smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(S(=O)(=O)N5CCCCC5)cc4)CC3)[nH]c2c1 ZINC000001327628 551644005 /nfs/dbraw/zinc/64/40/05/551644005.db2.gz FDCHCFIIFUYORZ-UHFFFAOYSA-N 0 1 502.662 3.614 40 0 KHABMN O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1)N1CCCCC1 ZINC000001327632 551644048 /nfs/dbraw/zinc/64/40/48/551644048.db2.gz CKCMDKLKZBXZDT-UHFFFAOYSA-N 0 1 523.080 3.959 40 0 KHABMN O=S(=O)(c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1)N1CCCC1 ZINC000001327682 551643940 /nfs/dbraw/zinc/64/39/40/551643940.db2.gz TYKNSSNIXOSPDN-UHFFFAOYSA-N 0 1 509.053 3.569 40 0 KHABMN Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(S(=O)(=O)NC5CCCC5)cc4)CC3)[nH]c2c1 ZINC000001327703 551643942 /nfs/dbraw/zinc/64/39/42/551643942.db2.gz JYNSCYIRUQHWOR-UHFFFAOYSA-N 0 1 502.662 3.661 40 0 KHABMN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000001335091 551645323 /nfs/dbraw/zinc/64/53/23/551645323.db2.gz VYXGEMDXKINUCZ-UHFFFAOYSA-N 0 1 511.069 3.815 40 0 KHABMN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 ZINC000001351281 551647251 /nfs/dbraw/zinc/64/72/51/551647251.db2.gz DNOAEDRSGBQHBZ-UHFFFAOYSA-N 0 1 516.597 3.630 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)n1 ZINC000001506201 551683218 /nfs/dbraw/zinc/68/32/18/551683218.db2.gz GPXYZRFNJACULU-UHFFFAOYSA-N 0 1 508.341 3.751 40 0 KHABMN COc1cc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000002429476 552117553 /nfs/dbraw/zinc/11/75/53/552117553.db2.gz OQJYFRXZUDHKGP-GSDHBNRESA-N 0 1 524.533 3.699 40 0 KHABMN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC(=O)NCc2ccco2)cc1 ZINC000004150044 1066881231 /nfs/dbraw/zinc/88/12/31/1066881231.db2.gz KMXYXCJDDYMQRD-PEDAOZHASA-N 0 1 573.737 3.967 40 0 biogenic,in-vitro KHABMN CCOC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccccc1 ZINC000005543485 552504581 /nfs/dbraw/zinc/50/45/81/552504581.db2.gz LMPGZRBXGQHUBL-OAHLLOKOSA-N 0 1 565.145 3.506 40 0 KHABMN CCOC(=O)N1CCN([P@@](=O)(Nc2ccc3nc(NC(=O)OC)[nH]c3c2)Oc2ccccc2)CC1 ZINC000005723175 552507701 /nfs/dbraw/zinc/50/77/01/552507701.db2.gz UJLSCGKUDJOFCY-PGUFJCEWSA-N 0 1 502.468 3.536 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\c4ccccc4)C3=O)cc2)n1 ZINC000006088833 552530628 /nfs/dbraw/zinc/53/06/28/552530628.db2.gz BASVKEFBLMNVRK-MOSHPQCFSA-N 0 1 523.596 3.569 40 0 KHABMN O=C(OC[C@H]1O[C@@H](n2ncc(=S)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000006143110 552544890 /nfs/dbraw/zinc/54/48/90/552544890.db2.gz SZFMEFKXFONLHR-DDKRZIBASA-N 0 1 573.583 3.506 40 0 KHABMN O=C(OC[C@@H]1O[C@@H](n2ncc(=S)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000006143113 552544866 /nfs/dbraw/zinc/54/48/66/552544866.db2.gz SZFMEFKXFONLHR-BELIEFIBSA-N 0 1 573.583 3.506 40 0 KHABMN O=C(OC[C@H]1O[C@@H](n2ncc(=S)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000006143114 552544829 /nfs/dbraw/zinc/54/48/29/552544829.db2.gz SZFMEFKXFONLHR-MJTJJFPGSA-N 0 1 573.583 3.506 40 0 KHABMN O=C(OC[C@@H]1O[C@@H](n2ncc(=S)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000006143115 552544834 /nfs/dbraw/zinc/54/48/34/552544834.db2.gz SZFMEFKXFONLHR-UHRQBARKSA-N 0 1 573.583 3.506 40 0 KHABMN CN1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2)CC1 ZINC000006287953 552578386 /nfs/dbraw/zinc/57/83/86/552578386.db2.gz ZOZZWXIIGHKGES-UHFFFAOYSA-N 0 1 514.820 3.823 40 0 KHABMN CCCCOC[C@H]1C[C@@]2(C[C@@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 ZINC000006480783 552593599 /nfs/dbraw/zinc/59/35/99/552593599.db2.gz KPBXLCZGZGNIOY-JRVVOHRXSA-N 0 1 507.996 3.611 40 0 KHABMN CCCCOC[C@H]1C[C@]2(C[C@@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 ZINC000006480786 552593578 /nfs/dbraw/zinc/59/35/78/552593578.db2.gz KPBXLCZGZGNIOY-ILFDSTAHSA-N 0 1 507.996 3.611 40 0 KHABMN COc1ccccc1N1CCN(C(=O)[C@H]2C[N@H+]3CC[C@H]2C[C@@H]3Cn2cc(CSc3ccccc3)nn2)CC1 ZINC000008254017 1066492239 /nfs/dbraw/zinc/49/22/39/1066492239.db2.gz YQXRSXHDCGSKAA-FBILRYNDSA-N 0 1 532.714 3.638 40 0 biogenic,in-vitro KHABMN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000008299181 552985741 /nfs/dbraw/zinc/98/57/41/552985741.db2.gz YUDFAIUFRMRAJW-QTJGBDASSA-N 0 1 501.631 3.998 40 0 biogenic,in-vitro KHABMN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@H]4CC[N@H+]3C[C@@H]4C(=O)NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000008299184 565093983 /nfs/dbraw/zinc/09/39/83/565093983.db2.gz YUDFAIUFRMRAJW-JRFVFWCSSA-N 0 1 501.631 3.998 40 0 biogenic,in-vitro KHABMN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)n2)cc1OC ZINC000008635507 560107093 /nfs/dbraw/zinc/10/70/93/560107093.db2.gz LEPDNNZUZROFIG-BWAGFHJFSA-N 0 1 550.656 3.738 40 0 biogenic,in-vitro KHABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CNC(=O)c3cc(OC)c(OC)c(OC)c3)n(C)n2)cc1OC ZINC000008635507 560107091 /nfs/dbraw/zinc/10/70/91/560107091.db2.gz LEPDNNZUZROFIG-BWAGFHJFSA-N 0 1 550.656 3.738 40 0 biogenic,in-vitro KHABMN CCOC(=O)N1CCN([P@](=O)(Nc2ccc3nc(NC(=O)OC)[nH]c3c2)Oc2ccccc2)CC1 ZINC000008653319 553108073 /nfs/dbraw/zinc/10/80/73/553108073.db2.gz UJLSCGKUDJOFCY-DHUJRADRSA-N 0 1 502.468 3.536 40 0 KHABMN Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(C)c2c1OC(C)(C)CC2 ZINC000008660390 553108918 /nfs/dbraw/zinc/10/89/18/553108918.db2.gz FOBDSZYESKTHJZ-JOCHJYFZSA-N 0 1 574.700 3.678 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 ZINC000008810763 553148823 /nfs/dbraw/zinc/14/88/23/553148823.db2.gz HFEIJVNSKKDISP-UHFFFAOYSA-N 0 1 506.483 3.822 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810928 553148777 /nfs/dbraw/zinc/14/87/77/553148777.db2.gz DOBWJICDZXWABU-UHFFFAOYSA-N 0 1 506.483 3.822 40 0 KHABMN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccccc32)cc1 ZINC000009046109 553203607 /nfs/dbraw/zinc/20/36/07/553203607.db2.gz NCWMIZJSSSWXSP-VWDBNSKXSA-N 0 1 504.546 3.538 40 0 KHABMN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 ZINC000009046112 553203810 /nfs/dbraw/zinc/20/38/10/553203810.db2.gz NCWMIZJSSSWXSP-NHICWYPXSA-N 0 1 504.546 3.538 40 0 KHABMN CC(C)N(CCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)Cc1ccco1 ZINC000009831386 553309404 /nfs/dbraw/zinc/30/94/04/553309404.db2.gz HFHOSGDEVHSOFC-UHFFFAOYSA-N 0 1 512.614 3.645 40 0 KHABMN Cc1ccc(Cn2c3nnc(CCC(=O)NCCN(Cc4ccco4)C(C)C)n3c3ccccc3c2=O)cc1 ZINC000009831422 553309393 /nfs/dbraw/zinc/30/93/93/553309393.db2.gz BVCSLRKIJDNXBN-UHFFFAOYSA-N 0 1 526.641 3.953 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000010315218 553333233 /nfs/dbraw/zinc/33/32/33/553333233.db2.gz WJVXSOWGAYFMHK-UHFFFAOYSA-N 0 1 503.602 3.737 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000010362886 553335455 /nfs/dbraw/zinc/33/54/55/553335455.db2.gz JXABNUXFWOBNKL-UHFFFAOYSA-N 0 1 503.602 3.737 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000010370697 553335893 /nfs/dbraw/zinc/33/58/93/553335893.db2.gz HQQZICZYYYCXCM-UHFFFAOYSA-N 0 1 503.602 3.737 40 0 KHABMN CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000012485002 553377276 /nfs/dbraw/zinc/37/72/76/553377276.db2.gz UTRITMNEQAFCHO-UHFFFAOYSA-N 0 1 505.662 3.677 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)ccc2Cl)c(C)c1 ZINC000012631569 553405633 /nfs/dbraw/zinc/40/56/33/553405633.db2.gz IFOQWZZEYNJKID-IAAUVJCUSA-N 0 1 514.003 3.503 40 0 KHABMN CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013064423 553443923 /nfs/dbraw/zinc/44/39/23/553443923.db2.gz WHPVSYJLEHUPCT-JTHBVZDNSA-N 0 1 508.623 3.751 40 0 KHABMN CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013064424 553443994 /nfs/dbraw/zinc/44/39/94/553443994.db2.gz WHPVSYJLEHUPCT-GMAHTHKFSA-N 0 1 508.623 3.751 40 0 KHABMN O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000013150696 553456720 /nfs/dbraw/zinc/45/67/20/553456720.db2.gz GLRNHRGZDORCQX-IBGZPJMESA-N 0 1 503.024 3.693 40 0 KHABMN O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000013150697 553456744 /nfs/dbraw/zinc/45/67/44/553456744.db2.gz GLRNHRGZDORCQX-LJQANCHMSA-N 0 1 503.024 3.693 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000014154260 553504173 /nfs/dbraw/zinc/50/41/73/553504173.db2.gz BAHHTIPGVSSKTI-GOSISDBHSA-N 0 1 517.629 3.598 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000014154261 553504179 /nfs/dbraw/zinc/50/41/79/553504179.db2.gz BAHHTIPGVSSKTI-SFHVURJKSA-N 0 1 517.629 3.598 40 0 KHABMN O=C(CN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2O)C1=O)N1CCCCC1 ZINC000015052801 553527149 /nfs/dbraw/zinc/52/71/49/553527149.db2.gz SPLRZARWUOWTTK-QPEQYQDCSA-N 0 1 504.200 3.966 40 0 KHABMN CCOC(=O)CN1c2ccccc2[C@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000015319393 553531724 /nfs/dbraw/zinc/53/17/24/553531724.db2.gz JMXMFWMSRKNQRT-NCSMZBETSA-N 0 1 525.605 3.769 40 0 KHABMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000015319396 553531750 /nfs/dbraw/zinc/53/17/50/553531750.db2.gz JMXMFWMSRKNQRT-JLZOGSKTSA-N 0 1 525.605 3.769 40 0 KHABMN CCOC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015707352 553534725 /nfs/dbraw/zinc/53/47/25/553534725.db2.gz LWKULLCKXQIRPX-IBGZPJMESA-N 0 1 502.487 3.697 40 0 biogenic,in-vitro KHABMN COC(=O)c1cc(NC(=O)c2cc(I)c3ccccc3c2O)cc(C(=O)OC)c1 ZINC000016194022 553556312 /nfs/dbraw/zinc/55/63/12/553556312.db2.gz OOTSEDWMNDQVAT-UHFFFAOYSA-N 0 1 505.264 3.976 40 0 KHABMN Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016385008 553561902 /nfs/dbraw/zinc/56/19/02/553561902.db2.gz QFXNHEJYRCGNLV-UHFFFAOYSA-N 0 1 515.195 3.820 40 0 KHABMN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000019817950 553619016 /nfs/dbraw/zinc/61/90/16/553619016.db2.gz AXRSJOFRAYYSJT-KAYWLYCHSA-N 0 1 526.637 3.809 40 0 KHABMN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000019817953 193886720 /nfs/dbraw/zinc/88/67/20/193886720.db2.gz AXRSJOFRAYYSJT-RRPNLBNLSA-N 0 1 526.637 3.809 40 0 KHABMN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000019817956 553619087 /nfs/dbraw/zinc/61/90/87/553619087.db2.gz AXRSJOFRAYYSJT-SXOMAYOGSA-N 0 1 526.637 3.809 40 0 KHABMN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000019817958 193886890 /nfs/dbraw/zinc/88/68/90/193886890.db2.gz AXRSJOFRAYYSJT-SVBPBHIXSA-N 0 1 526.637 3.809 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000019934680 553636345 /nfs/dbraw/zinc/63/63/45/553636345.db2.gz PWGRRNDHLYQIAW-UHFFFAOYSA-N 0 1 521.020 3.573 40 0 KHABMN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000020037590 553667932 /nfs/dbraw/zinc/66/79/32/553667932.db2.gz NJSBRVAPXDCWQY-UHFFFAOYSA-N 0 1 514.629 3.618 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 ZINC000020060747 553672411 /nfs/dbraw/zinc/67/24/11/553672411.db2.gz PBPPJDMWPQZIMJ-UHFFFAOYSA-N 0 1 517.629 3.518 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000020061199 553674501 /nfs/dbraw/zinc/67/45/01/553674501.db2.gz QAUQYQWBIJTLKC-UHFFFAOYSA-N 0 1 517.629 3.518 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020106289 553690003 /nfs/dbraw/zinc/69/00/03/553690003.db2.gz CFWFRWHRIZNLRG-OAQYLSRUSA-N 0 1 523.036 3.719 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020106291 553690026 /nfs/dbraw/zinc/69/00/26/553690026.db2.gz CFWFRWHRIZNLRG-NRFANRHFSA-N 0 1 523.036 3.719 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3cc(C)c(Br)c(C)c3)cc2)n1 ZINC000020106305 553689965 /nfs/dbraw/zinc/68/99/65/553689965.db2.gz LRSIFNQFLCXAIE-UHFFFAOYSA-N 0 1 505.394 3.983 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)c1 ZINC000020107254 553690199 /nfs/dbraw/zinc/69/01/99/553690199.db2.gz RZTNEQPMAUHYQT-UHFFFAOYSA-N 0 1 511.600 3.589 40 0 KHABMN CC[C@@H](OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000020347400 553640096 /nfs/dbraw/zinc/64/00/96/553640096.db2.gz NBPFHMQFQYDYGP-RPLLCQBOSA-N 0 1 501.627 3.582 40 0 KHABMN CC[C@H](OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000020347402 553640030 /nfs/dbraw/zinc/64/00/30/553640030.db2.gz NBPFHMQFQYDYGP-IGKIAQTJSA-N 0 1 501.627 3.582 40 0 KHABMN CC[C@@H](OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000020347404 553639980 /nfs/dbraw/zinc/63/99/80/553639980.db2.gz NBPFHMQFQYDYGP-SHQCIBLASA-N 0 1 501.627 3.582 40 0 KHABMN CC[C@H](OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccccc1 ZINC000020347405 553640013 /nfs/dbraw/zinc/64/00/13/553640013.db2.gz NBPFHMQFQYDYGP-SQHAQQRYSA-N 0 1 501.627 3.582 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020450570 553651050 /nfs/dbraw/zinc/65/10/50/553651050.db2.gz DOLXEJPZHIOGIR-HXUWFJFHSA-N 0 1 523.036 3.719 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020450572 553651057 /nfs/dbraw/zinc/65/10/57/553651057.db2.gz DOLXEJPZHIOGIR-FQEVSTJZSA-N 0 1 523.036 3.719 40 0 KHABMN CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1 ZINC000020453402 553651939 /nfs/dbraw/zinc/65/19/39/553651939.db2.gz LXPPMFKUDNDZCW-UHFFFAOYSA-N 0 1 516.645 3.585 40 0 KHABMN Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1C ZINC000020453959 553652264 /nfs/dbraw/zinc/65/22/64/553652264.db2.gz JVQBGQYEHAPOSE-UHFFFAOYSA-N 0 1 516.645 3.684 40 0 KHABMN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(C)(=O)=O ZINC000020481051 553657718 /nfs/dbraw/zinc/65/77/18/553657718.db2.gz LVYGVKBHMUFXHI-MRXNPFEDSA-N 0 1 523.036 3.637 40 0 KHABMN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(C)(=O)=O ZINC000020481053 553657707 /nfs/dbraw/zinc/65/77/07/553657707.db2.gz LVYGVKBHMUFXHI-INIZCTEOSA-N 0 1 523.036 3.637 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020483511 553658663 /nfs/dbraw/zinc/65/86/63/553658663.db2.gz RQALAVQDHJAKPZ-HXUWFJFHSA-N 0 1 523.036 3.719 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020483513 553658591 /nfs/dbraw/zinc/65/85/91/553658591.db2.gz RQALAVQDHJAKPZ-FQEVSTJZSA-N 0 1 523.036 3.719 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)c(OC)c1 ZINC000020483722 553658611 /nfs/dbraw/zinc/65/86/11/553658611.db2.gz JDJJOKFTUPXRDW-UHFFFAOYSA-N 0 1 509.584 3.879 40 0 KHABMN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)c1 ZINC000020490470 553660420 /nfs/dbraw/zinc/66/04/20/553660420.db2.gz NOBBXUPHUGKSQZ-UHFFFAOYSA-N 0 1 516.645 3.684 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Br)cc3)cc2)n1 ZINC000020495517 553667583 /nfs/dbraw/zinc/66/75/83/553667583.db2.gz KRGMOMJKSRWDRB-UHFFFAOYSA-N 0 1 511.423 3.599 40 0 KHABMN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020637162 553681437 /nfs/dbraw/zinc/68/14/37/553681437.db2.gz AGZKYVZJUCJVEM-WOJBJXKFSA-N 0 1 508.928 3.887 40 0 KHABMN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020637164 553681457 /nfs/dbraw/zinc/68/14/57/553681457.db2.gz AGZKYVZJUCJVEM-VQTJNVASSA-N 0 1 508.928 3.887 40 0 KHABMN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)N[C@H]1c1ccc(Cl)cc1 ZINC000020637167 553681481 /nfs/dbraw/zinc/68/14/81/553681481.db2.gz AGZKYVZJUCJVEM-UXHICEINSA-N 0 1 508.928 3.887 40 0 KHABMN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)N[C@H]1c1ccc(Cl)cc1 ZINC000020637169 553681479 /nfs/dbraw/zinc/68/14/79/553681479.db2.gz AGZKYVZJUCJVEM-PMACEKPBSA-N 0 1 508.928 3.887 40 0 KHABMN Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1 ZINC000022061375 553725153 /nfs/dbraw/zinc/72/51/53/553725153.db2.gz QEQWNPDNPZKKNH-UHFFFAOYSA-N 0 1 509.614 3.829 40 0 in-vitro KHABMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000022520193 553744351 /nfs/dbraw/zinc/74/43/51/553744351.db2.gz OAUHALZQLFURCQ-UHFFFAOYSA-N 0 1 514.629 3.618 40 0 KHABMN CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(Br)c1 ZINC000022527813 553745192 /nfs/dbraw/zinc/74/51/92/553745192.db2.gz VEJZBKYTFKUDEC-UHFFFAOYSA-N 0 1 505.394 3.928 40 0 KHABMN Fc1ccc(NC(=S)NCCCN2CCN(CCCNC(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000022584823 553747512 /nfs/dbraw/zinc/74/75/12/553747512.db2.gz GHCBMIVHVFPAAK-UHFFFAOYSA-N 0 1 506.692 3.636 40 0 KHABMN COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022871802 553765833 /nfs/dbraw/zinc/76/58/33/553765833.db2.gz TYWJUNUMVSKRKJ-PMERELPUSA-N 0 1 549.679 3.966 40 0 KHABMN COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022871855 553765839 /nfs/dbraw/zinc/76/58/39/553765839.db2.gz TYWJUNUMVSKRKJ-SSEXGKCCSA-N 0 1 549.679 3.966 40 0 KHABMN COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022872837 553766222 /nfs/dbraw/zinc/76/62/22/553766222.db2.gz XYJIJTJDCSFARP-PMERELPUSA-N 0 1 549.679 3.966 40 0 KHABMN COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022872896 553766070 /nfs/dbraw/zinc/76/60/70/553766070.db2.gz XYJIJTJDCSFARP-SSEXGKCCSA-N 0 1 549.679 3.966 40 0 KHABMN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022914733 553766582 /nfs/dbraw/zinc/76/65/82/553766582.db2.gz CMNNHTKQYWQTPY-KUYHAWHLSA-N 0 1 519.686 3.646 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 ZINC000026116788 553816472 /nfs/dbraw/zinc/81/64/72/553816472.db2.gz PUQAODLGCOUQDT-UHFFFAOYSA-N 0 1 508.618 3.639 40 0 KHABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000026119108 553817234 /nfs/dbraw/zinc/81/72/34/553817234.db2.gz OIJFRRBMEOUHGN-UHFFFAOYSA-N 0 1 520.629 3.655 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026119318 553817548 /nfs/dbraw/zinc/81/75/48/553817548.db2.gz LQGQJLDIIZJWLM-UHFFFAOYSA-N 0 1 522.645 3.885 40 0 KHABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000026120529 553817892 /nfs/dbraw/zinc/81/78/92/553817892.db2.gz PYNKMDJFOVORMN-UHFFFAOYSA-N 0 1 520.629 3.799 40 0 KHABMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1C(=O)NC(C)=C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000027232016 553825208 /nfs/dbraw/zinc/82/52/08/553825208.db2.gz JAYFOFFNNPAGBT-OAQYLSRUSA-N 0 1 527.599 3.978 40 0 KHABMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1C(=O)NC(C)=C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000027232023 553825249 /nfs/dbraw/zinc/82/52/49/553825249.db2.gz JAYFOFFNNPAGBT-NRFANRHFSA-N 0 1 527.599 3.978 40 0 KHABMN Cc1ccc(OCC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1C ZINC000028295331 553841744 /nfs/dbraw/zinc/84/17/44/553841744.db2.gz NBFVLPNUVVYAQF-XMMPIXPASA-N 0 1 501.627 3.500 40 0 KHABMN Cc1ccc(OCC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1C ZINC000028295333 553841803 /nfs/dbraw/zinc/84/18/03/553841803.db2.gz NBFVLPNUVVYAQF-DEOSSOPVSA-N 0 1 501.627 3.500 40 0 KHABMN CCN(CC)C(=O)CN1c2ccccc2[C@]2(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000029748778 553850066 /nfs/dbraw/zinc/85/00/66/553850066.db2.gz NARPJTZOCATBAH-HHPKZISASA-N 0 1 589.696 3.594 40 0 KHABMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000029748780 553850118 /nfs/dbraw/zinc/85/01/18/553850118.db2.gz NARPJTZOCATBAH-IPONXPDWSA-N 0 1 589.696 3.594 40 0 KHABMN Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)cc1C ZINC000030754374 553856217 /nfs/dbraw/zinc/85/62/17/553856217.db2.gz YDNZYOGTAJWGSO-UHFFFAOYSA-N 0 1 516.645 3.684 40 0 KHABMN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)cc1 ZINC000030754844 553856468 /nfs/dbraw/zinc/85/64/68/553856468.db2.gz HHKYMBZMBQRPNU-UHFFFAOYSA-N 0 1 504.586 3.533 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000030757223 553856861 /nfs/dbraw/zinc/85/68/61/553856861.db2.gz HADWUCIGUWQGCK-UHFFFAOYSA-N 0 1 521.020 3.573 40 0 KHABMN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(C)(=O)=O ZINC000030851499 553857955 /nfs/dbraw/zinc/85/79/55/553857955.db2.gz JVQYJQHANVMUAT-MRXNPFEDSA-N 0 1 523.036 3.637 40 0 KHABMN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(C)(=O)=O ZINC000030851502 553858043 /nfs/dbraw/zinc/85/80/43/553858043.db2.gz JVQYJQHANVMUAT-INIZCTEOSA-N 0 1 523.036 3.637 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000030860744 553859189 /nfs/dbraw/zinc/85/91/89/553859189.db2.gz LMXFLEGNURVGCJ-OAQYLSRUSA-N 0 1 523.036 3.719 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000030860750 553859322 /nfs/dbraw/zinc/85/93/22/553859322.db2.gz LMXFLEGNURVGCJ-NRFANRHFSA-N 0 1 523.036 3.719 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)c(OC)c1 ZINC000030867482 553859830 /nfs/dbraw/zinc/85/98/30/553859830.db2.gz AKLGDOCNGLLFOI-UHFFFAOYSA-N 0 1 511.600 3.589 40 0 KHABMN CCCCn1c(O)c(/C=C/C=C2C(=O)N(CCCC)C(=O)N(CCCC)C2=O)c(=O)n(CCCC)c1=O ZINC000033364570 553957602 /nfs/dbraw/zinc/95/76/02/553957602.db2.gz VIOJNMVMOZPCTD-BUHFOSPRSA-N 0 1 516.639 3.646 40 0 KHABMN CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000033937019 553978142 /nfs/dbraw/zinc/97/81/42/553978142.db2.gz WHPVSYJLEHUPCT-GGAORHGYSA-N 0 1 508.623 3.751 40 0 KHABMN CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000033937020 553978305 /nfs/dbraw/zinc/97/83/05/553978305.db2.gz WHPVSYJLEHUPCT-FYYLOGMGSA-N 0 1 508.623 3.751 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)ccc2Cl)c(C)c1 ZINC000034802298 554009211 /nfs/dbraw/zinc/00/92/11/554009211.db2.gz IFOQWZZEYNJKID-YJEDKTMASA-N 0 1 514.003 3.503 40 0 KHABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2cc(I)ccc2Cl)CC1 ZINC000034895821 554023636 /nfs/dbraw/zinc/02/36/36/554023636.db2.gz OLELTQUVPIICDU-UHFFFAOYSA-N 0 1 514.820 3.823 40 0 KHABMN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000037530408 554250814 /nfs/dbraw/zinc/25/08/14/554250814.db2.gz CMNNHTKQYWQTPY-BJZBFFFZSA-N 0 1 519.686 3.646 40 0 KHABMN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000037530411 554250786 /nfs/dbraw/zinc/25/07/86/554250786.db2.gz CMNNHTKQYWQTPY-SHKNJONVSA-N 0 1 519.686 3.646 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000038755812 554276701 /nfs/dbraw/zinc/27/67/01/554276701.db2.gz XPLYDJDOLUCIJG-UHFFFAOYSA-N 0 1 515.613 3.732 40 0 KHABMN CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000043206033 554298003 /nfs/dbraw/zinc/29/80/03/554298003.db2.gz AOMXMOCNKJTRQP-UHFFFAOYSA-N 0 1 623.642 3.751 40 0 investigational KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000044838773 554303793 /nfs/dbraw/zinc/30/37/93/554303793.db2.gz OFXXDDGRRBMPSH-UHFFFAOYSA-N 0 1 521.020 3.573 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000044844397 554304348 /nfs/dbraw/zinc/30/43/48/554304348.db2.gz OPFCVKZRUXWCAW-UHFFFAOYSA-N 0 1 508.581 3.936 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044850258 554305326 /nfs/dbraw/zinc/30/53/26/554305326.db2.gz ROUTXKOKAQHOLE-QFIPXVFZSA-N 0 1 516.645 3.683 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044850262 554305334 /nfs/dbraw/zinc/30/53/34/554305334.db2.gz ROUTXKOKAQHOLE-JOCHJYFZSA-N 0 1 516.645 3.683 40 0 KHABMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000044880230 554307197 /nfs/dbraw/zinc/30/71/97/554307197.db2.gz NCYTZUTXCHBJOC-UHFFFAOYSA-N 0 1 514.629 3.618 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044883398 554307618 /nfs/dbraw/zinc/30/76/18/554307618.db2.gz SKHRGDXNPZSWDF-QHCPKHFHSA-N 0 1 516.645 3.683 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044883400 554307533 /nfs/dbraw/zinc/30/75/33/554307533.db2.gz SKHRGDXNPZSWDF-HSZRJFAPSA-N 0 1 516.645 3.683 40 0 KHABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000044899852 554308094 /nfs/dbraw/zinc/30/80/94/554308094.db2.gz CIGFSUJTMXAQBS-UHFFFAOYSA-N 0 1 517.629 3.743 40 0 KHABMN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1 ZINC000044947389 554310330 /nfs/dbraw/zinc/31/03/30/554310330.db2.gz VBVNHCYBFSONIZ-UHFFFAOYSA-N 0 1 516.645 3.684 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000057312871 554353724 /nfs/dbraw/zinc/35/37/24/554353724.db2.gz QGSATBRTFYJRSF-UHFFFAOYSA-N 0 1 511.431 3.667 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000057313935 554354284 /nfs/dbraw/zinc/35/42/84/554354284.db2.gz TXVGZZYIQSCVFK-UHFFFAOYSA-N 0 1 513.763 3.735 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000057315886 554354624 /nfs/dbraw/zinc/35/46/24/554354624.db2.gz KLSMLVXRMQMLLT-UHFFFAOYSA-N 0 1 518.639 3.931 40 0 KHABMN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000059781969 554430408 /nfs/dbraw/zinc/43/04/08/554430408.db2.gz QDEAHWIFZJRBBX-HKBQPEDESA-N 0 1 575.713 3.903 40 0 KHABMN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000059781973 554430357 /nfs/dbraw/zinc/43/03/57/554430357.db2.gz QDEAHWIFZJRBBX-WJOKGBTCSA-N 0 1 575.713 3.903 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059852342 554450918 /nfs/dbraw/zinc/45/09/18/554450918.db2.gz RPYJLYIPZOKDIF-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)n1 ZINC000059852346 554451017 /nfs/dbraw/zinc/45/10/17/554451017.db2.gz JGDYUEHHIBKWPB-UHFFFAOYSA-N 0 1 582.079 3.559 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccccc2)cc1 ZINC000059852353 554450923 /nfs/dbraw/zinc/45/09/23/554450923.db2.gz LLUZQMBMBPQGLA-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000059852421 554451222 /nfs/dbraw/zinc/45/12/22/554451222.db2.gz QFICRYXBBWAYEC-UHFFFAOYSA-N 0 1 591.715 3.641 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)n1 ZINC000059852477 554451559 /nfs/dbraw/zinc/45/15/59/554451559.db2.gz DDFJMRXCMUGJLH-UHFFFAOYSA-N 0 1 552.078 3.733 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)n1 ZINC000059852501 554451591 /nfs/dbraw/zinc/45/15/91/554451591.db2.gz QLTNYSGHBSPMFM-UHFFFAOYSA-N 0 1 564.089 3.587 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000059852529 554451535 /nfs/dbraw/zinc/45/15/35/554451535.db2.gz SXNKWDQJVZCZNL-UHFFFAOYSA-N 0 1 584.507 3.765 40 0 KHABMN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000059852582 554451824 /nfs/dbraw/zinc/45/18/24/554451824.db2.gz FDQHHEAGGBEVTL-UHFFFAOYSA-N 0 1 540.598 3.856 40 0 KHABMN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccccc1 ZINC000059852595 554451878 /nfs/dbraw/zinc/45/18/78/554451878.db2.gz ZSVISDQZNAFTQU-UHFFFAOYSA-N 0 1 552.634 3.725 40 0 KHABMN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000059852621 554452153 /nfs/dbraw/zinc/45/21/53/554452153.db2.gz ZVEOHZZPUAHRGM-UHFFFAOYSA-N 0 1 528.656 3.864 40 0 KHABMN COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)cc1Cl ZINC000059852717 554452455 /nfs/dbraw/zinc/45/24/55/554452455.db2.gz GFRVTMSPGUSNMS-UHFFFAOYSA-N 0 1 553.062 3.729 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1 ZINC000059852728 554452399 /nfs/dbraw/zinc/45/23/99/554452399.db2.gz WWAJOAFXWGNAKR-UHFFFAOYSA-N 0 1 558.469 3.606 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)c(OC)c1 ZINC000059852741 554452426 /nfs/dbraw/zinc/45/24/26/554452426.db2.gz PYHHJSCAELOZJM-UHFFFAOYSA-N 0 1 540.019 3.782 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059852754 554452673 /nfs/dbraw/zinc/45/26/73/554452673.db2.gz MVDKZRQUOSHJDE-UHFFFAOYSA-N 0 1 611.702 3.745 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3C)cc2)n1 ZINC000059852824 554452952 /nfs/dbraw/zinc/45/29/52/554452952.db2.gz RLPMOFGYPPOFHA-UHFFFAOYSA-N 0 1 543.671 3.711 40 0 KHABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059852859 554452878 /nfs/dbraw/zinc/45/28/78/554452878.db2.gz CQHPABSRMRRPHY-UHFFFAOYSA-N 0 1 599.666 3.958 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)n1 ZINC000059852883 554452903 /nfs/dbraw/zinc/45/29/03/554452903.db2.gz JCMJGTBTVMSQOT-SANMLTNESA-N 0 1 593.687 3.630 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)n1 ZINC000059852886 554453005 /nfs/dbraw/zinc/45/30/05/554453005.db2.gz JCMJGTBTVMSQOT-AREMUKBSSA-N 0 1 593.687 3.630 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000059852895 554452919 /nfs/dbraw/zinc/45/29/19/554452919.db2.gz