smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1CC[C@H](O)c2c(=O)c3c(oc21)c(O)c1c2c3OCO[C@@H]2Cc2cc3cc(C)n(N)c(=O)c3c(O)c2-1 ZINC000002007947 560185448 /nfs/dbraw/zinc/18/54/48/560185448.db2.gz LYKFTVCDYGGLGW-MELADBBJSA-N 0 2 520.494 2.687 1 0 in-vitro KFAFLN Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1 ZINC000003838287 561683740 /nfs/dbraw/zinc/68/37/40/561683740.db2.gz FOWJIKMBXHGMKS-UHFFFAOYSA-N 0 2 577.642 2.917 1 0 KFAFLN Cn1cc(S(=O)(=O)Nc2ccc(Cc3nc4c([nH]3)n(CC3CC3)c(=O)n(Cc3ccccc3F)c4=O)cc2)cn1 ZINC000003838292 561683743 /nfs/dbraw/zinc/68/37/43/561683743.db2.gz VCKLIWXLPHUGCX-UHFFFAOYSA-N 0 2 563.615 2.609 1 0 KFAFLN CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn6c5c4OC[C@H]6C)CC3)c(F)c2)C(=O)O1 ZINC000003980023 561692419 /nfs/dbraw/zinc/69/24/19/561692419.db2.gz SKQNBBKLALGGCZ-QAPCUYQASA-N 0 2 597.575 2.719 1 0 KFAFLN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F ZINC000005729402 561697788 /nfs/dbraw/zinc/69/77/88/561697788.db2.gz JOUSFQISCOTOSZ-JOCHJYFZSA-N 0 2 553.519 2.950 1 0 KFAFLN CCOC(=O)[C@](NC(=O)CC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F ZINC000005742231 561698174 /nfs/dbraw/zinc/69/81/74/561698174.db2.gz LPMATLYZOMJOIQ-DEOSSOPVSA-N 0 2 556.513 2.644 1 0 KFAFLN CCOC(=O)N[C@](C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F ZINC000005742240 561698195 /nfs/dbraw/zinc/69/81/95/561698195.db2.gz WXDALWZZLSGIPW-HSZRJFAPSA-N 0 2 560.501 2.549 1 0 KFAFLN COC(=O)C1=C(OC(=O)/C(=C/c2ccccc2)c2ccccc2)[C@@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC ZINC000005924684 561700352 /nfs/dbraw/zinc/70/03/52/561700352.db2.gz MIRJVXJQLKULGY-UXBCJGDXSA-N 0 2 606.624 2.966 1 0 KFAFLN COC(=O)C1=C(OC(=O)/C(=C/c2ccccc2)c2ccccc2)[C@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC ZINC000005924686 561700358 /nfs/dbraw/zinc/70/03/58/561700358.db2.gz MIRJVXJQLKULGY-UKEABTIZSA-N 0 2 606.624 2.966 1 0 KFAFLN CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn6c5c4OC[C@@H]6C)CC3)c(F)c2)C(=O)O1 ZINC000009133501 561708932 /nfs/dbraw/zinc/70/89/32/561708932.db2.gz SKQNBBKLALGGCZ-YJBOKZPZSA-N 0 2 597.575 2.719 1 0 KFAFLN O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(-c2n[nH]c(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1 ZINC000013474187 561714466 /nfs/dbraw/zinc/71/44/66/561714466.db2.gz NMEBHVJGDHILBV-DYESRHJHSA-N 0 2 517.494 2.920 1 0 KFAFLN Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(CNc2cccc[nH+]2)CC1 ZINC000013486982 561714995 /nfs/dbraw/zinc/71/49/95/561714995.db2.gz ZNFLNPHHAFFHFM-QFIPXVFZSA-N 0 2 520.590 2.655 1 0 KFAFLN O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4CCCCC4)c3)c(Cl)c2)c(=O)[nH]1 ZINC000013487250 561715161 /nfs/dbraw/zinc/71/51/61/561715161.db2.gz PPCQNFDLMDWTFL-UHFFFAOYSA-N 0 2 513.359 2.900 1 0 KFAFLN O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c([nH+]2)NCCC3)ccc1C1CC1)c1cccnc1 