/05/87/46/572058746.db2.gz QQPLYMFTOKGUBA-UHFFFAOYSA-N -1 3 508.025 3.718 40 0 KHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000225809108 572073568 /nfs/dbraw/zinc/07/35/68/572073568.db2.gz NEWLZCAWLYXIOF-UHFFFAOYSA-N -1 3 503.172 3.749 40 0 KHABHM COc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000226046221 572114129 /nfs/dbraw/zinc/11/41/29/572114129.db2.gz ITJPHJAHZQDGMA-UHFFFAOYSA-N -1 3 518.595 3.527 40 0 KHABHM CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1 ZINC000226047232 572114614 /nfs/dbraw/zinc/11/46/14/572114614.db2.gz OGZONRBHIHRSBG-UHFFFAOYSA-N -1 3 531.034 3.837 40 0 KHABHM CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)CC2)cc1Cl ZINC000226047369 572114622 /nfs/dbraw/zinc/11/46/22/572114622.db2.gz KPMDWYBSUGJTGW-UHFFFAOYSA-N -1 3 531.034 3.837 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)c2)n1 ZINC000226047898 572115090 /nfs/dbraw/zinc/11/50/90/572115090.db2.gz TTZPPPZHGMJDOM-UHFFFAOYSA-N -1 3 502.596 3.938 40 0 KHABHM COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1 ZINC000226048297 572114996 /nfs/dbraw/zinc/11/49/96/572114996.db2.gz KHDAHZBJCXMAKV-UHFFFAOYSA-N -1 3 524.643 3.917 40 0 KHABHM CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C1 ZINC000226050270 572115619 /nfs/dbraw/zinc/11/56/19/572115619.db2.gz JAFZZSXTORVJAM-GOSISDBHSA-N -1 3 531.034 3.837 40 0 KHABHM CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)C2)cc1Cl ZINC000226050737 572116198 /nfs/dbraw/zinc/11/61/98/572116198.db2.gz BEUOYZOARCLGPR-GOSISDBHSA-N -1 3 531.034 3.837 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3)c2)n1 ZINC000226052610 572117618 /nfs/dbraw/zinc/11/76/18/572117618.db2.gz LZBSFCFCURSJPN-UHFFFAOYSA-N -1 3 516.623 3.838 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)NCc4ccccc4)cc3)c2)n1 ZINC000226052751 572117727 /nfs/dbraw/zinc/11/77/27/572117727.db2.gz ACIFSVOJZKUTJG-UHFFFAOYSA-N -1 3 502.596 3.795 40 0 KHABHM COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)c(C)c2)cc1 ZINC000226054278 572118127 /nfs/dbraw/zinc/11/81/27/572118127.db2.gz QKMAFEBORKLKQK-UHFFFAOYSA-N -1 3 534.594 3.881 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)c2)cc1 ZINC000226054814 572118751 /nfs/dbraw/zinc/11/87/51/572118751.db2.gz ANIKVUMKQUEZOC-UHFFFAOYSA-N -1 3 571.721 3.626 40 0 KHABHM 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COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)Cc1ccccc1 ZINC000226079341 572130007 /nfs/dbraw/zinc/13/00/07/572130007.db2.gz BRQRHHQNQNVPPI-UHFFFAOYSA-N -1 3 532.622 3.892 40 0 KHABHM Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000226079724 572129951 /nfs/dbraw/zinc/12/99/51/572129951.db2.gz JEORBMBPVMYSQJ-UHFFFAOYSA-N -1 3 516.623 3.926 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(Cl)c2)cc1 ZINC000226080541 572130448 /nfs/dbraw/zinc/13/04/48/572130448.db2.gz KTTSGBUONQCPPB-UHFFFAOYSA-N -1 3 608.138 3.672 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3Cl)c2)n1 ZINC000226082392 572131128 /nfs/dbraw/zinc/13/11/28/572131128.db2.gz QCXWICRVBIONCJ-UHFFFAOYSA-N -1 3 517.007 3.637 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)c2)n1 ZINC000226082719 572131218 /nfs/dbraw/zinc/13/12/18/572131218.db2.gz ZLZPGERYNZZUMQ-UHFFFAOYSA-N -1 3 517.007 3.591 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1Cl ZINC000226083208 572131689 /nfs/dbraw/zinc/13/16/89/572131689.db2.gz NMMUWWFHFIXZCI-UHFFFAOYSA-N -1 3 592.139 3.971 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1Cl ZINC000226083390 572131707 /nfs/dbraw/zinc/13/17/07/572131707.db2.gz ANJPBYMWYJIIGM-UHFFFAOYSA-N -1 3 608.138 3.672 40 0 KHABHM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)cc1 ZINC000226083601 572132151 /nfs/dbraw/zinc/13/21/51/572132151.db2.gz IHIURTVPRUULJI-UHFFFAOYSA-N -1 3 504.568 3.872 40 0 KHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000226083724 572132161 /nfs/dbraw/zinc/13/21/61/572132161.db2.gz QIMACOSUJIBVHO-UHFFFAOYSA-N -1 3 571.721 3.626 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000226083905 572132131 /nfs/dbraw/zinc/13/21/31/572132131.db2.gz BSQCKJNOQXKELY-UHFFFAOYSA-N -1 3 622.563 3.772 40 0 KHABHM CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)cc1 ZINC000226084098 572132360 /nfs/dbraw/zinc/13/23/60/572132360.db2.gz AJBHQAOIWIFBOX-UHFFFAOYSA-N -1 3 534.594 3.962 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)c2)n1 ZINC000226084259 572132203 /nfs/dbraw/zinc/13/22/03/572132203.db2.gz WYDGLELJNUYURE-UHFFFAOYSA-N -1 3 508.531 3.703 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000226084370 572132342 /nfs/dbraw/zinc/13/23/42/572132342.db2.gz RPOBZZGZQXCIPE-UHFFFAOYSA-N -1 3 578.112 3.663 40 0 KHABHM Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)c1 ZINC000226084707 572132599 /nfs/dbraw/zinc/13/25/99/572132599.db2.gz UHGFVDJWTBZZST-UHFFFAOYSA-N -1 3 504.568 3.872 40 0 KHABHM COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)cc2)cc1 ZINC000226084848 572132701 /nfs/dbraw/zinc/13/27/01/572132701.db2.gz