MXHGDILNRHRUGG-UHFFFAOYSA-N 0 1 544.655 3.708 40 0 KHABMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000059852907 554453321 /nfs/dbraw/zinc/45/33/21/554453321.db2.gz RFUVGDMWLLMGRJ-AWEZNQCLSA-N 0 1 543.454 3.982 40 0 KHABMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000059852909 554453338 /nfs/dbraw/zinc/45/33/38/554453338.db2.gz RFUVGDMWLLMGRJ-CQSZACIVSA-N 0 1 543.454 3.982 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059852980 554453286 /nfs/dbraw/zinc/45/32/86/554453286.db2.gz YNTZIZJHQQISBC-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2)n1 ZINC000059852985 554453553 /nfs/dbraw/zinc/45/35/53/554453553.db2.gz SPCVLXDTSUIAMP-UHFFFAOYSA-N 0 1 550.062 3.584 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)n1 ZINC000059853046 554453626 /nfs/dbraw/zinc/45/36/26/554453626.db2.gz IRJXRSDEHOCBDJ-UHFFFAOYSA-N 0 1 537.623 3.667 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000059853054 554453572 /nfs/dbraw/zinc/45/35/72/554453572.db2.gz IYMGJOWGSMJQMI-HSZRJFAPSA-N 0 1 586.051 3.526 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000059853058 554453591 /nfs/dbraw/zinc/45/35/91/554453591.db2.gz IYMGJOWGSMJQMI-QHCPKHFHSA-N 0 1 586.051 3.526 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000059853180 554453848 /nfs/dbraw/zinc/45/38/48/554453848.db2.gz MTDSYZUBFOILGI-UHFFFAOYSA-N 0 1 566.661 3.866 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cccc(Cl)c2)cc1 ZINC000059853364 554454119 /nfs/dbraw/zinc/45/41/19/554454119.db2.gz VWFVITASCTUNMZ-UHFFFAOYSA-N 0 1 588.067 3.773 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)cc2)n1 ZINC000059853370 554454127 /nfs/dbraw/zinc/45/41/27/554454127.db2.gz TYGBGWRGTYDIII-UHFFFAOYSA-N 0 1 564.089 3.912 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000059853396 554454024 /nfs/dbraw/zinc/45/40/24/554454024.db2.gz FPTSXGQHRZNWDC-RUZDIDTESA-N 0 1 564.645 3.619 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000059853400 554454113 /nfs/dbraw/zinc/45/41/13/554454113.db2.gz FPTSXGQHRZNWDC-VWLOTQADSA-N 0 1 564.645 3.619 40 0 KHABMN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000059853409 554454101 /nfs/dbraw/zinc/45/41/01/554454101.db2.gz ZMKWUNCKAXNPPD-UHFFFAOYSA-N 0 1 522.608 3.716 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059853430 554454435 /nfs/dbraw/zinc/45/44/35/554454435.db2.gz MQMXWWNTRDSVIV-UHFFFAOYSA-N 0 1 569.640 3.867 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000059853518 554454390 /nfs/dbraw/zinc/45/43/90/554454390.db2.gz XGAPAJJMYYQKJO-UHFFFAOYSA-N 0 1 535.047 3.963 40 0 KHABMN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccccc1 ZINC000059853641 554454668 /nfs/dbraw/zinc/45/46/68/554454668.db2.gz VDHMGHJITZQIIV-UHFFFAOYSA-N 0 1 588.067 3.773 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000059858698 554456192 /nfs/dbraw/zinc/45/61/92/554456192.db2.gz LWMMCPDSHUIRKV-UHFFFAOYSA-N 0 1 554.046 3.563 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 ZINC000059881401 554456961 /nfs/dbraw/zinc/45/69/61/554456961.db2.gz IAQTYOPGHSPIFJ-UHFFFAOYSA-N 0 1 547.655 3.526 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(C)(=O)=O)cc2)c1 ZINC000059882183 554457722 /nfs/dbraw/zinc/45/77/22/554457722.db2.gz FYSPAGQBOSGKMF-UHFFFAOYSA-N 0 1 584.072 3.571 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000059882374 554458105 /nfs/dbraw/zinc/45/81/05/554458105.db2.gz BYCKVPYGXGHCMJ-UHFFFAOYSA-N 0 1 568.073 3.871 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)c1 ZINC000059882470 554458452 /nfs/dbraw/zinc/45/84/52/554458452.db2.gz CLIRCFPTSLDKTD-UHFFFAOYSA-N 0 1 547.655 3.526 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000059882709 554458729 /nfs/dbraw/zinc/45/87/29/554458729.db2.gz UDFLKVIDUTWVOB-UHFFFAOYSA-N 0 1 531.656 3.826 40 0 KHABMN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1 ZINC000059882905 554459204 /nfs/dbraw/zinc/45/92/04/554459204.db2.gz LMORHHUYBPHGKM-GOSISDBHSA-N 0 1 547.655 3.606 40 0 KHABMN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1 ZINC000059882908 554459258 /nfs/dbraw/zinc/45/92/58/554459258.db2.gz LMORHHUYBPHGKM-SFHVURJKSA-N 0 1 547.655 3.606 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000059882947 554459222 /nfs/dbraw/zinc/45/92/22/554459222.db2.gz MWDJSZFAOKWEID-UHFFFAOYSA-N 0 1 531.656 3.826 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 ZINC000059883218 554459980 /nfs/dbraw/zinc/45/99/80/554459980.db2.gz UVORJIYYHZXRMY-UHFFFAOYSA-N 0 1 582.498 3.972 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000059883260 554459900 /nfs/dbraw/zinc/45/99/00/554459900.db2.gz NPENHQPUSFADFL-UHFFFAOYSA-N 0 1 568.073 3.871 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 ZINC000059883458 554460614 /nfs/dbraw/zinc/46/06/14/554460614.db2.gz OGAPSCVJQAWDTP-UHFFFAOYSA-N 0 1 587.598 3.928 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000059883719 554460880 /nfs/dbraw/zinc/46/08/80/554460880.db2.gz GQCXPGXPLTUTOK-UHFFFAOYSA-N 0 1 554.046 3.563 40 0 KHABMN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1)S(C)(=O)=O ZINC000059884318 554462050 /nfs/dbraw/zinc/46/20/50/554462050.db2.gz ISYOVJQIGUNFGQ-UHFFFAOYSA-N 0 1 531.656 3.772 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000059885016 554463931 /nfs/dbraw/zinc/46/39/31/554463931.db2.gz ACWFQOYVRKLGOW-UHFFFAOYSA-N 0 1 554.046 3.563 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000059885390 554464434 /nfs/dbraw/zinc/46/44/34/554464434.db2.gz FCDKMVCDCBWMJO-UHFFFAOYSA-N 0 1 547.655 3.526 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000059885423 554464391 /nfs/dbraw/zinc/46/43/91/554464391.db2.gz DWEXJFAIAOFFKW-UHFFFAOYSA-N 0 1 584.072 3.571 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000059886142 554466106 /nfs/dbraw/zinc/46/61/06/554466106.db2.gz YERMEWROSPOTCY-UHFFFAOYSA-N 0 1 538.047 3.863 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)c1 ZINC000059886336 554466631 /nfs/dbraw/zinc/46/66/31/554466631.db2.gz ILIAHWXWEFEAHD-UHFFFAOYSA-N 0 1 568.073 3.871 40 0 KHABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1 ZINC000059886428 554466774 /nfs/dbraw/zinc/46/67/74/554466774.db2.gz FBXYIMGPRYJEFR-UHFFFAOYSA-N 0 1 547.655 3.608 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1Cl ZINC000059886557 554466931 /nfs/dbraw/zinc/46/69/31/554466931.db2.gz YORCZSFIXHMIEW-UHFFFAOYSA-N 0 1 568.073 3.871 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)c1 ZINC000059886900 554467645 /nfs/dbraw/zinc/46/76/45/554467645.db2.gz KQVFUTBVYVRQEJ-UHFFFAOYSA-N 0 1 598.497 3.672 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)c1 ZINC000059887312 554468704 /nfs/dbraw/zinc/46/87/04/554468704.db2.gz LWPXKOFUBGVYDR-UHFFFAOYSA-N 0 1 598.497 3.672 40 0 KHABMN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1 ZINC000059887338 554468730 /nfs/dbraw/zinc/46/87/30/554468730.db2.gz WCWJFMOXPPJPQC-IBGZPJMESA-N 0 1 561.682 3.996 40 0 KHABMN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1 ZINC000059887342 554468723 /nfs/dbraw/zinc/46/87/23/554468723.db2.gz WCWJFMOXPPJPQC-LJQANCHMSA-N 0 1 561.682 3.996 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 ZINC000059887584 554469073 /nfs/dbraw/zinc/46/90/73/554469073.db2.gz YLZCZHSHRUAIKL-UHFFFAOYSA-N 0 1 547.655 3.526 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)c1 ZINC000059887702 554469237 /nfs/dbraw/zinc/46/92/37/554469237.db2.gz STNZXRZDUYECKU-UHFFFAOYSA-N 0 1 598.497 3.672 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000059887714 554469281 /nfs/dbraw/zinc/46/92/81/554469281.db2.gz IUCZIFQFJPIDIG-UHFFFAOYSA-N 0 1 582.498 3.972 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)c1 ZINC000059887811 554469648 /nfs/dbraw/zinc/46/96/48/554469648.db2.gz HKLWWUPPFIBZFH-UHFFFAOYSA-N 0 1 547.655 3.526 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000059887862 554469610 /nfs/dbraw/zinc/46/96/10/554469610.db2.gz ZIMOXNAKNKDYJE-UHFFFAOYSA-N 0 1 531.656 3.826 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)cc2)c1 ZINC000059888244 554470618 /nfs/dbraw/zinc/47/06/18/554470618.db2.gz KROHTSIJAMMFMR-UHFFFAOYSA-N 0 1 568.073 3.871 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000059888253 554470695 /nfs/dbraw/zinc/47/06/95/554470695.db2.gz PTFMYSOOKCVGKD-UHFFFAOYSA-N 0 1 568.073 3.871 40 0 KHABMN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(C)(=O)=O)cc1 ZINC000059888861 554471718 /nfs/dbraw/zinc/47/17/18/554471718.db2.gz BPPIUYMEHMTCLW-SFHVURJKSA-N 0 1 577.681 3.697 40 0 KHABMN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(C)(=O)=O)cc1 ZINC000059888864 554471786 /nfs/dbraw/zinc/47/17/86/554471786.db2.gz BPPIUYMEHMTCLW-GOSISDBHSA-N 0 1 577.681 3.697 40 0 KHABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059922848 554472659 /nfs/dbraw/zinc/47/26/59/554472659.db2.gz MUOPSXAARAEUMN-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2C)cc1 ZINC000059922958 554472683 /nfs/dbraw/zinc/47/26/83/554472683.db2.gz HVMCOQHLOHUGEU-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000059923046 554472834 /nfs/dbraw/zinc/47/28/34/554472834.db2.gz OTAFMNSVCZLBCE-UHFFFAOYSA-N 0 1 522.608 3.963 40 0 KHABMN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2)cc1 ZINC000059923068 554472895 /nfs/dbraw/zinc/47/28/95/554472895.db2.gz VGKVSGFFVXDASF-UHFFFAOYSA-N 0 1 567.649 3.672 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)n1 ZINC000059923267 554473261 /nfs/dbraw/zinc/47/32/61/554473261.db2.gz SWAFYVOBOANWOA-UHFFFAOYSA-N 0 1 545.687 3.596 40 0 KHABMN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(=O)(=O)c1ccccc1 ZINC000059923522 554473440 /nfs/dbraw/zinc/47/34/40/554473440.db2.gz NAPXOZFHYWTNNI-UHFFFAOYSA-N 0 1 565.677 3.982 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)cc2)n1 ZINC000059923679 554473737 /nfs/dbraw/zinc/47/37/37/554473737.db2.gz CLRZQKHQPRXGTF-UHFFFAOYSA-N 0 1 569.640 3.943 40 0 KHABMN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000059923745 554474010 /nfs/dbraw/zinc/47/40/10/554474010.db2.gz RYZOBTOXVVYWFN-UHFFFAOYSA-N 0 1 598.634 3.627 40 0 KHABMN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000059923867 554474401 /nfs/dbraw/zinc/47/44/01/554474401.db2.gz BOPUOZKSCDXRCT-UHFFFAOYSA-N 0 1 528.656 3.864 40 0 KHABMN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000059923873 554474487 /nfs/dbraw/zinc/47/44/87/554474487.db2.gz CIEDYLFVRBJDNW-UHFFFAOYSA-N 0 1 551.650 3.972 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000059924053 554474739 /nfs/dbraw/zinc/47/47/39/554474739.db2.gz QEMDZKCNJDPDAN-UHFFFAOYSA-N 0 1 573.697 3.576 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2)n1 ZINC000059924071 554474630 /nfs/dbraw/zinc/47/46/30/554474630.db2.gz VUZIKTGNBKIACG-UHFFFAOYSA-N 0 1 553.597 3.539 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000059924086 554474751 /nfs/dbraw/zinc/47/47/51/554474751.db2.gz YUFYTTMYFFHNOG-UHFFFAOYSA-N 0 1 535.047 3.963 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(F)cc2)cc1 ZINC000059924091 554474654 /nfs/dbraw/zinc/47/46/54/554474654.db2.gz GFAMUMFDRKNJPT-UHFFFAOYSA-N 0 1 599.666 3.876 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1 ZINC000059924135 554474791 /nfs/dbraw/zinc/47/47/91/554474791.db2.gz XTXLLJBZJQPKPR-UHFFFAOYSA-N 0 1 550.062 3.666 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000059924150 554474699 /nfs/dbraw/zinc/47/46/99/554474699.db2.gz WBGVVVBUORAADC-UHFFFAOYSA-N 0 1 544.655 3.564 40 0 KHABMN CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059924202 554474960 /nfs/dbraw/zinc/47/49/60/554474960.db2.gz JGPLONFOKFVDSE-UHFFFAOYSA-N 0 1 565.677 3.982 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1 ZINC000059924218 554475110 /nfs/dbraw/zinc/47/51/10/554475110.db2.gz AIOJJOXJNDDOHX-UHFFFAOYSA-N 0 1 564.089 3.975 40 0 KHABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059924255 554475093 /nfs/dbraw/zinc/47/50/93/554475093.db2.gz PNXMBHZETQZOFB-UHFFFAOYSA-N 0 1 567.649 3.510 40 0 KHABMN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000059924380 554475270 /nfs/dbraw/zinc/47/52/70/554475270.db2.gz OJZMBIJNKDINTE-UHFFFAOYSA-N 0 1 555.613 3.635 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cccc(Cl)c1Cl ZINC000059924424 554475304 /nfs/dbraw/zinc/47/53/04/554475304.db2.gz BEWXOSNPQDJXOJ-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059924459 554475484 /nfs/dbraw/zinc/47/54/84/554475484.db2.gz ZZAXQAQMOONADB-UHFFFAOYSA-N 0 1 551.650 3.972 40 0 KHABMN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000059924785 554476087 /nfs/dbraw/zinc/47/60/87/554476087.db2.gz MLXLHOHVLWFUHK-UHFFFAOYSA-N 0 1 537.623 3.663 40 0 KHABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000060017925 554488556 /nfs/dbraw/zinc/48/85/56/554488556.db2.gz DARCSEQSULKREP-UHFFFAOYSA-N 0 1 555.613 3.559 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccccc2)cc1 ZINC000060017961 554488744 /nfs/dbraw/zinc/48/87/44/554488744.db2.gz GTSGVECPYXNWQA-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000060017973 554488730 /nfs/dbraw/zinc/48/87/30/554488730.db2.gz BHDPDGMPJOCMQR-UHFFFAOYSA-N 0 1 567.064 3.855 40 0 KHABMN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000060018062 554489122 /nfs/dbraw/zinc/48/91/22/554489122.db2.gz PDXRJXATSSXTLA-UHFFFAOYSA-N 0 1 540.598 3.856 40 0 KHABMN COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000060018094 554489105 /nfs/dbraw/zinc/48/91/05/554489105.db2.gz DIHXABGIPBFFEW-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)n1 ZINC000060018106 554489210 /nfs/dbraw/zinc/48/92/10/554489210.db2.gz AWTRQVGSWDGJAU-UHFFFAOYSA-N 0 1 558.469 3.606 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000060018185 554489163 /nfs/dbraw/zinc/48/91/63/554489163.db2.gz DEOOSOSPDLROET-UHFFFAOYSA-N 0 1 544.655 3.708 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)n1 ZINC000060018389 554489391 /nfs/dbraw/zinc/48/93/91/554489391.db2.gz UCFVEDRJEWTGCQ-UHFFFAOYSA-N 0 1 543.671 3.630 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000060018560 554490045 /nfs/dbraw/zinc/49/00/45/554490045.db2.gz UMNSXGODVSXDLZ-INIZCTEOSA-N 0 1 584.507 3.765 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000060018568 554490018 /nfs/dbraw/zinc/49/00/18/554490018.db2.gz UMNSXGODVSXDLZ-MRXNPFEDSA-N 0 1 584.507 3.765 40 0 KHABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2)cc1 ZINC000060018655 554490058 /nfs/dbraw/zinc/49/00/58/554490058.db2.gz BZUHFMHZMKGDPL-UHFFFAOYSA-N 0 1 567.649 3.510 40 0 KHABMN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccccc1 ZINC000060028134 554490407 /nfs/dbraw/zinc/49/04/07/554490407.db2.gz YVDQYOVTDPQOHO-UHFFFAOYSA-N 0 1 551.650 3.674 40 0 KHABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(=O)(=O)c1ccccc1 ZINC000060028157 554490418 /nfs/dbraw/zinc/49/04/18/554490418.db2.gz RAYBHBAZSSWOPG-UHFFFAOYSA-N 0 1 581.676 3.819 40 0 KHABMN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)Oc3ccccc32)cc1 ZINC000060028181 554490810 /nfs/dbraw/zinc/49/08/10/554490810.db2.gz LDGMOMSOIWKIMJ-RUZDIDTESA-N 0 1 564.645 3.786 40 0 KHABMN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)Oc3ccccc32)cc1 ZINC000060028182 554490834 /nfs/dbraw/zinc/49/08/34/554490834.db2.gz LDGMOMSOIWKIMJ-VWLOTQADSA-N 0 1 564.645 3.786 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060028223 554491460 /nfs/dbraw/zinc/49/14/60/554491460.db2.gz ISBBUUJYFUVHNK-UHFFFAOYSA-N 0 1 569.640 3.867 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccccc2OC)cc1 ZINC000060028238 554491449 /nfs/dbraw/zinc/49/14/49/554491449.db2.gz LATDNNFOKCJKCS-UHFFFAOYSA-N 0 1 611.702 3.745 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000060028294 554492112 /nfs/dbraw/zinc/49/21/12/554492112.db2.gz QOSSZRDRXWIUKZ-MRXNPFEDSA-N 0 1 584.507 3.765 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000060028295 554492001 /nfs/dbraw/zinc/49/20/01/554492001.db2.gz QOSSZRDRXWIUKZ-INIZCTEOSA-N 0 1 584.507 3.765 40 0 KHABMN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000060028514 554493212 /nfs/dbraw/zinc/49/32/12/554493212.db2.gz MDCBYEZXONFROK-UHFFFAOYSA-N 0 1 558.041 3.765 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000060028526 554493226 /nfs/dbraw/zinc/49/32/26/554493226.db2.gz IIACQISZJNTAPZ-UHFFFAOYSA-N 0 1 588.067 3.773 40 0 KHABMN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2)CC1 ZINC000060028535 554493180 /nfs/dbraw/zinc/49/31/80/554493180.db2.gz QWFSZUOTSQAZAG-UHFFFAOYSA-N 0 1 550.062 3.604 40 0 KHABMN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2)cc1 ZINC000060028552 554493523 /nfs/dbraw/zinc/49/35/23/554493523.db2.gz WAQRLAYWHYJVFZ-UHFFFAOYSA-N 0 1 552.634 3.968 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)n1 ZINC000060028585 554493753 /nfs/dbraw/zinc/49/37/53/554493753.db2.gz LWSUQWVTFOCZOZ-UHFFFAOYSA-N 0 1 577.994 3.663 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000060028618 554493981 /nfs/dbraw/zinc/49/39/81/554493981.db2.gz YBWSEPPWWHRSNU-UHFFFAOYSA-N 0 1 549.074 3.716 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000060028624 554494104 /nfs/dbraw/zinc/49/41/04/554494104.db2.gz CTHDEDRDXWOCRM-UHFFFAOYSA-N 0 1 584.507 3.765 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccccc2F)cc1 ZINC000060028630 554494021 /nfs/dbraw/zinc/49/40/21/554494021.db2.gz PXXXGPCRROFPGY-UHFFFAOYSA-N 0 1 569.640 3.867 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000060028640 554494303 /nfs/dbraw/zinc/49/43/03/554494303.db2.gz KIJWQTMNWKCEMK-UHFFFAOYSA-N 0 1 552.634 3.725 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000060028688 554494610 /nfs/dbraw/zinc/49/46/10/554494610.db2.gz ZDIPJNXCQJVHRT-UHFFFAOYSA-N 0 1 535.047 3.963 40 0 KHABMN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000060028691 554494893 /nfs/dbraw/zinc/49/48/93/554494893.db2.gz PZZGAZDIPOORCH-UHFFFAOYSA-N 0 1 558.041 3.765 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCN(S(=O)(=O)c5ccccc5)CC4)cc3)cc2)n1 ZINC000060028704 554494843 /nfs/dbraw/zinc/49/48/43/554494843.db2.gz SHWDPUJLORALDE-UHFFFAOYSA-N 0 1 620.757 3.653 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000060028723 554495112 /nfs/dbraw/zinc/49/51/12/554495112.db2.gz CTQAWZNAJROYRA-UHFFFAOYSA-N 0 1 535.047 3.575 40 0 KHABMN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)S(C)(=O)=O)c1 ZINC000060028729 554495076 /nfs/dbraw/zinc/49/50/76/554495076.db2.gz SYWRJSJAUKEKMY-UHFFFAOYSA-N 0 1 551.650 3.804 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)n1 ZINC000060028734 554495107 /nfs/dbraw/zinc/49/51/07/554495107.db2.gz WAXVOKXMNINOPD-UHFFFAOYSA-N 0 1 558.469 3.606 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)n1 ZINC000060028736 554495025 /nfs/dbraw/zinc/49/50/25/554495025.db2.gz IVCZMXXJBWHZFW-DEOSSOPVSA-N 0 1 600.078 3.834 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)n1 ZINC000060028737 554495133 /nfs/dbraw/zinc/49/51/33/554495133.db2.gz IVCZMXXJBWHZFW-XMMPIXPASA-N 0 1 600.078 3.834 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)n1 ZINC000060028739 554495127 /nfs/dbraw/zinc/49/51/27/554495127.db2.gz DDJAKILRQDEOCL-UHFFFAOYSA-N 0 1 558.469 3.606 40 0 KHABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000060028741 554495070 /nfs/dbraw/zinc/49/50/70/554495070.db2.gz UXPQFTUWEWSMRU-UHFFFAOYSA-N 0 1 611.702 3.745 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)c(OC)c1 ZINC000060028766 554495396 /nfs/dbraw/zinc/49/53/96/554495396.db2.gz BPNDLCDSTGCPIL-UHFFFAOYSA-N 0 1 559.666 3.683 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000060028782 554495710 /nfs/dbraw/zinc/49/57/10/554495710.db2.gz RCKBEVSOWINJEQ-UHFFFAOYSA-N 0 1 549.074 3.716 40 0 KHABMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000060028783 554495626 /nfs/dbraw/zinc/49/56/26/554495626.db2.gz RGPXRHDZAIJAJB-AWEZNQCLSA-N 0 1 543.454 3.982 40 0 KHABMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000060028784 554495686 /nfs/dbraw/zinc/49/56/86/554495686.db2.gz RGPXRHDZAIJAJB-CQSZACIVSA-N 0 1 543.454 3.982 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1 ZINC000060028791 554495611 /nfs/dbraw/zinc/49/56/11/554495611.db2.gz YJUYQXQQUCFEID-OAHLLOKOSA-N 0 1 572.496 3.994 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1 ZINC000060028792 554495737 /nfs/dbraw/zinc/49/57/37/554495737.db2.gz YJUYQXQQUCFEID-HNNXBMFYSA-N 0 1 572.496 3.994 40 0 KHABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000060028831 554495943 /nfs/dbraw/zinc/49/59/43/554495943.db2.gz FOQNXMKMMNSKBT-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)cc1 ZINC000060028847 554496362 /nfs/dbraw/zinc/49/63/62/554496362.db2.gz YUPYQPCTXJOEAG-UHFFFAOYSA-N 0 1 537.623 3.663 40 0 KHABMN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000060028853 554496368 /nfs/dbraw/zinc/49/63/68/554496368.db2.gz MNPLYDOCFUFSBE-UHFFFAOYSA-N 0 1 552.634 3.725 40 0 KHABMN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000060028881 554496675 /nfs/dbraw/zinc/49/66/75/554496675.db2.gz ZSNNUJUGFRJBPN-UHFFFAOYSA-N 0 1 602.492 3.874 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)n1 ZINC000060028888 554496656 /nfs/dbraw/zinc/49/66/56/554496656.db2.gz UQUNZKADNPFOCK-UHFFFAOYSA-N 0 1 551.650 3.804 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)n1 ZINC000060028895 554496615 /nfs/dbraw/zinc/49/66/15/554496615.db2.gz SQCXQKNNEHPQIN-UHFFFAOYSA-N 0 1 551.650 3.972 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2F)cc1 ZINC000060042872 554497003 /nfs/dbraw/zinc/49/70/03/554497003.db2.gz QFYYZJHTYYETSS-UHFFFAOYSA-N 0 1 555.613 3.559 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2)n1 ZINC000060042961 554497274 /nfs/dbraw/zinc/49/72/74/554497274.db2.gz XDYKKMKJOSEFFK-UHFFFAOYSA-N 0 1 567.624 3.848 40 0 KHABMN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000060043077 554497187 /nfs/dbraw/zinc/49/71/87/554497187.db2.gz RSQSKYKUAUFPQC-UHFFFAOYSA-N 0 1 538.582 3.836 40 0 KHABMN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2)cc1OC ZINC000060059924 554497745 /nfs/dbraw/zinc/49/77/45/554497745.db2.gz JWQHGCITRYHMAA-UHFFFAOYSA-N 0 1 597.675 3.680 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000060059951 554498224 /nfs/dbraw/zinc/49/82/24/554498224.db2.gz JYMCOZACHIOKEI-UHFFFAOYSA-N 0 1 544.655 3.564 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000060060062 554498502 /nfs/dbraw/zinc/49/85/02/554498502.db2.gz XJVOPGGWXWFCPI-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000060060080 554498426 /nfs/dbraw/zinc/49/84/26/554498426.db2.gz RHRNNVGXGQCGEP-UHFFFAOYSA-N 0 1 540.598 3.856 40 0 KHABMN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000060060101 554498441 /nfs/dbraw/zinc/49/84/41/554498441.db2.gz AIIUEJGERUOQOM-UHFFFAOYSA-N 0 1 602.492 3.874 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cccc(Cl)c1Cl ZINC000060060141 554498373 /nfs/dbraw/zinc/49/83/73/554498373.db2.gz XTBCQUDVWMRWKI-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccccc2)cc1OC ZINC000060060145 554498351 /nfs/dbraw/zinc/49/83/51/554498351.db2.gz UXUDWXBISCJVRT-UHFFFAOYSA-N 0 1 611.702 3.745 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000060060226 554498740 /nfs/dbraw/zinc/49/87/40/554498740.db2.gz WZXBMXUFQFTVAE-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)cc2)n1 ZINC000060060266 554498790 /nfs/dbraw/zinc/49/87/90/554498790.db2.gz SCGRVBTYZSTCBK-UHFFFAOYSA-N 0 1 578.887 3.951 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000060060277 554498995 /nfs/dbraw/zinc/49/89/95/554498995.db2.gz TYXHRCCJBFDUHC-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000060060361 554498892 /nfs/dbraw/zinc/49/88/92/554498892.db2.gz NTAWOLRKPPSMQB-UHFFFAOYSA-N 0 1 593.525 3.825 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000060060373 554498928 /nfs/dbraw/zinc/49/89/28/554498928.db2.gz XZCQNKREOLWBHL-UHFFFAOYSA-N 0 1 573.697 3.720 40 0 KHABMN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000060060406 554499230 /nfs/dbraw/zinc/49/92/30/554499230.db2.gz XFKZTLDGXBYUGQ-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000060060430 554499163 /nfs/dbraw/zinc/49/91/63/554499163.db2.gz SZBAUXOOCPFYBO-UHFFFAOYSA-N 0 1 627.701 3.527 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000060060447 554499176 /nfs/dbraw/zinc/49/91/76/554499176.db2.gz WQHJYYAEZYSXKS-UHFFFAOYSA-N 0 1 618.093 3.782 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)n1 ZINC000060060460 554499190 /nfs/dbraw/zinc/49/91/90/554499190.db2.gz LLQYWIAEUNLZPX-UHFFFAOYSA-N 0 1 578.116 3.728 40 0 KHABMN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000060060506 554499548 /nfs/dbraw/zinc/49/95/48/554499548.db2.gz SHYTXBLDFNQFLQ-UHFFFAOYSA-N 0 1 558.041 3.765 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000060060517 554499514 /nfs/dbraw/zinc/49/95/14/554499514.db2.gz RHOUITBTJSEEEK-UHFFFAOYSA-N 0 1 611.702 3.745 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(F)cc2)cc1 ZINC000060060521 554499419 /nfs/dbraw/zinc/49/94/19/554499419.db2.gz PVYZKJMEZOUHAN-UHFFFAOYSA-N 0 1 570.624 3.864 40 0 KHABMN CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccccc1 ZINC000060060552 554499768 /nfs/dbraw/zinc/49/97/68/554499768.db2.gz LHMWMTGLWXJFSH-UHFFFAOYSA-N 0 1 522.608 3.960 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000060060587 554499722 /nfs/dbraw/zinc/49/97/22/554499722.db2.gz OJPLIOVHDWKZEW-UHFFFAOYSA-N 0 1 566.661 3.866 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)c1 ZINC000060060634 554500126 /nfs/dbraw/zinc/50/01/26/554500126.db2.gz KBDKTGJOANCEKV-UHFFFAOYSA-N 0 1 540.019 3.782 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000060060676 554500052 /nfs/dbraw/zinc/50/00/52/554500052.db2.gz YSBLLILYIPCQEZ-UHFFFAOYSA-N 0 1 562.979 3.959 40 0 KHABMN COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(=O)(=O)c1ccccc1 ZINC000060060739 554500505 /nfs/dbraw/zinc/50/05/05/554500505.db2.gz SKYUNWXPRLQXQO-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)n1 ZINC000060060741 554500403 /nfs/dbraw/zinc/50/04/03/554500403.db2.gz IVZHRTGMZGJFHA-UHFFFAOYSA-N 0 1 550.062 3.666 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000060060825 554500770 /nfs/dbraw/zinc/50/07/70/554500770.db2.gz GKWJXBUJBZSHAN-UHFFFAOYSA-N 0 1 562.979 3.959 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000060060866 554501166 /nfs/dbraw/zinc/50/11/66/554501166.db2.gz XYNGMPZQJGUTHY-UHFFFAOYSA-N 0 1 529.640 3.841 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccccc2)cc1OC ZINC000060060913 554501423 /nfs/dbraw/zinc/50/14/23/554501423.db2.gz DCDXPVAMXHFPPK-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(Cl)ccc1Cl ZINC000060060942 554501332 /nfs/dbraw/zinc/50/13/32/554501332.db2.gz GKIPXQQWZPTNGU-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000060060948 554501464 /nfs/dbraw/zinc/50/14/64/554501464.db2.gz HRBYZSFKYHIQOA-UHFFFAOYSA-N 0 1 540.598 3.856 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(Cl)cc2)cc1 ZINC000060061091 554501913 /nfs/dbraw/zinc/50/19/13/554501913.db2.gz DFIMVDXBDORQON-UHFFFAOYSA-N 0 1 588.067 3.773 40 0 KHABMN COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)[nH]c1=O ZINC000060297810 554505570 /nfs/dbraw/zinc/50/55/70/554505570.db2.gz REEANFGHAAWSIZ-UHFFFAOYSA-N 0 1 507.572 4.538 40 0 KHABMN O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O