ZINC000013489941 561716013 /nfs/dbraw/zinc/71/60/13/561716013.db2.gz NOWXQWGDOHATCX-QFIPXVFZSA-N 0 2 502.575 2.818 1 0 KFAFLN CCCc1ccc(NCc2ccc3c([nH+]2)NCCC3)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])c1cccnc1 ZINC000013489942 561715951 /nfs/dbraw/zinc/71/59/51/561715951.db2.gz SBROZGGPOIEKJM-QHCPKHFHSA-N 0 2 504.591 2.893 1 0 KFAFLN CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OC(C)C ZINC000013558414 561719154 /nfs/dbraw/zinc/71/91/54/561719154.db2.gz KCTOASLYFOTKBA-UHFFFAOYSA-N 0 2 500.042 2.891 1 0 KFAFLN CCCOc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1S(=O)(=O)NC(=S)NC ZINC000013558415 561719224 /nfs/dbraw/zinc/71/92/24/561719224.db2.gz NKKBPZPBNCBZKU-UHFFFAOYSA-N 0 2 500.042 2.893 1 0 KFAFLN CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)c(C)c(C)c1OC ZINC000013558437 561719336 /nfs/dbraw/zinc/71/93/36/561719336.db2.gz SIWIQXAYXRPEQL-UHFFFAOYSA-N 0 2 500.042 2.729 1 0 KFAFLN O=C([O-])C[C@H](NC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)C(=O)NCCc1ccccc1 ZINC000013803649 561731143 /nfs/dbraw/zinc/73/11/43/561731143.db2.gz LCPHCIZOQGOMSN-QHCPKHFHSA-N 0 2 514.586 2.866 1 0 KFAFLN O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)NC(=O)Nc1ccccc1 ZINC000013803655 561731179 /nfs/dbraw/zinc/73/11/79/561731179.db2.gz UKWQPMATRRYDJU-NRFANRHFSA-N 0 2 501.547 2.938 1 0 KFAFLN O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)NC(=O)NCc1ccccc1 ZINC000013803657 561731148 /nfs/dbraw/zinc/73/11/48/561731148.db2.gz BRJYARSFLQGTHC-QFIPXVFZSA-N 0 2 515.574 2.616 1 0 KFAFLN O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)NC(=O)CCc1ccccc1 ZINC000013803659 561731171 /nfs/dbraw/zinc/73/11/71/561731171.db2.gz XLOKAZDDMNDPRF-QHCPKHFHSA-N 0 2 514.586 2.866 1 0 KFAFLN O=C([O-])c1ccc2ccccc2c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944134 561742093 /nfs/dbraw/zinc/74/20/93/561742093.db2.gz CTBULQFIIOEIHV-ZJSXRUAMSA-N 0 2 556.527 2.813 1 0 KFAFLN COc1ccc(-c2oc3c(CCC(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000014958362 291765681 /nfs/dbraw/zinc/76/56/81/291765681.db2.gz PFVZUXQCELCLBL-LVKFHIPRSA-N 0 2 516.543 2.675 1 0 biogenic,in-vitro KFAFLN COc1cnn(CC[NH+]2CCOCC2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000014962223 561748739 /nfs/dbraw/zinc/74/87/39/561748739.db2.gz LARLBZSTMWGXMK-NRFANRHFSA-N 0 2 575.449 2.984 1 0 KFAFLN Cn1ncc(OCC[NH+]2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000014962232 561748693 /nfs/dbraw/zinc/74/86/93/561748693.db2.gz FUCBSFYEWUNIOP-NRFANRHFSA-N 0 2 575.449 2.891 1 0 KFAFLN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC(=O)NCC[NH+]2CCOCC2)ccc2c1CCCC2 ZINC000014964709 561749417 /nfs/dbraw/zinc/74/94/17/561749417.db2.gz VCEPPNSBQSPVQM-UHFFFAOYSA-N 0 2 502.593 2.518 1 0 KFAFLN