JQIBLFDEIXBFPR-UHFFFAOYSA-N -1 3 520.567 3.572 40 0 KHABHM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)cc2)c1 ZINC000226085137 572132718 /nfs/dbraw/zinc/13/27/18/572132718.db2.gz BTIVPHCJLZJCOK-UHFFFAOYSA-N -1 3 520.567 3.572 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1C ZINC000226085237 572133166 /nfs/dbraw/zinc/13/31/66/572133166.db2.gz NRSQJSUVUHGRPG-UHFFFAOYSA-N -1 3 571.721 3.626 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2)n1 ZINC000226086574 572133075 /nfs/dbraw/zinc/13/30/75/572133075.db2.gz YQXJQMXMJCSWLP-UHFFFAOYSA-N -1 3 530.606 3.904 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N[C@@H](C)c4ccccc4)cc3)c2)n1 ZINC000226087316 572133515 /nfs/dbraw/zinc/13/35/15/572133515.db2.gz GIDJAEBGGPMDFX-IBGZPJMESA-N -1 3 518.595 3.802 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N[C@H](C)c4ccccc4)cc3)c2)n1 ZINC000226087330 572133552 /nfs/dbraw/zinc/13/35/52/572133552.db2.gz GIDJAEBGGPMDFX-LJQANCHMSA-N -1 3 518.595 3.802 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)c2)n1 ZINC000226087560 572133502 /nfs/dbraw/zinc/13/35/02/572133502.db2.gz FROMDLFQRKJQAE-UHFFFAOYSA-N -1 3 516.579 3.514 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)c2)n1 ZINC000226087864 572133523 /nfs/dbraw/zinc/13/35/23/572133523.db2.gz XOVAKOLFJOAGKS-UHFFFAOYSA-N -1 3 518.595 3.584 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)c2)n1 ZINC000226089252 572134098 /nfs/dbraw/zinc/13/40/98/572134098.db2.gz UYVDCPBVOQEANG-JOCHJYFZSA-N -1 3 502.596 3.938 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)c2)n1 ZINC000226089265 572133991 /nfs/dbraw/zinc/13/39/91/572133991.db2.gz UYVDCPBVOQEANG-QFIPXVFZSA-N -1 3 502.596 3.938 40 0 KHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)c2)n1 ZINC000226096523 572135284 /nfs/dbraw/zinc/13/52/84/572135284.db2.gz PSTBGMVWBWHZFH-UHFFFAOYSA-N -1 3 531.432 3.547 40 0 KHABHM O=S(=O)([N-]CCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000231430266 572186883 /nfs/dbraw/zinc/18/68/83/572186883.db2.gz WRRFRXMZRKQQBF-UHFFFAOYSA-N -1 3 547.313 3.585 40 0 KHABHM O=S(=O)([N-]CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1Cl ZINC000231430311 572187036 /nfs/dbraw/zinc/18/70/36/572187036.db2.gz CMDOCZIDJFHPCC-UHFFFAOYSA-N -1 3 547.313 3.585 40 0 KHABHM O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1cccc(Br)c1)C[C@H](O)C[C@H]2c1cccc(Br)c1 ZINC000247958306 572250674 /nfs/dbraw/zinc/25/06/74/572250674.db2.gz OUGRBOMKOICTTB-BJWYYQGGSA-N -1 3 522.193 3.586 40 0 KHABHM COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C1 ZINC000260712653 572323312 /nfs/dbraw/zinc/32/33/12/572323312.db2.gz JQTMPKDTRNHEGA-KRWDZBQOSA-N -1 3 517.007 3.859 40 0 KHABHM CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)C2)cc1C ZINC000260723003 572323859 /nfs/dbraw/zinc/32/38/59/572323859.db2.gz WEFQYYSGHGSHGL-FQEVSTJZSA-N -1 3 510.616 3.904 40 0 KHABHM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4nc(C)cc(=O)[n-]4)c3)C2)cc1Cl ZINC000260723216 572323874 /nfs/dbraw/zinc/32/38/74/572323874.db2.gz XHGITBUIYHENAA-KRWDZBQOSA-N -1 3 517.007 3.859 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000260851152 571751402 /nfs/dbraw/zinc/75/14/02/571751402.db2.gz HJQACXMMHDCBGF-DQMJNTIXSA-N -1 3 527.672 3.619 40 0 KHABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000260851155 571751417 /nfs/dbraw/zinc/75/14/17/571751417.db2.gz HJQACXMMHDCBGF-QFWMQHCXSA-N -1 3 527.672 3.619 40 0 KHABHM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(I)c([O-])c(OC)c1 ZINC000261362396 572104312 /nfs/dbraw/zinc/10/43/12/572104312.db2.gz JFXRGLKLHHMBEU-KRWDZBQOSA-O -1 3 509.349 3.540 40 0 KHABHM CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(I)c([O-])c(OC)c1 ZINC000261362397 572104195 /nfs/dbraw/zinc/10/41/95/572104195.db2.gz JFXRGLKLHHMBEU-QGZVFWFLSA-O -1 3 509.349 3.540 40 0 KHABHM COc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SC)n[n+]32)cc(I)c1[O-] ZINC000261362596 572104259 /nfs/dbraw/zinc/10/42/59/572104259.db2.gz LYMSBVXDYHZASY-INIZCTEOSA-O -1 3 574.218 3.912 40 0 KHABHM COc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SC)n[n+]32)cc(I)c1[O-] ZINC000261362597 572104200 /nfs/dbraw/zinc/10/42/00/572104200.db2.gz LYMSBVXDYHZASY-MRXNPFEDSA-O -1 3 574.218 3.912 40 0 KHABHM CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(I)c1[O-] ZINC000261362838 572104721 /nfs/dbraw/zinc/10/47/21/572104721.db2.gz MQPNLDAFWZNBIP-GOSISDBHSA-O -1 3 523.376 3.930 40 0 KHABHM CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(I)c1[O-] ZINC000261362840 572104870 /nfs/dbraw/zinc/10/48/70/572104870.db2.gz MQPNLDAFWZNBIP-SFHVURJKSA-O -1 3 523.376 3.930 40 0 KHABHM CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(I)c1[O-] ZINC000261363831 572105940 /nfs/dbraw/zinc/10/59/40/572105940.db2.gz WSJYANTUIWPXIJ-KRWDZBQOSA-O -1 3 509.349 3.540 40 0 KHABHM CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(I)c1[O-] ZINC000261363832 572105847 /nfs/dbraw/zinc/10/58/47/572105847.db2.gz