ZINC000067879426 554534371 /nfs/dbraw/zinc/53/43/71/554534371.db2.gz UQSRLRMMNUNLNO-ZSXJVMONSA-N 0 1 505.537 3.635 40 0 biogenic,in-vitro KHABMN CC(C)c1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000072330365 553649384 /nfs/dbraw/zinc/64/93/84/553649384.db2.gz TYSSDOSRRAGTPQ-UCRLTYHRSA-N 0 1 538.648 3.903 40 0 KHABMN CC(C)c1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000072330366 553649425 /nfs/dbraw/zinc/64/94/25/553649425.db2.gz TYSSDOSRRAGTPQ-DMJMRQRGSA-N 0 1 538.648 3.903 40 0 KHABMN CCCOC(=O)CNc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O ZINC000079183245 553666369 /nfs/dbraw/zinc/66/63/69/553666369.db2.gz RVVDXQKCGASQPS-PZWXIZEVSA-N 0 1 688.715 3.872 40 0 KHABMN CCCOC(=O)CNc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O ZINC000079183247 553666416 /nfs/dbraw/zinc/66/64/16/553666416.db2.gz RVVDXQKCGASQPS-SVOGPNEYSA-N 0 1 688.715 3.872 40 0 KHABMN CCCOC(=O)CNc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O ZINC000079183249 553666413 /nfs/dbraw/zinc/66/64/13/553666413.db2.gz RVVDXQKCGASQPS-SNJIXJEUSA-N 0 1 688.715 3.872 40 0 KHABMN CCCOC(=O)CNc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=S)[nH]c1=O ZINC000079183251 553666398 /nfs/dbraw/zinc/66/63/98/553666398.db2.gz RVVDXQKCGASQPS-IXMKEJRMSA-N 0 1 688.715 3.872 40 0 KHABMN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000085577251 553684425 /nfs/dbraw/zinc/68/44/25/553684425.db2.gz BDLARIQIBCQXJC-CPCREDONSA-N 0 1 650.736 3.747 40 0 KHABMN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000096300082 553748713 /nfs/dbraw/zinc/74/87/13/553748713.db2.gz NSODTIBRLQHEEU-RHQYCBDASA-N 0 1 521.702 3.892 40 0 KHABMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000096300083 553748797 /nfs/dbraw/zinc/74/87/97/553748797.db2.gz NSODTIBRLQHEEU-KEHCTXMOSA-N 0 1 521.702 3.892 40 0 KHABMN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000096300084 553748769 /nfs/dbraw/zinc/74/87/69/553748769.db2.gz NSODTIBRLQHEEU-DWIHMJRXSA-N 0 1 521.702 3.892 40 0 KHABMN COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000097954262 553822664 /nfs/dbraw/zinc/82/26/64/553822664.db2.gz WWHDJJDKTKLCPB-GSDHBNRESA-N 0 1 542.523 3.838 40 0 KHABMN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)cc1OC ZINC000097955880 553834859 /nfs/dbraw/zinc/83/48/59/553834859.db2.gz KCAYKVFXSKMZSY-LPYMAVHISA-N 0 1 583.648 3.586 40 0 KHABMN O=C(NCCCN1CCN(CCCNC(=O)c2ccccc2Br)CC1)c1ccccc1Br ZINC000097959304 553862703 /nfs/dbraw/zinc/86/27/03/553862703.db2.gz BIULPFIPDQKCFK-UHFFFAOYSA-N 0 1 566.338 3.769 40 0 KHABMN Cc1ccc(C)c(N2CCN(CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccccc3)CC2)c1 ZINC000097986873 554026356 /nfs/dbraw/zinc/02/63/56/554026356.db2.gz UJZFMVLHWGRGNT-UHFFFAOYSA-N 0 1 577.733 3.970 40 0 KHABMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000098006113 554060445 /nfs/dbraw/zinc/06/04/45/554060445.db2.gz FDHNRASITDMHQQ-JBRONXBDSA-N 0 1 559.622 3.965 40 0 KHABMN CCOC(=O)CN1c2ccccc2[C@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]32)C1=O ZINC000098006114 554060505 /nfs/dbraw/zinc/06/05/05/554060505.db2.gz FDHNRASITDMHQQ-WPISCYLLSA-N 0 1 559.622 3.965 40 0 KHABMN CC(C)C[C@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000098006372 554061827 /nfs/dbraw/zinc/06/18/27/554061827.db2.gz MQORFJWRNILJKM-PLSDRPBFSA-N 0 1 548.643 3.642 40 0 KHABMN CC(C)C[C@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000098007027 554062479 /nfs/dbraw/zinc/06/24/79/554062479.db2.gz OXQWRDPRSYEMRK-YXKGNLPJSA-N 0 1 562.670 3.637 40 0 KHABMN O=C(CN1c2ccccc2[C@@]2(N[C@H](Cc3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000098007029 554062395 /nfs/dbraw/zinc/06/23/95/554062395.db2.gz YGUJCLINQPHMLA-PLUYPHSKSA-N 0 1 596.687 3.834 40 0 KHABMN O=C(CN1c2ccccc2[C@@]2(N[C@@H](Cc3ccccc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000098007030 554062627 /nfs/dbraw/zinc/06/26/27/554062627.db2.gz YGUJCLINQPHMLA-TXLCDKIMSA-N 0 1 596.687 3.834 40 0 KHABMN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@@]4(c5ccccc5N(CC(=O)N5CCc6ccccc65)C4=O)[C@@H]3C2=O)cc1 ZINC000098007363 554063485 /nfs/dbraw/zinc/06/34/85/554063485.db2.gz PGZILDWXWNYEMZ-USQVLRNNSA-N 0 1 605.695 3.600 40 0 KHABMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3CC(C)C)c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000098007364 554063888 /nfs/dbraw/zinc/06/38/88/554063888.db2.gz PGZILDWXWNYEMZ-DILHWWIPSA-N 0 1 605.695 3.600 40 0 KHABMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cccc(C)c4)c3)CC2)cc1 ZINC000100086176 554209003 /nfs/dbraw/zinc/20/90/03/554209003.db2.gz KCOZIMJALAALIT-UHFFFAOYSA-N 0 1 548.086 3.904 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4OC)cc3)C2)cc1 ZINC000100094498 554215107 /nfs/dbraw/zinc/21/51/07/554215107.db2.gz JIIQHRWYXGTODR-IBGZPJMESA-N 0 1 589.692 3.553 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4OC)cc3)C2)cc1 ZINC000100094502 554215078 /nfs/dbraw/zinc/21/50/78/554215078.db2.gz JIIQHRWYXGTODR-LJQANCHMSA-N 0 1 589.692 3.553 40 0 KHABMN CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1)S(C)(=O)=O ZINC000100095252 554215847 /nfs/dbraw/zinc/21/58/47/554215847.db2.gz XJXGVFBUCHJMJR-UHFFFAOYSA-N 0 1 533.628 3.543 40 0 KHABMN CCN(CC)C(=O)CN1c2ccccc2[C@@]2(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000100122637 554224736 /nfs/dbraw/zinc/22/47/36/554224736.db2.gz NARPJTZOCATBAH-RRFGGHKXSA-N 0 1 589.696 3.594 40 0 KHABMN CCN(CC)C(=O)CN1c2ccccc2[C@]2(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000100122642 554224708 /nfs/dbraw/zinc/22/47/08/554224708.db2.gz NARPJTZOCATBAH-NUJSEAGHSA-N 0 1 589.696 3.594 40 0 KHABMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000100158866 554233812 /nfs/dbraw/zinc/23/38/12/554233812.db2.gz JMXMFWMSRKNQRT-ALYHYRSRSA-N 0 1 525.605 3.769 40 0 KHABMN CCOC(=O)CN1c2ccccc2[C@]2(N[C@@H](CC(C)C)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000100158867 554233764 /nfs/dbraw/zinc/23/37/64/554233764.db2.gz JMXMFWMSRKNQRT-KZLBOEASSA-N 0 1 525.605 3.769 40 0 KHABMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000100158885 554233733 /nfs/dbraw/zinc/23/37/33/554233733.db2.gz FDHNRASITDMHQQ-KJDXMVLPSA-N 0 1 559.622 3.965 40 0 KHABMN CCOC(=O)CN1c2ccccc2[C@]2(N[C@@H](Cc3ccccc3)[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]32)C1=O ZINC000100158888 554233716 /nfs/dbraw/zinc/23/37/16/554233716.db2.gz FDHNRASITDMHQQ-POBAWSAGSA-N 0 1 559.622 3.965 40 0 KHABMN CC(C)C[C@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000100164691 554236261 /nfs/dbraw/zinc/23/62/61/554236261.db2.gz MQORFJWRNILJKM-KDUWASOLSA-N 0 1 548.643 3.642 40 0 KHABMN CC(C)C[C@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000100166581 554236831 /nfs/dbraw/zinc/23/68/31/554236831.db2.gz OXQWRDPRSYEMRK-PWDPMQEGSA-N 0 1 562.670 3.637 40 0 KHABMN O=C(CN1c2ccccc2[C@@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O)N1CCc2ccccc21 ZINC000100166593 554236802 /nfs/dbraw/zinc/23/68/02/554236802.db2.gz YGUJCLINQPHMLA-FVPDQMFNSA-N 0 1 596.687 3.834 40 0 KHABMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(C)C)N[C@@]32c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000100182305 554242010 /nfs/dbraw/zinc/24/20/10/554242010.db2.gz PGZILDWXWNYEMZ-RSONSDKCSA-N 0 1 605.695 3.600 40 0 KHABMN CCOC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C ZINC000100219863 554251493 /nfs/dbraw/zinc/25/14/93/554251493.db2.gz YTTHRTQZFZNGQA-GFCCVEGCSA-N 0 1 561.154 3.600 40 0 KHABMN O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000100290775 554283889 /nfs/dbraw/zinc/28/38/89/554283889.db2.gz DNSQOIJDBMSELL-WNJJXGMVSA-N 0 1 570.706 3.606 40 0 KHABMN O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000100290779 554283980 /nfs/dbraw/zinc/28/39/80/554283980.db2.gz DNSQOIJDBMSELL-LITSAYRRSA-N 0 1 570.706 3.606 40 0 KHABMN O=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000100290785 554284007 /nfs/dbraw/zinc/28/40/07/554284007.db2.gz DNSQOIJDBMSELL-UHSQPCAPSA-N 0 1 570.706 3.606 40 0 KHABMN O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000100290788 554283957 /nfs/dbraw/zinc/28/39/57/554283957.db2.gz DNSQOIJDBMSELL-GGXMVOPNSA-N 0 1 570.706 3.606 40 0 KHABMN CCOC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C ZINC000100437974 554393038 /nfs/dbraw/zinc/39/30/38/554393038.db2.gz YTTHRTQZFZNGQA-LBPRGKRZSA-N 0 1 561.154 3.600 40 0 KHABMN CCOc1cc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c(OCC)cc1S(=O)(=O)N1CCOCC1 ZINC000100441004 554393626 /nfs/dbraw/zinc/39/36/26/554393626.db2.gz KWNPUJUNLPABSP-UHFFFAOYSA-N 0 1 613.158 3.603 40 0 KHABMN O=C1OC(c2ccccc2)=N/C1=C/c1cc(I)c(O)c(I)c1 ZINC000100460389 554397789 /nfs/dbraw/zinc/39/77/89/554397789.db2.gz CBIWTUHQROFNDG-MDWZMJQESA-N 0 1 517.060 3.946 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000100949398 554537076 /nfs/dbraw/zinc/53/70/76/554537076.db2.gz JIDFJGTVGSHEKS-WSDUQJHMSA-N 0 1 533.831 3.920 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccccc1 ZINC000100949400 554536987 /nfs/dbraw/zinc/53/69/87/554536987.db2.gz JIDFJGTVGSHEKS-DDYRAIOVSA-N 0 1 533.831 3.920 40 0 KHABMN O=C1Nc2ccc(Br)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101091487 554582894 /nfs/dbraw/zinc/58/28/94/554582894.db2.gz YAPHKTAXQNRXCF-ZCOUOSKHSA-N 0 1 585.414 3.827 40 0 KHABMN O=C1Nc2ccc(Br)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000101091489 554582880 /nfs/dbraw/zinc/58/28/80/554582880.db2.gz YAPHKTAXQNRXCF-VONISOPNSA-N 0 1 585.414 3.827 40 0 KHABMN COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000101114677 554642867 /nfs/dbraw/zinc/64/28/67/554642867.db2.gz WWHDJJDKTKLCPB-ZNZIZOMTSA-N 0 1 542.523 3.838 40 0 KHABMN COc1cc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000101125878 554645175 /nfs/dbraw/zinc/64/51/75/554645175.db2.gz OQJYFRXZUDHKGP-ZNZIZOMTSA-N 0 1 524.533 3.699 40 0 KHABMN C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)C[NH+]3CCCC[C@@H]3C)cc2)cc1 ZINC000101210316 554678982 /nfs/dbraw/zinc/67/89/82/554678982.db2.gz WQQVWGCGYSSNDT-FATVKVNYSA-N 0 1 560.757 3.748 40 0 KHABMN C[C@H]1CCCC[NH+]1C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000101210318 554679040 /nfs/dbraw/zinc/67/90/40/554679040.db2.gz WQQVWGCGYSSNDT-ASDGIDEWSA-N 0 1 560.757 3.748 40 0 KHABMN CN1CCN(P2(N3CCN(C)CC3)=NC(C(Cl)(Cl)Cl)=NC(C(Cl)(Cl)Cl)=N2)CC1 ZINC000101409776 554763326 /nfs/dbraw/zinc/76/33/26/554763326.db2.gz NEHVHLLFMOKSKD-UHFFFAOYSA-N 0 1 532.071 3.978 40 0 KHABMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101502979 554789039 /nfs/dbraw/zinc/78/90/39/554789039.db2.gz FDRPPJHHXIOWSH-VWDBNSKXSA-N 0 1 554.006 3.947 40 0 KHABMN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000101502984 554789031 /nfs/dbraw/zinc/78/90/31/554789031.db2.gz FDRPPJHHXIOWSH-NHICWYPXSA-N 0 1 554.006 3.947 40 0 KHABMN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3c2cccc3Cl)cc1 ZINC000101503042 554789150 /nfs/dbraw/zinc/78/91/50/554789150.db2.gz VKCGAKGSUZPTSS-DNHJLFCISA-N 0 1 554.006 3.947 40 0 KHABMN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4cccc5Cl)[C@@H]3C2=O)cc1 ZINC000101503045 554789291 /nfs/dbraw/zinc/78/92/91/554789291.db2.gz VKCGAKGSUZPTSS-UBRKHCEVSA-N 0 1 554.006 3.947 40 0 KHABMN CC(C)Cn1c2nnc(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2c2ccccc2c1=O ZINC000101533122 554795201 /nfs/dbraw/zinc/79/52/01/554795201.db2.gz HYKVMTGCWYCMDC-UHFFFAOYSA-N 0 1 550.107 3.615 40 0 KHABMN Cc1ccc(C)c(N2CCN(CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CC(C)C)CC2)c1 ZINC000101533229 554795220 /nfs/dbraw/zinc/79/52/20/554795220.db2.gz PGNXUOZWELZASO-UHFFFAOYSA-N 0 1 543.716 3.578 40 0 KHABMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101592535 554803097 /nfs/dbraw/zinc/80/30/97/554803097.db2.gz ZNUNINODJIXIFE-VWDBNSKXSA-N 0 1 554.990 3.914 40 0 KHABMN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000101592543 554803121 /nfs/dbraw/zinc/80/31/21/554803121.db2.gz ZNUNINODJIXIFE-NHICWYPXSA-N 0 1 554.990 3.914 40 0 KHABMN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3c2cccc3Cl)cc1 ZINC000101592609 554803103 /nfs/dbraw/zinc/80/31/03/554803103.db2.gz COQOVWCOLFFINH-DNHJLFCISA-N 0 1 554.990 3.914 40 0 KHABMN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4cccc5Cl)[C@@H]3C2=O)cc1 ZINC000101592617 554803062 /nfs/dbraw/zinc/80/30/62/554803062.db2.gz COQOVWCOLFFINH-UBRKHCEVSA-N 0 1 554.990 3.914 40 0 KHABMN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000102100727 554881520 /nfs/dbraw/zinc/88/15/20/554881520.db2.gz FYYRWYKRIUZUJR-MHZLTWQESA-N 0 1 604.549 3.512 40 0 KHABMN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000102100733 554881511 /nfs/dbraw/zinc/88/15/11/554881511.db2.gz FYYRWYKRIUZUJR-HHHXNRCGSA-N 0 1 604.549 3.512 40 0 KHABMN CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000102245687 554903479 /nfs/dbraw/zinc/90/34/79/554903479.db2.gz XRUKEHGUQKUWGF-SSEXGKCCSA-N 0 1 567.734 3.873 40 0 KHABMN CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000102245693 554903437 /nfs/dbraw/zinc/90/34/37/554903437.db2.gz XRUKEHGUQKUWGF-PMERELPUSA-N 0 1 567.734 3.873 40 0 KHABMN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000102252419 554904069 /nfs/dbraw/zinc/90/40/69/554904069.db2.gz WVRLTNDMWARIRP-IZLXSDGUSA-N 0 1 556.663 3.817 40 0 KHABMN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000102252424 554904082 /nfs/dbraw/zinc/90/40/82/554904082.db2.gz WVRLTNDMWARIRP-NSOVKSMOSA-N 0 1 556.663 3.817 40 0 KHABMN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000102252428 554904062 /nfs/dbraw/zinc/90/40/62/554904062.db2.gz WVRLTNDMWARIRP-VSGBNLITSA-N 0 1 556.663 3.817 40 0 KHABMN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000102252434 554903894 /nfs/dbraw/zinc/90/38/94/554903894.db2.gz WVRLTNDMWARIRP-WUFINQPMSA-N 0 1 556.663 3.817 40 0 KHABMN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253555 554904087 /nfs/dbraw/zinc/90/40/87/554904087.db2.gz VJJLMAKAXQNDCR-MHZLTWQESA-N 0 1 593.650 3.768 40 0 KHABMN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253559 554904035 /nfs/dbraw/zinc/90/40/35/554904035.db2.gz VJJLMAKAXQNDCR-HHHXNRCGSA-N 0 1 593.650 3.768 40 0 KHABMN Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000102253920 554904197 /nfs/dbraw/zinc/90/41/97/554904197.db2.gz BWMYIDHEVZYCHV-MUUNZHRXSA-N 0 1 574.125 3.711 40 0 KHABMN Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000102253926 554904253 /nfs/dbraw/zinc/90/42/53/554904253.db2.gz BWMYIDHEVZYCHV-NDEPHWFRSA-N 0 1 574.125 3.711 40 0 KHABMN COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000102744641 555035686 /nfs/dbraw/zinc/03/56/86/555035686.db2.gz WWHDJJDKTKLCPB-UODIDJSMSA-N 0 1 542.523 3.838 40 0 KHABMN COc1cc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000102748265 555042392 /nfs/dbraw/zinc/04/23/92/555042392.db2.gz OQJYFRXZUDHKGP-UODIDJSMSA-N 0 1 524.533 3.699 40 0 KHABMN O=C(OC[C@H]1O[C@H](n2ncc(=S)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000103257885 555346313 /nfs/dbraw/zinc/34/63/13/555346313.db2.gz SZFMEFKXFONLHR-VZVHPENPSA-N 0 1 573.583 3.506 40 0 KHABMN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103405075 555391190 /nfs/dbraw/zinc/39/11/90/555391190.db2.gz YTEFVMABQAYYNX-YDDDLDHRSA-N 0 1 562.095 3.748 40 0 KHABMN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103405077 555391236 /nfs/dbraw/zinc/39/12/36/555391236.db2.gz YTEFVMABQAYYNX-MSPCSAMASA-N 0 1 562.095 3.748 40 0 KHABMN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103405078 555391251 /nfs/dbraw/zinc/39/12/51/555391251.db2.gz YTEFVMABQAYYNX-PQLSTBEISA-N 0 1 562.095 3.748 40 0 KHABMN CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103405080 555391255 /nfs/dbraw/zinc/39/12/55/555391255.db2.gz YTEFVMABQAYYNX-UVJUWTQOSA-N 0 1 562.095 3.748 40 0 KHABMN CCNC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCc1ccccc1 ZINC000103509373 555421969 /nfs/dbraw/zinc/42/19/69/555421969.db2.gz KDJRFUBIPJIVSW-MRXNPFEDSA-N 0 1 594.187 3.575 40 0 KHABMN CCNC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCc1ccccc1 ZINC000103509374 555421983 /nfs/dbraw/zinc/42/19/83/555421983.db2.gz KDJRFUBIPJIVSW-INIZCTEOSA-N 0 1 594.187 3.575 40 0 KHABMN CCc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]21 ZINC000103515542 555423181 /nfs/dbraw/zinc/42/31/81/555423181.db2.gz RHSPXIGVAZSTAE-XDZDDBEASA-N 0 1 547.615 3.856 40 0 KHABMN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]21 ZINC000103515544 555423087 /nfs/dbraw/zinc/42/30/87/555423087.db2.gz RHSPXIGVAZSTAE-MYECLKKLSA-N 0 1 547.615 3.856 40 0 KHABMN CCc1ccc2c(c1)[C@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]31)C(=O)N2 ZINC000103516050 555423220 /nfs/dbraw/zinc/42/32/20/555423220.db2.gz GFMHPHQBITXXLU-BCZYHNNCSA-N 0 1 548.599 3.669 40 0 KHABMN CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]31)C(=O)N2 ZINC000103516052 555423209 /nfs/dbraw/zinc/42/32/09/555423209.db2.gz GFMHPHQBITXXLU-ZWBDOSIPSA-N 0 1 548.599 3.669 40 0 KHABMN CCc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000103516268 555423188 /nfs/dbraw/zinc/42/31/88/555423188.db2.gz UUTVXPBLASTPMZ-OMPGTVRRSA-N 0 1 548.599 3.669 40 0 KHABMN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000103516271 555423224 /nfs/dbraw/zinc/42/32/24/555423224.db2.gz UUTVXPBLASTPMZ-DZRQJBKDSA-N 0 1 548.599 3.669 40 0 KHABMN COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3c2cccc3Cl)c1 ZINC000103516338 555423201 /nfs/dbraw/zinc/42/32/01/555423201.db2.gz INFMZOKDRQGTML-HGPRPZRGSA-N 0 1 526.980 3.998 40 0 KHABMN COc1cccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4cccc5Cl)[C@@H]3C2=O)c1 ZINC000103516340 555423198 /nfs/dbraw/zinc/42/31/98/555423198.db2.gz INFMZOKDRQGTML-CAFXQFFASA-N 0 1 526.980 3.998 40 0 KHABMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000103517034 555423508 /nfs/dbraw/zinc/42/35/08/555423508.db2.gz UQRYPVGZWLLCCE-NAFTXRTCSA-N 0 1 554.990 3.760 40 0 KHABMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000103517036 555423465 /nfs/dbraw/zinc/42/34/65/555423465.db2.gz UQRYPVGZWLLCCE-GYUWXQCTSA-N 0 1 554.990 3.760 40 0 KHABMN CCc1ccc2c(c1)[C@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]31)C(=O)N2 ZINC000103517247 555423478 /nfs/dbraw/zinc/42/34/78/555423478.db2.gz XAGUWEUGOILZHF-XVUPITKPSA-N 0 1 547.615 3.856 40 0 KHABMN CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]31)C(=O)N2 ZINC000103517250 555423444 /nfs/dbraw/zinc/42/34/44/555423444.db2.gz XAGUWEUGOILZHF-REKFDVGBSA-N 0 1 547.615 3.856 40 0 KHABMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(Cl)cc21 ZINC000103521846 555426996 /nfs/dbraw/zinc/42/69/96/555426996.db2.gz MMNUQQYQOPVVFV-YBLWUUOLSA-N 0 1 554.990 3.776 40 0 KHABMN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O ZINC000103521849 555426915 /nfs/dbraw/zinc/42/69/15/555426915.db2.gz MMNUQQYQOPVVFV-AIUIFLDSSA-N 0 1 554.990 3.776 40 0 KHABMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000103525730 555428374 /nfs/dbraw/zinc/42/83/74/555428374.db2.gz FJMKGXIUJXDRSC-XPVYSAHSSA-N 0 1 554.990 3.760 40 0 KHABMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000103525735 555428409 /nfs/dbraw/zinc/42/84/09/555428409.db2.gz FJMKGXIUJXDRSC-NHNGLUSSSA-N 0 1 554.990 3.760 40 0 KHABMN COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(F)cc32)cc1OC ZINC000103529834 555430309 /nfs/dbraw/zinc/43/03/09/555430309.db2.gz BIJSPWHNVUCAIE-YCSSQWMKSA-N 0 1 568.605 3.530 40 0 KHABMN COc1ccc(CCN2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC ZINC000103529840 555430294 /nfs/dbraw/zinc/43/02/94/555430294.db2.gz BIJSPWHNVUCAIE-WYUKLCAOSA-N 0 1 568.605 3.530 40 0 KHABMN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(F)cc32)cc1 ZINC000103531793 555432320 /nfs/dbraw/zinc/43/23/20/555432320.db2.gz IHDOVVNBQYMCSF-WJQRCLFPSA-N 0 1 552.562 3.651 40 0 KHABMN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000103531797 555432264 /nfs/dbraw/zinc/43/22/64/555432264.db2.gz IHDOVVNBQYMCSF-SQRAXXTESA-N 0 1 552.562 3.651 40 0 KHABMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000103532881 555433339 /nfs/dbraw/zinc/43/33/39/555433339.db2.gz HTKSYLRHCHFDLG-NAFTXRTCSA-N 0 1 554.990 3.713 40 0 KHABMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000103532887 555433227 /nfs/dbraw/zinc/43/32/27/555433227.db2.gz HTKSYLRHCHFDLG-GYUWXQCTSA-N 0 1 554.990 3.713 40 0 KHABMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000103537824 555436652 /nfs/dbraw/zinc/43/66/52/555436652.db2.gz IWQPULVMROQYLD-XPVYSAHSSA-N 0 1 554.990 3.713 40 0 KHABMN O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000103537829 555436583 /nfs/dbraw/zinc/43/65/83/555436583.db2.gz IWQPULVMROQYLD-NHNGLUSSSA-N 0 1 554.990 3.713 40 0 KHABMN COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2c1cccc2Cl ZINC000103538437 555437174 /nfs/dbraw/zinc/43/71/74/555437174.db2.gz YCGSGWVEFHDMJF-UKHVJEJZSA-N 0 1 554.990 3.776 40 0 KHABMN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4c3cccc4Cl)[C@@H]2C1=O ZINC000103538446 555437035 /nfs/dbraw/zinc/43/70/35/555437035.db2.gz YCGSGWVEFHDMJF-XDRYYISASA-N 0 1 554.990 3.776 40 0 KHABMN O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1ccc(I)cc1 ZINC000103770334 555474615 /nfs/dbraw/zinc/47/46/15/555474615.db2.gz KQCHYTJNLUXAOJ-UHFFFAOYSA-N 0 1 540.361 3.916 40 0 KHABMN COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3ccc(Cl)cc32)c1 ZINC000104151156 571375552 /nfs/dbraw/zinc/37/55/52/571375552.db2.gz POZRZOQTBBSMDJ-VVEDBRRQSA-N 0 1 526.980 3.998 40 0 KHABMN COc1cccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)c1 ZINC000104151163 571375573 /nfs/dbraw/zinc/37/55/73/571375573.db2.gz POZRZOQTBBSMDJ-XHHBKWMTSA-N 0 1 526.980 3.998 40 0 KHABMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000104157117 571375626 /nfs/dbraw/zinc/37/56/26/571375626.db2.gz RGTCLZAHQBUAES-FHADKLEKSA-N 0 1 540.963 3.718 40 0 KHABMN O=C1Nc2c(cccc2Cl)[C@@]12N[C@@H](Cc1c[nH]c3ccccc13)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000104157124 571375656 /nfs/dbraw/zinc/37/56/56/571375656.db2.gz RGTCLZAHQBUAES-STNJGYHGSA-N 0 1 540.963 3.718 40 0 KHABMN O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000104247763 571377813 /nfs/dbraw/zinc/37/78/13/571377813.db2.gz YLTPVNGTESBFME-ILWKUFEGSA-N 0 1 544.126 3.587 40 0 KHABMN O=C(C1=C(O)C(=O)OC1[C@H]1OC(=O)C(O)=C1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000104247767 571377784 /nfs/dbraw/zinc/37/77/84/571377784.db2.gz YLTPVNGTESBFME-NSMLZSOPSA-N 0 1 544.126 3.587 40 0 KHABMN CCOc1cc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc(OCC)c1OCC ZINC000105302543 571392637 /nfs/dbraw/zinc/39/26/37/571392637.db2.gz NHBBPVPAXOUTBZ-UHFFFAOYSA-N 0 1 544.674 3.548 40 0 KHABMN CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1Br ZINC000105303447 571392786 /nfs/dbraw/zinc/39/27/86/571392786.db2.gz OTNYFGFSYLDZDY-UHFFFAOYSA-N 0 1 535.464 3.513 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000105355124 571404121 /nfs/dbraw/zinc/40/41/21/571404121.db2.gz RCQDTIWOGXJYRL-UHFFFAOYSA-N 0 1 525.856 3.768 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000105496875 571405172 /nfs/dbraw/zinc/40/51/72/571405172.db2.gz DRFWNYFTZZSHHB-WQLLJXGDSA-N 0 1 549.432 3.828 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000105496878 571405189 /nfs/dbraw/zinc/40/51/89/571405189.db2.gz DRFWNYFTZZSHHB-YOGOOIESSA-N 0 1 549.432 3.828 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000105496892 571405210 /nfs/dbraw/zinc/40/52/10/571405210.db2.gz PFJGUGWTZOZIFE-WQLLJXGDSA-N 0 1 593.883 3.937 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000105496894 571405199 /nfs/dbraw/zinc/40/51/99/571405199.db2.gz PFJGUGWTZOZIFE-YOGOOIESSA-N 0 1 593.883 3.937 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497436 571405526 /nfs/dbraw/zinc/40/55/26/571405526.db2.gz MHSLWOKAFRIFLZ-WQLLJXGDSA-N 0 1 593.883 3.937 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497440 571405515 /nfs/dbraw/zinc/40/55/15/571405515.db2.gz MHSLWOKAFRIFLZ-YOGOOIESSA-N 0 1 593.883 3.937 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000105497884 571405628 /nfs/dbraw/zinc/40/56/28/571405628.db2.gz MCWGVUVFTFTZDI-BYHQVZLYSA-N 0 1 593.883 3.937 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000105497889 571405692 /nfs/dbraw/zinc/40/56/92/571405692.db2.gz MCWGVUVFTFTZDI-LYFUXTGPSA-N 0 1 593.883 3.937 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000105498665 571405828 /nfs/dbraw/zinc/40/58/28/571405828.db2.gz TUDUGQQBPNJLTE-JZVSFUAJSA-N 0 1 563.857 3.928 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000105498668 571405900 /nfs/dbraw/zinc/40/59/00/571405900.db2.gz TUDUGQQBPNJLTE-JYWRCUDFSA-N 0 1 563.857 3.928 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000105500567 571406539 /nfs/dbraw/zinc/40/65/39/571406539.db2.gz WISCOHIWMUVZSP-WSDUQJHMSA-N 0 1 533.831 3.920 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccccc1 ZINC000105500572 571406552 /nfs/dbraw/zinc/40/65/52/571406552.db2.gz WISCOHIWMUVZSP-DDYRAIOVSA-N 0 1 533.831 3.920 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000105501012 571406633 /nfs/dbraw/zinc/40/66/33/571406633.db2.gz MWVOGBDJFQWJAM-RTXJXEIKSA-N 0 1 577.840 3.649 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000105501016 571406598 /nfs/dbraw/zinc/40/65/98/571406598.db2.gz MWVOGBDJFQWJAM-FFMVHGEESA-N 0 1 577.840 3.649 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000106295430 571411784 /nfs/dbraw/zinc/41/17/84/571411784.db2.gz ANAFOTYAQAZOGC-IBGZPJMESA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000106295435 571411711 /nfs/dbraw/zinc/41/17/11/571411711.db2.gz ANAFOTYAQAZOGC-LJQANCHMSA-N 0 1 561.682 3.915 40 0 KHABMN CC(=O)N1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccccc2CN(CC2CCCCC2)CC3=O)CC1 ZINC000107429096 571420112 /nfs/dbraw/zinc/42/01/12/571420112.db2.gz YDDVWWUEPHOZIU-NSOVKSMOSA-N 0 1 552.760 3.787 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000107871806 571421551 /nfs/dbraw/zinc/42/15/51/571421551.db2.gz YJDFVXTYTSTCNT-INIZCTEOSA-N 0 1 568.073 3.951 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000107871810 571421573 /nfs/dbraw/zinc/42/15/73/571421573.db2.gz YJDFVXTYTSTCNT-MRXNPFEDSA-N 0 1 568.073 3.951 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000108215816 571422739 /nfs/dbraw/zinc/42/27/39/571422739.db2.gz NUVRJGMPQZHVED-INIZCTEOSA-N 0 1 568.073 3.951 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000108215821 571422689 /nfs/dbraw/zinc/42/26/89/571422689.db2.gz NUVRJGMPQZHVED-MRXNPFEDSA-N 0 1 568.073 3.951 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)cc2)c1 ZINC000112236740 571434732 /nfs/dbraw/zinc/43/47/32/571434732.db2.gz AWOXMMZMHWIPNV-UHFFFAOYSA-N 0 1 565.645 3.829 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000113491396 571439209 /nfs/dbraw/zinc/43/92/09/571439209.db2.gz GRUMVFKAZJOKOL-UHFFFAOYSA-N 0 1 560.698 3.673 40 0 KHABMN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000113513138 571439554 /nfs/dbraw/zinc/43/95/54/571439554.db2.gz JDIFQFGUNLZOHP-UHFFFAOYSA-N 0 1 518.375 3.833 40 0 KHABMN CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000113569616 1066886498 /nfs/dbraw/zinc/88/64/98/1066886498.db2.gz BYUQATUKPXLFLZ-UIOOFZCWSA-N 0 1 578.799 3.733 40 0 KHABMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4)c3)CC2)cc1 