O=C([O-])c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCC[NH+]2CCOCC2)ccc2c1CCCC2 ZINC000014964713 561749440 /nfs/dbraw/zinc/74/94/40/561749440.db2.gz IVSHHGXLATWYOM-UHFFFAOYSA-N 0 2 516.620 2.908 1 0 KFAFLN COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COc2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cc1 ZINC000014966580 561750020 /nfs/dbraw/zinc/75/00/20/561750020.db2.gz XTVVJSSQHZOGSY-XMMPIXPASA-N 0 2 605.644 2.875 1 0 KFAFLN CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000016052443 561753871 /nfs/dbraw/zinc/75/38/71/561753871.db2.gz SQOYURLVDZJWFJ-VVMYJBMMSA-N 0 2 583.654 2.969 1 0 in-vitro KFAFLN Nc1cc(C2=[NH+]O[C@@](C[N-]S(=O)(=O)CC(F)(F)F)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl ZINC000025977156 561763654 /nfs/dbraw/zinc/76/36/54/561763654.db2.gz ZNHFKOSTJKZJPL-QHCPKHFHSA-N 0 2 647.057 2.615 1 0 KFAFLN Nc1cc(C2=[NH+]O[C@](C[N-]S(=O)(=O)CC(F)(F)F)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)C2)ccc1Cl ZINC000025977164 561763647 /nfs/dbraw/zinc/76/36/47/561763647.db2.gz ZNHFKOSTJKZJPL-HSZRJFAPSA-N 0 2 647.057 2.615 1 0 KFAFLN C[C@@]1(OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)CCC[NH2+]C[C@H]1NC(=O)c1ccc(O)cc1 ZINC000026154756 561768084 /nfs/dbraw/zinc/76/80/84/561768084.db2.gz USEYXZSHZLLAJS-KPURRNSFSA-N 0 2 564.547 2.536 1 0 KFAFLN CCCOc1ccc(S(=O)(=O)N2CC[NH+](C[P@](=O)([O-])OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026181093 561771753 /nfs/dbraw/zinc/77/17/53/561771753.db2.gz BJXXGUDGNBDJPA-UHFFFAOYSA-N 0 2 596.647 2.551 1 0 KFAFLN Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000026396490 561787159 /nfs/dbraw/zinc/78/71/59/561787159.db2.gz DMUAWZXRYTUAPH-PARVHPLESA-N 0 2 591.713 2.790 1 0 KFAFLN Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000026396490 561787158 /nfs/dbraw/zinc/78/71/58/561787158.db2.gz DMUAWZXRYTUAPH-PARVHPLESA-N 0 2 591.713 2.790 1 0 KFAFLN Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000026396494 561787173 /nfs/dbraw/zinc/78/71/73/561787173.db2.gz DMUAWZXRYTUAPH-CTHUERKZSA-N 0 2 591.713 2.790 1 0 KFAFLN Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000026396494 561787172 /nfs/dbraw/zinc/78/71/72/561787172.db2.gz DMUAWZXRYTUAPH-CTHUERKZSA-N 0 2 591.713 2.790 1 0 KFAFLN Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000026396499 561787169 /nfs/dbraw/zinc/78/71/69/561787169.db2.gz DMUAWZXRYTUAPH-DTJIFZNFSA-N 0 2 591.713 2.790 1 0 KFAFLN Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000026396499 561787168 /nfs/dbraw/zinc/78/71/68/561787168.db2.gz DMUAWZXRYTUAPH-DTJIFZNFSA-N 0 2 591.713 2.790 1 0 KFAFLN Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000026396505 561787131 /nfs/dbraw/zinc/78/71/31/561787131.db2.gz DMUAWZXRYTUAPH-MGMJNFTGSA-N 0 2 591.713 2.790 1 0 KFAFLN Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000026396505 561787130 /nfs/dbraw/zinc/78/71/30/561787130.db2.gz DMUAWZXRYTUAPH-MGMJNFTGSA-N 0 2 591.713 2.790 1 0 KFAFLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026501843 561795657 /nfs/dbraw/zinc/79/56/57/561795657.db2.gz QHWVLGPERLBSIQ-KCHLEUMXSA-N 0 2 583.645 2.787 1 0 KFAFLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026501843 561795655 /nfs/dbraw/zinc/79/56/55/561795655.db2.gz QHWVLGPERLBSIQ-KCHLEUMXSA-N 0 2 583.645 2.787 1 0 KFAFLN COc1ccc2c(c1)[nH+]ccc2O[C@@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CC2)N(C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C2CCCCC2)C(C)C)C1 ZINC000026567847 561797546 /nfs/dbraw/zinc/79/75/46/561797546.db2.gz QEBHXUITTNWIPD-FWDBPZADSA-N 0 2 651.761 2.551 1 0 KFAFLN COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC[C@@]2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1 ZINC000026570058 561797890 /nfs/dbraw/zinc/79/78/90/561797890.db2.gz NGVPDDZWSVJTDD-QOFFVNHYSA-N 0 2 590.538 2.757 1 0 KFAFLN COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC[C@]2(C1)OCCN(Cc1n[nH]c(=O)[nH]1)[C@H]2c1ccc(F)cc1 ZINC000026570061 561797947 /nfs/dbraw/zinc/79/79/47/561797947.db2.gz NGVPDDZWSVJTDD-LREARKGRSA-N 0 2 590.538 2.757 1 0 KFAFLN CC[C@@H]1COCCN1N1C(=O)N(N2CCOC[C@@H]2CC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000026575955 561799704 /nfs/dbraw/zinc/79/97/04/561799704.db2.gz ZRAFSXGKKWLNKT-KWKLTRBOSA-N 0 2 552.716 2.720 1 0 KFAFLN CC[C@H]1COCCN1N1C(=O)N(N2CCOC[C@@H]2CC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000026575956 561799690 /nfs/dbraw/zinc/79/96/90/561799690.db2.gz ZRAFSXGKKWLNKT-JMMMPTOISA-N 0 2 552.716 2.720 1 0 KFAFLN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)CNC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026576949 561800823 /nfs/dbraw/zinc/80/08/23/561800823.db2.gz PQLIVXNQSIYFIZ-GVRKKVCYSA-N 0 2 514.619 2.851 1 0 KFAFLN O=C([O-])c1ccc2ccccc2c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026577338 561801312 /nfs/dbraw/zinc/80/13/12/561801312.db2.gz CTBULQFIIOEIHV-XUZZJYLKSA-N 0 2 556.527 2.813 1 0 KFAFLN O=C([O-])c1ccc2ccccc2c1C(=O)c1c(O)cc(C(=O)O[C@H]2C[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026577339 561801386 /nfs/dbraw/zinc/80/13/86/561801386.db2.gz CTBULQFIIOEIHV-URXFXBBRSA-N 0 2 556.527 2.813 1 0 KFAFLN O=C([O-])c1ccc2ccccc2c1C(=O)c1c(O)cc(C(=O)O[C@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026577340 561801326 /nfs/dbraw/zinc/80/13/26/561801326.db2.gz CTBULQFIIOEIHV-QPPBQGQZSA-N 0 2 556.527 2.813 1 0 KFAFLN O=C(N[C@@H]1CCC[C@@H]1OC(=O)c1cc(O)c(-c2n[nH]c(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1 ZINC000026579151 561804142 /nfs/dbraw/zinc/80/41/42/561804142.db2.gz NMEBHVJGDHILBV-UTKZUKDTSA-N 0 2 517.494 2.920 1 0 KFAFLN O=C(N[C@H]1CCC[C@@H]1OC(=O)c1cc(O)c(-c2n[nH]c(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1 ZINC000026579152 