WSJYANTUIWPXIJ-QGZVFWFLSA-O -1 3 509.349 3.540 40 0 KHABHM CC(C)(C)OC(=O)n1cc(C[C@H](NC2(CNC(=O)OCc3ccccc3)COC2)C(=O)[O-])c2ccccc21 ZINC000306145782 572145003 /nfs/dbraw/zinc/14/50/03/572145003.db2.gz PXMDCMVUVWRXII-QFIPXVFZSA-N -1 3 523.586 3.705 40 0 KHABHM CN(C)CCCNc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1 ZINC000328965551 572146858 /nfs/dbraw/zinc/14/68/58/572146858.db2.gz CEEKXGMDMHCHNY-UHFFFAOYSA-N -1 3 526.541 4.092 40 0 KHABHM CCn1c2ccc(NC(=O)CSc3nnc(-c4cc(Br)ccc4[O-])n3C)cc2n(CC)c1=O ZINC000408541967 572209663 /nfs/dbraw/zinc/20/96/63/572209663.db2.gz GITRNGIEVCXTRR-UHFFFAOYSA-N -1 3 531.436 3.837 40 0 KHABHM Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408542132 572209758 /nfs/dbraw/zinc/20/97/58/572209758.db2.gz GVVDKQHSPIJXCU-UHFFFAOYSA-N -1 3 503.422 3.970 40 0 KHABHM Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000408542619 572210775 /nfs/dbraw/zinc/21/07/75/572210775.db2.gz KQOCTINZPQSRCZ-UHFFFAOYSA-N -1 3 504.410 3.518 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000408542902 572211062 /nfs/dbraw/zinc/21/10/62/572211062.db2.gz BCMZFILARGLEOX-GOSISDBHSA-N -1 3 517.629 3.679 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000408542908 572211700 /nfs/dbraw/zinc/21/17/00/572211700.db2.gz BCMZFILARGLEOX-SFHVURJKSA-N -1 3 517.629 3.679 40 0 KHABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc2c(c1)OCO2 ZINC000408545361 572218333 /nfs/dbraw/zinc/21/83/33/572218333.db2.gz KVCKWRUYWPXFNL-UHFFFAOYSA-N -1 3 572.448 3.928 40 0 KHABHM Cn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1cc(Br)ccc1[O-] ZINC000408545576 572219549 /nfs/dbraw/zinc/21/95/49/572219549.db2.gz ZYSAWTFLWPHWCR-UHFFFAOYSA-N -1 3 504.410 3.518 40 0 KHABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 ZINC000408546746 572223636 /nfs/dbraw/zinc/22/36/36/572223636.db2.gz UXNKFIRXISQRMR-UHFFFAOYSA-N -1 3 572.448 3.928 40 0 KHABHM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000408548455 572229042 /nfs/dbraw/zinc/22/90/42/572229042.db2.gz RYCUZBUXVSWGNF-UHFFFAOYSA-N -1 3 536.031 3.748 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408549011 572230356 /nfs/dbraw/zinc/23/03/56/572230356.db2.gz VQCVBCKCUNGZTJ-IBGZPJMESA-N -1 3 501.630 3.897 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408549012 572230404 /nfs/dbraw/zinc/23/04/04/572230404.db2.gz VQCVBCKCUNGZTJ-LJQANCHMSA-N -1 3 501.630 3.897 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000408549060 572230716 /nfs/dbraw/zinc/23/07/16/572230716.db2.gz WGUUEPFDQJQTJG-UHFFFAOYSA-N -1 3 542.010 3.693 40 0 KHABHM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000408549338 572231387 /nfs/dbraw/zinc/23/13/87/572231387.db2.gz XPFITHBQEUXMPI-UHFFFAOYSA-N -1 3 529.640 3.712 40 0 KHABHM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408552280 572238331 /nfs/dbraw/zinc/23/83/31/572238331.db2.gz LDYLISULCXXXOG-UHFFFAOYSA-N -1 3 504.948 3.954 40 0 KHABHM COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000408554772 572242144 /nfs/dbraw/zinc/24/21/44/572242144.db2.gz UHOMONMKNCRKDA-UHFFFAOYSA-N -1 3 504.948 3.954 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000408555288 572242740 /nfs/dbraw/zinc/24/27/40/572242740.db2.gz AEMXMTZICNPJEP-UHFFFAOYSA-N -1 3 544.471 3.973 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1Cl ZINC000408556978 572244419 /nfs/dbraw/zinc/24/44/19/572244419.db2.gz FPXYEMFSCSKUBQ-UHFFFAOYSA-N -1 3 535.018 3.904 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1Cl ZINC000408557319 572244735 /nfs/dbraw/zinc/24/47/35/572244735.db2.gz GNQJQZWVSHHFCR-UHFFFAOYSA-N -1 3 574.055 3.601 40 0 KHABHM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408557691 572245114 /nfs/dbraw/zinc/24/51/14/572245114.db2.gz HJENECWDOIXCGS-UHFFFAOYSA-N -1 3 519.417 3.996 40 0 KHABHM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)CC1 ZINC000408557796 572245298 /nfs/dbraw/zinc/24/52/98/572245298.db2.gz HUQKJMTXYUEZFS-UHFFFAOYSA-N -1 3 560.470 3.986 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccc2c(c1)OCO2 ZINC000408559018 572246273 /nfs/dbraw/zinc/24/62/73/572246273.db2.gz KXEYBMBIYCQIES-UHFFFAOYSA-N -1 3 505.346 3.996 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408559397 572246679 /nfs/dbraw/zinc/24/66/79/572246679.db2.gz LYPXRPRHDUGLGI-UHFFFAOYSA-N -1 3 577.581 3.958 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NCc1ccc2c(c1)OCO2 ZINC000408559544 572246694 /nfs/dbraw/zinc/24/66/94/572246694.db2.gz MJQQAJSUBHECDB-UHFFFAOYSA-N -1 3 519.373 3.674 40 0 KHABHM CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000408559609 572246959 /nfs/dbraw/zinc/24/69/59/572246959.db2.gz MVTSYXLJMORECU-UHFFFAOYSA-N -1 3 514.522 3.687 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000408560733 572247849 /nfs/dbraw/zinc/24/78/49/572247849.db2.gz PRGRMCUZDSDFSU-UHFFFAOYSA-N -1 3 530.444 3.978 40 0 KHABHM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408560763 572247699 /nfs/dbraw/zinc/24/76/99/572247699.db2.gz