ZINC000113632423 571441843 /nfs/dbraw/zinc/44/18/43/571441843.db2.gz RDSJYLBRGQHAAY-UHFFFAOYSA-N 0 1 534.059 3.596 40 0 KHABMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4C)c3)CC2)cc1 ZINC000113632621 571441871 /nfs/dbraw/zinc/44/18/71/571441871.db2.gz YZICGDQKRDPSMV-UHFFFAOYSA-N 0 1 548.086 3.904 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2Cl)cc1 ZINC000113632624 571441867 /nfs/dbraw/zinc/44/18/67/571441867.db2.gz UERSXNVSVNPRHP-UHFFFAOYSA-N 0 1 548.086 3.904 40 0 KHABMN CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=C2C(=O)Nc3cc(C(=O)[O-])ccc32)c2ccccc2)cc1 ZINC000114707560 571443353 /nfs/dbraw/zinc/44/33/53/571443353.db2.gz KEHNCEDHZGQSNP-DQSJHHFOSA-N 0 1 525.609 3.528 40 0 in-vitro KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)n1 ZINC000139683505 571453297 /nfs/dbraw/zinc/45/32/97/571453297.db2.gz YYEOPSQRMPUDLJ-UHFFFAOYSA-N 0 1 592.021 3.971 40 0 KHABMN COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1Cl ZINC000139686086 571453294 /nfs/dbraw/zinc/45/32/94/571453294.db2.gz QKSNOSGPGPZRSH-UHFFFAOYSA-N 0 1 582.104 3.741 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000139688428 571453313 /nfs/dbraw/zinc/45/33/13/571453313.db2.gz FNYBRKVADUHQCH-UHFFFAOYSA-N 0 1 545.639 3.741 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)n1 ZINC000139699084 571453612 /nfs/dbraw/zinc/45/36/12/571453612.db2.gz CVSWTHDIRHLGEL-UHFFFAOYSA-N 0 1 596.106 3.867 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000139701873 571453468 /nfs/dbraw/zinc/45/34/68/571453468.db2.gz NIZQUPAFHWRSKS-UHFFFAOYSA-N 0 1 593.525 3.825 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2)n1 ZINC000139704829 571453606 /nfs/dbraw/zinc/45/36/06/571453606.db2.gz DFPSQWXEJAOVCU-UHFFFAOYSA-N 0 1 571.725 3.507 40 0 KHABMN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)cc1 ZINC000139709361 571453749 /nfs/dbraw/zinc/45/37/49/571453749.db2.gz AMOIGPMLZQFMIU-UHFFFAOYSA-N 0 1 581.676 3.980 40 0 KHABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccccc1 ZINC000139712222 571453737 /nfs/dbraw/zinc/45/37/37/571453737.db2.gz KDXRTAUOOCEPSW-UHFFFAOYSA-N 0 1 567.649 3.510 40 0 KHABMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc2)cc1 ZINC000139722385 571453739 /nfs/dbraw/zinc/45/37/39/571453739.db2.gz HDROZECZKRUOCJ-UHFFFAOYSA-N 0 1 523.596 3.639 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)n1 ZINC000139729168 571453869 /nfs/dbraw/zinc/45/38/69/571453869.db2.gz DVGSAWHZCIWTMK-KRWDZBQOSA-N 0 1 552.078 3.649 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)n1 ZINC000139729333 571453881 /nfs/dbraw/zinc/45/38/81/571453881.db2.gz DVGSAWHZCIWTMK-QGZVFWFLSA-N 0 1 552.078 3.649 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccc(F)cc2)cc1OC ZINC000139732308 571453816 /nfs/dbraw/zinc/45/38/16/571453816.db2.gz QJYFJDJKGJQLBQ-UHFFFAOYSA-N 0 1 600.650 3.873 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000139737367 571453883 /nfs/dbraw/zinc/45/38/83/571453883.db2.gz GMTFEDUSZGQJRX-UHFFFAOYSA-N 0 1 549.074 3.716 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000139739795 571453871 /nfs/dbraw/zinc/45/38/71/571453871.db2.gz GPAGDQSZPCJGGD-NRFANRHFSA-N 0 1 552.078 3.731 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000139739943 571453806 /nfs/dbraw/zinc/45/38/06/571453806.db2.gz GPAGDQSZPCJGGD-OAQYLSRUSA-N 0 1 552.078 3.731 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(C)cc2)cc1 ZINC000139742298 571453965 /nfs/dbraw/zinc/45/39/65/571453965.db2.gz CXTRKQOSOUJYDU-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000139976550 571454359 /nfs/dbraw/zinc/45/43/59/571454359.db2.gz WAPGPEDUQXVOSW-UHFFFAOYSA-N 0 1 567.064 3.855 40 0 KHABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000140023150 571454469 /nfs/dbraw/zinc/45/44/69/571454469.db2.gz MWRHDPDWWFZMGQ-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)cc2)n1 ZINC000140060999 571454683 /nfs/dbraw/zinc/45/46/83/571454683.db2.gz ZYNKXFXZAWJUHA-UHFFFAOYSA-N 0 1 543.671 3.711 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)n1 ZINC000140061778 571454730 /nfs/dbraw/zinc/45/47/30/571454730.db2.gz BGHUMXCYHRJJCQ-UHFFFAOYSA-N 0 1 551.650 3.975 40 0 KHABMN CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000140065758 571454783 /nfs/dbraw/zinc/45/47/83/571454783.db2.gz QEOHSCROYXIIKV-UHFFFAOYSA-N 0 1 551.650 3.674 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)n1 ZINC000140078545 571454842 /nfs/dbraw/zinc/45/48/42/571454842.db2.gz JGXNSDNEHXZYHG-UHFFFAOYSA-N 0 1 622.567 3.837 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000140080685 571454893 /nfs/dbraw/zinc/45/48/93/571454893.db2.gz JGZFVLXYCPYMFS-QHCPKHFHSA-N 0 1 566.057 3.624 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000140080830 571454914 /nfs/dbraw/zinc/45/49/14/571454914.db2.gz JGZFVLXYCPYMFS-HSZRJFAPSA-N 0 1 566.057 3.624 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000140085916 571455084 /nfs/dbraw/zinc/45/50/84/571455084.db2.gz VTTXDMNHLQEFGK-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2)cc1 ZINC000140096324 571455018 /nfs/dbraw/zinc/45/50/18/571455018.db2.gz DDGPUXYBKGNRPZ-UHFFFAOYSA-N 0 1 552.634 3.968 40 0 KHABMN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)Oc3ccccc32)cc1 ZINC000140096952 571455061 /nfs/dbraw/zinc/45/50/61/571455061.db2.gz SIGAHOHIPNLCJN-AREMUKBSSA-N 0 1 564.645 3.786 40 0 KHABMN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)Oc3ccccc32)cc1 ZINC000140097104 571455079 /nfs/dbraw/zinc/45/50/79/571455079.db2.gz SIGAHOHIPNLCJN-SANMLTNESA-N 0 1 564.645 3.786 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000140106476 571455226 /nfs/dbraw/zinc/45/52/26/571455226.db2.gz LGWQZJIQMFFIND-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000140118727 571455200 /nfs/dbraw/zinc/45/52/00/571455200.db2.gz FPTLBVZTKDJNSA-UHFFFAOYSA-N 0 1 535.047 3.963 40 0 KHABMN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000140119652 571455229 /nfs/dbraw/zinc/45/52/29/571455229.db2.gz BCPPAKMAESLPEG-UHFFFAOYSA-N 0 1 522.608 3.716 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000140128428 571455335 /nfs/dbraw/zinc/45/53/35/571455335.db2.gz OTIHZIJNKZGQQE-UHFFFAOYSA-N 0 1 550.062 3.748 40 0 KHABMN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000140135172 571455360 /nfs/dbraw/zinc/45/53/60/571455360.db2.gz UJTOXVVMHPVZJS-UHFFFAOYSA-N 0 1 538.582 3.836 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)cc2)n1 ZINC000140140357 571455511 /nfs/dbraw/zinc/45/55/11/571455511.db2.gz QRENVDJLLYQJLF-UHFFFAOYSA-N 0 1 543.671 3.567 40 0 KHABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000140143435 571455550 /nfs/dbraw/zinc/45/55/50/571455550.db2.gz SODJDUBJBVLAOC-UHFFFAOYSA-N 0 1 581.676 3.819 40 0 KHABMN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(=O)(=O)c1ccccc1 ZINC000140341460 571455474 /nfs/dbraw/zinc/45/54/74/571455474.db2.gz NUQFFWHPWLCSGD-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)c(OC)c1 ZINC000140362227 571455628 /nfs/dbraw/zinc/45/56/28/571455628.db2.gz PMKRSUISXNXWRN-UHFFFAOYSA-N 0 1 540.019 3.782 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Cl)cc1Cl ZINC000140371484 571455777 /nfs/dbraw/zinc/45/57/77/571455777.db2.gz KDBZFHDEAOKHQL-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000140372036 571455809 /nfs/dbraw/zinc/45/58/09/571455809.db2.gz DVXYENVCCMIIRG-UHFFFAOYSA-N 0 1 555.613 3.559 40 0 KHABMN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c1 ZINC000140373104 571455834 /nfs/dbraw/zinc/45/58/34/571455834.db2.gz IVHVUSIBSMIWAW-UHFFFAOYSA-N 0 1 545.687 3.696 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)c1 ZINC000140373699 571455769 /nfs/dbraw/zinc/45/57/69/571455769.db2.gz WXZLKFGEQCNEDU-UHFFFAOYSA-N 0 1 545.639 3.741 40 0 KHABMN O=C(CN1CC[C@H](C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000144518673 562836302 /nfs/dbraw/zinc/83/63/02/562836302.db2.gz HDAJDNHIBCDLQF-VWLOTQADSA-N 0 1 587.688 3.691 40 0 KHABMN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000150398029 571477109 /nfs/dbraw/zinc/47/71/09/571477109.db2.gz BDLARIQIBCQXJC-XWHIBYANSA-N 0 1 650.736 3.747 40 0 KHABMN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000150398032 571477150 /nfs/dbraw/zinc/47/71/50/571477150.db2.gz BDLARIQIBCQXJC-IWWXRALLSA-N 0 1 650.736 3.747 40 0 KHABMN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000150398035 571477178 /nfs/dbraw/zinc/47/71/78/571477178.db2.gz BDLARIQIBCQXJC-DCMFLLSESA-N 0 1 650.736 3.747 40 0 KHABMN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 ZINC000150398037 571477159 /nfs/dbraw/zinc/47/71/59/571477159.db2.gz BDLARIQIBCQXJC-QAXCHELISA-N 0 1 650.736 3.747 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150470999 571509514 /nfs/dbraw/zinc/50/95/14/571509514.db2.gz OQXHPXSUXPYFIS-ZMUHTPIZSA-N 0 1 702.308 3.722 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150471005 571509557 /nfs/dbraw/zinc/50/95/57/571509557.db2.gz OQXHPXSUXPYFIS-OLROSQPISA-N 0 1 702.308 3.722 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000150622330 571523338 /nfs/dbraw/zinc/52/33/38/571523338.db2.gz ZODNFQXRQNNTTK-BAPRJRNISA-N 0 1 678.311 3.775 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1cccs1 ZINC000150622334 571523359 /nfs/dbraw/zinc/52/33/59/571523359.db2.gz ZODNFQXRQNNTTK-KAKTVLCNSA-N 0 1 678.311 3.775 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000163638554 571538612 /nfs/dbraw/zinc/53/86/12/571538612.db2.gz QPCMHBYWSDHCBX-BYHQVZLYSA-N 0 1 732.334 3.730 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000163638666 571538700 /nfs/dbraw/zinc/53/87/00/571538700.db2.gz QPCMHBYWSDHCBX-LYFUXTGPSA-N 0 1 732.334 3.730 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000163656912 571539355 /nfs/dbraw/zinc/53/93/55/571539355.db2.gz XDLHQXWLGDVOCJ-BYHQVZLYSA-N 0 1 732.334 3.730 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000163657035 571539352 /nfs/dbraw/zinc/53/93/52/571539352.db2.gz XDLHQXWLGDVOCJ-LYFUXTGPSA-N 0 1 732.334 3.730 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000197831787 571565859 /nfs/dbraw/zinc/56/58/59/571565859.db2.gz YFACPYIDZLSMNJ-LJAQVGFWSA-N 0 1 684.818 3.507 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000197831796 571565929 /nfs/dbraw/zinc/56/59/29/571565929.db2.gz YFACPYIDZLSMNJ-GDLZYMKVSA-N 0 1 684.818 3.507 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(F)cc2)cc1OC ZINC000197950041 571566199 /nfs/dbraw/zinc/56/61/99/571566199.db2.gz CPDAVIUWTNNTEX-UHFFFAOYSA-N 0 1 629.692 3.885 40 0 KHABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000197950728 571566261 /nfs/dbraw/zinc/56/62/61/571566261.db2.gz TXEZQCCXVSEGLJ-UHFFFAOYSA-N 0 1 642.712 3.751 40 0 KHABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000197952531 571566267 /nfs/dbraw/zinc/56/62/67/571566267.db2.gz LOZUWZHVAOWKFX-UHFFFAOYSA-N 0 1 641.728 3.836 40 0 KHABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000198285439 571566741 /nfs/dbraw/zinc/56/67/41/571566741.db2.gz PEKUPZBCBCTBBQ-UHFFFAOYSA-N 0 1 642.712 3.751 40 0 KHABMN COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@H](C(N)=O)[C@H]4C=C[C@@H]3C4)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2 ZINC000200544442 1066886875 /nfs/dbraw/zinc/88/68/75/1066886875.db2.gz LAJAFFLJAJMYLK-CSNWYRLESA-N 0 1 539.080 3.550 40 0 KHABMN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000205765493 571570906 /nfs/dbraw/zinc/57/09/06/571570906.db2.gz YLZLWBMMTRBGGK-VZUCSPMQSA-N 0 1 573.146 3.589 40 0 KHABMN O=C(CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O)N1CCCCC1 ZINC000205805047 571571536 /nfs/dbraw/zinc/57/15/36/571571536.db2.gz LVJRBGPPYRAAHS-MDWZMJQESA-N 0 1 598.200 3.650 40 0 KHABMN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)cc(Br)c3O)C2=O)c1 ZINC000210838560 571575915 /nfs/dbraw/zinc/57/59/15/571575915.db2.gz KJGQDRQUJLPFON-VIZOYTHASA-N 0 1 509.154 3.757 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(Cl)ccc1Cl ZINC000215898821 571586806 /nfs/dbraw/zinc/58/68/06/571586806.db2.gz OJEZTLSQUIRWRC-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000215901359 571586882 /nfs/dbraw/zinc/58/68/82/571586882.db2.gz MPTSMJFFGGDCQS-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(C)cc2)cc1 ZINC000215903321 571587011 /nfs/dbraw/zinc/58/70/11/571587011.db2.gz QDGPFGAHLFZOOT-UHFFFAOYSA-N 0 1 581.676 3.819 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000215904396 571587017 /nfs/dbraw/zinc/58/70/17/571587017.db2.gz IJPDSLOQVVINLG-UHFFFAOYSA-N 0 1 555.613 3.559 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)n1 ZINC000215904674 571587168 /nfs/dbraw/zinc/58/71/68/571587168.db2.gz QWZXLJILVYUJCL-UHFFFAOYSA-N 0 1 551.650 3.804 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000215910689 571587392 /nfs/dbraw/zinc/58/73/92/571587392.db2.gz RUQMXCCWGTVMSB-UHFFFAOYSA-N 0 1 648.119 3.791 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)cc2)n1 ZINC000215911987 571587357 /nfs/dbraw/zinc/58/73/57/571587357.db2.gz DCINYKKCSHSYOY-UHFFFAOYSA-N 0 1 557.698 3.876 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000215912330 571587314 /nfs/dbraw/zinc/58/73/14/571587314.db2.gz ZMOBGWPPZXYZBY-NRFANRHFSA-N 0 1 552.078 3.731 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000215912377 571587328 /nfs/dbraw/zinc/58/73/28/571587328.db2.gz ZMOBGWPPZXYZBY-OAQYLSRUSA-N 0 1 552.078 3.731 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)n1 ZINC000215912960 571587325 /nfs/dbraw/zinc/58/73/25/571587325.db2.gz QZWLZEYCCWVBAT-UHFFFAOYSA-N 0 1 564.089 3.975 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000215914504 571587531 /nfs/dbraw/zinc/58/75/31/571587531.db2.gz RRSCNCMVNUZSML-SANMLTNESA-N 0 1 564.645 3.619 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000215914547 571587568 /nfs/dbraw/zinc/58/75/68/571587568.db2.gz RRSCNCMVNUZSML-AREMUKBSSA-N 0 1 564.645 3.619 40 0 KHABMN CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 ZINC000215915012 571587625 /nfs/dbraw/zinc/58/76/25/571587625.db2.gz IVPCHUWVISFRNJ-UHFFFAOYSA-N 0 1 522.608 3.960 40 0 KHABMN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)Oc3ccccc32)cc1 ZINC000215915182 571587505 /nfs/dbraw/zinc/58/75/05/571587505.db2.gz JHPMHRSNXOODTF-SANMLTNESA-N 0 1 593.687 3.798 40 0 KHABMN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)Oc3ccccc32)cc1 ZINC000215915231 571587577 /nfs/dbraw/zinc/58/75/77/571587577.db2.gz JHPMHRSNXOODTF-AREMUKBSSA-N 0 1 593.687 3.798 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)n1 ZINC000215915502 571587557 /nfs/dbraw/zinc/58/75/57/571587557.db2.gz SINFNTPSYAGTBZ-UHFFFAOYSA-N 0 1 567.649 3.783 40 0 KHABMN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)cc1OC ZINC000215919032 571587817 /nfs/dbraw/zinc/58/78/17/571587817.db2.gz CXSCUZPAAOCHQZ-UHFFFAOYSA-N 0 1 611.702 3.989 40 0 KHABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccccc2)cc1 ZINC000215920630 571587769 /nfs/dbraw/zinc/58/77/69/571587769.db2.gz FAQCIOZJFLTSHN-UHFFFAOYSA-N 0 1 581.676 3.819 40 0 KHABMN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000215924828 571588016 /nfs/dbraw/zinc/58/80/16/571588016.db2.gz ZGCTYDZCHWCACX-UHFFFAOYSA-N 0 1 540.598 3.856 40 0 KHABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000215925493 571588020 /nfs/dbraw/zinc/58/80/20/571588020.db2.gz YLANSFQNHONRKR-UHFFFAOYSA-N 0 1 581.676 3.819 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(F)cc2)cc1OC ZINC000215930449 571588187 /nfs/dbraw/zinc/58/81/87/571588187.db2.gz BHSKZFRDZIDNDK-UHFFFAOYSA-N 0 1 615.665 3.576 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)n1 ZINC000215931548 571588362 /nfs/dbraw/zinc/58/83/62/571588362.db2.gz CPUWLOUKYFFARC-UHFFFAOYSA-N 0 1 543.652 3.725 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000215932792 571588366 /nfs/dbraw/zinc/58/83/66/571588366.db2.gz IDXGMBMABMTHBI-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(F)cc2)cc1 ZINC000215933043 571588394 /nfs/dbraw/zinc/58/83/94/571588394.db2.gz IUHHJPHZXPCEBE-UHFFFAOYSA-N 0 1 585.639 3.649 40 0 KHABMN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 ZINC000215938058 571588517 /nfs/dbraw/zinc/58/85/17/571588517.db2.gz QUQKKIAHOZFTGM-UHFFFAOYSA-N 0 1 552.634 3.725 40 0 KHABMN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2)cc1 ZINC000215942410 571588825 /nfs/dbraw/zinc/58/88/25/571588825.db2.gz BLDAXCVGKSVMCX-UHFFFAOYSA-N 0 1 551.650 3.972 40 0 KHABMN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000215943657 571588844 /nfs/dbraw/zinc/58/88/44/571588844.db2.gz RXAMMSNYTWIRCL-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000215943930 571588850 /nfs/dbraw/zinc/58/88/50/571588850.db2.gz PRRIDPIVLROIAZ-UHFFFAOYSA-N 0 1 549.074 3.716 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000215947846 571588962 /nfs/dbraw/zinc/58/89/62/571588962.db2.gz LSQMKZOZGLCBTM-UHFFFAOYSA-N 0 1 544.014 3.984 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)c1 ZINC000215948143 571589034 /nfs/dbraw/zinc/58/90/34/571589034.db2.gz NBCQNENGWVVSNN-UHFFFAOYSA-N 0 1 540.019 3.782 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(F)cc2)cc1 ZINC000215949379 571589019 /nfs/dbraw/zinc/58/90/19/571589019.db2.gz GHVGNDALHDFKBZ-UHFFFAOYSA-N 0 1 555.613 3.559 40 0 KHABMN Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000215951405 571589204 /nfs/dbraw/zinc/58/92/04/571589204.db2.gz VRJONRCBWYNJEF-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000215952716 571589194 /nfs/dbraw/zinc/58/91/94/571589194.db2.gz MNHFNVWLZKKSDL-UHFFFAOYSA-N 0 1 543.667 3.982 40 0 KHABMN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000215952976 571589182 /nfs/dbraw/zinc/58/91/82/571589182.db2.gz BPIJQQFKYXCIFV-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1)S(C)(=O)=O ZINC000215953378 571589221 /nfs/dbraw/zinc/58/92/21/571589221.db2.gz DUOCBHKTGYMAOU-UHFFFAOYSA-N 0 1 551.650 3.804 40 0 KHABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000215954919 571589351 /nfs/dbraw/zinc/58/93/51/571589351.db2.gz NEZNGZHZCOMRLJ-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(F)cc2)cc1OC ZINC000215955788 571589384 /nfs/dbraw/zinc/58/93/84/571589384.db2.gz ACBHRWZJYSFIAZ-UHFFFAOYSA-N 0 1 600.650 3.873 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)n1 ZINC000215959331 571589722 /nfs/dbraw/zinc/58/97/22/571589722.db2.gz VNCBKRIEDUSIGR-UHFFFAOYSA-N 0 1 581.676 3.570 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)n1 ZINC000215961859 571589691 /nfs/dbraw/zinc/58/96/91/571589691.db2.gz AGUHXNCBSXDYBL-HSZRJFAPSA-N 0 1 571.725 3.507 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)n1 ZINC000215961906 571589583 /nfs/dbraw/zinc/58/95/83/571589583.db2.gz AGUHXNCBSXDYBL-QHCPKHFHSA-N 0 1 571.725 3.507 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)n1 ZINC000215962075 571589606 /nfs/dbraw/zinc/58/96/06/571589606.db2.gz QQCUQMODGDPGMP-UHFFFAOYSA-N 0 1 598.682 3.790 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)n1 ZINC000215962387 571589540 /nfs/dbraw/zinc/58/95/40/571589540.db2.gz QJOALUIKYDVCRH-UHFFFAOYSA-N 0 1 608.540 3.529 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000215969836 571590031 /nfs/dbraw/zinc/59/00/31/571590031.db2.gz KFXPKVBQLRHZRT-UHFFFAOYSA-N 0 1 562.979 3.959 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000215971539 571590089 /nfs/dbraw/zinc/59/00/89/571590089.db2.gz KFWCBHIEEJPCTN-UHFFFAOYSA-N 0 1 549.074 3.716 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(F)cc2)cc1 ZINC000215972386 571590064 /nfs/dbraw/zinc/59/00/64/571590064.db2.gz MVNXDWXWOMNJJD-UHFFFAOYSA-N 0 1 585.639 3.568 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(F)cc2)cc1 ZINC000215973183 571590171 /nfs/dbraw/zinc/59/01/71/571590171.db2.gz SOCLDKODBQAKEI-UHFFFAOYSA-N 0 1 570.624 3.864 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)cc2)n1 ZINC000215973282 571590185 /nfs/dbraw/zinc/59/01/85/571590185.db2.gz AMBASVOPCDRREH-UHFFFAOYSA-N 0 1 578.116 3.728 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000215975516 571590202 /nfs/dbraw/zinc/59/02/02/571590202.db2.gz LRPGRGYWTICYKQ-UHFFFAOYSA-N 0 1 537.623 3.663 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)cc2)n1 ZINC000215975688 571590230 /nfs/dbraw/zinc/59/02/30/571590230.db2.gz OIPQGJWHJREERD-UHFFFAOYSA-N 0 1 569.640 3.943 40 0 KHABMN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000215976735 571590243 /nfs/dbraw/zinc/59/02/43/571590243.db2.gz UFZJVSJTSSNJCL-UHFFFAOYSA-N 0 1 565.677 3.982 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)c1 ZINC000215979818 571590394 /nfs/dbraw/zinc/59/03/94/571590394.db2.gz DIHAMJRUJUGXRW-UHFFFAOYSA-N 0 1 540.019 3.782 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(C)cc2)cc1OC ZINC000215980379 571590437 /nfs/dbraw/zinc/59/04/37/571590437.db2.gz IWQOSIOKQDKMAH-UHFFFAOYSA-N 0 1 611.702 3.745 40 0 KHABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000215981179 571590447 /nfs/dbraw/zinc/59/04/47/571590447.db2.gz JMOGVIZNBVHZHZ-UHFFFAOYSA-N 0 1 585.639 3.649 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000215981858 571590563 /nfs/dbraw/zinc/59/05/63/571590563.db2.gz SXABYCRSEHZXHM-UHFFFAOYSA-N 0 1 535.047 3.575 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000215982254 571590553 /nfs/dbraw/zinc/59/05/53/571590553.db2.gz DQKNLMUYEQCLFD-UHFFFAOYSA-N 0 1 552.634 3.725 40 0 KHABMN Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000215983559 571590726 /nfs/dbraw/zinc/59/07/26/571590726.db2.gz YRAAIUKDDUPZKZ-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000215985000 571590577 /nfs/dbraw/zinc/59/05/77/571590577.db2.gz BCPWEXUGDDLIHV-UHFFFAOYSA-N 0 1 562.979 3.959 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000215985339 571590724 /nfs/dbraw/zinc/59/07/24/571590724.db2.gz NIEPSUMMNAARFG-UHFFFAOYSA-N 0 1 591.715 3.641 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccccc2)cc1 ZINC000215986279 571590918 /nfs/dbraw/zinc/59/09/18/571590918.db2.gz JXUKYSWBABCOMZ-UHFFFAOYSA-N 0 1 552.634 3.725 40 0 KHABMN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000215986735 571590771 /nfs/dbraw/zinc/59/07/71/571590771.db2.gz LPUJURZHNBRCEN-UHFFFAOYSA-N 0 1 555.613 3.635 40 0 KHABMN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000215988876 571590861 /nfs/dbraw/zinc/59/08/61/571590861.db2.gz RERLWWLHAIFHCK-UHFFFAOYSA-N 0 1 581.676 3.737 40 0 KHABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000215989226 571590791 /nfs/dbraw/zinc/59/07/91/571590791.db2.gz URMLGROUUHJUHX-UHFFFAOYSA-N 0 1 581.676 3.819 40 0 KHABMN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000215989430 571590912 /nfs/dbraw/zinc/59/09/12/571590912.db2.gz STTUNWABLWZIMR-UHFFFAOYSA-N 0 1 598.634 3.627 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000215991396 571591044 /nfs/dbraw/zinc/59/10/44/571591044.db2.gz JOTRNUVZOIGSEZ-UHFFFAOYSA-N 0 1 549.074 3.716 40 0 KHABMN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000215992876 571591057 /nfs/dbraw/zinc/59/10/57/571591057.db2.gz ARLZKUNRXCQCHU-UHFFFAOYSA-N 0 1 540.598 3.856 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)n1 ZINC000215996221 571591206 /nfs/dbraw/zinc/59/12/06/571591206.db2.gz ARZGVVFNJAPXRO-UHFFFAOYSA-N 0 1 545.687 3.696 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccccc2)cc1 ZINC000215996724 571591238 /nfs/dbraw/zinc/59/12/38/571591238.db2.gz DUBICKCGADDUOV-UHFFFAOYSA-N 0 1 552.634 3.725 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000215997988 571591203 /nfs/dbraw/zinc/59/12/03/571591203.db2.gz VCEIDSGFIJGQSC-QGZVFWFLSA-N 0 1 584.507 3.765 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000215998030 571591379 /nfs/dbraw/zinc/59/13/79/571591379.db2.gz VCEIDSGFIJGQSC-KRWDZBQOSA-N 0 1 584.507 3.765 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3N(Cc3ccccc3)S(C)(=O)=O)cc2)n1 ZINC000216000420 571591209 /nfs/dbraw/zinc/59/12/09/571591209.db2.gz JONADUYLVAVILU-UHFFFAOYSA-N 0 1 551.650 3.804 40 0 KHABMN COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1Cl ZINC000216003556 571591482 /nfs/dbraw/zinc/59/14/82/571591482.db2.gz GZVQHOIXNOJGJE-UHFFFAOYSA-N 0 1 553.062 3.729 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)n1 ZINC000216005007 571591540 /nfs/dbraw/zinc/59/15/40/571591540.db2.gz JYSAPNFNKDTGEW-UHFFFAOYSA-N 0 1 550.062 3.584 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n1 ZINC000216006267 571591716 /nfs/dbraw/zinc/59/17/16/571591716.db2.gz RZDYOICBQUNXIT-UHFFFAOYSA-N 0 1 627.676 3.639 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccccc2)cc1OC ZINC000216006718 571591724 /nfs/dbraw/zinc/59/17/24/571591724.db2.gz OCRUTQXEHQGALL-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000216008101 571591670 /nfs/dbraw/zinc/59/16/70/571591670.db2.gz PAMKCGMMERDZBA-UHFFFAOYSA-N 0 1 522.608 3.963 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)n1 ZINC000216009006 571591735 /nfs/dbraw/zinc/59/17/35/571591735.db2.gz CNTBKTCMCRIHSE-UHFFFAOYSA-N 0 1 622.567 3.837 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)n1 ZINC000216009655 571591625 /nfs/dbraw/zinc/59/16/25/571591625.db2.gz LBAZALHHXYMEIQ-UHFFFAOYSA-N 0 1 577.994 3.663 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1 ZINC000216009715 571591718 /nfs/dbraw/zinc/59/17/18/571591718.db2.gz WSDGXRVBZCHIPP-UHFFFAOYSA-N 0 1 543.671 3.630 40 0 KHABMN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000216014829 571591913 /nfs/dbraw/zinc/59/19/13/571591913.db2.gz LQTWSYWRZBZQGQ-UHFFFAOYSA-N 0 1 558.041 3.765 40 0 KHABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000216018287 571592091 /nfs/dbraw/zinc/59/20/91/571592091.db2.gz RQCHMBKZKZNFFI-UHFFFAOYSA-N 0 1 611.702 3.745 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)n1 ZINC000216125290 571592764 /nfs/dbraw/zinc/59/27/64/571592764.db2.gz MVCMUDBISOOYGJ-UHFFFAOYSA-N 0 1 537.623 3.663 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(F)cc2)cc1 ZINC000216128972 571593114 /nfs/dbraw/zinc/59/31/14/571593114.db2.gz UFZJYUVLDBUSQD-UHFFFAOYSA-N 0 1 569.640 3.867 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000216129319 571593075 /nfs/dbraw/zinc/59/30/75/571593075.db2.gz AUXXKJXQSQOQSE-UHFFFAOYSA-N 0 1 593.525 3.825 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccccc2OC)cc1 ZINC000216129523 571592997 /nfs/dbraw/zinc/59/29/97/571592997.db2.gz HSVLBWWYJREWJK-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Cl)cc1Cl ZINC000216129881 571593053 /nfs/dbraw/zinc/59/30/53/571593053.db2.gz KUXBANAMBWCKMO-UHFFFAOYSA-N 0 1 529.427 3.594 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000216132400 571593223 /nfs/dbraw/zinc/59/32/23/571593223.db2.gz NIYDNLIOXBDUBQ-UHFFFAOYSA-N 0 1 569.640 3.867 40 0 KHABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000216210653 571593426 /nfs/dbraw/zinc/59/34/26/571593426.db2.gz BMUSDGJAZDTERL-UHFFFAOYSA-N 0 1 671.754 3.763 40 0 KHABMN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000216226612 571593603 /nfs/dbraw/zinc/59/36/03/571593603.db2.gz KOVASHGRUZEZAG-UHFFFAOYSA-N 0 1 649.492 3.716 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1 ZINC000216241278 571593831 /nfs/dbraw/zinc/59/38/31/571593831.db2.gz UVLNNHPBPMAXNZ-CQSZACIVSA-N 0 1 558.469 3.686 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1 