561804150 /nfs/dbraw/zinc/80/41/50/561804150.db2.gz NMEBHVJGDHILBV-UWJYYQICSA-N 0 2 517.494 2.920 1 0 KFAFLN O=C(N[C@H]1CCC[C@H]1OC(=O)c1cc(O)c(-c2n[nH]c(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1 ZINC000026579153 561804215 /nfs/dbraw/zinc/80/42/15/561804215.db2.gz NMEBHVJGDHILBV-LAUBAEHRSA-N 0 2 517.494 2.920 1 0 KFAFLN CCOC(=O)c1sc(Nc2nc3ncn(CC)c3c(NCc3ccc(S(N)(=O)=O)cc3)n2)nc1C ZINC000026744704 561818654 /nfs/dbraw/zinc/81/86/54/561818654.db2.gz QNLOLWMFEMGKAI-UHFFFAOYSA-N 0 2 516.609 2.791 1 0 KFAFLN COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCO)c3c2OC(F)F)CC1 ZINC000026825494 561821833 /nfs/dbraw/zinc/82/18/33/561821833.db2.gz XAZQGJJEMQKGKP-UHFFFAOYSA-N 0 2 507.465 2.768 1 0 KFAFLN CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]C(c1ncccc1O)c1ncccc1O)C(C)C)C(=O)[O-] ZINC000026828821 561822510 /nfs/dbraw/zinc/82/25/10/561822510.db2.gz SEGGQCYIUSJDOQ-HFMPRLQTSA-N 0 2 595.722 2.641 1 0 KFAFLN O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c([nH+]2)NCCC3)C1=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000027079060 561834702 /nfs/dbraw/zinc/83/47/02/561834702.db2.gz VJGKWMZBCANVTK-LPHOPBHVSA-N 0 2 530.528 2.875 1 0 KFAFLN C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c(c32)S1 ZINC000027089818 561837066 /nfs/dbraw/zinc/83/70/66/561837066.db2.gz IBRKSZPHBWKBPS-CYBMUJFWSA-N 0 2 521.567 2.983 1 0 KFAFLN C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)c(c32)S1 ZINC000027089824 561837096 /nfs/dbraw/zinc/83/70/96/561837096.db2.gz IBRKSZPHBWKBPS-ZDUSSCGKSA-N 0 2 521.567 2.983 1 0 KFAFLN Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@]3(C2)C[C@@H](CNc2cccc[nH+]2)N(C(=O)OCc2ccccc2)C3)C(=O)[O-])c(C)c1 ZINC000027304129 561849377 /nfs/dbraw/zinc/84/93/77/561849377.db2.gz IBXMYCNAAVLIET-SUPILHGUSA-N 0 2 678.768 2.893 1 0 KFAFLN O=C([O-])[C@H](CNC(=O)C1=NO[C@@H](CCCCNc2cccc[nH+]2)C1)NS(=O)(=O)c1cccc2ccccc21 ZINC000027316642 561851767 /nfs/dbraw/zinc/85/17/67/561851767.db2.gz QSLIIULVEYKKMJ-UGKGYDQZSA-N 0 2 539.614 2.510 1 0 KFAFLN O=C([O-])[C@H](CNC(=O)C1=NO[C@H](CCCCNc2cccc[nH+]2)C1)NS(=O)(=O)c1cccc2ccccc21 ZINC000027316649 561851728 /nfs/dbraw/zinc/85/17/28/561851728.db2.gz QSLIIULVEYKKMJ-KNQAVFIVSA-N 0 2 539.614 2.510 1 0 KFAFLN CC(=O)NC[C@H]1CN(c2ccc(O[C@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)C3)c(F)c2)C(=O)O1 ZINC000027418315 561857303 /nfs/dbraw/zinc/85/73/03/561857303.db2.gz QBBBKUPDYAMFCA-ROUUACIJSA-N 0 2 583.548 2.827 1 0 KFAFLN CC(=O)NC[C@H]1CN(c2ccc(N[C@@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)C3)c(F)c2)C(=O)O1 ZINC000027422448 561857845 /nfs/dbraw/zinc/85/78/45/561857845.db2.gz BPOMCFNQRHWKEF-QAPCUYQASA-N 0 2 582.564 2.860 1 0 KFAFLN CC(=O)NC[C@H]1CN(c2ccc(O[C@@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)C3)c(F)c2)C(=O)O1 ZINC000027423900 561858131 /nfs/dbraw/zinc/85/81/31/561858131.db2.gz QBBBKUPDYAMFCA-MSOLQXFVSA-N 0 2 583.548 2.827 1 0 KFAFLN Cc1cc(C)c(NS(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(cnn3CCCNc3cccc[nH+]3)c2)C(=O)[O-])c(C)c1 ZINC000027651852 561876685 /nfs/dbraw/zinc/87/66/85/561876685.db2.gz AYBNQLHFGXERNM-QHCPKHFHSA-N 0 2 579.683 2.988 1 0 KFAFLN CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH+]1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028019951 561898208 /nfs/dbraw/zinc/89/82/08/561898208.db2.gz AHNAIKXYOWIWTK-ZEQRLZLVSA-N 0 2 564.664 2.782 1 0 KFAFLN CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH+]1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028019956 561898253 /nfs/dbraw/zinc/89/82/53/561898253.db2.gz AHNAIKXYOWIWTK-BJKOFHAPSA-N 0 2 564.664 2.782 1 0 KFAFLN CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)C[NH+]1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028019960 561898268 /nfs/dbraw/zinc/89/82/68/561898268.db2.gz AHNAIKXYOWIWTK-RPWUZVMVSA-N 0 2 564.664 2.782 1 0 KFAFLN CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)C[NH+]1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028019966 561898212 /nfs/dbraw/zinc/89/82/12/561898212.db2.gz AHNAIKXYOWIWTK-DNQXCXABSA-N 0 2 564.664 2.782 1 0 KFAFLN CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](Oc2cc[nH+]c3ccccc32)C[C@H]1C(=O)NC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028099063 561901228 /nfs/dbraw/zinc/90/12/28/561901228.db2.gz WJUBXTHMPZQWRK-VUFXOVIRSA-N 0 2 621.735 2.542 1 0 KFAFLN O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)CCc2ccc3c([nH+]2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028379862 561919949 /nfs/dbraw/zinc/91/99/49/561919949.db2.gz YKDPBQLUFJZRDN-OAQYLSRUSA-N 0 2 508.575 2.672 1 0 KFAFLN O=C([O-])C[C@H](NC(=O)C1CCN(C(=O)CCc2ccc3c([nH+]2)NCCC3)CC1)c1ccc2c(c1)OCO2 ZINC000028379870 561919955 /nfs/dbraw/zinc/91/99/55/561919955.db2.gz YKDPBQLUFJZRDN-NRFANRHFSA-N 0 2 508.575 2.672 1 0 KFAFLN Cc1cc(COc2ccc(C3(N4CCN(C(=O)C(C)(C)C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028473633 561927404 /nfs/dbraw/zinc/92/74/04/561927404.db2.gz NPIWTBAYANSBHN-UHFFFAOYSA-N 0 2 543.624 2.874 1 0 KFAFLN O=C([O-])CC[NH+]1CCN(C2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)NC(=O)NC2=O)CC1 ZINC000028477212 561928477 /nfs/dbraw/zinc/92/84/77/561928477.db2.gz VQFRAJKJRLAZOI-UHFFFAOYSA-N 0 2 531.363 2.735 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(Cc2c[nH]c[nH+]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000028571120 561939234 /nfs/dbraw/zinc/93/92/34/561939234.db2.gz IJXSXCBEAJLFHS-NBGIEHNGSA-N 0 2 509.588 2.565 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(Cc2c[nH+]c[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000028571120 561939232 /nfs/dbraw/zinc/93/92/32/561939232.db2.gz IJXSXCBEAJLFHS-NBGIEHNGSA-N 0 2 