PXFKBLVCDGHVNR-UHFFFAOYSA-N -1 3 505.390 3.954 40 0 KHABHM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000408561159 572248185 /nfs/dbraw/zinc/24/81/85/572248185.db2.gz RALWDNNLJOCCHQ-UHFFFAOYSA-N -1 3 504.992 3.896 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1Cl ZINC000408561209 572248128 /nfs/dbraw/zinc/24/81/28/572248128.db2.gz RHWUEBOIYBZDQF-UHFFFAOYSA-N -1 3 504.948 3.573 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408561634 572248481 /nfs/dbraw/zinc/24/84/81/572248481.db2.gz UKTQRTHPUAYYJH-UHFFFAOYSA-N -1 3 588.480 3.702 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1Cl ZINC000408561667 572248319 /nfs/dbraw/zinc/24/83/19/572248319.db2.gz UVLRFHDLPVFTOG-UHFFFAOYSA-N -1 3 516.019 3.877 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000408562206 572248651 /nfs/dbraw/zinc/24/86/51/572248651.db2.gz YAKFULFKMXOPAL-UHFFFAOYSA-N -1 3 530.046 3.873 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NCc1ccc2c(c1)OCO2 ZINC000408562208 572248724 /nfs/dbraw/zinc/24/87/24/572248724.db2.gz YCPGKQJGUWSUAM-UHFFFAOYSA-N -1 3 508.474 3.930 40 0 KHABHM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408562271 572248600 /nfs/dbraw/zinc/24/86/00/572248600.db2.gz YPMNWCWJQKNIET-UHFFFAOYSA-N -1 3 505.390 3.954 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc1Cl ZINC000408562365 572248850 /nfs/dbraw/zinc/24/88/50/572248850.db2.gz ZIDBVNJCTCSFBH-UHFFFAOYSA-N -1 3 546.045 3.886 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1Cl ZINC000408562412 572248890 /nfs/dbraw/zinc/24/88/90/572248890.db2.gz ZQUIZBMSORACOD-UHFFFAOYSA-N -1 3 504.948 3.938 40 0 KHABHM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc(C(=O)OC)c1 ZINC000408582175 572264756 /nfs/dbraw/zinc/26/47/56/572264756.db2.gz BUAWWTRUBAGTGQ-UHFFFAOYSA-N -1 3 550.948 3.871 40 0 KHABHM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2)cc(C(=O)OC)c1 ZINC000408583574 572265451 /nfs/dbraw/zinc/26/54/51/572265451.db2.gz INCMLQZZSXJENJ-UHFFFAOYSA-N -1 3 562.984 3.740 40 0 KHABHM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc(C(=O)OC)c1 ZINC000408583638 572265443 /nfs/dbraw/zinc/26/54/43/572265443.db2.gz IXDYSFHEVQIAPG-UHFFFAOYSA-N -1 3 577.409 3.841 40 0 KHABHM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc(C(=O)OC)c1 ZINC000408583788 572265503 /nfs/dbraw/zinc/26/55/03/572265503.db2.gz KFAMSMHCBBFTDY-UHFFFAOYSA-N -1 3 526.567 3.695 40 0 KHABHM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc(C(=O)OC)c1 ZINC000408584316 572265721 /nfs/dbraw/zinc/26/57/21/572265721.db2.gz OASUNTOSYSWJGU-UHFFFAOYSA-N -1 3 526.567 3.695 40 0 KHABHM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc(C(=O)OC)c1 ZINC000408584324 572265719 /nfs/dbraw/zinc/26/57/19/572265719.db2.gz ODAUIECDJIPBQH-UHFFFAOYSA-N -1 3 526.567 3.695 40 0 KHABHM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc(C(=O)OC)c1 ZINC000408584374 572265695 /nfs/dbraw/zinc/26/56/95/572265695.db2.gz OWDJYOFAHNLOJM-UHFFFAOYSA-N -1 3 532.958 3.732 40 0 KHABHM 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KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)cc2)cc1 ZINC000408681610 1066541263 /nfs/dbraw/zinc/54/12/63/1066541263.db2.gz YOSWJUVBNJRFEN-UHFFFAOYSA-N -1 3 557.694 3.985 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000408681903 1066541052 /nfs/dbraw/zinc/54/10/52/1066541052.db2.gz VRYKRGIPSRLSRS-UHFFFAOYSA-N -1 3 523.583 3.787 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(C)c4)CC3)cc2)cc1 ZINC000408682589 1066540838 /nfs/dbraw/zinc/54/08/38/1066540838.db2.gz ZQPNDYACWVJOMS-UHFFFAOYSA-N -1 3 557.694 3.985 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(C)cc4)CC3)cc2)cc1 ZINC000408693160 1066545437 /nfs/dbraw/zinc/54/54/37/1066545437.db2.gz COYUBDFUQJPKFQ-UHFFFAOYSA-N -1 3 557.694 3.985 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)cc1 ZINC000408694086 1066543731 /nfs/dbraw/zinc/54/37/31/1066543731.db2.gz ATTYYYXGKILTAR-UHFFFAOYSA-N -1 3 549.696 3.987 40 0 KHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000408694115 1066543822 /nfs/dbraw/zinc/54/38/22/1066543822.db2.gz BUVKLONYWUAHIB-UHFFFAOYSA-N -1 3 549.621 3.946 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)cc1 ZINC000408694453 1066543603 /nfs/dbraw/zinc/54/36/03/1066543603.db2.gz HMIXNXXAUFFGLG-UHFFFAOYSA-N -1 3 519.670 3.897 40 0 KHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000408694636 1066543364 /nfs/dbraw/zinc/54/33/64/1066543364.db2.gz LBYXLRFSAWVGMY-UHFFFAOYSA-N -1 3 523.633 3.727 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408695083 1066542659 /nfs/dbraw/zinc/54/26/59/1066542659.db2.gz PBHSUFVAOHHHCR-UHFFFAOYSA-N -1 3 523.583 3.787 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)cc1C ZINC000408695431 1066542900 /nfs/dbraw/zinc/54/29/00/1066542900.db2.gz UTMSBYNUAODCEW-UHFFFAOYSA-N -1 3 523.583 3.787 40 0 KHABHM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000408695454 1066542717 /nfs/dbraw/zinc/54/27/17/1066542717.db2.gz VHIHMDJSFWKADP-UHFFFAOYSA-N -1 3 505.593 3.811 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)cc1 ZINC000408695695 1066542358 /nfs/dbraw/zinc/54/23/58/1066542358.db2.gz TWPAJNCBDVVVTC-GOSISDBHSA-N -1 3 519.670 3.897 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)cc1 ZINC000408695698 1066542318 /nfs/dbraw/zinc/54/23/18/1066542318.db2.gz TWPAJNCBDVVVTC-SFHVURJKSA-N -1 3 519.670 3.897 40 0 KHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000408695722 1066542137 /nfs/dbraw/zinc/54/21/37/1066542137.db2.gz XUDMALDXUQMSRK-UHFFFAOYSA-N -1 3 531.631 3.807 40 0 KHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000408695785 1066190419 /nfs/dbraw/zinc/19/04/19/1066190419.db2.gz ZISWPUMOVDLZRU-UHFFFAOYSA-N -1 3 549.621 3.946 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000408696081 1066542247 /nfs/dbraw/zinc/54/22/47/1066542247.db2.gz ZUNSRLASZNDEEL-UHFFFAOYSA-N -1 3 517.629 3.681 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)cc1C ZINC000408700198 1066552404 /nfs/dbraw/zinc/55/24/04/1066552404.db2.gz BSGVXGOPIMRBGQ-UHFFFAOYSA-N -1 3 543.667 3.686 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3OC)cc2)cc1 ZINC000408700600 1066552428 /nfs/dbraw/zinc/55/24/28/1066552428.db2.gz INBFMDYRDOGGIP-UHFFFAOYSA-N -1 3 559.666 3.932 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)cc1 ZINC000408701181 1066551832 /nfs/dbraw/zinc/55/18/32/1066551832.db2.gz SXWPTDJAXXVSTK-UHFFFAOYSA-N -1 3 550.058 3.722 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)cc1 ZINC000408701569 1066551161 /nfs/dbraw/zinc/55/11/61/1066551161.db2.gz ZWCBQTWBSBIICG-UHFFFAOYSA-N -1 3 580.084 3.813 40 0 KHABHM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408702144 1066550841 /nfs/dbraw/zinc/55/08/41/1066550841.db2.gz KACAGAPMIFLLGE-UHFFFAOYSA-N -1 3 543.667 3.686 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc2)cc1 ZINC000408702702 1066550706 /nfs/dbraw/zinc/55/07/06/1066550706.db2.gz NSORPBKDFCMCNJ-UHFFFAOYSA-N -1 3 559.666 3.932 40 0 KHABHM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1)c1ccc2c(c1)OCCO2 ZINC000408702868 1066550897 /nfs/dbraw/zinc/55/08/97/1066550897.db2.gz JCEIPEYRSIJELU-UHFFFAOYSA-N -1 3 559.666 3.670 40 0 KHABHM Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408703184 1066550676 /nfs/dbraw/zinc/55/06/76/1066550676.db2.gz PKFCRDBRPQVWDJ-UHFFFAOYSA-N -1 3 517.604 3.972 40 0 KHABHM COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000408703530 1066550598 /nfs/dbraw/zinc/55/05/98/1066550598.db2.gz SBYIFVVGWPNFDD-UHFFFAOYSA-N -1 3 529.640 3.841 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)c(C)c1 ZINC000408703762 1066549921 /nfs/dbraw/zinc/54/99/21/1066549921.db2.gz GVOAUGBHYCLVFU-IBGZPJMESA-N -1 3 559.666 3.669 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)c(C)c1 ZINC000408703763 1066550236 /nfs/dbraw/zinc/55/02/36/1066550236.db2.gz GVOAUGBHYCLVFU-LJQANCHMSA-N -1 3 559.666 3.669 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)cc1 ZINC000408704337 1066549671 /nfs/dbraw/zinc/54/96/71/1066549671.db2.gz MHCKQUWRSBTTRY-UHFFFAOYSA-N -1 3 545.639 3.709 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)cc1 ZINC000408704416 1066549526 /nfs/dbraw/zinc/54/95/26/1066549526.db2.gz NDUAXANJZUBZEX-UHFFFAOYSA-N -1 3 575.665 3.800 40 0 KHABHM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc2c(c1)OCO2 ZINC000408704471 1066549628 /nfs/dbraw/zinc/54/96/28/1066549628.db2.gz NXZLDANJNIGVEQ-UHFFFAOYSA-N -1 3 549.602 3.540 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)cc1C ZINC000408704607 1066549692 /nfs/dbraw/zinc/54/96/92/1066549692.db2.gz QKMWMNVSTHUYMA-IBGZPJMESA-N -1 3 559.666 3.669 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)cc1C ZINC000408704608 1066549610 /nfs/dbraw/zinc/54/96/10/1066549610.db2.gz QKMWMNVSTHUYMA-LJQANCHMSA-N -1 3 559.666 3.669 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000408705066 1066549212 /nfs/dbraw/zinc/54/92/12/1066549212.db2.gz XRTVRSFNOVCYSY-IBGZPJMESA-N -1 3 559.666 3.669 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000408705067 1066548987 /nfs/dbraw/zinc/54/89/87/1066548987.db2.gz XRTVRSFNOVCYSY-LJQANCHMSA-N -1 3 559.666 3.669 40 0 KHABHM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1)c1ccc2c(c1)OCO2 ZINC000408705276 1066549126 /nfs/dbraw/zinc/54/91/26/1066549126.db2.gz AZXYVBNJDFNKTM-UHFFFAOYSA-N -1 3 545.639 3.628 40 0 KHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 ZINC000408705398 1066549230 /nfs/dbraw/zinc/54/92/30/1066549230.db2.gz DXEAFKDNDLAPOZ-UHFFFAOYSA-N -1 3 531.656 3.513 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)cc1C ZINC000408705836 1066548577 /nfs/dbraw/zinc/54/85/77/1066548577.db2.gz OJXUZFHOXKHULG-UHFFFAOYSA-N -1 3 531.656 3.513 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408711290 1066555004 /nfs/dbraw/zinc/55/50/04/1066555004.db2.gz FCZCZKLIJQYMOZ-IBGZPJMESA-N -1 3 531.656 3.906 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408711291 1066555258 /nfs/dbraw/zinc/55/52/58/1066555258.db2.gz