ZINC000216241324 571593866 /nfs/dbraw/zinc/59/38/66/571593866.db2.gz UVLNNHPBPMAXNZ-AWEZNQCLSA-N 0 1 558.469 3.686 40 0 KHABMN CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000216248561 571593778 /nfs/dbraw/zinc/59/37/78/571593778.db2.gz PFCQWPRCXYEVCF-UHFFFAOYSA-N 0 1 522.608 3.960 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000216267101 571594042 /nfs/dbraw/zinc/59/40/42/571594042.db2.gz CNISSAUWXYOJDU-UHFFFAOYSA-N 0 1 593.525 3.825 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)n1 ZINC000216278429 571594098 /nfs/dbraw/zinc/59/40/98/571594098.db2.gz HPWUGVMKQFMWFL-UHFFFAOYSA-N 0 1 595.703 3.878 40 0 KHABMN Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)S(C)(=O)=O)cc1 ZINC000216281737 571594287 /nfs/dbraw/zinc/59/42/87/571594287.db2.gz PKTGRAJNXUXDRY-UHFFFAOYSA-N 0 1 551.650 3.804 40 0 KHABMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000216287656 571594300 /nfs/dbraw/zinc/59/43/00/571594300.db2.gz XEOWITGZRCGDBM-IBGZPJMESA-N 0 1 567.649 3.863 40 0 KHABMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000216287700 571594138 /nfs/dbraw/zinc/59/41/38/571594138.db2.gz XEOWITGZRCGDBM-LJQANCHMSA-N 0 1 567.649 3.863 40 0 KHABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000216293057 571594268 /nfs/dbraw/zinc/59/42/68/571594268.db2.gz ODJMERVWUDRDQL-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000216296334 571594222 /nfs/dbraw/zinc/59/42/22/571594222.db2.gz JIKYLYUFBYUMPR-UHFFFAOYSA-N 0 1 564.860 3.642 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000216304612 571594451 /nfs/dbraw/zinc/59/44/51/571594451.db2.gz QDYYBJAPEVWULI-UHFFFAOYSA-N 0 1 521.020 3.573 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000216305859 571594362 /nfs/dbraw/zinc/59/43/62/571594362.db2.gz DKUIEZWFZPORAC-UHFFFAOYSA-N 0 1 584.507 3.765 40 0 KHABMN CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000216313960 571594549 /nfs/dbraw/zinc/59/45/49/571594549.db2.gz KSMQZALHFLQMEW-UHFFFAOYSA-N 0 1 522.608 3.960 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)n1 ZINC000216314200 571594606 /nfs/dbraw/zinc/59/46/06/571594606.db2.gz KETCXSFRPHLWIR-UHFFFAOYSA-N 0 1 578.116 3.728 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000216324414 571594866 /nfs/dbraw/zinc/59/48/66/571594866.db2.gz SUAKGCLCUHFGOK-UHFFFAOYSA-N 0 1 555.613 3.559 40 0 KHABMN CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)cc1 ZINC000216329270 571594751 /nfs/dbraw/zinc/59/47/51/571594751.db2.gz QZWFFDNSRJFVQW-UHFFFAOYSA-N 0 1 516.645 3.585 40 0 KHABMN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000216341780 571594951 /nfs/dbraw/zinc/59/49/51/571594951.db2.gz ULURFHPGPQGANJ-UHFFFAOYSA-N 0 1 514.629 3.618 40 0 KHABMN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc2)cc1OC ZINC000216345783 571594948 /nfs/dbraw/zinc/59/49/48/571594948.db2.gz LYNWKRNRCYKXOD-UHFFFAOYSA-N 0 1 582.660 3.977 40 0 KHABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(F)cc2)cc1 ZINC000216357250 571595156 /nfs/dbraw/zinc/59/51/56/571595156.db2.gz RNHCWVIAJIGPND-UHFFFAOYSA-N 0 1 599.666 3.958 40 0 KHABMN CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)ccc1Cl ZINC000216360218 571595140 /nfs/dbraw/zinc/59/51/40/571595140.db2.gz XSUOGKPBSZLAIZ-UHFFFAOYSA-N 0 1 558.469 3.769 40 0 KHABMN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000216368690 571595409 /nfs/dbraw/zinc/59/54/09/571595409.db2.gz OVVASGWDHLEKNV-UHFFFAOYSA-N 0 1 552.634 3.725 40 0 KHABMN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000216371091 571595440 /nfs/dbraw/zinc/59/54/40/571595440.db2.gz KBUZBSYGVNTZIP-UHFFFAOYSA-N 0 1 576.031 3.904 40 0 KHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)n1 ZINC000216392014 571595709 /nfs/dbraw/zinc/59/57/09/571595709.db2.gz QELQCVWJPMBTPW-UHFFFAOYSA-N 0 1 608.540 3.529 40 0 KHABMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000216395461 571595673 /nfs/dbraw/zinc/59/56/73/571595673.db2.gz GPMBPNNQZOYNIZ-QHCPKHFHSA-N 0 1 545.687 3.694 40 0 KHABMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000216395505 571595691 /nfs/dbraw/zinc/59/56/91/571595691.db2.gz GPMBPNNQZOYNIZ-HSZRJFAPSA-N 0 1 545.687 3.694 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000216399808 571595685 /nfs/dbraw/zinc/59/56/85/571595685.db2.gz DKHOLYDEFFXQFK-UHFFFAOYSA-N 0 1 559.666 3.683 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)c1 ZINC000216402641 571595698 /nfs/dbraw/zinc/59/56/98/571595698.db2.gz JMKZJJCIZKFFKH-UHFFFAOYSA-N 0 1 509.584 3.879 40 0 KHABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000216417551 571595864 /nfs/dbraw/zinc/59/58/64/571595864.db2.gz TUMGOKJQSWWKCV-UHFFFAOYSA-N 0 1 611.702 3.745 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccccc2OC)cc1 ZINC000216425575 571596167 /nfs/dbraw/zinc/59/61/67/571596167.db2.gz NJFJMEXHBUJKMV-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000216433548 571596148 /nfs/dbraw/zinc/59/61/48/571596148.db2.gz XCSKHUOBUNEYRA-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2)cc1OC ZINC000216435468 571596176 /nfs/dbraw/zinc/59/61/76/571596176.db2.gz MIFBRXBEDWTHFB-UHFFFAOYSA-N 0 1 582.660 3.977 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000216442029 571596340 /nfs/dbraw/zinc/59/63/40/571596340.db2.gz VKPCGPQBYANLBZ-UHFFFAOYSA-N 0 1 515.613 3.533 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000216450114 571596383 /nfs/dbraw/zinc/59/63/83/571596383.db2.gz WUACNMCKYQZDGW-DEOSSOPVSA-N 0 1 535.607 3.897 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000216450159 571596462 /nfs/dbraw/zinc/59/64/62/571596462.db2.gz WUACNMCKYQZDGW-XMMPIXPASA-N 0 1 535.607 3.897 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cccc(C)c2)cc1 ZINC000216454065 571596483 /nfs/dbraw/zinc/59/64/83/571596483.db2.gz BRMAXUQHTZNKHA-UHFFFAOYSA-N 0 1 551.650 3.728 40 0 KHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000216471178 571596543 /nfs/dbraw/zinc/59/65/43/571596543.db2.gz GECNRTGNQUWRDT-UHFFFAOYSA-N 0 1 550.062 3.748 40 0 KHABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000216476261 571596824 /nfs/dbraw/zinc/59/68/24/571596824.db2.gz DNUGHMZPPINWAN-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)n1 ZINC000216477452 571596784 /nfs/dbraw/zinc/59/67/84/571596784.db2.gz RJZWHTACZGFBCL-UHFFFAOYSA-N 0 1 592.021 3.971 40 0 KHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)n1 ZINC000216487067 571596779 /nfs/dbraw/zinc/59/67/79/571596779.db2.gz CMEGOHGKHSPBFO-UHFFFAOYSA-N 0 1 558.469 3.606 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)c(OC)c1 ZINC000216490508 571597046 /nfs/dbraw/zinc/59/70/46/571597046.db2.gz MQHZBXZWIBDBTL-UHFFFAOYSA-N 0 1 540.019 3.782 40 0 KHABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)s1 ZINC000222550202 571370217 /nfs/dbraw/zinc/37/02/17/571370217.db2.gz VTBYEBLSOSEWRA-UHFFFAOYSA-N 0 1 512.617 3.925 40 0 KHABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000222552904 571370548 /nfs/dbraw/zinc/37/05/48/571370548.db2.gz VGILVCZSFPZLOF-JOCHJYFZSA-N 0 1 521.668 3.934 40 0 KHABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000222552968 571370597 /nfs/dbraw/zinc/37/05/97/571370597.db2.gz VGILVCZSFPZLOF-QFIPXVFZSA-N 0 1 521.668 3.934 40 0 KHABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000222560804 571371313 /nfs/dbraw/zinc/37/13/13/571371313.db2.gz BZVRFXVHWVPASB-UHFFFAOYSA-N 0 1 521.668 3.934 40 0 KHABMN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)c(C)c1 ZINC000222564319 571371560 /nfs/dbraw/zinc/37/15/60/571371560.db2.gz PKWRUUICYOCIJU-OAQYLSRUSA-N 0 1 513.689 3.706 40 0 KHABMN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000222582511 571373490 /nfs/dbraw/zinc/37/34/90/571373490.db2.gz GUKKRTJUBHIKLM-UHFFFAOYSA-N 0 1 550.106 3.833 40 0 KHABMN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)CC2)cc1Cl ZINC000222601024 571375482 /nfs/dbraw/zinc/37/54/82/571375482.db2.gz GKVKZTGSINMLFL-UHFFFAOYSA-N 0 1 550.106 3.833 40 0 KHABMN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)cc1Cl ZINC000222604622 571375801 /nfs/dbraw/zinc/37/58/01/571375801.db2.gz KSHSKNVJWMCVKE-GOSISDBHSA-N 0 1 550.106 3.833 40 0 KHABMN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000222608327 571376073 /nfs/dbraw/zinc/37/60/73/571376073.db2.gz YIWDQLYUOTWCBR-GOSISDBHSA-N 0 1 550.106 3.833 40 0 KHABMN COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)s1 ZINC000222612549 571376653 /nfs/dbraw/zinc/37/66/53/571376653.db2.gz ITOCNRAZKNFXCG-UHFFFAOYSA-N 0 1 513.022 3.818 40 0 KHABMN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000222614267 571376816 /nfs/dbraw/zinc/37/68/16/571376816.db2.gz YSWQOWMFJGGPPC-UHFFFAOYSA-N 0 1 543.715 3.913 40 0 KHABMN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1)c1ccccc1 ZINC000222643519 571379372 /nfs/dbraw/zinc/37/93/72/571379372.db2.gz FBJLHRWGMNWVER-LJQANCHMSA-N 0 1 537.667 3.799 40 0 KHABMN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1)c1ccccc1 ZINC000222643582 571379369 /nfs/dbraw/zinc/37/93/69/571379369.db2.gz FBJLHRWGMNWVER-IBGZPJMESA-N 0 1 537.667 3.799 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)s1)c1ccccc1Cl ZINC000222662415 571381291 /nfs/dbraw/zinc/38/12/91/571381291.db2.gz MYLUQHSOWGTWEW-UHFFFAOYSA-N 0 1 555.823 3.735 40 0 KHABMN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000222669664 571382024 /nfs/dbraw/zinc/38/20/24/571382024.db2.gz BCXOKRQMTHYQAQ-UHFFFAOYSA-N 0 1 537.667 3.580 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000222673547 571382583 /nfs/dbraw/zinc/38/25/83/571382583.db2.gz BVEULZCLJIKYBZ-UHFFFAOYSA-N 0 1 523.640 3.868 40 0 KHABMN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222676975 571383076 /nfs/dbraw/zinc/38/30/76/571383076.db2.gz ZBOJHTPHIWXHHU-UHFFFAOYSA-N 0 1 509.613 3.560 40 0 KHABMN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000222683770 571384052 /nfs/dbraw/zinc/38/40/52/571384052.db2.gz RWOQMUBNZFAOJK-UHFFFAOYSA-N 0 1 523.640 3.868 40 0 KHABMN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc(-c4ccccc4)n[nH]3)cc2)c1 ZINC000222690782 571384834 /nfs/dbraw/zinc/38/48/34/571384834.db2.gz POBRNCKATYKNSO-UHFFFAOYSA-N 0 1 523.640 3.868 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000222697871 571385843 /nfs/dbraw/zinc/38/58/43/571385843.db2.gz KILYLPPWUBMCLM-UHFFFAOYSA-N 0 1 539.639 3.568 40 0 KHABMN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000222704538 571386727 /nfs/dbraw/zinc/38/67/27/571386727.db2.gz GIFAWGYRGRTDKA-UHFFFAOYSA-N 0 1 553.666 3.959 40 0 KHABMN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222708016 571387311 /nfs/dbraw/zinc/38/73/11/571387311.db2.gz LZLXBZDVPCQOGR-UHFFFAOYSA-N 0 1 549.678 3.901 40 0 KHABMN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222714245 571388154 /nfs/dbraw/zinc/38/81/54/571388154.db2.gz MWNAKKIZGKVWNW-UHFFFAOYSA-N 0 1 527.603 3.699 40 0 KHABMN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222718905 571388759 /nfs/dbraw/zinc/38/87/59/571388759.db2.gz WETWYWAGWIBKCO-UHFFFAOYSA-N 0 1 535.651 3.510 40 0 KHABMN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3nc(-c4ccccc4)n[nH]3)cc2)c1 ZINC000222735926 571391441 /nfs/dbraw/zinc/39/14/41/571391441.db2.gz PVQXAPXZVJNPDU-UHFFFAOYSA-N 0 1 539.639 3.568 40 0 KHABMN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222766422 571394932 /nfs/dbraw/zinc/39/49/32/571394932.db2.gz XJQCVIHFHGBHCI-UHFFFAOYSA-N 0 1 529.688 3.678 40 0 KHABMN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222776194 571395995 /nfs/dbraw/zinc/39/59/95/571395995.db2.gz DYHWNJBLQZKRGY-UHFFFAOYSA-N 0 1 537.667 3.546 40 0 KHABMN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222779492 571396490 /nfs/dbraw/zinc/39/64/90/571396490.db2.gz BISNMUCQQHKUSO-UHFFFAOYSA-N 0 1 549.678 3.819 40 0 KHABMN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222797244 571398924 /nfs/dbraw/zinc/39/89/24/571398924.db2.gz KGHQBYXDIOMDSF-UHFFFAOYSA-N 0 1 523.640 3.868 40 0 KHABMN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222824698 571402573 /nfs/dbraw/zinc/40/25/73/571402573.db2.gz UDPHFMIZXHLJLW-UHFFFAOYSA-N 0 1 536.079 3.587 40 0 KHABMN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222828015 571402872 /nfs/dbraw/zinc/40/28/72/571402872.db2.gz GLMPCQSKIPTBDF-UHFFFAOYSA-N 0 1 536.079 3.633 40 0 KHABMN Cc1nnc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)[nH]1 ZINC000222838353 571404124 /nfs/dbraw/zinc/40/41/24/571404124.db2.gz MOQJJTFCDWPEMQ-UHFFFAOYSA-N 0 1 516.432 3.508 40 0 KHABMN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222852051 571405673 /nfs/dbraw/zinc/40/56/73/571405673.db2.gz HJCYBSKCEJTWFC-UHFFFAOYSA-N 0 1 513.689 3.924 40 0 KHABMN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222861652 571406879 /nfs/dbraw/zinc/40/68/79/571406879.db2.gz DIRAYKYWUJKZKZ-UHFFFAOYSA-N 0 1 535.695 3.834 40 0 KHABMN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222864968 571407229 /nfs/dbraw/zinc/40/72/29/571407229.db2.gz QMDXDNXKEHGKOE-UHFFFAOYSA-N 0 1 521.668 3.791 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1)c1ccc(Cl)cc1 ZINC000222915989 571412728 /nfs/dbraw/zinc/41/27/28/571412728.db2.gz UEFNKLGJDUHAKU-UHFFFAOYSA-N 0 1 511.372 3.626 40 0 KHABMN COc1ccc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1S(=O)(=O)N1CCCCCC1 ZINC000222926670 571413829 /nfs/dbraw/zinc/41/38/29/571413829.db2.gz UNLGVXYHYUQOJA-UHFFFAOYSA-N 0 1 515.661 3.567 40 0 KHABMN COc1ccc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000222929050 571414133 /nfs/dbraw/zinc/41/41/33/571414133.db2.gz ODKKHBGRHOZDIW-UHFFFAOYSA-N 0 1 537.667 3.523 40 0 KHABMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000222976546 571418970 /nfs/dbraw/zinc/41/89/70/571418970.db2.gz VWNHDUVGEMZKGG-UHFFFAOYSA-N 0 1 509.005 3.909 40 0 KHABMN CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000223016183 193944445 /nfs/dbraw/zinc/94/44/45/193944445.db2.gz XSGSQIGTHHCIAQ-UHFFFAOYSA-N 0 1 550.058 3.651 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000223061334 571427009 /nfs/dbraw/zinc/42/70/09/571427009.db2.gz SMGVGYJOBUKNFQ-UHFFFAOYSA-N 0 1 527.690 3.597 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3cccs3)no2)s1)c1ccc(Cl)cc1Cl ZINC000223188524 571442748 /nfs/dbraw/zinc/44/27/48/571442748.db2.gz GVZHQLKUPSXBFA-UHFFFAOYSA-N 0 1 517.401 3.687 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)s1)c1ccc(Cl)cc1 ZINC000223204692 571444715 /nfs/dbraw/zinc/44/47/15/571444715.db2.gz DMFKNQFFYOTDEX-UHFFFAOYSA-N 0 1 511.372 3.626 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1)c1ccccc1Cl ZINC000223235062 571448648 /nfs/dbraw/zinc/44/86/48/571448648.db2.gz FRCRTOHMRNVSRA-UHFFFAOYSA-N 0 1 511.372 3.626 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)s1)c1ccccc1Cl ZINC000223299771 571457357 /nfs/dbraw/zinc/45/73/57/571457357.db2.gz NPRULNLRKJCOST-UHFFFAOYSA-N 0 1 511.372 3.626 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)s1)c1ccc(Cl)cc1Cl ZINC000223334353 571461924 /nfs/dbraw/zinc/46/19/24/571461924.db2.gz HRXMJWCDJCZJPA-UHFFFAOYSA-N 0 1 540.454 3.698 40 0 KHABMN COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)s1 ZINC000223570073 571504556 /nfs/dbraw/zinc/50/45/56/571504556.db2.gz KRDHGHQBHVQVGB-UHFFFAOYSA-N 0 1 513.022 3.818 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)s1)c1ccc(Cl)cc1 ZINC000223596755 571510290 /nfs/dbraw/zinc/51/02/90/571510290.db2.gz KFLBNRALMRALBD-UHFFFAOYSA-N 0 1 555.823 3.735 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)s1)c1ccc(Cl)cc1Cl ZINC000223775266 571542136 /nfs/dbraw/zinc/54/21/36/571542136.db2.gz FDLZFFHIPDWPNG-UHFFFAOYSA-N 0 1 511.372 3.626 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1)c1ccccc1Cl ZINC000223918415 571575284 /nfs/dbraw/zinc/57/52/84/571575284.db2.gz TXEPROFVTZCXSC-UHFFFAOYSA-N 0 1 511.372 3.626 40 0 KHABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3nc(-c4ccc(C(C)(C)C)cc4)no3)s2)cc1 ZINC000224194084 571494087 /nfs/dbraw/zinc/49/40/87/571494087.db2.gz BCSPVAZPRTYQOC-UHFFFAOYSA-N 0 1 512.617 3.925 40 0 KHABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1Cl ZINC000224219737 571499638 /nfs/dbraw/zinc/49/96/38/571499638.db2.gz LSHGQTBNVFHAOP-UHFFFAOYSA-N 0 1 552.074 3.508 40 0 KHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)c1 ZINC000224219815 571499778 /nfs/dbraw/zinc/49/97/78/571499778.db2.gz GEIYBDFSJNNXEQ-UHFFFAOYSA-N 0 1 552.074 3.508 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)cc1 ZINC000224219907 571499786 /nfs/dbraw/zinc/49/97/86/571499786.db2.gz NNHLTVZXNZIEQR-UHFFFAOYSA-N 0 1 552.074 3.508 40 0 KHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)c1C ZINC000224219990 571499699 /nfs/dbraw/zinc/49/96/99/571499699.db2.gz XRIRJRICGMGBEQ-UHFFFAOYSA-N 0 1 566.101 3.817 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)c(C)c1 ZINC000224220078 571499673 /nfs/dbraw/zinc/49/96/73/571499673.db2.gz ITPSHVBDZQFKGJ-UHFFFAOYSA-N 0 1 566.101 3.817 40 0 KHABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)c1 ZINC000224220148 571499766 /nfs/dbraw/zinc/49/97/66/571499766.db2.gz ZRQZAUUYOVKZMW-UHFFFAOYSA-N 0 1 566.101 3.817 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)cc1C ZINC000224220231 571499880 /nfs/dbraw/zinc/49/98/80/571499880.db2.gz WFYKHJSHBQCTAZ-UHFFFAOYSA-N 0 1 566.101 3.817 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)s1)c1ccc(Cl)cc1Cl ZINC000224250421 571506307 /nfs/dbraw/zinc/50/63/07/571506307.db2.gz CSSNGPDHXWLSPH-UHFFFAOYSA-N 0 1 540.454 3.698 40 0 KHABMN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000224300006 571516986 /nfs/dbraw/zinc/51/69/86/571516986.db2.gz BZYLZXVDNWCUJJ-UHFFFAOYSA-N 0 1 564.085 3.734 40 0 KHABMN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000224326150 571522473 /nfs/dbraw/zinc/52/24/73/571522473.db2.gz YFRZDNWSLLTKBM-UHFFFAOYSA-N 0 1 506.068 3.532 40 0 KHABMN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224326223 571522481 /nfs/dbraw/zinc/52/24/81/571522481.db2.gz SRLVTGWKRJGXTN-UHFFFAOYSA-N 0 1 506.068 3.532 40 0 KHABMN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224326301 571522461 /nfs/dbraw/zinc/52/24/61/571522461.db2.gz RRNJZMGMYXUAEJ-UHFFFAOYSA-N 0 1 506.068 3.532 40 0 KHABMN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000224402278 571538351 /nfs/dbraw/zinc/53/83/51/571538351.db2.gz TWTJPGPLXHZSSO-UHFFFAOYSA-N 0 1 520.095 3.922 40 0 KHABMN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224402359 571538395 /nfs/dbraw/zinc/53/83/95/571538395.db2.gz GXOWKWAOPCFVLT-UHFFFAOYSA-N 0 1 520.095 3.922 40 0 KHABMN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224402439 571538408 /nfs/dbraw/zinc/53/84/08/571538408.db2.gz NNDOJVQRAPMOHC-UHFFFAOYSA-N 0 1 520.095 3.922 40 0 KHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c1C ZINC000224453734 571549621 /nfs/dbraw/zinc/54/96/21/571549621.db2.gz BAWXHBHSYLFKJL-UHFFFAOYSA-N 0 1 608.138 3.587 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c(C)c1 ZINC000224453814 571549613 /nfs/dbraw/zinc/54/96/13/571549613.db2.gz ZLGYRYHWQKAXPC-UHFFFAOYSA-N 0 1 608.138 3.587 40 0 KHABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c1 ZINC000224453901 571549556 /nfs/dbraw/zinc/54/95/56/571549556.db2.gz RYIVTRKCUUCIBV-UHFFFAOYSA-N 0 1 608.138 3.587 40 0 KHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)cc1C ZINC000224453979 571549559 /nfs/dbraw/zinc/54/95/59/571549559.db2.gz GEQDEGVXAZVWFP-UHFFFAOYSA-N 0 1 608.138 3.587 40 0 KHABMN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000224557697 571574014 /nfs/dbraw/zinc/57/40/14/571574014.db2.gz VESPBWAPBGEUHI-UHFFFAOYSA-N 0 1 500.020 3.903 40 0 KHABMN COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000224707688 571607289 /nfs/dbraw/zinc/60/72/89/571607289.db2.gz NMVNGTXUEHZSDR-LLVKDONJSA-N 0 1 517.416 3.852 40 0 KHABMN COc1ccccc1OC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000224707731 571607285 /nfs/dbraw/zinc/60/72/85/571607285.db2.gz NMVNGTXUEHZSDR-NSHDSACASA-N 0 1 517.416 3.852 40 0 KHABMN O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000224723462 571610887 /nfs/dbraw/zinc/61/08/87/571610887.db2.gz NLVNTHFFMKKNOL-UHFFFAOYSA-N 0 1 500.020 3.903 40 0 KHABMN CN(CCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1 ZINC000224892979 571627420 /nfs/dbraw/zinc/62/74/20/571627420.db2.gz LTOZJUPSTWKQLK-UHFFFAOYSA-N 0 1 500.433 3.902 40 0 KHABMN COc1ccc(CCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1OC ZINC000224908996 571628950 /nfs/dbraw/zinc/62/89/50/571628950.db2.gz DNAPLZITCUXWBC-UHFFFAOYSA-N 0 1 517.416 3.635 40 0 KHABMN COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)s1 ZINC000224991448 571637094 /nfs/dbraw/zinc/63/70/94/571637094.db2.gz MFNZEUOUXFUPDT-UHFFFAOYSA-N 0 1 513.022 3.818 40 0 KHABMN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1OC ZINC000225186165 571655813 /nfs/dbraw/zinc/65/58/13/571655813.db2.gz QUJJMGQWWLVVMJ-NKFKGCMQSA-N 0 1 506.628 3.927 40 0 KHABMN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000225211521 571658316 /nfs/dbraw/zinc/65/83/16/571658316.db2.gz UJGNFZONJNYVQP-VMPREFPWSA-N 0 1 562.740 3.984 40 0 KHABMN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000225211557 571658354 /nfs/dbraw/zinc/65/83/54/571658354.db2.gz UJGNFZONJNYVQP-WDYNHAJCSA-N 0 1 562.740 3.984 40 0 KHABMN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000225211603 571658336 /nfs/dbraw/zinc/65/83/36/571658336.db2.gz UJGNFZONJNYVQP-URLMMPGGSA-N 0 1 562.740 3.984 40 0 KHABMN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000225211643 571658349 /nfs/dbraw/zinc/65/83/49/571658349.db2.gz UJGNFZONJNYVQP-FQLXRVMXSA-N 0 1 562.740 3.984 40 0 KHABMN COc1cc(CN2CCC(NC(=S)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000225227875 571660136 /nfs/dbraw/zinc/66/01/36/571660136.db2.gz MWAVSQZGISFOCX-UHFFFAOYSA-N 0 1 505.637 3.689 40 0 KHABMN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1OC ZINC000225292831 571667429 /nfs/dbraw/zinc/66/74/29/571667429.db2.gz VUURKFZRTGPYGC-KYJUHHDHSA-N 0 1 592.766 3.993 40 0 KHABMN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1OC ZINC000225292859 571667473 /nfs/dbraw/zinc/66/74/73/571667473.db2.gz VUURKFZRTGPYGC-IHLOFXLRSA-N 0 1 592.766 3.993 40 0 KHABMN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1OC ZINC000225292892 571667493 /nfs/dbraw/zinc/66/74/93/571667493.db2.gz VUURKFZRTGPYGC-XZWHSSHBSA-N 0 1 592.766 3.993 40 0 KHABMN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1OC ZINC000225292934 571667504 /nfs/dbraw/zinc/66/75/04/571667504.db2.gz VUURKFZRTGPYGC-LOYHVIPDSA-N 0 1 592.766 3.993 40 0 KHABMN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1CCCN1CCOCC1 ZINC000225391275 571760400 /nfs/dbraw/zinc/76/04/00/571760400.db2.gz CNONPMQVTJESPI-KAYWLYCHSA-N 0 1 568.769 3.771 40 0 KHABMN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1CCCN1CCOCC1 ZINC000225391316 571760164 /nfs/dbraw/zinc/76/01/64/571760164.db2.gz CNONPMQVTJESPI-SXOMAYOGSA-N 0 1 568.769 3.771 40 0 KHABMN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1CCCN1CCOCC1 ZINC000225391361 571760270 /nfs/dbraw/zinc/76/02/70/571760270.db2.gz CNONPMQVTJESPI-RRPNLBNLSA-N 0 1 568.769 3.771 40 0 KHABMN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1CCCN1CCOCC1 ZINC000225391403 571760296 /nfs/dbraw/zinc/76/02/96/571760296.db2.gz CNONPMQVTJESPI-SVBPBHIXSA-N 0 1 568.769 3.771 40 0 KHABMN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1NS(C)(=O)=O ZINC000225422501 571789165 /nfs/dbraw/zinc/78/91/65/571789165.db2.gz KWWOXOZHHVNVNQ-NSOVKSMOSA-N 0 1 598.795 3.779 40 0 KHABMN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1NS(C)(=O)=O ZINC000225422542 571789333 /nfs/dbraw/zinc/78/93/33/571789333.db2.gz KWWOXOZHHVNVNQ-IZLXSDGUSA-N 0 1 598.795 3.779 40 0 KHABMN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1NS(C)(=O)=O ZINC000225422580 571789290 /nfs/dbraw/zinc/78/92/90/571789290.db2.gz KWWOXOZHHVNVNQ-WUFINQPMSA-N 0 1 598.795 3.779 40 0 KHABMN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)ccc1NS(C)(=O)=O ZINC000225422621 571789310 /nfs/dbraw/zinc/78/93/10/571789310.db2.gz KWWOXOZHHVNVNQ-VSGBNLITSA-N 0 1 598.795 3.779 40 0 KHABMN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1[N-]S(C)(=O)=O ZINC000225473985 571843879 /nfs/dbraw/zinc/84/38/79/571843879.db2.gz CMRLGYRUUFRVKI-ZEQRLZLVSA-N 0 1 520.640 3.825 40 0 KHABMN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1[N-]S(C)(=O)=O ZINC000225474018 571844034 /nfs/dbraw/zinc/84/40/34/571844034.db2.gz CMRLGYRUUFRVKI-RPWUZVMVSA-N 0 1 520.640 3.825 40 0 KHABMN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1[N-]S(C)(=O)=O ZINC000225474048 571843970 /nfs/dbraw/zinc/84/39/70/571843970.db2.gz CMRLGYRUUFRVKI-BJKOFHAPSA-N 0 1 520.640 3.825 40 0 KHABMN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1[N-]S(C)(=O)=O ZINC000225474088 571844616 /nfs/dbraw/zinc/84/46/16/571844616.db2.gz CMRLGYRUUFRVKI-DNQXCXABSA-N 0 1 520.640 3.825 40 0 KHABMN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1CCCN1CCOCC1 ZINC000225501767 571872079 /nfs/dbraw/zinc/87/20/79/571872079.db2.gz FISUCTYZTAJELC-VSGBNLITSA-N 0 1 532.714 3.833 40 0 KHABMN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1CCCN1CCOCC1 ZINC000225501800 571872000 /nfs/dbraw/zinc/87/20/00/571872000.db2.gz FISUCTYZTAJELC-IZLXSDGUSA-N 0 1 532.714 3.833 40 0 KHABMN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1CCCN1CCOCC1 ZINC000225501834 571871911 /nfs/dbraw/zinc/87/19/11/571871911.db2.gz FISUCTYZTAJELC-WUFINQPMSA-N 0 1 532.714 3.833 40 0 KHABMN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1CCCN1CCOCC1 ZINC000225501869 571872097 /nfs/dbraw/zinc/87/20/97/571872097.db2.gz FISUCTYZTAJELC-NSOVKSMOSA-N 0 1 532.714 3.833 40 0 KHABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3nc(-c4ccc(C(C)(C)C)cc4)no3)s2)c1 ZINC000225583323 571942431 /nfs/dbraw/zinc/94/24/31/571942431.db2.gz IGEHOJMPVLOHSU-UHFFFAOYSA-N 0 1 512.617 3.925 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)[N-]CCC[N@H+]2CCc3ccccc3C2)s1)c1ccc(Cl)cc1Cl ZINC000225630599 571982799 /nfs/dbraw/zinc/98/27/99/571982799.db2.gz IQIFIIDGFPCIMT-UHFFFAOYSA-N 0 1 526.471 3.824 40 0 KHABMN COc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000225657841 572004306 /nfs/dbraw/zinc/00/43/06/572004306.db2.gz WDOWYBKOHVTYPE-LLVKDONJSA-N 0 1 517.416 3.852 40 0 KHABMN COc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000225657868 572004496 /nfs/dbraw/zinc/00/44/96/572004496.db2.gz WDOWYBKOHVTYPE-NSHDSACASA-N 0 1 517.416 3.852 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225715192 572043918 /nfs/dbraw/zinc/04/39/18/572043918.db2.gz NRSYYNFEAAZHDO-UHFFFAOYSA-N 0 1 525.674 3.628 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225746970 572059604 /nfs/dbraw/zinc/05/96/04/572059604.db2.gz NXWNGLBPKAQPKI-UHFFFAOYSA-N 0 1 559.691 3.705 40 0 KHABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225747009 572059672 /nfs/dbraw/zinc/05/96/72/572059672.db2.gz ONLGDVROUVHFRP-UHFFFAOYSA-N 0 1 547.680 3.607 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225747834 572060001 /nfs/dbraw/zinc/06/00/01/572060001.db2.gz IXIJMOBSPGLWHV-UHFFFAOYSA-N 0 1 514.581 3.716 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)s1)c1ccc(Cl)cc1Cl ZINC000225757191 572064163 /nfs/dbraw/zinc/06/41/63/572064163.db2.gz VCLKKAIFJDHDJG-UHFFFAOYSA-N 0 1 526.427 3.703 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225791393 572068954 /nfs/dbraw/zinc/06/89/54/572068954.db2.gz YRMHDVSJSULMAA-UHFFFAOYSA-N 0 1 610.135 3.595 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl ZINC000225804827 572072163 /nfs/dbraw/zinc/07/21/63/572072163.db2.gz BLGRRQGLYODJOW-UHFFFAOYSA-N 0 1 610.135 3.595 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1)c1ccc(Cl)cc1 ZINC000225817428 572073623 /nfs/dbraw/zinc/07/36/23/572073623.db2.gz YNPMTLGWZLEZHT-UHFFFAOYSA-N 0 1 511.372 3.626 40 0 KHABMN O=C(Nc1nnc(S(=O)(=O)NCCCN2CCc3ccccc32)s1)c1ccc(Cl)cc1Cl ZINC000225829434 572074787 /nfs/dbraw/zinc/07/47/87/572074787.db2.gz HPAJRHFGZZLUFI-UHFFFAOYSA-N 0 1 512.444 3.828 40 0 KHABMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000225833476 572074656 /nfs/dbraw/zinc/07/46/56/572074656.db2.gz WKZNKPAULDNORT-UHFFFAOYSA-N 0 1 541.717 3.987 40 0 KHABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000225848091 572076263 /nfs/dbraw/zinc/07/62/63/572076263.db2.gz JFEINNZBDPYDMQ-UHFFFAOYSA-N 0 1 505.625 3.745 40 0 KHABMN CN(c1ccc(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1)S(=O)(=O)c1ccccc1 ZINC000225978958 572090645 /nfs/dbraw/zinc/09/06/45/572090645.db2.gz LMQFEOREPYRMHB-UHFFFAOYSA-N 0 1 507.641 3.748 40 0 KHABMN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000225996350 572097829 /nfs/dbraw/zinc/09/78/29/572097829.db2.gz GSXRIFNVNIXNKF-UHFFFAOYSA-N 0 1 507.641 3.571 40 0 KHABMN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000225997142 572097838 /nfs/dbraw/zinc/09/78/38/572097838.db2.gz NBXFVBHNYDKSBD-UHFFFAOYSA-N 0 1 521.668 3.614 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)Cc2ccccc2)cc1 ZINC000225998755 572099202 /nfs/dbraw/zinc/09/92/02/572099202.db2.gz XDCIJIHWAOSZHU-UHFFFAOYSA-N 0 1 521.668 3.880 40 0 KHABMN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000225999526 572099443 /nfs/dbraw/zinc/09/94/43/572099443.db2.gz SILDSBAAFHEJBG-UHFFFAOYSA-N 0 1 535.695 3.922 40 0 KHABMN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000226007675 572102044 /nfs/dbraw/zinc/10/20/44/572102044.db2.gz YRMGQNOSLYEBSQ-UHFFFAOYSA-N 0 1 525.631 3.710 40 0 KHABMN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000226008435 572102012 /nfs/dbraw/zinc/10/20/12/572102012.db2.gz LEXZVMFIYJSZGA-UHFFFAOYSA-N 0 1 517.652 3.843 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)Cc2ccccc2)cc1 ZINC000226009174 572102144 /nfs/dbraw/zinc/10/21/44/572102144.db2.gz WRWRVNYVNAPLAP-UHFFFAOYSA-N 0 1 537.667 3.580 40 0 KHABMN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000226010011 572102373 /nfs/dbraw/zinc/10/23/73/572102373.db2.gz URAVLEDSMGNWPZ-UHFFFAOYSA-N 0 1 551.694 3.622 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)Cc2ccccc2)cc1OC ZINC000226010777 572102499 /nfs/dbraw/zinc/10/24/99/572102499.db2.gz XVGWFBJWRXNPPJ-UHFFFAOYSA-N 0 1 567.693 3.588 40 0 KHABMN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1OC ZINC000226011540 572103042 /nfs/dbraw/zinc/10/30/42/572103042.db2.gz UQSBPYWOYBZJFI-UHFFFAOYSA-N 0 1 581.720 3.631 40 0 KHABMN COc1ccc(N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000226012339 572103022 /nfs/dbraw/zinc/10/30/22/572103022.db2.gz XWUXJVZLUGLMDR-UHFFFAOYSA-N 0 1 583.692 3.601 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C2CCCCC2)cc1OC ZINC000226013196 572103709 /nfs/dbraw/zinc/10/37/09/572103709.db2.gz SILDFPKDUGPOOG-UHFFFAOYSA-N 0 1 559.714 3.721 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)[nH]1 ZINC000226013925 572104064 /nfs/dbraw/zinc/10/40/64/572104064.db2.gz VGKXXGWHGLOZAE-UHFFFAOYSA-N 0 1 514.460 3.519 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)[nH]1 ZINC000226015285 572104730 /nfs/dbraw/zinc/10/47/30/572104730.db2.gz VMTFRLWCRJCHDU-UHFFFAOYSA-N 0 1 528.487 3.828 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)[nH]1 ZINC000226016003 572104665 /nfs/dbraw/zinc/10/46/65/572104665.db2.gz NWRHIPMOPSDWPM-UHFFFAOYSA-N 0 1 514.460 3.519 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)[nH]1 ZINC000226017178 572105621 /nfs/dbraw/zinc/10/56/21/572105621.db2.gz DNOZSGDZQAJNDC-UHFFFAOYSA-N 0 1 514.460 3.519 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)[nH]1 ZINC000226019762 572106164 /nfs/dbraw/zinc/10/61/64/572106164.db2.gz FSUSSVUXSYNLEZ-UHFFFAOYSA-N 0 1 514.460 3.519 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)[nH]1 ZINC000226023600 572107541 /nfs/dbraw/zinc/10/75/41/572107541.db2.gz NKHIGILPUSBWCB-UHFFFAOYSA-N 0 1 532.450 3.658 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)[nH]1 ZINC000226024983 572107872 /nfs/dbraw/zinc/10/78/72/572107872.db2.gz RBNIHMHDQYHMSR-UHFFFAOYSA-N 0 1 558.911 3.628 40 0 KHABMN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000226026838 572108533 /nfs/dbraw/zinc/10/85/33/572108533.db2.gz NNHYEXSUEMUQFG-UHFFFAOYSA-N 0 1 525.631 3.710 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)[nH]1 ZINC000226028032 572108871 /nfs/dbraw/zinc/10/88/71/572108871.db2.gz HGOCONFLUVCZIG-UHFFFAOYSA-N 0 1 528.487 3.828 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)[nH]1 ZINC000226030127 572110056 /nfs/dbraw/zinc/11/00/56/572110056.db2.gz HVDMBXBYCBNCDD-UHFFFAOYSA-N 0 1 514.460 3.519 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)[nH]1 ZINC000226032738 572110376 /nfs/dbraw/zinc/11/03/76/572110376.db2.gz XTMQDURJNSAURY-UHFFFAOYSA-N 0 1 528.487 3.562 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)[nH]1 ZINC000226034289 572110878 /nfs/dbraw/zinc/11/08/78/572110878.db2.gz KSRMSNINCUEBPB-UHFFFAOYSA-N 0 1 558.911 3.628 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)[nH]1 ZINC000226038562 572111976 /nfs/dbraw/zinc/11/19/76/572111976.db2.gz PUWVWQOYDPNOMR-UHFFFAOYSA-N 0 1 558.911 3.628 40 0 KHABMN Cc1nnc(SCCNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)[nH]1 ZINC000226043763 572113424 /nfs/dbraw/zinc/11/34/24/572113424.db2.gz WWQVWEIMJYJIGM-UHFFFAOYSA-N 0 1 522.096 3.791 40 0 KHABMN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)Cc1ccccc1 ZINC000226045587 572113793 /nfs/dbraw/zinc/11/37/93/572113793.db2.gz ZADRIYAJPLTHMG-UHFFFAOYSA-N 0 1 551.694 3.888 40 0 KHABMN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)Cc2ccccc2)cc1C ZINC000226046175 572114230 /nfs/dbraw/zinc/11/42/30/572114230.db2.gz MKTLIUBGZVUQED-UHFFFAOYSA-N 0 1 551.694 3.888 40 0 KHABMN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000226049282 572115284 /nfs/dbraw/zinc/11/52/84/572115284.db2.gz PLSBFCFIPOGNKO-UHFFFAOYSA-N 0 1 537.667 3.893 40 0 KHABMN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1C ZINC000226053132 572117757 /nfs/dbraw/zinc/11/77/57/572117757.db2.gz BYJOILCSGIDJDI-UHFFFAOYSA-N 0 1 565.721 3.931 40 0 KHABMN CCN(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000226054934 572118765 /nfs/dbraw/zinc/11/87/65/572118765.db2.gz OGQOQMUEBRKAPW-UHFFFAOYSA-N 0 1 514.460 3.698 40 0 KHABMN COc1ccc(N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000226056826 572119555 /nfs/dbraw/zinc/11/95/55/572119555.db2.gz NKHKHOXYGWLNLP-UHFFFAOYSA-N 0 1 567.693 3.901 40 0 KHABMN COc1cccc(N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000226058869 572120615 /nfs/dbraw/zinc/12/06/15/572120615.db2.gz FBIYBCLBRPCCOG-UHFFFAOYSA-N 0 1 567.693 3.901 40 0 KHABMN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)Cc2ccccc2)cc1 ZINC000226064554 572122593 /nfs/dbraw/zinc/12/25/93/572122593.db2.gz AHQCGAHJCOCTFF-UHFFFAOYSA-N 0 1 551.694 3.970 40 0 KHABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000226073294 572127001 /nfs/dbraw/zinc/12/70/01/572127001.db2.gz ASSPMJJWSSLRKY-UHFFFAOYSA-N 0 1 550.504 3.543 40 0 KHABMN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)CC2)c(C)c1 ZINC000226076281 572128650 /nfs/dbraw/zinc/12/86/50/572128650.db2.gz IPMYORCQBYALKH-UHFFFAOYSA-N 0 1 513.689 3.706 40 0 KHABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000226082977 572131286 /nfs/dbraw/zinc/13/12/86/572131286.db2.gz WXYNPGODHNYKFT-QGZVFWFLSA-N 0 1 550.504 3.543 40 0 KHABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000226082992 572131893 /nfs/dbraw/zinc/13/18/93/572131893.db2.gz WXYNPGODHNYKFT-KRWDZBQOSA-N 0 1 550.504 3.543 40 0 KHABMN CC1CCC(N2CCN3C(=O)c4ccc(-c5ccccc5)cc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 ZINC000253395698 572283911 /nfs/dbraw/zinc/28/39/11/572283911.db2.gz CEEGOCYBLTZPCH-QMAOCHCLSA-N 0 1 561.723 3.866 40 0 KHABMN CC(C)(C)CCN1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253395769 572283996 /nfs/dbraw/zinc/28/39/96/572283996.db2.gz CMAHVOYDVRRMIY-CFJXPYFLSA-N 0 1 570.775 3.617 40 0 KHABMN CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCCCC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253398704 572284439 /nfs/dbraw/zinc/28/44/39/572284439.db2.gz HINGZUNJEIBJIT-JGDRUYDSSA-N 0 1 568.759 3.513 40 0 KHABMN O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CCN(C3CCC(F)(F)CC3)C[C@@H]12 ZINC000253399538 572284824 /nfs/dbraw/zinc/28/48/24/572284824.db2.gz JQUKLBQZRXNARU-KEQINOFFSA-N 0 1 583.676 3.865 40 0 KHABMN CC(C)(C)CCN1CCN2C(=O)c3ccc(-c4ccccc4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253402803 572285445 /nfs/dbraw/zinc/28/54/45/572285445.db2.gz OTHNGFIFATUBQC-KEQINOFFSA-N 0 1 549.712 3.723 40 0 KHABMN O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CCN(C3CCCCC3)C[C@@H]12 ZINC000253407178 572286671 /nfs/dbraw/zinc/28/66/71/572286671.db2.gz VRCRHESIPGDKBC-UTDCNRKPSA-N 0 1 547.696 3.620 40 0 KHABMN CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC(F)(F)CC4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253408570 572287083 /nfs/dbraw/zinc/28/70/83/572287083.db2.gz YERCAMBJKOTVLS-CFJXPYFLSA-N 0 1 604.739 3.758 40 0 KHABMN CC1(C)[C@H](OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253477026 572289900 /nfs/dbraw/zinc/28/99/00/572289900.db2.gz CMNNHTKQYWQTPY-HYABQPPKSA-N 0 1 519.686 3.646 40 0 KHABMN CC1(C)[C@H](OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253477027 572289904 /nfs/dbraw/zinc/28/99/04/572289904.db2.gz CMNNHTKQYWQTPY-LKHOTCESSA-N 0 1 519.686 3.646 40 0 KHABMN O=C([O-])c1cnc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)nc1COc1ccc(F)c(Cl)c1 ZINC000257206885 572306912 /nfs/dbraw/zinc/30/69/12/572306912.db2.gz BFIABELFZMRXCO-UHFFFAOYSA-N 0 1 504.921 3.886 40 0 KHABMN O=C([O-])c1cccc(Br)c1OCC(=O)N(CCC[NH+]1CCOCC1)Cc1ccc(Cl)cc1 ZINC000257242563 572310401 /nfs/dbraw/zinc/31/04/01/572310401.db2.gz IDDASVFPOWWLJW-UHFFFAOYSA-N 0 1 525.827 3.931 40 0 KHABMN CCN1CCN(CC(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000257258747 572311922 /nfs/dbraw/zinc/31/19/22/572311922.db2.gz KVIRACIUQBCSTA-IGKIAQTJSA-N 0 1 527.109 3.622 40 0 KHABMN CCN1CCN(CC(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCc4ccccc4C3)CC2)CC1 ZINC000257260336 572312130 /nfs/dbraw/zinc/31/21/30/572312130.db2.gz LCJZXHJRRDMEMX-UHFFFAOYSA-N 0 1 553.147 3.940 40 0 KHABMN COc1c(CN2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)nn1C ZINC000257290449 572314900 /nfs/dbraw/zinc/31/49/00/572314900.db2.gz QCZRNDLLDQUBQM-HHHXNRCGSA-N 0 1 518.102 3.524 40 0 KHABMN COc1c(CN2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)nn1C ZINC000257290450 572314868 /nfs/dbraw/zinc/31/48/68/572314868.db2.gz QCZRNDLLDQUBQM-MHZLTWQESA-N 0 1 518.102 3.524 40 0 KHABMN O=C([O-])c1cnc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)nc1COc1ccc2c(c1)CCCC2 ZINC000257311332 572317003 /nfs/dbraw/zinc/31/70/03/572317003.db2.gz UIYXZNSZJPWALE-UHFFFAOYSA-N 0 1 506.578 3.973 40 0 KHABMN O=C([O-])c1cccc(Br)c1OCC(=O)N(CCC[NH+]1CCOCC1)Cc1cccc(Cl)c1 ZINC000257320053 572317832 /nfs/dbraw/zinc/31/78/32/572317832.db2.gz VVDODZJKHOBBQW-UHFFFAOYSA-N 0 1 525.827 3.931 40 0 KHABMN Cc1ncc(CN2CCC3(CC2)C/C=C/COc2ccccc2C(=O)NC[C@@H](Cc2ccccc2)NC3=O)cn1 ZINC000257326684 572318470 /nfs/dbraw/zinc/31/84/70/572318470.db2.gz WYEUHABPFSAURG-OVWDNRNUSA-N 0 1 539.680 3.863 40 0 KHABMN CCN1CCN(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000257339116 572319789 /nfs/dbraw/zinc/31/97/89/572319789.db2.gz ZAGRSYRRZRTDBE-IGKIAQTJSA-N 0 1 571.560 3.731 40 0 KHABMN CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CC[N@H+]1[C@H]42 ZINC000257906202 572322573 /nfs/dbraw/zinc/32/25/73/572322573.db2.gz QZRIMAMDGWAHPQ-ABDGNNESSA-N 0 1 794.902 3.997 40 0 KHABMN CC[C@@]12CC(C(=O)OC)=C3Nc4cc5c(cc4[C@]34CC[NH+](C[C@H]3O[C@H]31)[C@H]42)[C@@H]1[C@H](O5)[C@@H](O)[C@@]2(CC)CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@]34CC[N@H+]1[C@H]42 ZINC000257906236 572322586 /nfs/dbraw/zinc/32/25/86/572322586.db2.gz QZRIMAMDGWAHPQ-GMNDCMHISA-N 0 1 794.902 3.997 40 0 KHABMN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)cc1Cl ZINC000260739904 572324682 /nfs/dbraw/zinc/32/46/82/572324682.db2.gz KSHSKNVJWMCVKE-SFHVURJKSA-N 0 1 550.106 3.833 40 0 KHABMN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)C2)c(C)c1 ZINC000260743388 572324982 /nfs/dbraw/zinc/32/49/82/572324982.db2.gz PKWRUUICYOCIJU-NRFANRHFSA-N 0 1 513.689 3.706 40 0 KHABMN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)C1 ZINC000260752403 572325992 /nfs/dbraw/zinc/32/59/92/572325992.db2.gz YIWDQLYUOTWCBR-SFHVURJKSA-N 0 1 550.106 3.833 40 0 KHABMN CCc1cccc(CC)c1NC(=O)N1CC2=C(C1)[C@H](NC(=O)c1ccc(N3CCN(C)CC3)cc1)N=N2 ZINC000299754507 572133490 /nfs/dbraw/zinc/13/34/90/572133490.db2.gz AUDAWQXMSFSTLQ-AREMUKBSSA-N 0 1 501.635 3.887 40 0 KHABMN CCc1cccc(CC)c1NC(=O)N1CC2=C(C1)[C@@H](NC(=O)c1ccc(N3CCN(C)CC3)cc1)N=N2 ZINC000299754508 572133303 /nfs/dbraw/zinc/13/33/03/572133303.db2.gz AUDAWQXMSFSTLQ-SANMLTNESA-N 0 1 501.635 3.887 40 0 KHABMN C[NH+](C)CCCNc1nc(NNc2ccc(S(=O)(=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328965551 572146853 /nfs/dbraw/zinc/14/68/53/572146853.db2.gz CEEKXGMDMHCHNY-UHFFFAOYSA-N 0 1 526.541 4.092 40 0 KHABMN CN(C)CCNc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000329006298 572149007 /nfs/dbraw/zinc/14/90/07/572149007.db2.gz LCNIVXPRNMQTOB-UHFFFAOYSA-N 0 1 511.530 4.224 40 0 KHABMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000408543550 572213311 /nfs/dbraw/zinc/21/33/11/572213311.db2.gz FFGAJMCDXHPDRA-UHFFFAOYSA-N 0 1 502.932 3.966 40 0 KHABMN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)c(C(=O)OCC)c1C ZINC000408545042 572217275 /nfs/dbraw/zinc/21/72/75/572217275.db2.gz OBMSNBWVOGKIDN-UHFFFAOYSA-N 0 1 504.590 3.934 40 0 KHABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408545314 572218406 /nfs/dbraw/zinc/21/84/06/572218406.db2.gz KFIZRNSRHAIMME-UHFFFAOYSA-N 0 1 524.418 3.874 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408545389 572218538 /nfs/dbraw/zinc/21/85/38/572218538.db2.gz LBCULMIYUGMSPL-UHFFFAOYSA-N 0 1 612.524 3.980 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000408547680 572226933 /nfs/dbraw/zinc/22/69/33/572226933.db2.gz LELXNXPOTCSWFN-UHFFFAOYSA-N 0 1 612.524 3.980 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c(OC)c1 ZINC000408563804 572249878 /nfs/dbraw/zinc/24/98/78/572249878.db2.gz QSSKIPJDLDXCDI-UHFFFAOYSA-N 0 1 502.545 3.783 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 ZINC000408564945 572251185 /nfs/dbraw/zinc/25/11/85/572251185.db2.gz GSSFYSCLANBJSG-UHFFFAOYSA-N 0 1 502.545 3.783 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000408572260 572257641 /nfs/dbraw/zinc/25/76/41/572257641.db2.gz HRWHKOXJOBGPPD-UHFFFAOYSA-N 0 1 511.431 3.667 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408572577 572257889 /nfs/dbraw/zinc/25/78/89/572257889.db2.gz KLBCULHRTUXHIJ-UHFFFAOYSA-N 0 1 502.640 3.870 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000408573737 572259198 /nfs/dbraw/zinc/25/91/98/572259198.db2.gz NVZDGVYZEWQOOP-UHFFFAOYSA-N 0 1 518.639 3.931 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)c1 ZINC000408575302 572260441 /nfs/dbraw/zinc/26/04/41/572260441.db2.gz UCSQNVRIVJEEEG-UHFFFAOYSA-N 0 1 600.333 3.885 40 0 KHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1 ZINC000408576367 572261276 /nfs/dbraw/zinc/26/12/76/572261276.db2.gz XORBMVHUXVGIFR-UHFFFAOYSA-N 0 1 572.856 3.610 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 ZINC000408593398 572269227 /nfs/dbraw/zinc/26/92/27/572269227.db2.gz MPKYXOYAVZSZLP-UHFFFAOYSA-N 0 1 514.556 3.861 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 ZINC000408594315 572269628 /nfs/dbraw/zinc/26/96/28/572269628.db2.gz OKOFXQIMKDNKJS-UHFFFAOYSA-N 0 1 514.556 3.861 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000408594352 572269626 /nfs/dbraw/zinc/26/96/26/572269626.db2.gz OQQIHWCTRQLSPD-UHFFFAOYSA-N 0 1 500.529 3.552 40 0 KHABMN CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1NC(=O)c1ccccc1 ZINC000408597965 572271830 /nfs/dbraw/zinc/27/18/30/572271830.db2.gz XAHXXKQEZZIHCG-UHFFFAOYSA-N 0 1 514.556 3.942 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 ZINC000408598376 572272033 /nfs/dbraw/zinc/27/20/33/572272033.db2.gz ZOOZTLPMUWNPHQ-UHFFFAOYSA-N 0 1 518.519 3.691 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408612029 572276795 /nfs/dbraw/zinc/27/67/95/572276795.db2.gz XZXJNHHSKJMBHA-INIZCTEOSA-N 0 1 520.604 3.507 40 0 KHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408612031 572276758 /nfs/dbraw/zinc/27/67/58/572276758.db2.gz XZXJNHHSKJMBHA-MRXNPFEDSA-N 0 1 520.604 3.507 40 0 KHABMN COC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc(C(=O)OC)c1 ZINC000408626052 572283673 /nfs/dbraw/zinc/28/36/73/572283673.db2.gz KSCFRFDUFQGJQK-UHFFFAOYSA-N 0 1 502.932 3.966 40 0 KHABMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2cccc(NC(C)=O)c2)n[nH]1 ZINC000408637203 572294076 /nfs/dbraw/zinc/29/40/76/572294076.db2.gz HIVLFYQYTOKLPQ-UHFFFAOYSA-N 0 1 501.590 3.910 40 0 KHABMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2ccc(NC(C)=O)cc2)n[nH]1 ZINC000408637230 572294119 /nfs/dbraw/zinc/29/41/19/572294119.db2.gz HWMJNKPKWPKAON-UHFFFAOYSA-N 0 1 501.590 3.910 40 0 KHABMN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cccc(NC(C)=O)c3)n[nH]2)c(C(=O)OCC)c1C ZINC000408637409 572294404 /nfs/dbraw/zinc/29/44/04/572294404.db2.gz JYESNJXXHNQEHY-UHFFFAOYSA-N 0 1 531.616 3.884 40 0 KHABMN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(NC(C)=O)cc3)n[nH]2)c(C(=O)OCC)c1C ZINC000408637642 572294533 /nfs/dbraw/zinc/29/45/33/572294533.db2.gz MHNAEKNTQCTRAN-UHFFFAOYSA-N 0 1 531.616 3.884 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000408677270 572319033 /nfs/dbraw/zinc/31/90/33/572319033.db2.gz CAEPDXPKWDWWMN-UHFFFAOYSA-N 0 1 561.682 3.998 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000408678243 572319758 /nfs/dbraw/zinc/31/97/58/572319758.db2.gz HQSKAEMBJQSCES-UHFFFAOYSA-N 0 1 557.694 3.985 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(C)cc4)CC3)cc2)c(OC)c1 ZINC000408678367 572319868 /nfs/dbraw/zinc/31/98/68/572319868.db2.gz GHCZDFAWSVLQBS-UHFFFAOYSA-N 0 1 587.720 3.994 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)c1 ZINC000408678892 572320091 /nfs/dbraw/zinc/32/00/91/572320091.db2.gz JIQAILYOBIIHLW-UHFFFAOYSA-N 0 1 565.695 3.606 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000408678949 572320115 /nfs/dbraw/zinc/32/01/15/572320115.db2.gz GIYHZFZDWSEQTH-GOSISDBHSA-N 0 1 549.696 3.905 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000408678955 572320187 /nfs/dbraw/zinc/32/01/87/572320187.db2.gz GIYHZFZDWSEQTH-SFHVURJKSA-N 0 1 549.696 3.905 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)cc2)c1 ZINC000408679486 572320551 /nfs/dbraw/zinc/32/05/51/572320551.db2.gz MGXXAVYKGKWGBZ-UHFFFAOYSA-N 0 1 587.720 3.994 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)c1 ZINC000408679694 572320721 /nfs/dbraw/zinc/32/07/21/572320721.db2.gz JXMQQWNVQHRGPY-UHFFFAOYSA-N 0 1 573.693 3.685 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408680190 572320977 /nfs/dbraw/zinc/32/09/77/572320977.db2.gz PIKNLJWREIMDJV-UHFFFAOYSA-N 0 1 561.682 3.998 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(C)c4)CC3)cc2)c(OC)c1 ZINC000408680544 572321128 /nfs/dbraw/zinc/32/11/28/572321128.db2.gz NGMJMOQOCZMSNJ-UHFFFAOYSA-N 0 1 587.720 3.994 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)cc2)c1 ZINC000408680906 572321449 /nfs/dbraw/zinc/32/14/49/572321449.db2.gz STSLNWFFYCFLDT-UHFFFAOYSA-N 0 1 591.683 3.824 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)cc2)c(OC)c1 ZINC000408681096 1066541542 /nfs/dbraw/zinc/54/15/42/1066541542.db2.gz OZCGAPKMRMYIRC-UHFFFAOYSA-N 0 1 591.683 3.824 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)cc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408681207 1066541587 /nfs/dbraw/zinc/54/15/87/1066541587.db2.gz QCCVBKUUNRRIND-UHFFFAOYSA-N 0 1 561.682 3.998 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)c1 ZINC000408681208 1066541499 /nfs/dbraw/zinc/54/14/99/1066541499.db2.gz QCTKPGYGLWNCOW-KRWDZBQOSA-N 0 1 565.695 3.606 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)c1 ZINC000408681211 1066541484 /nfs/dbraw/zinc/54/14/84/1066541484.db2.gz QCTKPGYGLWNCOW-QGZVFWFLSA-N 0 1 565.695 3.606 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000408681897 1066541072 /nfs/dbraw/zinc/54/10/72/1066541072.db2.gz VNDJGDYWFVOMPA-UHFFFAOYSA-N 0 1 531.656 3.989 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCCC4)c3)cc2)c1 ZINC000408693264 1066544873 /nfs/dbraw/zinc/54/48/73/1066544873.db2.gz LTLCTZAHPJOHCO-UHFFFAOYSA-N 0 1 575.665 3.550 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000408693272 1066544821 /nfs/dbraw/zinc/54/48/21/1066544821.db2.gz MFMIODBUPBHHHM-UHFFFAOYSA-N 0 1 559.666 3.850 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCC4)c3)cc2)c1 ZINC000408693458 1066544849 /nfs/dbraw/zinc/54/48/49/1066544849.db2.gz VNTDEIKUVBRZAC-UHFFFAOYSA-N 0 1 589.692 3.940 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)c(OC)c1 ZINC000408693905 1066544434 /nfs/dbraw/zinc/54/44/34/1066544434.db2.gz AXXWKIAZHQMSMQ-UHFFFAOYSA-N 0 1 565.695 3.606 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000408694375 1066543463 /nfs/dbraw/zinc/54/34/63/1066543463.db2.gz DXACVTLARCSAAQ-UHFFFAOYSA-N 0 1 549.696 3.905 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)c(OC)c1 ZINC000408694438 1066543900 /nfs/dbraw/zinc/54/39/00/1066543900.db2.gz HAXXFFVCRRHIAE-KRWDZBQOSA-N 0 1 565.695 3.606 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)c(OC)c1 ZINC000408694439 1066543704 /nfs/dbraw/zinc/54/37/04/1066543704.db2.gz HAXXFFVCRRHIAE-QGZVFWFLSA-N 0 1 565.695 3.606 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000408694517 1066543474 /nfs/dbraw/zinc/54/34/74/1066543474.db2.gz IXXMHVQUPXRIBW-UHFFFAOYSA-N 0 1 547.655 3.690 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)cc2)c(OC)c1 ZINC000408694637 1066543177 /nfs/dbraw/zinc/54/31/77/1066543177.db2.gz LECGSKNQWUWFKR-UHFFFAOYSA-N 0 1 591.683 3.824 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(C)c4)CC3)cc2)c1 ZINC000408694922 1066543253 /nfs/dbraw/zinc/54/32/53/1066543253.db2.gz JXPFIAWWZRLYDJ-UHFFFAOYSA-N 0 1 587.720 3.994 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(C)cc4)CC3)cc2)c1 ZINC000408695163 1066542737 /nfs/dbraw/zinc/54/27/37/1066542737.db2.gz LPVZWYHAFSRSKJ-UHFFFAOYSA-N 0 1 587.720 3.994 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)c(OC)c1 ZINC000408695553 1066542747 /nfs/dbraw/zinc/54/27/47/1066542747.db2.gz REFYLIRKIAVKPQ-UHFFFAOYSA-N 0 1 573.693 3.685 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)cc2)c(OC)c1 ZINC000408695636 1066542844 /nfs/dbraw/zinc/54/28/44/1066542844.db2.gz SIXMWQHTJDSTSO-UHFFFAOYSA-N 0 1 587.720 3.994 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)cc3)S(C)(=O)=O)cc2)c1 ZINC000408695667 1066542150 /nfs/dbraw/zinc/54/21/50/1066542150.db2.gz XFQCPOPEIMOKMO-UHFFFAOYSA-N 0 1 561.682 3.998 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408695814 1066542301 /nfs/dbraw/zinc/54/23/01/1066542301.db2.gz ZZQCDBZIKZQABQ-UHFFFAOYSA-N 0 1 547.655 3.690 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)cc2)c1 ZINC000408695985 1066542216 /nfs/dbraw/zinc/54/22/16/1066542216.db2.gz YANPCKQFXKQTFG-UHFFFAOYSA-N 0 1 591.683 3.824 40 0 KHABMN CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1 ZINC000408700257 1066552471 /nfs/dbraw/zinc/55/24/71/1066552471.db2.gz BXAVADXDSKMFKB-UHFFFAOYSA-N 0 1 519.601 3.519 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3OC)cc2)c(OC)c1 ZINC000408700619 1066551797 /nfs/dbraw/zinc/55/17/97/1066551797.db2.gz JANPUVXHWGJQEX-UHFFFAOYSA-N 0 1 589.692 3.940 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000408701483 1066551191 /nfs/dbraw/zinc/55/11/91/1066551191.db2.gz YRPPPSYRBQSIIC-UHFFFAOYSA-N 0 1 580.084 3.731 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)cc2)c(OC)c1 ZINC000408701588 1066551470 /nfs/dbraw/zinc/55/14/70/1066551470.db2.gz AJTUPJUVWFHYOI-UHFFFAOYSA-N 0 1 559.666 3.850 40 0 KHABMN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1 ZINC000408702927 1066550884 /nfs/dbraw/zinc/55/08/84/1066550884.db2.gz KFLIBBOBHLBSHD-UHFFFAOYSA-N 0 1 533.628 3.543 40 0 KHABMN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)cc1 ZINC000408703487 1066550315 /nfs/dbraw/zinc/55/03/15/1066550315.db2.gz SIZWQDPYBWLRDE-UHFFFAOYSA-N 0 1 517.629 3.843 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc2)c(OC)c1 ZINC000408703558 1066550071 /nfs/dbraw/zinc/55/00/71/1066550071.db2.gz SSIRRQWEXBPVQJ-UHFFFAOYSA-N 0 1 575.665 3.550 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000408703788 1066550042 /nfs/dbraw/zinc/55/00/42/1066550042.db2.gz HCVXDXWGILTMFM-UHFFFAOYSA-N 0 1 575.665 3.718 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408705861 1066548418 /nfs/dbraw/zinc/54/84/18/1066548418.db2.gz OZCCKVBEGSSOLJ-UHFFFAOYSA-N 0 1 565.645 3.829 40 0 KHABMN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)cc1 ZINC000408706417 1066190691 /nfs/dbraw/zinc/19/06/91/1066190691.db2.gz PCUPNZFEWZZKLR-UHFFFAOYSA-N 0 1 533.628 3.543 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000408711133 1066555248 /nfs/dbraw/zinc/55/52/48/1066555248.db2.gz OLNBTVZSUGGZHH-INIZCTEOSA-N 0 1 598.099 3.960 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000408711134 1066555234 /nfs/dbraw/zinc/55/52/34/1066555234.db2.gz OLNBTVZSUGGZHH-MRXNPFEDSA-N 0 1 598.099 3.960 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408711347 1066555219 /nfs/dbraw/zinc/55/52/19/1066555219.db2.gz KTMSEFKUWIDSIJ-INIZCTEOSA-N 0 1 598.099 3.960 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408711348 1066555146 /nfs/dbraw/zinc/55/51/46/1066555146.db2.gz KTMSEFKUWIDSIJ-MRXNPFEDSA-N 0 1 598.099 3.960 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408712262 1066555312 /nfs/dbraw/zinc/55/53/12/1066555312.db2.gz FAOLWYAEBWPFPN-IBGZPJMESA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(OC)c1 ZINC000408712263 1066555117 /nfs/dbraw/zinc/55/51/17/1066555117.db2.gz FAOLWYAEBWPFPN-LJQANCHMSA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408712578 1066554594 /nfs/dbraw/zinc/55/45/94/1066554594.db2.gz VPTNSCCYYIGVDV-IBGZPJMESA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000408712579 1066554644 /nfs/dbraw/zinc/55/46/44/1066554644.db2.gz VPTNSCCYYIGVDV-LJQANCHMSA-N 0 1 561.682 3.915 40 0 KHABMN O=c1/c(=C/c2cc(Br)cc(Br)c2O)sc2nc3cc(Br)cnc3n12 ZINC000408721548 1066557318 /nfs/dbraw/zinc/55/73/18/1066557318.db2.gz SOWSETRLPBAHPV-FUQNDXKWSA-N 