FCZCZKLIJQYMOZ-LJQANCHMSA-N -1 3 531.656 3.906 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000408712283 1066555036 /nfs/dbraw/zinc/55/50/36/1066555036.db2.gz HHEXXKZHRZAECB-INIZCTEOSA-N -1 3 568.073 3.951 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000408712284 1066190793 /nfs/dbraw/zinc/19/07/93/1066190793.db2.gz HHEXXKZHRZAECB-MRXNPFEDSA-N -1 3 568.073 3.951 40 0 KHABHM COc1ccc(C)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000408714894 1066553504 /nfs/dbraw/zinc/55/35/04/1066553504.db2.gz SAOIAUSOUAJSSP-UHFFFAOYSA-N -1 3 591.733 3.800 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000408739323 1066562762 /nfs/dbraw/zinc/56/27/62/1066562762.db2.gz VNQOCGNEPPDGPC-VLOXRPPESA-N -1 3 573.465 3.674 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000408739327 1066562784 /nfs/dbraw/zinc/56/27/84/1066562784.db2.gz VNQOCGNEPPDGPC-WLJFKGHSSA-N -1 3 573.465 3.674 40 0 KHABHM COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408751766 1066566886 /nfs/dbraw/zinc/56/68/86/1066566886.db2.gz BIMOZEFOCXEKGZ-DDYRAIOVSA-N -1 3 549.830 3.538 40 0 KHABHM COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408751769 1066567175 /nfs/dbraw/zinc/56/71/75/1066567175.db2.gz BIMOZEFOCXEKGZ-WSDUQJHMSA-N -1 3 549.830 3.538 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770073 1066571510 /nfs/dbraw/zinc/57/15/10/1066571510.db2.gz SJLKQJLMQYSCTG-JZRHZWBPSA-N -1 3 623.909 3.946 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770074 1066571536 /nfs/dbraw/zinc/57/15/36/1066571536.db2.gz SJLKQJLMQYSCTG-LIHBCPLWSA-N -1 3 623.909 3.946 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408771704 1066572575 /nfs/dbraw/zinc/57/25/75/1066572575.db2.gz BFFFIWKWNLPBOH-JAORQVBISA-N -1 3 531.055 3.888 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408771705 1066572717 /nfs/dbraw/zinc/57/27/17/1066572717.db2.gz BFFFIWKWNLPBOH-JCAJYURWSA-N -1 3 531.055 3.888 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])cc3O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408821414 1066584645 /nfs/dbraw/zinc/58/46/45/1066584645.db2.gz HCLSNNHOYSFWOP-KIHONOKQSA-N -1 3 573.465 3.759 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])cc3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408821415 1066216980 /nfs/dbraw/zinc/21/69/80/1066216980.db2.gz HCLSNNHOYSFWOP-YLVTVWEBSA-N -1 3 573.465 3.759 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])cc3O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408821840 1066584049 /nfs/dbraw/zinc/58/40/49/1066584049.db2.gz KRXOVXXYSDZMCZ-KIHONOKQSA-N -1 3 620.465 3.601 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c([O-])cc3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408821841 1066584678 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ZINC000408836844 1066586537 /nfs/dbraw/zinc/58/65/37/1066586537.db2.gz WFJRXDQQJJWXNW-IMEWXKHHSA-N -1 3 513.015 3.864 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408836845 1066586452 /nfs/dbraw/zinc/58/64/52/1066586452.db2.gz WFJRXDQQJJWXNW-WVWKGNOCSA-N -1 3 513.015 3.864 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408844414 1066591817 /nfs/dbraw/zinc/59/18/17/1066591817.db2.gz IHWURYOHVOBZJY-QCHPHUCNSA-N -1 3 543.041 3.953 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408844415 1066591885 /nfs/dbraw/zinc/59/18/85/1066591885.db2.gz IHWURYOHVOBZJY-VZIOXZNFSA-N -1 3 543.041 3.953 40 0 KHABHM CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Cl)c([O-])c(OC)c3)sc2=N1 ZINC000408873291 1066598590 /nfs/dbraw/zinc/59/85/90/1066598590.db2.gz SJJHAINRALOJOR-MFUBYVTQSA-N -1 3 573.067 3.963 40 0 KHABHM CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Cl)c([O-])c(OC)c3)sc2=N1 ZINC000408873292 1066598659 /nfs/dbraw/zinc/59/86/59/1066598659.db2.gz SJJHAINRALOJOR-RWTNITNYSA-N -1 3 573.067 3.963 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408907367 1066605569 /nfs/dbraw/zinc/60/55/69/1066605569.db2.gz MNVOHBHWPANITA-IMEWXKHHSA-N -1 3 559.040 3.573 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408907368 1066606222 /nfs/dbraw/zinc/60/62/22/1066606222.db2.gz MNVOHBHWPANITA-WVWKGNOCSA-N -1 3 559.040 3.573 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408908293 1066605414 /nfs/dbraw/zinc/60/54/14/1066605414.db2.gz RGUHHSDNZJQKEJ-XOYGFPHKSA-N -1 3 573.067 3.963 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408908294 1066605380 /nfs/dbraw/zinc/60/53/80/1066605380.db2.gz 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ZINC000408927581 1066232792 /nfs/dbraw/zinc/23/27/92/1066232792.db2.gz XPNFSNMSFRZGBU-IBGZPJMESA-N -1 3 501.630 3.897 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000408927582 1066614336 /nfs/dbraw/zinc/61/43/36/1066614336.db2.gz XPNFSNMSFRZGBU-LJQANCHMSA-N -1 3 501.630 3.897 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1 ZINC000408927617 1066614447 /nfs/dbraw/zinc/61/44/47/1066614447.db2.gz YJCVCZOKWUPHLJ-UHFFFAOYSA-N -1 3 517.629 3.518 40 0 KHABHM CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c([O-])c(OCC)c4)c(=O)n32)cc1OCC ZINC000408932936 1066233554 /nfs/dbraw/zinc/23/35/54/1066233554.db2.gz FUMRJPJNFPUZFQ-HIFDDZRDSA-N -1 3 603.491 3.682 40 0 KHABHM CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c([O-])c(OCC)c4)c(=O)n32)cc1OCC ZINC000408932937 1066233246 /nfs/dbraw/zinc/23/32/46/1066233246.db2.gz FUMRJPJNFPUZFQ-TYBHGIAWSA-N -1 3 603.491 3.682 40 0 KHABHM 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/nfs/dbraw/zinc/78/22/10/1066782210.db2.gz LLNSWRHCIJRJHY-VCHYOVAHSA-N -1 3 503.374 3.785 40 0 KHABHM COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000409270253 1066782350 /nfs/dbraw/zinc/78/23/50/1066782350.db2.gz OEUCTXCKPFJPJE-SXGWCWSVSA-N -1 3 510.309 3.680 40 0 KHABHM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O)Nc1ccc(F)cc1F ZINC000409271281 1066781849 /nfs/dbraw/zinc/78/18/49/1066781849.db2.gz UDHDDPRJYYJYDB-UUASQNMZSA-N -1 3 516.263 3.950 40 0 KHABHM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O)N1CCc2ccccc2C1 ZINC000409271441 1066276924 /nfs/dbraw/zinc/27/69/24/1066276924.db2.gz CZZTZSNMTSWUPX-ZDLGFXPLSA-N -1 3 520.348 3.618 40 0 KHABHM O=C(OC1=C([O-])N(c2cccc(I)c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409294935 1066789431 /nfs/dbraw/zinc/78/94/31/1066789431.db2.gz CKNXOIOYUGTEOK-BGYRXZFFSA-N -1 3 541.297 3.616 40 0 KHABHM O=C(OC1=C([O-])N(c2cccc(I)c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409294935 1066789420 /nfs/dbraw/zinc/78/94/20/1066789420.db2.gz CKNXOIOYUGTEOK-BGYRXZFFSA-N -1 3 541.297 3.616 40 0 KHABHM O=C(OC1=C([O-])N(c2ccc(I)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409298366 1066791464 /nfs/dbraw/zinc/79/14/64/1066791464.db2.gz ZFNDSJDNXTVIJA-BGYRXZFFSA-N -1 3 541.297 3.616 40 0 KHABHM O=C(OC1=C([O-])N(c2ccc(I)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409298366 1066791454 /nfs/dbraw/zinc/79/14/54/1066791454.db2.gz ZFNDSJDNXTVIJA-BGYRXZFFSA-N -1 3 541.297 3.616 40 0 KHABHM O=C(OC1=C([O-])N(c2ccccc2I)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409300662 1066791026 /nfs/dbraw/zinc/79/10/26/1066791026.db2.gz XZJQCESPWTZPAN-BGYRXZFFSA-N -1 3 541.297 3.616 40 0 KHABHM O=C(OC1=C([O-])N(c2ccccc2I)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409300662 1066791014 /nfs/dbraw/zinc/79/10/14/1066791014.db2.gz XZJQCESPWTZPAN-BGYRXZFFSA-N -1 3 541.297 3.616 40 0 KHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000409328315 1066796703 /nfs/dbraw/zinc/79/67/03/1066796703.db2.gz RXTSXFDJCHHBHX-UHFFFAOYSA-N -1 3 554.021 3.553 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000409332383 1066280402 /nfs/dbraw/zinc/28/04/02/1066280402.db2.gz DVCGDQDVSKONGJ-JUTHHCEFSA-N -1 3 559.040 3.573 40 0 KHABHM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000409332387 1066280278 /nfs/dbraw/zinc/28/02/78/1066280278.db2.gz DVCGDQDVSKONGJ-VVOOWDFBSA-N -1 3 559.040 3.573 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2)cc1 ZINC000409340388 1066798602 /nfs/dbraw/zinc/79/86/02/1066798602.db2.gz WHAKQZDMAPHNIY-UHFFFAOYSA-N -1 3 550.058 3.722 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2)cc1 ZINC000409349488 1066802790 /nfs/dbraw/zinc/80/27/90/1066802790.db2.gz PRRBSKDZRVGJSK-UHFFFAOYSA-N -1 3 580.084 3.813 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000409367051 1066804015 /nfs/dbraw/zinc/80/40/15/1066804015.db2.gz BSIAHXKFMHRGEN-UHFFFAOYSA-N -1 3 521.639 3.802 40 0 KHABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)c1 ZINC000409370619 1066811760 /nfs/dbraw/zinc/81/17/60/1066811760.db2.gz BINVKHVNQUCHLA-UHFFFAOYSA-N -1 3 537.638 3.556 40 0 KHABHM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)CC1 ZINC000409370912 1066810896 /nfs/dbraw/zinc/81/08/96/1066810896.db2.gz DKJBNLXJXTZCQO-UHFFFAOYSA-N -1 3 509.628 3.840 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)cc1 ZINC000409376902 1066284389 /nfs/dbraw/zinc/28/43/89/1066284389.db2.gz BSFFPNUXCUDWFG-UHFFFAOYSA-N -1 3 516.019 3.877 40 0 KHABHM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CC1 ZINC000409377997 1066813436 /nfs/dbraw/zinc/81/34/36/1066813436.db2.gz LJYBPNONLQPLRX-UHFFFAOYSA-N -1 3 509.628 3.840 40 0 KHABHM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)CC1 ZINC000409379428 1066284973 /nfs/dbraw/zinc/28/49/73/1066284973.db2.gz XIRRXJOJMOQTGN-UHFFFAOYSA-N -1 3 509.628 3.840 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1C ZINC000409380091 1066820856 /nfs/dbraw/zinc/82/08/56/1066820856.db2.gz HLFDMCDCSSFRBQ-UHFFFAOYSA-N -1 3 537.638 3.556 40 0 KHABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)c1 ZINC000409380366 1066820310 /nfs/dbraw/zinc/82/03/10/1066820310.db2.gz LQVFGHCTAGWEAM-UHFFFAOYSA-N -1 3 537.638 3.556 40 0 KHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2)cc1 ZINC000409383838 1066816857 /nfs/dbraw/zinc/81/68/57/1066816857.db2.gz KEVHCAMMLSOWMO-UHFFFAOYSA-N -1 3 537.638 3.556 40 0 KHABHM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)CC1 ZINC000409383924 1066816913 /nfs/dbraw/zinc/81/69/13/1066816913.db2.gz PFDPXOPKGRCDKH-UHFFFAOYSA-N -1 3 509.628 3.840 40 0 KHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000409388501 1066824060 /nfs/dbraw/zinc/82/40/60/1066824060.db2.gz DBFPHEDQZKZDSK-UHFFFAOYSA-N -1 3 500.020 3.864 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4OC)CC3)cc2)cc1 ZINC000409392314 1066284947 /nfs/dbraw/zinc/28/49/47/1066284947.db2.gz RGDZWNCBEUMVNX-UHFFFAOYSA-N -1 3 525.627 3.622 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4F)CC3)cc2)cc1 ZINC000409393007 1066821448 /nfs/dbraw/zinc/82/14/48/1066821448.db2.gz UVQVMOYKIGHSEZ-UHFFFAOYSA-N -1 3 513.591 3.753 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000409393384 1066821431 /nfs/dbraw/zinc/82/14/31/1066821431.db2.gz VYZJKNXCIKIZBM-UHFFFAOYSA-N -1 3 514.600 3.641 40 0 KHABHM COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000409393910 1066821403 /nfs/dbraw/zinc/82/14/03/1066821403.db2.gz ZCXLEUJWMFDZTC-UHFFFAOYSA-N -1 3 516.019 3.877 40 0 KHABHM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(F)c(Cl)c1 ZINC000409409587 1066836327 /nfs/dbraw/zinc/83/63/27/1066836327.db2.gz IKODRBLUHQJZNC-UHFFFAOYSA-N -1 3 529.974 3.824 40 0 KHABHM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000409409601 1066836299 /nfs/dbraw/zinc/83/62/99/1066836299.db2.gz IPUUMINQGAPHCK-UHFFFAOYSA-N -1 3 529.640 3.712 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000409411008 1066835139 /nfs/dbraw/zinc/83/51/39/1066835139.db2.gz SFBYSZHHCRPSBH-IBGZPJMESA-N -1 3 531.656 3.988 40 0 KHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000409411009 1066287911 /nfs/dbraw/zinc/28/79/11/1066287911.db2.gz SFBYSZHHCRPSBH-LJQANCHMSA-N -1 3 531.656 3.988 40 0 KHABHM CCn1c(SCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)nnc1-c1cc(Br)ccc1[O-] ZINC000409411539 1066287831 /nfs/dbraw/zinc/28/78/31/1066287831.db2.gz ITKKPYZLESJACO-UHFFFAOYSA-N -1 3 549.403 3.737 40 0 KHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000409411659 1066834639 /nfs/dbraw/zinc/83/46/39/1066834639.db2.gz YQODWHNGKHZUDO-UHFFFAOYSA-N -1 3 582.498 3.972 40 0 KHABHM NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)cc1 ZINC000409412395 1066834743 /nfs/dbraw/zinc/83/47/43/1066834743.db2.gz VZWIXQMLNQDILG-UHFFFAOYSA-N -1 3 560.455 3.781 40 0 KHABHM CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cc(Br)ccc1[O-] ZINC000409412667 1066834085 /nfs/dbraw/zinc/83/40/85/1066834085.db2.gz WEPXLYFDGIHHNJ-UHFFFAOYSA-N -1 3 502.438 3.874 40 0 KHABHM Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(S(=O)(=O)NC5CC5)cc4)CC2)[n-]c3=O)c1 ZINC000409416033 1066834078 /nfs/dbraw/zinc/83/40/78/1066834078.db2.gz HYHLXSJEXGONGW-UHFFFAOYSA-N -1 3 597.723 3.623 40 0 KHABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C ZINC000575421308 1066489435 /nfs/dbraw/zinc/48/94/35/1066489435.db2.gz IXMLKGUJYTZJDA-CLJLJLNGSA-N -1 3 606.788 3.691 40 0 KHABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C ZINC000575421318 1066489326 /nfs/dbraw/zinc/48/93/26/1066489326.db2.gz IXMLKGUJYTZJDA-FTJBHMTQSA-N -1 3 606.788 3.691 40 0 KHABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C ZINC000575421320 1066489301 /nfs/dbraw/zinc/48/93/01/1066489301.db2.gz IXMLKGUJYTZJDA-IZZNHLLZSA-N -1 3 606.788 3.691 40 0 KHABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C ZINC000575421321 1066489506 /nfs/dbraw/zinc/48/95/06/1066489506.db2.gz IXMLKGUJYTZJDA-UIOOFZCWSA-N -1 3 606.788 3.691 40 0 KHABHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000575426015 1066490856 /nfs/dbraw/zinc/49/08/56/1066490856.db2.gz KSIUYFNLDBZVCH-FCHUYYIVSA-N -1 3 619.570 3.764 40 0 KHABHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000575426016 1066488757 /nfs/dbraw/zinc/48/87/57/1066488757.db2.gz KSIUYFNLDBZVCH-FGZHOGPDSA-N -1 3 619.570 3.764 40 0 KHABHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000575426017 1066490764 /nfs/dbraw/zinc/49/07/64/1066490764.db2.gz KSIUYFNLDBZVCH-VXKWHMMOSA-N -1 3 619.570 3.764 40 0 KHABHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000575426018 1066488611 /nfs/dbraw/zinc/48/86/11/1066488611.db2.gz KSIUYFNLDBZVCH-YADHBBJMSA-N -1 3 619.570 3.764 40 0 KHABHM COc1cc([C@@H](CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138801 1066874697 /nfs/dbraw/zinc/87/46/97/1066874697.db2.gz SCLACSVARYFBNG-HFZDXXHNSA-N -1 3 707.777 3.841 40 0 KHABHM COc1cc([C@H](CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138802 1066874629 /nfs/dbraw/zinc/87/46/29/1066874629.db2.gz SCLACSVARYFBNG-LVXARBLLSA-N -1 3 707.777 3.841 40 0 KHABHM COc1cc([C@H](CC(=O)NCCS(N)(=O)=O)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138862 1066874769 /nfs/dbraw/zinc/87/47/69/1066874769.db2.gz VLPLBFQKXONDGR-CVDCTZTESA-N -1 3 662.758 3.532 40 0 KHABHM COc1cc([C@@H](CC(=O)NCCS(N)(=O)=O)c2c([O-])cc3c(c2O)C(=O)O[C@@H](C)CCCC(=O)CCCC=C3)cc(OC)c1OC ZINC001547138863 1066874554 /nfs/dbraw/zinc/87/45/54/1066874554.db2.gz VLPLBFQKXONDGR-WMZHIEFXSA-N -1 3 662.758 3.532 40 0 KHABHM