0 1 532.011 3.845 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408725726 1066556909 /nfs/dbraw/zinc/55/69/09/1066556909.db2.gz JEGNJPRUODDQRS-IDQDRXHYSA-N 0 1 685.334 3.888 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408725728 1066556397 /nfs/dbraw/zinc/55/63/97/1066556397.db2.gz JEGNJPRUODDQRS-KEBMYNNESA-N 0 1 685.334 3.888 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408725791 1066556273 /nfs/dbraw/zinc/55/62/73/1066556273.db2.gz KHGULRJCVBIBSB-FVLHSZHDSA-N 0 1 631.311 3.933 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408725793 1066556306 /nfs/dbraw/zinc/55/63/06/1066556306.db2.gz KHGULRJCVBIBSB-NQUDRAQSSA-N 0 1 631.311 3.933 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408726592 1066556244 /nfs/dbraw/zinc/55/62/44/1066556244.db2.gz ORDACAYXTBAZPV-IDQDRXHYSA-N 0 1 685.334 3.888 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408726594 1066556423 /nfs/dbraw/zinc/55/64/23/1066556423.db2.gz ORDACAYXTBAZPV-KEBMYNNESA-N 0 1 685.334 3.888 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408727019 1066555739 /nfs/dbraw/zinc/55/57/39/1066555739.db2.gz PIIGCKBCKFOZAQ-DMGNWNAPSA-N 0 1 669.291 3.600 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408727029 1066555773 /nfs/dbraw/zinc/55/57/73/1066555773.db2.gz PIIGCKBCKFOZAQ-UIHGZKEASA-N 0 1 669.291 3.600 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408727906 1066562162 /nfs/dbraw/zinc/56/21/62/1066562162.db2.gz YLWBWFFVHYGSHV-BUDOKORBSA-N 0 1 655.308 3.880 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000408727907 1066562240 /nfs/dbraw/zinc/56/22/40/1066562240.db2.gz YLWBWFFVHYGSHV-OBXYEHHASA-N 0 1 655.308 3.880 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408728435 1066561612 /nfs/dbraw/zinc/56/16/12/1066561612.db2.gz MHCKSBWAGRFPQZ-BUDOKORBSA-N 0 1 655.308 3.880 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408728436 1066561662 /nfs/dbraw/zinc/56/16/62/1066561662.db2.gz MHCKSBWAGRFPQZ-OBXYEHHASA-N 0 1 655.308 3.880 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408728874 1066561772 /nfs/dbraw/zinc/56/17/72/1066561772.db2.gz VVNZLKNLBSFTLX-GTENMVSRSA-N 0 1 625.282 3.871 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408728875 1066561690 /nfs/dbraw/zinc/56/16/90/1066561690.db2.gz VVNZLKNLBSFTLX-OXRZLYTFSA-N 0 1 625.282 3.871 40 0 KHABMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000408730692 1066560712 /nfs/dbraw/zinc/56/07/12/1066560712.db2.gz HCDSFSGZTGKIHP-JYWRCUDFSA-N 0 1 519.406 3.928 40 0 KHABMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000408730693 1066560546 /nfs/dbraw/zinc/56/05/46/1066560546.db2.gz HCDSFSGZTGKIHP-JZVSFUAJSA-N 0 1 519.406 3.928 40 0 KHABMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@@H]1c1ccc(O)c(OC)c1 ZINC000408732215 1066560188 /nfs/dbraw/zinc/56/01/88/1066560188.db2.gz PNDKTYHQGJXZEI-BFHGZXLWSA-N 0 1 535.405 3.634 40 0 KHABMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@H]1c1ccc(O)c(OC)c1 ZINC000408732216 1066560310 /nfs/dbraw/zinc/56/03/10/1066560310.db2.gz PNDKTYHQGJXZEI-FUJWGRRUSA-N 0 1 535.405 3.634 40 0 KHABMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@H]1c1ccc2c(c1)OCO2 ZINC000408733336 1066559225 /nfs/dbraw/zinc/55/92/25/1066559225.db2.gz XPOIEWFFMIZZBV-FFMVHGEESA-N 0 1 533.389 3.648 40 0 KHABMN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3O)sc2=N[C@@H]1c1ccc2c(c1)OCO2 ZINC000408733337 1066559021 /nfs/dbraw/zinc/55/90/21/1066559021.db2.gz XPOIEWFFMIZZBV-RTXJXEIKSA-N 0 1 533.389 3.648 40 0 KHABMN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408752995 1066566387 /nfs/dbraw/zinc/56/63/87/1066566387.db2.gz NBNSDDIHESAYLK-VUZIPCMWSA-N 0 1 692.700 3.976 40 0 KHABMN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408752997 1066566508 /nfs/dbraw/zinc/56/65/08/1066566508.db2.gz NBNSDDIHESAYLK-YZIPPPLESA-N 0 1 692.700 3.976 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408772344 1066212122 /nfs/dbraw/zinc/21/21/22/1066212122.db2.gz OGOXGCKTWLYHCG-DDYRAIOVSA-N 0 1 690.272 3.852 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408772346 1066572688 /nfs/dbraw/zinc/57/26/88/1066572688.db2.gz OGOXGCKTWLYHCG-WSDUQJHMSA-N 0 1 690.272 3.852 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1cccs1 ZINC000408780442 1066213819 /nfs/dbraw/zinc/21/38/19/1066213819.db2.gz YPCAJXMMHKUSRP-KCPLEYNQSA-N 0 1 539.860 3.981 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1cccs1 ZINC000408780443 1066575493 /nfs/dbraw/zinc/57/54/93/1066575493.db2.gz YPCAJXMMHKUSRP-XYMPBJBSSA-N 0 1 539.860 3.981 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408783926 1066577614 /nfs/dbraw/zinc/57/76/14/1066577614.db2.gz OSKHTMUGNYPBIX-IISPMBILSA-N 0 1 507.370 3.950 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408783932 1066577573 /nfs/dbraw/zinc/57/75/73/1066577573.db2.gz OSKHTMUGNYPBIX-VZZQTLFRSA-N 0 1 507.370 3.950 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408825969 1066586080 /nfs/dbraw/zinc/58/60/80/1066586080.db2.gz KGDMTPDFEHPDSJ-BGDLGKLSSA-N 0 1 558.660 3.576 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408825972 1066217105 /nfs/dbraw/zinc/21/71/05/1066217105.db2.gz KGDMTPDFEHPDSJ-LFDDYCMJSA-N 0 1 558.660 3.576 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408825974 1066586014 /nfs/dbraw/zinc/58/60/14/1066586014.db2.gz KGDMTPDFEHPDSJ-XCNSGZPQSA-N 0 1 558.660 3.576 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408825977 1066586109 /nfs/dbraw/zinc/58/61/09/1066586109.db2.gz KGDMTPDFEHPDSJ-YEODQUBPSA-N 0 1 558.660 3.576 40 0 KHABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408919245 1066612636 /nfs/dbraw/zinc/61/26/36/1066612636.db2.gz VFWROLNSYWALQX-VGOFMYFVSA-N 0 1 529.128 3.822 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccccc1OC ZINC000408919579 1066612678 /nfs/dbraw/zinc/61/26/78/1066612678.db2.gz BFCIJZCACMJGHM-JYWRCUDFSA-N 0 1 563.857 3.928 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408919581 1066230605 /nfs/dbraw/zinc/23/06/05/1066230605.db2.gz BFCIJZCACMJGHM-JZVSFUAJSA-N 0 1 563.857 3.928 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408920037 1066612693 /nfs/dbraw/zinc/61/26/93/1066612693.db2.gz GMMVNJIABDJIJF-WQLLJXGDSA-N 0 1 715.360 3.897 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408920038 1066612620 /nfs/dbraw/zinc/61/26/20/1066612620.db2.gz GMMVNJIABDJIJF-YOGOOIESSA-N 0 1 715.360 3.897 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000408920595 1066191546 /nfs/dbraw/zinc/19/15/46/1066191546.db2.gz JUHPQPYIDOFJEV-UHFFFAOYSA-N 0 1 517.629 3.518 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000408920664 1066611546 /nfs/dbraw/zinc/61/15/46/1066611546.db2.gz MDSWQVZMMMBSFQ-UHFFFAOYSA-N 0 1 531.656 3.826 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408921480 1066229389 /nfs/dbraw/zinc/22/93/89/1066229389.db2.gz NIDCPGUOHYXJJR-JYWRCUDFSA-N 0 1 655.308 3.880 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408921487 1066229489 /nfs/dbraw/zinc/22/94/89/1066229489.db2.gz NIDCPGUOHYXJJR-JZVSFUAJSA-N 0 1 655.308 3.880 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)c1 ZINC000408921667 1066610673 /nfs/dbraw/zinc/61/06/73/1066610673.db2.gz CADUPSVZUIPQSG-UHFFFAOYSA-N 0 1 511.600 3.589 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000408922321 1066610728 /nfs/dbraw/zinc/61/07/28/1066610728.db2.gz ZHXJOSGVCIIIQL-UHFFFAOYSA-N 0 1 538.047 3.863 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000408924370 1066232216 /nfs/dbraw/zinc/23/22/16/1066232216.db2.gz HOZIRWOBYHCOTH-UHFFFAOYSA-N 0 1 531.656 3.826 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000408925026 1066609564 /nfs/dbraw/zinc/60/95/64/1066609564.db2.gz RVBFYIUAKICEAC-UHFFFAOYSA-N 0 1 538.047 3.863 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000408926677 1066608325 /nfs/dbraw/zinc/60/83/25/1066608325.db2.gz VXBKBPMFRTYRLW-UHFFFAOYSA-N 0 1 582.660 3.734 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 ZINC000408926951 1066608456 /nfs/dbraw/zinc/60/84/56/1066608456.db2.gz RVBPYWIWYPLSTG-UHFFFAOYSA-N 0 1 582.498 3.972 40 0 KHABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1)S(C)(=O)=O ZINC000408927495 1066232750 /nfs/dbraw/zinc/23/27/50/1066232750.db2.gz WCCBPQNPURYPAN-UHFFFAOYSA-N 0 1 547.655 3.608 40 0 KHABMN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(O)c(I)c4)c(=O)n32)cc1OCC ZINC000408931936 1066618748 /nfs/dbraw/zinc/61/87/48/1066618748.db2.gz AAELGVJZRBAPFC-PKZJLGKPSA-N 0 1 732.334 3.730 40 0 KHABMN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(O)c(I)c4)c(=O)n32)cc1OCC ZINC000408931938 1066233396 /nfs/dbraw/zinc/23/33/96/1066233396.db2.gz AAELGVJZRBAPFC-UYNZCYITSA-N 0 1 732.334 3.730 40 0 KHABMN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408934815 1066616900 /nfs/dbraw/zinc/61/69/00/1066616900.db2.gz DCCJHUSLXFSZBW-IABUVPNTSA-N 0 1 722.726 3.985 40 0 KHABMN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408934816 1066616871 /nfs/dbraw/zinc/61/68/71/1066616871.db2.gz DCCJHUSLXFSZBW-OGHDXOPJSA-N 0 1 722.726 3.985 40 0 KHABMN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(Br)c4O)c(=O)n32)cc1OCC ZINC000408935249 1066234791 /nfs/dbraw/zinc/23/47/91/1066234791.db2.gz NBNBODMERDDIMO-PKZJLGKPSA-N 0 1 593.883 3.937 40 0 KHABMN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(Br)c4O)c(=O)n32)cc1OCC ZINC000408935251 1066616927 /nfs/dbraw/zinc/61/69/27/1066616927.db2.gz NBNBODMERDDIMO-UYNZCYITSA-N 0 1 593.883 3.937 40 0 KHABMN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(Cl)c4O)c(=O)n32)cc1OCC ZINC000408943754 1066621977 /nfs/dbraw/zinc/62/19/77/1066621977.db2.gz YUTRRBIIIPBFHB-FSBBIFGZSA-N 0 1 593.883 3.937 40 0 KHABMN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(Cl)c4O)c(=O)n32)cc1OCC ZINC000408943757 1066621910 /nfs/dbraw/zinc/62/19/10/1066621910.db2.gz YUTRRBIIIPBFHB-QWTUVSAPSA-N 0 1 593.883 3.937 40 0 KHABMN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1OCC ZINC000408943922 1066239081 /nfs/dbraw/zinc/23/90/81/1066239081.db2.gz ZQMBUESPXTVAES-PKZJLGKPSA-N 0 1 549.432 3.828 40 0 KHABMN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n32)cc1OCC ZINC000408943924 1066238830 /nfs/dbraw/zinc/23/88/30/1066238830.db2.gz ZQMBUESPXTVAES-UYNZCYITSA-N 0 1 549.432 3.828 40 0 KHABMN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1OCC ZINC000408943965 1066619293 /nfs/dbraw/zinc/61/92/93/1066619293.db2.gz ZVALZFTWABVAFZ-PKZJLGKPSA-N 0 1 685.334 3.888 40 0 KHABMN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)c(I)c4)c(=O)n32)cc1OCC ZINC000408943967 1066619458 /nfs/dbraw/zinc/61/94/58/1066619458.db2.gz ZVALZFTWABVAFZ-UYNZCYITSA-N 0 1 685.334 3.888 40 0 KHABMN C=C1N=C(SCC(=O)Nc2ccc(OC)cc2)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985239 1066649249 /nfs/dbraw/zinc/64/92/49/1066649249.db2.gz ALPDIODJJLYDOB-HSZRJFAPSA-N 0 1 529.615 3.930 40 0 KHABMN C=C1N=C(SCC(=O)Nc2ccc(OC)cc2)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985260 1066649148 /nfs/dbraw/zinc/64/91/48/1066649148.db2.gz ALPDIODJJLYDOB-QHCPKHFHSA-N 0 1 529.615 3.930 40 0 KHABMN C=C1N=C(SCC(=O)Nc2ccccc2OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408991008 1066656248 /nfs/dbraw/zinc/65/62/48/1066656248.db2.gz PJCVVCQQPVCRTP-HSZRJFAPSA-N 0 1 529.615 3.930 40 0 KHABMN C=C1N=C(SCC(=O)Nc2ccccc2OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408991011 1066193501 /nfs/dbraw/zinc/19/35/01/1066193501.db2.gz PJCVVCQQPVCRTP-QHCPKHFHSA-N 0 1 529.615 3.930 40 0 KHABMN O=C1N/C(=C/c2cc(I)c(O)c(I)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000409009501 1066665169 /nfs/dbraw/zinc/66/51/69/1066665169.db2.gz AOBKEFODZMHYJJ-VGOFMYFVSA-N 0 1 564.092 3.833 40 0 KHABMN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n21 ZINC000409015588 1066662173 /nfs/dbraw/zinc/66/21/73/1066662173.db2.gz CNYJLPUQGCYBAY-IAQXYPRLSA-N 0 1 579.078 3.839 40 0 KHABMN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n21 ZINC000409015592 1066662138 /nfs/dbraw/zinc/66/21/38/1066662138.db2.gz CNYJLPUQGCYBAY-KCNAVOCSSA-N 0 1 579.078 3.839 40 0 KHABMN COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n21 ZINC000409015596 1066662156 /nfs/dbraw/zinc/66/21/56/1066662156.db2.gz CNYJLPUQGCYBAY-LNEOCIKXSA-N 0 1 579.078 3.839 40 0 KHABMN COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n21 ZINC000409015601 1066662207 /nfs/dbraw/zinc/66/22/07/1066662207.db2.gz CNYJLPUQGCYBAY-PEIDGHJYSA-N 0 1 579.078 3.839 40 0 KHABMN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)c1 ZINC000409016241 1066662192 /nfs/dbraw/zinc/66/21/92/1066662192.db2.gz FTSXRTHANVVFIG-JGFZCMBDSA-N 0 1 577.666 3.873 40 0 KHABMN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)c1 ZINC000409016245 1066662078 /nfs/dbraw/zinc/66/20/78/1066662078.db2.gz FTSXRTHANVVFIG-PJEDMOSUSA-N 0 1 577.666 3.873 40 0 KHABMN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)c1 ZINC000409016249 1066662255 /nfs/dbraw/zinc/66/22/55/1066662255.db2.gz FTSXRTHANVVFIG-TZDPMEOISA-N 0 1 577.666 3.873 40 0 KHABMN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)c1 ZINC000409016253 1066251917 /nfs/dbraw/zinc/25/19/17/1066251917.db2.gz FTSXRTHANVVFIG-WYXFLIMSSA-N 0 1 577.666 3.873 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cccs1 ZINC000409016360 1066661440 /nfs/dbraw/zinc/66/14/40/1066661440.db2.gz HKOVGTAZWHBVFM-BFCMTDHTSA-N 0 1 568.680 3.988 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cccs1 ZINC000409016362 1066661280 /nfs/dbraw/zinc/66/12/80/1066661280.db2.gz HKOVGTAZWHBVFM-IUEJWZSQSA-N 0 1 568.680 3.988 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cccs1 ZINC000409016363 1066661382 /nfs/dbraw/zinc/66/13/82/1066661382.db2.gz HKOVGTAZWHBVFM-QXOOTOSBSA-N 0 1 568.680 3.988 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cccs1 ZINC000409016365 1066662232 /nfs/dbraw/zinc/66/22/32/1066662232.db2.gz HKOVGTAZWHBVFM-XRZUWUMUSA-N 0 1 568.680 3.988 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409016817 1066661468 /nfs/dbraw/zinc/66/14/68/1066661468.db2.gz ACIPNMFGVGJXKO-BQKOIMKZSA-N 0 1 609.502 3.560 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409016821 1066252576 /nfs/dbraw/zinc/25/25/76/1066252576.db2.gz ACIPNMFGVGJXKO-BXYCGAKUSA-N 0 1 609.502 3.560 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409016823 1066661369 /nfs/dbraw/zinc/66/13/69/1066661369.db2.gz ACIPNMFGVGJXKO-FUWYANJPSA-N 0 1 609.502 3.560 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409016826 1066661402 /nfs/dbraw/zinc/66/14/02/1066661402.db2.gz ACIPNMFGVGJXKO-LWYWAORZSA-N 0 1 609.502 3.560 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccccc1 ZINC000409017240 1066666072 /nfs/dbraw/zinc/66/60/72/1066666072.db2.gz LSKLFKBEWOWKNJ-RNXBIRPVSA-N 0 1 562.651 3.926 40 0 KHABMN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409017245 1066665947 /nfs/dbraw/zinc/66/59/47/1066665947.db2.gz YBDXKSDYVOFKQA-KEXZDQNZSA-N 0 1 573.146 3.589 40 0 KHABMN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409017246 1066665991 /nfs/dbraw/zinc/66/59/91/1066665991.db2.gz YBDXKSDYVOFKQA-PKTIUJEHSA-N 0 1 573.146 3.589 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000409017249 1066666030 /nfs/dbraw/zinc/66/60/30/1066666030.db2.gz LSKLFKBEWOWKNJ-TUIOBFTASA-N 0 1 562.651 3.926 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccccc1 ZINC000409017253 1066251188 /nfs/dbraw/zinc/25/11/88/1066251188.db2.gz LSKLFKBEWOWKNJ-UDXPDXITSA-N 0 1 562.651 3.926 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000409017255 1066666000 /nfs/dbraw/zinc/66/60/00/1066666000.db2.gz LSKLFKBEWOWKNJ-VKAYTAPYSA-N 0 1 562.651 3.926 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409018841 1066672227 /nfs/dbraw/zinc/67/22/27/1066672227.db2.gz VYHFDJZRGNBHKM-BCXCKNMESA-N 0 1 558.660 3.578 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409018845 1066672255 /nfs/dbraw/zinc/67/22/55/1066672255.db2.gz VYHFDJZRGNBHKM-BUCWHMHJSA-N 0 1 558.660 3.578 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409018848 1066672312 /nfs/dbraw/zinc/67/23/12/1066672312.db2.gz VYHFDJZRGNBHKM-LJTHHDGTSA-N 0 1 558.660 3.578 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409018852 1066253368 /nfs/dbraw/zinc/25/33/68/1066253368.db2.gz VYHFDJZRGNBHKM-UBEPTINJSA-N 0 1 558.660 3.578 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409018869 1066672285 /nfs/dbraw/zinc/67/22/85/1066672285.db2.gz WCMOOTOMXZBSCN-HJSZJZEISA-N 0 1 592.677 3.935 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409018872 1066672084 /nfs/dbraw/zinc/67/20/84/1066672084.db2.gz WCMOOTOMXZBSCN-KMXMFRAOSA-N 0 1 592.677 3.935 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409018875 1066672126 /nfs/dbraw/zinc/67/21/26/1066672126.db2.gz WCMOOTOMXZBSCN-QNDMGUKUSA-N 0 1 592.677 3.935 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409018879 1066253326 /nfs/dbraw/zinc/25/33/26/1066253326.db2.gz WCMOOTOMXZBSCN-YKEIRAJFSA-N 0 1 592.677 3.935 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409019082 1066671536 /nfs/dbraw/zinc/67/15/36/1066671536.db2.gz PAIMLUDOCOHWAR-PCWLEDLOSA-N 0 1 558.660 3.578 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409019087 1066671369 /nfs/dbraw/zinc/67/13/69/1066671369.db2.gz PAIMLUDOCOHWAR-PIUOLVKFSA-N 0 1 558.660 3.578 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409019091 1066671515 /nfs/dbraw/zinc/67/15/15/1066671515.db2.gz PAIMLUDOCOHWAR-QLYMPJBHSA-N 0 1 558.660 3.578 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409019096 1066671566 /nfs/dbraw/zinc/67/15/66/1066671566.db2.gz PAIMLUDOCOHWAR-YMSVCXJTSA-N 0 1 558.660 3.578 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409019137 1066671524 /nfs/dbraw/zinc/67/15/24/1066671524.db2.gz PNOGUCKSKSGORI-WSLJZXJOSA-N 0 1 546.674 3.511 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000409019142 1066671383 /nfs/dbraw/zinc/67/13/83/1066671383.db2.gz PNOGUCKSKSGORI-YCVUBQNHSA-N 0 1 546.674 3.511 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409019147 1066671557 /nfs/dbraw/zinc/67/15/57/1066671557.db2.gz PNOGUCKSKSGORI-ZEUVTLAWSA-N 0 1 546.674 3.511 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000409019150 1066253119 /nfs/dbraw/zinc/25/31/19/1066253119.db2.gz PNOGUCKSKSGORI-ZNOFGSDDSA-N 0 1 546.674 3.511 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409019205 1066671450 /nfs/dbraw/zinc/67/14/50/1066671450.db2.gz QAHPVYXWUZDJCX-JBZIOCGGSA-N 0 1 549.052 3.831 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409019211 1066671476 /nfs/dbraw/zinc/67/14/76/1066671476.db2.gz QAHPVYXWUZDJCX-KLLAKBQWSA-N 0 1 549.052 3.831 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409019214 1066671422 /nfs/dbraw/zinc/67/14/22/1066671422.db2.gz QAHPVYXWUZDJCX-UYUXOBFHSA-N 0 1 549.052 3.831 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000409019219 1066671410 /nfs/dbraw/zinc/67/14/10/1066671410.db2.gz QAHPVYXWUZDJCX-VJKPHSSJSA-N 0 1 549.052 3.831 40 0 KHABMN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409021377 1066252353 /nfs/dbraw/zinc/25/23/53/1066252353.db2.gz DYNPZAUKQYENBO-JSTAEBATSA-N 0 1 560.701 3.899 40 0 KHABMN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409021378 1066670163 /nfs/dbraw/zinc/67/01/63/1066670163.db2.gz DYNPZAUKQYENBO-MFYGBTIRSA-N 0 1 560.701 3.899 40 0 KHABMN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409021379 1066670779 /nfs/dbraw/zinc/67/07/79/1066670779.db2.gz DYNPZAUKQYENBO-SUJCMKCASA-N 0 1 560.701 3.899 40 0 KHABMN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409021380 1066670833 /nfs/dbraw/zinc/67/08/33/1066670833.db2.gz DYNPZAUKQYENBO-YFJDVQBHSA-N 0 1 560.701 3.899 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409022212 1066252533 /nfs/dbraw/zinc/25/25/33/1066252533.db2.gz JNLVDCZOMTZFIK-ARYGJZEMSA-N 0 1 639.528 3.569 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409022213 1066670062 /nfs/dbraw/zinc/67/00/62/1066670062.db2.gz JNLVDCZOMTZFIK-DVRCALKUSA-N 0 1 639.528 3.569 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000409022215 1066670130 /nfs/dbraw/zinc/67/01/30/1066670130.db2.gz JNLVDCZOMTZFIK-PORPUEMFSA-N 0 1 639.528 3.569 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000409022217 1066252475 /nfs/dbraw/zinc/25/24/75/1066252475.db2.gz JNLVDCZOMTZFIK-XYLAXFDJSA-N 0 1 639.528 3.569 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409022688 1066252377 /nfs/dbraw/zinc/25/23/77/1066252377.db2.gz PJQRZZKIKNNBAE-HEBUSKTMSA-N 0 1 547.640 3.865 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409022689 1066669488 /nfs/dbraw/zinc/66/94/88/1066669488.db2.gz PJQRZZKIKNNBAE-JAEKAEENSA-N 0 1 547.640 3.865 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409022690 1066669498 /nfs/dbraw/zinc/66/94/98/1066669498.db2.gz PJQRZZKIKNNBAE-OCFDGFBPSA-N 0 1 547.640 3.865 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409022691 1066670037 /nfs/dbraw/zinc/67/00/37/1066670037.db2.gz PJQRZZKIKNNBAE-SEMWCAJOSA-N 0 1 547.640 3.865 40 0 KHABMN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n21 ZINC000409022716 1066669351 /nfs/dbraw/zinc/66/93/51/1066669351.db2.gz QEZWKSZPDMOXBX-IAQXYPRLSA-N 0 1 623.529 3.949 40 0 KHABMN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n21 ZINC000409022717 1066669480 /nfs/dbraw/zinc/66/94/80/1066669480.db2.gz QEZWKSZPDMOXBX-KCNAVOCSSA-N 0 1 623.529 3.949 40 0 KHABMN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n21 ZINC000409022718 1066669422 /nfs/dbraw/zinc/66/94/22/1066669422.db2.gz QEZWKSZPDMOXBX-LNEOCIKXSA-N 0 1 623.529 3.949 40 0 KHABMN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n21 ZINC000409022719 1066669517 /nfs/dbraw/zinc/66/95/17/1066669517.db2.gz QEZWKSZPDMOXBX-PEIDGHJYSA-N 0 1 623.529 3.949 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409022978 1066252620 /nfs/dbraw/zinc/25/26/20/1066252620.db2.gz AKNQKBLQAYUDKZ-QUTSIUMYSA-N 0 1 553.669 3.926 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409022980 1066669396 /nfs/dbraw/zinc/66/93/96/1066669396.db2.gz AKNQKBLQAYUDKZ-QZNLDOEVSA-N 0 1 553.669 3.926 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409022983 1066669458 /nfs/dbraw/zinc/66/94/58/1066669458.db2.gz AKNQKBLQAYUDKZ-TZJLXGOFSA-N 0 1 553.669 3.926 40 0 KHABMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000409022985 1066668668 /nfs/dbraw/zinc/66/86/68/1066668668.db2.gz AKNQKBLQAYUDKZ-ZPPWVUOBSA-N 0 1 553.669 3.926 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409023513 1066253163 /nfs/dbraw/zinc/25/31/63/1066253163.db2.gz GJQVLMULOJIQHD-FSRLHUNPSA-N 0 1 606.660 3.655 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409023514 1066668692 /nfs/dbraw/zinc/66/86/92/1066668692.db2.gz GJQVLMULOJIQHD-FWRBMIKLSA-N 0 1 606.660 3.655 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409023516 1066668764 /nfs/dbraw/zinc/66/87/64/1066668764.db2.gz GJQVLMULOJIQHD-NDCKXWRBSA-N 0 1 606.660 3.655 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409023519 1066253183 /nfs/dbraw/zinc/25/31/83/1066253183.db2.gz GJQVLMULOJIQHD-QBRMMJICSA-N 0 1 606.660 3.655 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409023542 1066668701 /nfs/dbraw/zinc/66/87/01/1066668701.db2.gz GSKZMHUEAGLLHB-FFMVVVMGSA-N 0 1 580.666 3.951 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409023544 1066668786 /nfs/dbraw/zinc/66/87/86/1066668786.db2.gz GSKZMHUEAGLLHB-XPTPWUFLSA-N 0 1 580.666 3.951 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409023547 1066668739 /nfs/dbraw/zinc/66/87/39/1066668739.db2.gz GSKZMHUEAGLLHB-YDVQSEOWSA-N 0 1 580.666 3.951 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409023550 1066668794 /nfs/dbraw/zinc/66/87/94/1066668794.db2.gz GSKZMHUEAGLLHB-ZNBHYSKVSA-N 0 1 580.666 3.951 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409023554 1066253395 /nfs/dbraw/zinc/25/33/95/1066253395.db2.gz YVIRVZMRKDHVKT-CYQZAFKBSA-N 0 1 622.703 3.943 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409023556 1066668724 /nfs/dbraw/zinc/66/87/24/1066668724.db2.gz YVIRVZMRKDHVKT-FNWSVEHWSA-N 0 1 622.703 3.943 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409023557 1066253441 /nfs/dbraw/zinc/25/34/41/1066253441.db2.gz YVIRVZMRKDHVKT-HTLDOHBKSA-N 0 1 622.703 3.943 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000409023558 1066668644 /nfs/dbraw/zinc/66/86/44/1066668644.db2.gz YVIRVZMRKDHVKT-UTFSXQGBSA-N 0 1 622.703 3.943 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409023742 1066667946 /nfs/dbraw/zinc/66/79/46/1066667946.db2.gz OFMYRBIRXVASFB-CSWWYNTESA-N 0 1 588.686 3.586 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409023743 1066668010 /nfs/dbraw/zinc/66/80/10/1066668010.db2.gz OFMYRBIRXVASFB-HTZDHMJLSA-N 0 1 588.686 3.586 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409023744 1066668049 /nfs/dbraw/zinc/66/80/49/1066668049.db2.gz OFMYRBIRXVASFB-IPHMJRBMSA-N 0 1 588.686 3.586 40 0 KHABMN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)sc2=N1 ZINC000409023745 1066253142 /nfs/dbraw/zinc/25/31/42/1066253142.db2.gz OFMYRBIRXVASFB-WJOLIHQMSA-N 0 1 588.686 3.586 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409023858 1066668749 /nfs/dbraw/zinc/66/87/49/1066668749.db2.gz LAAUSEMDDRXCIL-BMPFTUQGSA-N 0 1 609.502 3.560 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409023859 1066668651 /nfs/dbraw/zinc/66/86/51/1066668651.db2.gz LAAUSEMDDRXCIL-IOTMUHQYSA-N 0 1 609.502 3.560 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(Br)ccc1OC ZINC000409023860 1066668022 /nfs/dbraw/zinc/66/80/22/1066668022.db2.gz LAAUSEMDDRXCIL-UKUKMUELSA-N 0 1 609.502 3.560 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(Br)ccc1OC ZINC000409023861 1066667915 /nfs/dbraw/zinc/66/79/15/1066667915.db2.gz LAAUSEMDDRXCIL-YJPZCCCKSA-N 0 1 609.502 3.560 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409023960 1066253295 /nfs/dbraw/zinc/25/32/95/1066253295.db2.gz OJLZNOFFJCOQPO-HJSZJZEISA-N 0 1 592.677 3.935 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000409023962 1066253202 /nfs/dbraw/zinc/25/32/02/1066253202.db2.gz OJLZNOFFJCOQPO-KMXMFRAOSA-N 0 1 592.677 3.935 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409023965 1066667883 /nfs/dbraw/zinc/66/78/83/1066667883.db2.gz OJLZNOFFJCOQPO-QNDMGUKUSA-N 0 1 592.677 3.935 40 0 KHABMN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000409023967 1066668034 /nfs/dbraw/zinc/66/80/34/1066668034.db2.gz OJLZNOFFJCOQPO-YKEIRAJFSA-N 0 1 592.677 3.935 40 0 KHABMN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409024807 1066668066 /nfs/dbraw/zinc/66/80/66/1066668066.db2.gz XDKYNYCSFMZLDP-DXPGUUQYSA-N 0 1 558.660 3.576 40 0 KHABMN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409024809 1066253925 /nfs/dbraw/zinc/25/39/25/1066253925.db2.gz XDKYNYCSFMZLDP-HAUKGQKCSA-N 0 1 558.660 3.576 40 0 KHABMN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409024812 1066667956 /nfs/dbraw/zinc/66/79/56/1066667956.db2.gz XDKYNYCSFMZLDP-NYBMMAGXSA-N 0 1 558.660 3.576 40 0 KHABMN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409024814 1066253876 /nfs/dbraw/zinc/25/38/76/1066253876.db2.gz XDKYNYCSFMZLDP-TXKRCJRJSA-N 0 1 558.660 3.576 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409029940 1066683949 /nfs/dbraw/zinc/68/39/49/1066683949.db2.gz DHLPBRYTSHBNHK-AXADVEHHSA-N 0 1 804.397 3.664 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409029941 1066683891 /nfs/dbraw/zinc/68/38/91/1066683891.db2.gz DHLPBRYTSHBNHK-XFOXHJFNSA-N 0 1 804.397 3.664 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031993 1066680721 /nfs/dbraw/zinc/68/07/21/1066680721.db2.gz IIHIYLCGTRGLPU-AXADVEHHSA-N 0 1 665.946 3.870 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409031996 1066680544 /nfs/dbraw/zinc/68/05/44/1066680544.db2.gz IIHIYLCGTRGLPU-XFOXHJFNSA-N 0 1 665.946 3.870 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032714 1066679344 /nfs/dbraw/zinc/67/93/44/1066679344.db2.gz MTOSGSCPYMECFR-AXADVEHHSA-N 0 1 710.397 3.979 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409032715 1066679397 /nfs/dbraw/zinc/67/93/97/1066679397.db2.gz MTOSGSCPYMECFR-XFOXHJFNSA-N 0 1 710.397 3.979 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034586 1066676694 /nfs/dbraw/zinc/67/66/94/1066676694.db2.gz HPBCBPCJLNLKAU-AXADVEHHSA-N 0 1 621.495 3.761 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409034589 1066676613 /nfs/dbraw/zinc/67/66/13/1066676613.db2.gz HPBCBPCJLNLKAU-XFOXHJFNSA-N 0 1 621.495 3.761 40 0 KHABMN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(O)c(I)c3)sc2=N1 ZINC000409036683 1066673577 /nfs/dbraw/zinc/67/35/77/1066673577.db2.gz LIESFDJJXJGQGW-DPWKNNTCSA-N 0 1 625.282 3.871 40 0 KHABMN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(O)c(I)c3)sc2=N1 ZINC000409036684 1066673566 /nfs/dbraw/zinc/67/35/66/1066673566.db2.gz LIESFDJJXJGQGW-XGHXRCDJSA-N 0 1 625.282 3.871 40 0 KHABMN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(O)c(I)c3)sc2=N1 ZINC000409036801 1066673601 /nfs/dbraw/zinc/67/36/01/1066673601.db2.gz BPEBSLTVUDXPRN-DPWKNNTCSA-N 0 1 672.282 3.713 40 0 KHABMN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c(O)c(I)c3)sc2=N1 ZINC000409036802 1066673654 /nfs/dbraw/zinc/67/36/54/1066673654.db2.gz BPEBSLTVUDXPRN-XGHXRCDJSA-N 0 1 672.282 3.713 40 0 KHABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1ccc(I)cc1 ZINC000409039309 1066693377 /nfs/dbraw/zinc/69/33/77/1066693377.db2.gz CKXPZDQSKXWUAM-VGOFMYFVSA-N 0 1 576.128 3.664 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040954 1066691317 /nfs/dbraw/zinc/69/13/17/1066691317.db2.gz VHIGNAPFXOHQAL-QTUJNPFGSA-N 0 1 665.946 3.870 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409040956 1066691394 /nfs/dbraw/zinc/69/13/94/1066691394.db2.gz VHIGNAPFXOHQAL-ZSOQTWPFSA-N 0 1 665.946 3.870 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042806 1066690011 /nfs/dbraw/zinc/69/00/11/1066690011.db2.gz CTRVOCMNAPPZKD-AXADVEHHSA-N 0 1 757.397 3.822 40 0 KHABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409042809 1066690080 /nfs/dbraw/zinc/69/00/80/1066690080.db2.gz CTRVOCMNAPPZKD-XFOXHJFNSA-N 0 1 757.397 3.822 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409047865 1066699368 /nfs/dbraw/zinc/69/93/68/1066699368.db2.gz NOIRZALDFOOLGY-HXVNVKTJSA-N 0 1 588.686 3.585 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409047866 1066699273 /nfs/dbraw/zinc/69/92/73/1066699273.db2.gz NOIRZALDFOOLGY-PHCZALNASA-N 0 1 588.686 3.585 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409047868 1066699310 /nfs/dbraw/zinc/69/93/10/1066699310.db2.gz NOIRZALDFOOLGY-PYODIACCSA-N 0 1 588.686 3.585 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409047872 1066699200 /nfs/dbraw/zinc/69/92/00/1066699200.db2.gz NOIRZALDFOOLGY-VXVPYHMZSA-N 0 1 588.686 3.585 40 0 KHABMN O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)N1 ZINC000409054421 1066695445 /nfs/dbraw/zinc/69/54/45/1066695445.db2.gz FYBZXDLLNPBKJV-RIYZIHGNSA-N 0 1 546.102 3.655 40 0 KHABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(I)cc1 ZINC000409057021 1066259734 /nfs/dbraw/zinc/25/97/34/1066259734.db2.gz OKBWUZQZILGLHC-VGOFMYFVSA-N 0 1 529.128 3.822 40 0 KHABMN O=C1N/C(=C/c2cc(I)c(O)c(I)c2)C(=O)N1Cc1ccccc1F ZINC000409067912 1066260414 /nfs/dbraw/zinc/26/04/14/1066260414.db2.gz DRQFILNFECITMZ-VGOFMYFVSA-N 0 1 564.092 3.833 40 0 KHABMN CCN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409072144 1066704513 /nfs/dbraw/zinc/70/45/13/1066704513.db2.gz ISLZUAYRHOWGOP-WEVVVXLNSA-N 0 1 501.083 3.658 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080475 1066262028 /nfs/dbraw/zinc/26/20/28/1066262028.db2.gz ICNKZIALWYMYCR-BUOVBRTISA-N 0 1 653.555 3.959 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080477 1066709154 /nfs/dbraw/zinc/70/91/54/1066709154.db2.gz ICNKZIALWYMYCR-FHMRHKEBSA-N 0 1 653.555 3.959 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080479 1066709212 /nfs/dbraw/zinc/70/92/12/1066709212.db2.gz ICNKZIALWYMYCR-MKDJYKQHSA-N 0 1 653.555 3.959 40 0 KHABMN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409080481 1066708997 /nfs/dbraw/zinc/70/89/97/1066708997.db2.gz ICNKZIALWYMYCR-OQVHPJHNSA-N 0 1 653.555 3.959 40 0 KHABMN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409092026 1066718369 /nfs/dbraw/zinc/71/83/69/1066718369.db2.gz SJYHVCXNGRTKTN-NITSSJHDSA-N 0 1 577.666 3.873 40 0 KHABMN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409092028 1066718281 /nfs/dbraw/zinc/71/82/81/1066718281.db2.gz SJYHVCXNGRTKTN-RQYCCHBOSA-N 0 1 577.666 3.873 40 0 KHABMN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409092031 1066718231 /nfs/dbraw/zinc/71/82/31/1066718231.db2.gz SJYHVCXNGRTKTN-SWOZZIHNSA-N 0 1 577.666 3.873 40 0 KHABMN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[nH]n(-c5ccccc5)c4=O)c(=O)n32)cc1 ZINC000409092033 1066718465 /nfs/dbraw/zinc/71/84/65/1066718465.db2.gz SJYHVCXNGRTKTN-UVUVBMQPSA-N 0 1 577.666 3.873 40 0 KHABMN O=C1N/C(=C/c2cc(Br)c(O)c(I)c2)C(=O)N1Cc1ccccc1F ZINC000409098425 1066264024 /nfs/dbraw/zinc/26/40/24/1066264024.db2.gz QGHDGJCBHNEGJJ-VGOFMYFVSA-N 0 1 517.092 3.991 40 0 KHABMN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c(O)c(I)c3)C2=O)c1 ZINC000409105289 1066725866 /nfs/dbraw/zinc/72/58/66/1066725866.db2.gz MIHVSNTVCDTZPM-OVCLIPMQSA-N 0 1 556.154 3.599 40 0 KHABMN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(O)c(I)c2)C1=O ZINC000409106003 1066327630 /nfs/dbraw/zinc/32/76/30/1066327630.db2.gz KJLMXWJXSVRUQL-VZUCSPMQSA-N 0 1 526.146 3.747 40 0 KHABMN O=C1N/C(=C/c2cc(I)c(O)c(I)c2)C(=O)N1Cc1ccccc1 ZINC000409194889 1066271575 /nfs/dbraw/zinc/27/15/75/1066271575.db2.gz DWKDCSPQDJTGIA-RIYZIHGNSA-N 0 1 546.102 3.694 40 0 KHABMN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409197072 1066327447 /nfs/dbraw/zinc/32/74/47/1066327447.db2.gz VGHQHGJFXFRYIS-KPKJPENVSA-N 0 1 587.173 3.981 40 0 KHABMN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409197539 1066766439 /nfs/dbraw/zinc/76/64/39/1066766439.db2.gz IFFQNXJSZJMLPL-OPYOOOJUSA-N 0 1 587.173 3.979 40 0 KHABMN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409197540 1066766425 /nfs/dbraw/zinc/76/64/25/1066766425.db2.gz IFFQNXJSZJMLPL-UGZWPXFQSA-N 0 1 587.173 3.979 40 0 KHABMN O=C(CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O)N1CCN(c2ccccc2)CC1 ZINC000409199179 1066327380 /nfs/dbraw/zinc/32/73/80/1066327380.db2.gz HJWNAXZJOAROHF-LDADJPATSA-N 0 1 675.286 3.987 40 0 KHABMN CC(C)COC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409205983 1066196220 /nfs/dbraw/zinc/19/62/20/1066196220.db2.gz GKTGQWRDUKAJGU-LFYBBSHMSA-N 0 1 587.173 3.837 40 0 KHABMN O=C(CN1C(=O)N/C(=C/c2cc(Br)cc(Br)c2O)C1=O)Nc1ccccc1F ZINC000409210945 1066768409 /nfs/dbraw/zinc/76/84/09/1066768409.db2.gz LTRSMZVWHAYENR-MKMNVTDBSA-N 0 1 513.117 3.588 40 0 KHABMN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(O)c(I)c2)C1=O ZINC000409229256 1066770580 /nfs/dbraw/zinc/77/05/80/1066770580.db2.gz MDJQSJVILRTXAZ-CXUHLZMHSA-N 0 1 570.181 3.853 40 0 KHABMN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409230474 1066772545 /nfs/dbraw/zinc/77/25/45/1066772545.db2.gz YRKITBWACISWSQ-CXUHLZMHSA-N 0 1 617.181 3.695 40 0 KHABMN COCCCN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O ZINC000409249744 1066775086 /nfs/dbraw/zinc/77/50/86/1066775086.db2.gz LFHNDNUXEGPZBT-YRNVUSSQSA-N 0 1 545.136 3.674 40 0 KHABMN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cc(I)c(O)c(I)c3)C2=O)CC1 ZINC000409258136 1066780732 /nfs/dbraw/zinc/78/07/32/1066780732.db2.gz WQKGYKLCAYKHBJ-RIYZIHGNSA-N 0 1 612.227 3.896 40 0 KHABMN COc1ccc(Br)cc1N1C(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O ZINC000409292109 1066787926 /nfs/dbraw/zinc/78/79/26/1066787926.db2.gz ZQOQZLQVMSTLRT-NHCUHLMSSA-N 0 1 524.323 3.782 40 0 KHABMN COc1ccc(Br)cc1N1C(=O)C(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O ZINC000409292109 1066787920 /nfs/dbraw/zinc/78/79/20/1066787920.db2.gz ZQOQZLQVMSTLRT-NHCUHLMSSA-N 0 1 524.323 3.782 40 0 KHABMN COc1ccc(Br)cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O ZINC000409292113 1066787997 /nfs/dbraw/zinc/78/79/97/1066787997.db2.gz ZQOQZLQVMSTLRT-SFTDATJTSA-N 0 1 524.323 3.782 40 0 KHABMN COc1ccc(Br)cc1N1C(=O)C(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O ZINC000409292113 1066787991 /nfs/dbraw/zinc/78/79/91/1066787991.db2.gz ZQOQZLQVMSTLRT-SFTDATJTSA-N 0 1 524.323 3.782 40 0 KHABMN O=C(O[C@@H]1C(=O)N(c2cccc(I)c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409294937 1066789486 /nfs/dbraw/zinc/78/94/86/1066789486.db2.gz CKNXOIOYUGTEOK-PMACEKPBSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(OC1C(=O)N(c2cccc(I)c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409294937 1066789480 /nfs/dbraw/zinc/78/94/80/1066789480.db2.gz CKNXOIOYUGTEOK-PMACEKPBSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(O[C@H]1C(=O)N(c2cccc(I)c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409294938 1066789352 /nfs/dbraw/zinc/78/93/52/1066789352.db2.gz CKNXOIOYUGTEOK-WOJBJXKFSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(OC1C(=O)N(c2cccc(I)c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409294938 1066789341 /nfs/dbraw/zinc/78/93/41/1066789341.db2.gz CKNXOIOYUGTEOK-WOJBJXKFSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(O[C@@H]1C(=O)N(c2ccc(I)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409298368 1066278811 /nfs/dbraw/zinc/27/88/11/1066278811.db2.gz ZFNDSJDNXTVIJA-PMACEKPBSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(OC1C(=O)N(c2ccc(I)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409298368 1066278802 /nfs/dbraw/zinc/27/88/02/1066278802.db2.gz ZFNDSJDNXTVIJA-PMACEKPBSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(O[C@H]1C(=O)N(c2ccc(I)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409298369 1066791407 /nfs/dbraw/zinc/79/14/07/1066791407.db2.gz ZFNDSJDNXTVIJA-WOJBJXKFSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(OC1C(=O)N(c2ccc(I)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409298369 1066791398 /nfs/dbraw/zinc/79/13/98/1066791398.db2.gz ZFNDSJDNXTVIJA-WOJBJXKFSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(O[C@@H]1C(=O)N(c2ccccc2I)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409300663 1066790857 /nfs/dbraw/zinc/79/08/57/1066790857.db2.gz XZJQCESPWTZPAN-PMACEKPBSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(OC1C(=O)N(c2ccccc2I)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409300663 1066790845 /nfs/dbraw/zinc/79/08/45/1066790845.db2.gz XZJQCESPWTZPAN-PMACEKPBSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(O[C@H]1C(=O)N(c2ccccc2I)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409300664 1066279631 /nfs/dbraw/zinc/27/96/31/1066279631.db2.gz XZJQCESPWTZPAN-WOJBJXKFSA-N 0 1 541.297 3.616 40 0 KHABMN O=C(OC1C(=O)N(c2ccccc2I)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409300664 1066279620 /nfs/dbraw/zinc/27/96/20/1066279620.db2.gz XZJQCESPWTZPAN-WOJBJXKFSA-N 0 1 541.297 3.616 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000409329805 1066796728 /nfs/dbraw/zinc/79/67/28/1066796728.db2.gz GTEGIHIXPDXRTE-UHFFFAOYSA-N 0 1 580.084 3.731 40 0 KHABMN COCCCNC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCc1ccccc1 ZINC000409334801 1066795420 /nfs/dbraw/zinc/79/54/20/1066795420.db2.gz IUQOZCFXKXGHST-GOSISDBHSA-N 0 1 638.240 3.592 40 0 KHABMN COCCCNC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCc1ccccc1 ZINC000409334808 1066795363 /nfs/dbraw/zinc/79/53/63/1066795363.db2.gz IUQOZCFXKXGHST-SFHVURJKSA-N 0 1 638.240 3.592 40 0 KHABMN CC[C@H](C)NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C ZINC000409336313 1066794822 /nfs/dbraw/zinc/79/48/22/1066794822.db2.gz NKBQGPDNPLOWQE-HZMBPMFUSA-N 0 1 588.224 3.952 40 0 KHABMN CC[C@H](C)NC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C ZINC000409336315 1066794740 /nfs/dbraw/zinc/79/47/40/1066794740.db2.gz NKBQGPDNPLOWQE-IINYFYTJSA-N 0 1 588.224 3.952 40 0 KHABMN CC[C@@H](C)NC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C ZINC000409336317 1066794910 /nfs/dbraw/zinc/79/49/10/1066794910.db2.gz NKBQGPDNPLOWQE-QMTHXVAHSA-N 0 1 588.224 3.952 40 0 KHABMN CC[C@@H](C)NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OC(C)(C)C ZINC000409336319 1066794802 /nfs/dbraw/zinc/79/48/02/1066794802.db2.gz NKBQGPDNPLOWQE-YGRLFVJLSA-N 0 1 588.224 3.952 40 0 KHABMN O=C(CN1C(=O)S/C(=C\c2cc(Br)c(O)c(I)c2)C1=O)N1CCCCC1 ZINC000409386975 1066327840 /nfs/dbraw/zinc/32/78/40/1066327840.db2.gz PIARXPXBIIOAQY-JYRVWZFOSA-N 0 1 551.200 3.808 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000409406207 1066830615 /nfs/dbraw/zinc/83/06/15/1066830615.db2.gz ATURHZIMIFCPTD-UHFFFAOYSA-N 0 1 572.036 3.702 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000409407418 1066838172 /nfs/dbraw/zinc/83/81/72/1066838172.db2.gz FTHCMMXEHHMGCK-IBGZPJMESA-N 0 1 531.656 3.906 40 0 KHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000409407420 1066838155 /nfs/dbraw/zinc/83/81/55/1066838155.db2.gz FTHCMMXEHHMGCK-LJQANCHMSA-N 0 1 531.656 3.906 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(I)c3)cc2)c1 ZINC000409407841 1066837750 /nfs/dbraw/zinc/83/77/50/1066837750.db2.gz AHNGWEXPNMHEFR-UHFFFAOYSA-N 0 1 604.444 3.919 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000409408242 1066837732 /nfs/dbraw/zinc/83/77/32/1066837732.db2.gz JPNRFSHLOXEPJR-UHFFFAOYSA-N 0 1 572.036 3.702 40 0 KHABMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000409409300 1066836268 /nfs/dbraw/zinc/83/62/68/1066836268.db2.gz HBCAMNXFNROOMX-UHFFFAOYSA-N 0 1 514.003 3.828 40 0 KHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c1 ZINC000409409652 1066836318 /nfs/dbraw/zinc/83/63/18/1066836318.db2.gz PSSISXZWYMPLNW-UHFFFAOYSA-N 0 1 550.058 3.722 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000409409653 1066836281 /nfs/dbraw/zinc/83/62/81/1066836281.db2.gz PSSVJQQQJGYLQO-IBGZPJMESA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000409409654 1066836253 /nfs/dbraw/zinc/83/62/53/1066836253.db2.gz PSSVJQQQJGYLQO-LJQANCHMSA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)c1 ZINC000409409884 1066835757 /nfs/dbraw/zinc/83/57/57/1066835757.db2.gz JUOUZPKLGMVTHR-GOSISDBHSA-N 0 1 547.655 3.606 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)c1 ZINC000409409886 1066835782 /nfs/dbraw/zinc/83/57/82/1066835782.db2.gz JUOUZPKLGMVTHR-SFHVURJKSA-N 0 1 547.655 3.606 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000409409892 1066835792 /nfs/dbraw/zinc/83/57/92/1066835792.db2.gz RTRJUHJGZOBBIB-IBGZPJMESA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000409409893 1066835680 /nfs/dbraw/zinc/83/56/80/1066835680.db2.gz RTRJUHJGZOBBIB-LJQANCHMSA-N 0 1 561.682 3.915 40 0 KHABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl ZINC000409410962 1066835148 /nfs/dbraw/zinc/83/51/48/1066835148.db2.gz BKONJKDQZGDYNI-UHFFFAOYSA-N 0 1 550.058 3.722 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000409411648 1066834683 /nfs/dbraw/zinc/83/46/83/1066834683.db2.gz YNEODFSXUGUCKX-IBGZPJMESA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000409411649 1066287738 /nfs/dbraw/zinc/28/77/38/1066287738.db2.gz YNEODFSXUGUCKX-LJQANCHMSA-N 0 1 561.682 3.915 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000409411885 1066834673 /nfs/dbraw/zinc/83/46/73/1066834673.db2.gz MWFUCGXHUAQERE-GOSISDBHSA-N 0 1 547.655 3.606 40 0 KHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000409411886 1066288068 /nfs/dbraw/zinc/28/80/68/1066288068.db2.gz MWFUCGXHUAQERE-SFHVURJKSA-N 0 1 547.655 3.606 40 0 KHABMN O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C1CCCC1)CC2=O)NCc1ccccn1 ZINC000514287329 1066530762 /nfs/dbraw/zinc/53/07/62/1066530762.db2.gz HMFGPFXYJFQKNC-JZODFCAHSA-N 0 1 502.659 3.946 40 0 KHABMN O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(CC1CCCCC1)C2 ZINC000514287446 1066531089 /nfs/dbraw/zinc/53/10/89/1066531089.db2.gz CPLYKFCCAQFZFV-MBFGAFETSA-N 0 1 553.744 3.904 40 0 KHABMN O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)N(C1CCC(F)(F)CC1)C2 ZINC000514287450 1066531357 /nfs/dbraw/zinc/53/13/57/1066531357.db2.gz CSXHMQDFDRZPKU-QIXRUXETSA-N 0 1 575.697 3.902 40 0 KHABMN O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(CC1CCCCC1)C2 ZINC000514287570 1066531206 /nfs/dbraw/zinc/53/12/06/1066531206.db2.gz MRRLINDXIXCFCH-NZFNEECCSA-N 0 1 561.723 3.914 40 0 KHABMN O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(C1Cc3ccccc3C1)C2 ZINC000514287598 1066531332 /nfs/dbraw/zinc/53/13/32/1066531332.db2.gz PJXRIRMADKOTKM-DEZLLGJGSA-N 0 1 581.713 3.501 40 0 KHABMN O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)N(C1CCC(F)(F)CC1)C2 ZINC000514287630 1066531305 /nfs/dbraw/zinc/53/13/05/1066531305.db2.gz RWDKBYMGROZXHT-USJHEHEUSA-N 0 1 583.676 3.911 40 0 KHABMN [NH3+][C@@H](CO)Cc1ccc(Oc2cc(I)c([O-])c(I)c2)c(I)c1 ZINC000521825352 1066866642 /nfs/dbraw/zinc/86/66/42/1066866642.db2.gz UMDGDHTYBVMTSS-SECBINFHSA-N 0 1 636.993 3.860 40 0 KHABMN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)NCCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000524730254 1066491347 /nfs/dbraw/zinc/49/13/47/1066491347.db2.gz BITKQPNZDUODJP-XUZZJYLKSA-N 0 1 539.632 3.798 40 0 KHABMN CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCCN4CC[C@@H](O)CO)CC3)n2)s1 ZINC000585263630 1066298651 /nfs/dbraw/zinc/29/86/51/1066298651.db2.gz WWERSTJYUIAMOF-OFNKIYASSA-N 0 1 501.697 3.538 40 0 KHABMN CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCCN4CC[C@H](O)CO)CC3)n2)s1 ZINC000585263631 1066298498 /nfs/dbraw/zinc/29/84/98/1066298498.db2.gz WWERSTJYUIAMOF-REWPJTCUSA-N 0 1 501.697 3.538 40 0 KHABMN CC(C)c1nc2cc(C(=O)N[C@@H]3C[C@@H](Oc4ccccc4)[C@H](O)[C@H]3N(C)CCc3ccccn3)ccc2[nH]1 ZINC000585267186 1066299909 /nfs/dbraw/zinc/29/99/09/1066299909.db2.gz GONFYYAOVYWIBN-VIJSPRBVSA-N 0 1 513.642 3.935 40 0 KHABMN COc1cc(CN(CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCCN1CCOCC1 ZINC000585270760 1066299705 /nfs/dbraw/zinc/29/97/05/1066299705.db2.gz BBEPATHKDXPSOU-RUZDIDTESA-N 0 1 565.736 3.864 40 0 KHABMN COc1cc(CN(CCO)C[C@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCCN1CCOCC1 ZINC000585270765 1066300152 /nfs/dbraw/zinc/30/01/52/1066300152.db2.gz BBEPATHKDXPSOU-VWLOTQADSA-N 0 1 565.736 3.864 40 0 KHABMN Cn1c2ccccc2n(CCOc2ccc(CN3CCOC[C@@](O)(COc4ccc(Cl)cc4)C3)cc2)c1=O ZINC000585272405 1066302513 /nfs/dbraw/zinc/30/25/13/1066302513.db2.gz IOUKZNGSZKUSCN-GDLZYMKVSA-N 0 1 538.044 3.715 40 0 KHABMN Cn1c2ccccc2n(CCOc2ccc(CN3CCOC[C@](O)(COc4ccc(Cl)cc4)C3)cc2)c1=O ZINC000585272408 1066303177 /nfs/dbraw/zinc/30/31/77/1066303177.db2.gz IOUKZNGSZKUSCN-LJAQVGFWSA-N 0 1 538.044 3.715 40 0 KHABMN O=C1CCCCN1CCCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585278897 1066307238 /nfs/dbraw/zinc/30/72/38/1066307238.db2.gz AWIJLMCJUNEYDC-HHHXNRCGSA-N 0 1 503.039 3.764 40 0 KHABMN O=C1CCCCN1CCCOc1ccc(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585278900 1066307008 /nfs/dbraw/zinc/30/70/08/1066307008.db2.gz AWIJLMCJUNEYDC-MHZLTWQESA-N 0 1 503.039 3.764 40 0 KHABMN Cc1ccc(=O)n(CCCOc2ccc(CN3CCOC[C@@](O)(COc4ccc(Cl)cc4)C3)cc2)c1 ZINC000585278916 1066306732 /nfs/dbraw/zinc/30/67/32/1066306732.db2.gz AXGKIHSCWIPQAW-MUUNZHRXSA-N 0 1 513.034 3.922 40 0 KHABMN Cc1ccc(=O)n(CCCOc2ccc(CN3CCOC[C@](O)(COc4ccc(Cl)cc4)C3)cc2)c1 ZINC000585278922 1066307332 /nfs/dbraw/zinc/30/73/32/1066307332.db2.gz AXGKIHSCWIPQAW-NDEPHWFRSA-N 0 1 513.034 3.922 40 0 KHABMN Cc1cnn(CCOc2cccc(CN3CC[C@H](O)[C@@](O)(COc4cc(C)c(Cl)c(C)c4)C3)c2)c1 ZINC000585280870 1066306504 /nfs/dbraw/zinc/30/65/04/1066306504.db2.gz AZNOLADRNCYUIA-BDYUSTAISA-N 0 1 500.039 3.917 40 0 KHABMN Cc1cc(C)n(CCOc2cccc(CN3CC[C@H](O)[C@@](O)(COc4cc(C)ccc4Cl)C3)c2)n1 ZINC000585281168 1066312539 /nfs/dbraw/zinc/31/25/39/1066312539.db2.gz FRWDYDWKNNRKPQ-SVBPBHIXSA-N 0 1 500.039 3.917 40 0 KHABMN Cc1cnn(CCCOc2cccc(CN3CC[C@H](O)[C@@](O)(COc4cc(C)ccc4Cl)C3)c2)c1 ZINC000585281484 1066311931 /nfs/dbraw/zinc/31/19/31/1066311931.db2.gz JSOFMQVUOVOFJO-SVBPBHIXSA-N 0 1 500.039 3.999 40 0 KHABMN Cc1ccc(Cl)c(OC[C@@]2(O)CN(Cc3ccc(OCCn4c5ccccc5n(C)c4=O)cc3)CC[C@@H]2O)c1 ZINC000585281667 1066309797 /nfs/dbraw/zinc/30/97/97/1066309797.db2.gz OKFHITRBXQPXNW-JDXGNMNLSA-N 0 1 552.071 3.758 40 0 KHABMN O=C1CCCCCN1CCCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585281685 1066309150 /nfs/dbraw/zinc/30/91/50/1066309150.db2.gz PAYCNTAISNWOSS-XCZPVHLTSA-N 0 1 517.066 3.888 40 0 KHABMN O=C1CCCCCN1CCCOc1cccc(CN2CC[C@H](O)[C@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585281686 1066308776 /nfs/dbraw/zinc/30/87/76/1066308776.db2.gz PAYCNTAISNWOSS-XTEPFMGCSA-N 0 1 517.066 3.888 40 0 KHABMN O=C1CCCCCN1CCCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585281697 1066309616 /nfs/dbraw/zinc/30/96/16/1066309616.db2.gz PFJJSQIJLDAXNQ-XCZPVHLTSA-N 0 1 517.066 3.888 40 0 KHABMN Cc1cc(OC[C@@]2(O)CN(Cc3cccc(OCCCn4cccn4)c3)CC[C@@H]2O)cc(C)c1Cl ZINC000585281770 1066309411 /nfs/dbraw/zinc/30/94/11/1066309411.db2.gz REROTRVOJURQOS-BDYUSTAISA-N 0 1 500.039 3.999 40 0 KHABMN Cc1cc(OC[C@@]2(O)CN(Cc3cccc(OCCCN4CCCC4=O)c3)CC[C@@H]2O)cc(C)c1Cl ZINC000585282499 1066313980 /nfs/dbraw/zinc/31/39/80/1066313980.db2.gz LDYLCQCPDRCSJC-LSYYVWMOSA-N 0 1 517.066 3.725 40 0 KHABMN CC(=O)NC1CCN(C(=O)C[C@]2(COc3cc(C)c(Cl)c(C)c3)CN(CCC(C)C)CCO2)CC1 ZINC000585283914 1066314201 /nfs/dbraw/zinc/31/42/01/1066314201.db2.gz ISCSCKXZKNKTRH-HHHXNRCGSA-N 0 1 508.103 3.970 40 0 KHABMN CC(=O)NC1CCN(C(=O)C[C@@]2(COc3cc(C)c(Cl)c(C)c3)CN(CCC(C)C)CCO2)CC1 ZINC000585283916 1066313478 /nfs/dbraw/zinc/31/34/78/1066313478.db2.gz ISCSCKXZKNKTRH-MHZLTWQESA-N 0 1 508.103 3.970 40 0 KHABMN Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)cc(C)c1Cl ZINC000585285151 1066316497 /nfs/dbraw/zinc/31/64/97/1066316497.db2.gz CQKLQDJBDPKVGG-MUUNZHRXSA-N 0 1 540.064 3.903 40 0 KHABMN Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)cc(C)c1Cl ZINC000585285165 1066315970 /nfs/dbraw/zinc/31/59/70/1066315970.db2.gz CQKLQDJBDPKVGG-NDEPHWFRSA-N 0 1 540.064 3.903 40 0 KHABMN Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CN3CCCCC3)C2)cc(C)c1Cl ZINC000585285206 1066317497 /nfs/dbraw/zinc/31/74/97/1066317497.db2.gz CTDDOWOHIMQWQJ-MUUNZHRXSA-N 0 1 520.114 3.804 40 0 KHABMN Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)CCCN(C(=O)CN3CCCCC3)C2)cc(C)c1Cl ZINC000585285215 1066317659 /nfs/dbraw/zinc/31/76/59/1066317659.db2.gz CTDDOWOHIMQWQJ-NDEPHWFRSA-N 0 1 520.114 3.804 40 0 KHABMN Cc1cnn(CCCOc2cccc(CN3CC[C@H](O)[C@@](O)(COc4ccc(Cl)c(F)c4)C3)c2)c1 ZINC000585286690 1066317623 /nfs/dbraw/zinc/31/76/23/1066317623.db2.gz HSTATTYFGOIPOU-UIOOFZCWSA-N 0 1 504.002 3.830 40 0 KHABMN Cc1cc(C)n(CCOc2cccc(CN3CC[C@H](O)[C@@](O)(COc4ccc(Cl)c(F)c4)C3)c2)n1 ZINC000585287273 1066315252 /nfs/dbraw/zinc/31/52/52/1066315252.db2.gz LUZOYYFLHXJDQL-UIOOFZCWSA-N 0 1 504.002 3.748 40 0 KHABMN Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)ccc1Cl ZINC000585287401 1066491720 /nfs/dbraw/zinc/49/17/20/1066491720.db2.gz VWBLIWCIKHLNOX-AREMUKBSSA-N 0 1 512.010 3.613 40 0 KHABMN Cc1cc(OC[C@]2(CC(=O)N3CCCCC3)CN(C(=O)c3ccc4[nH]nnc4c3)CCO2)ccc1Cl ZINC000585287402 1066315206 /nfs/dbraw/zinc/31/52/06/1066315206.db2.gz VWBLIWCIKHLNOX-SANMLTNESA-N 0 1 512.010 3.613 40 0 KHABMN Cc1cc(C(=O)N2CCC[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)n[nH]1 ZINC000585288255 1066317361 /nfs/dbraw/zinc/31/73/61/1066317361.db2.gz ZMGTVQHQGPVSKB-AREMUKBSSA-N 0 1 503.043 3.663 40 0 KHABMN Cc1cc(C(=O)N2CCC[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)n[nH]1 ZINC000585288259 1066317028 /nfs/dbraw/zinc/31/70/28/1066317028.db2.gz ZMGTVQHQGPVSKB-SANMLTNESA-N 0 1 503.043 3.663 40 0 KHABMN CCOc1cc(CN2CCC(Nc3ncnc4sc5c(c43)CC(C)(C)OC5)CC2)ccc1OCC(N)=O ZINC000585291671 1066318502 /nfs/dbraw/zinc/31/85/02/1066318502.db2.gz BABVNZACTXKOKO-UHFFFAOYSA-N 0 1 525.675 3.882 40 0 KHABMN COCCOc1ccc(CN2CCC(Nc3ncnc4sc(C(=O)N5CCCC5)c(C)c43)CC2)cc1OC ZINC000585293480 1066317939 /nfs/dbraw/zinc/31/79/39/1066317939.db2.gz IBPVGVBTSTXLHY-UHFFFAOYSA-N 0 1 539.702 3.768 40 0 KHABMN CCOc1cc(CN2CCC(Nc3ncnc4sc(C(=O)N5CCCC5)c(C)c43)CC2)ccc1OCCO ZINC000585294454 1066318399 /nfs/dbraw/zinc/31/83/99/1066318399.db2.gz RPWRWDSMOQCMCZ-UHFFFAOYSA-N 0 1 539.702 3.504 40 0 KHABMN O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C1CCCC1)CC2=O)NCc1ccccn1 ZINC000958317717 1066841202 /nfs/dbraw/zinc/84/12/02/1066841202.db2.gz HMFGPFXYJFQKNC-ZEQRLZLVSA-N 0 1 502.659 3.946 40 0 KHABMN COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3CN(Cc4cncnc4)CC[C@H]3CC2=O)cc1 ZINC001534612524 1066873500 /nfs/dbraw/zinc/87/35/00/1066873500.db2.gz IBBRKCRAIHUIFS-NSVAZKTRSA-N 0 1 524.706 3.582 40 0 KHABMN COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3CN(Cc4c[nH]cn4)CC[C@H]3CC2=O)cc1 ZINC001534612828 1066873469 /nfs/dbraw/zinc/87/34/69/1066873469.db2.gz LZUCOVPJFHQQRI-DPZBCOQUSA-N 0 1 512.695 3.515 40 0 KHABMN COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4cccc(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548888785 1066877186 /nfs/dbraw/zinc/87/71/86/1066877186.db2.gz APEHTKWFWMTUOQ-IAPPQJPRSA-N 0 1 609.720 3.559 40 0 KHABMN O=C1NC2(CCN(Cc3ccccc3F)CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889067 1066877152 /nfs/dbraw/zinc/87/71/52/1066877152.db2.gz FYGXREGSFRIGBO-VPUSJEBWSA-N 0 1 579.694 3.550 40 0 KHABMN CC(C)c1ccc2c(c1)OCCC1(CCN(Cc3ccccc3Cl)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O ZINC001548889603 1066877079 /nfs/dbraw/zinc/87/70/79/1066877079.db2.gz IBKPDDFVZQOROG-VWNXMTODSA-N 0 1 562.132 3.521 40 0 KHABMN O=C1NC2(CCN(Cc3cccc(F)c3)CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889933 1066877108 /nfs/dbraw/zinc/87/71/08/1066877108.db2.gz MHEHPCITIPXWAR-SXOMAYOGSA-N 0 1 579.694 3.550 40 0 KHABMN O=C1NC2(CCN(Cc3cccc(F)c3)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890242 1066877097 /nfs/dbraw/zinc/87/70/97/1066877097.db2.gz NNONZYNBEPQCGA-SQHAQQRYSA-N 0 1 615.674 3.828 40 0 KHABMN COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccccc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548891122 1066877542 /nfs/dbraw/zinc/87/75/42/1066877542.db2.gz XOQMVTCNOYENJF-NAKRPHOHSA-N 0 1 609.720 3.559 40 0 KHABMN O=C1NC2(CCN(Cc3ccccc3F)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548891320 1066877695 /nfs/dbraw/zinc/87/76/95/1066877695.db2.gz ZNZWGGXTEFWDHY-KCWPFWIISA-N 0 1 615.674 3.828 40 0 KHABMN COc1c(Nc2ncc(Cl)c(NC3=C(C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2 ZINC001560406232 1066878480 /nfs/dbraw/zinc/87/84/80/1066878480.db2.gz OFZNOQIMCHTPOI-QYZOEREBSA-N 0 1 537.064 3.819 40 0 KHABMN