509.588 2.565 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(Cc2c[nH]c[nH+]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000028571121 561939248 /nfs/dbraw/zinc/93/92/48/561939248.db2.gz IJXSXCBEAJLFHS-CPJSRVTESA-N 0 2 509.588 2.565 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(Cc2c[nH+]c[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000028571121 561939246 /nfs/dbraw/zinc/93/92/46/561939246.db2.gz IJXSXCBEAJLFHS-CPJSRVTESA-N 0 2 509.588 2.565 1 0 KFAFLN CC(C)(C)CC(=O)N1C[C@H](OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(=O)[O-])C[C@H]1CNc1cccc[nH+]1 ZINC000028710116 561950997 /nfs/dbraw/zinc/95/09/97/561950997.db2.gz SMNXQFKEUFRQPU-BDTNDASRSA-N 0 2 559.708 2.572 1 0 KFAFLN Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3cccc[nH+]3)N(C(=O)CC(C)(C)C)C2)C(=O)[O-])c(C)c1 ZINC000028710124 561951012 /nfs/dbraw/zinc/95/10/12/561951012.db2.gz AZJYXUVHLYXCJY-VXNXHJTFSA-N 0 2 581.714 2.840 1 0 KFAFLN CC1(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3cccc[nH+]3)N(C(=O)OCc3ccccc3)C2)C(=O)[O-])CCCCC1 ZINC000028710128 561950972 /nfs/dbraw/zinc/95/09/72/561950972.db2.gz UZVROHMMUDQAOJ-GVAUOCQISA-N 0 2 595.697 2.946 1 0 KFAFLN Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3cccc[nH+]3)N(C(=O)OCc3ccccc3)C2)C(=O)[O-])c(C)c1 ZINC000028710138 561950991 /nfs/dbraw/zinc/95/09/91/561950991.db2.gz OURYZIAAXSSBIO-VJGNERBWSA-N 0 2 653.758 2.763 1 0 KFAFLN Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3cccc[nH+]3)N(C(=O)CCc3ccccc3)C2)C(=O)[O-])c(C)c1 ZINC000028710145 561951022 /nfs/dbraw/zinc/95/10/22/561951022.db2.gz HNKFTNWKBPAXKF-IARZGTGTSA-N 0 2 651.786 2.586 1 0 KFAFLN COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3C(=O)[O-])SCC(=O)N5)C4)c2n1 ZINC000028817512 561964933 /nfs/dbraw/zinc/96/49/33/561964933.db2.gz VIKYDHVRZWIQEM-AWEZNQCLSA-N 0 2 530.566 2.854 1 0 KFAFLN COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3C(=O)[O-])SCC(=O)N5)C4)c2n1 ZINC000028817514 561964896 /nfs/dbraw/zinc/96/48/96/561964896.db2.gz VIKYDHVRZWIQEM-CQSZACIVSA-N 0 2 530.566 2.854 1 0 KFAFLN COS(=O)(=O)[N-]C(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000028821518 561966426 /nfs/dbraw/zinc/96/64/26/561966426.db2.gz PKPSNPAVDRFCKI-DLBZAZTESA-N 0 2 542.029 2.529 1 0 KFAFLN COS(=O)(=O)[N-]C(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000028821518 561966425 /nfs/dbraw/zinc/96/64/25/561966425.db2.gz PKPSNPAVDRFCKI-DLBZAZTESA-N 0 2 542.029 2.529 1 0 KFAFLN C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000028898899 561979635 /nfs/dbraw/zinc/97/96/35/561979635.db2.gz KOSOGUVRRYONSO-ZDUSSCGKSA-N 0 2 577.024 2.694 1 0 KFAFLN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(N3CCN(c4cccc[nH+]4)CC3)cc2)C(=O)[O-])cc1 ZINC000028978662 561987989 /nfs/dbraw/zinc/98/79/89/561987989.db2.gz KXDHHOHONIXTFW-SVBPBHIXSA-N 0 2 577.707 2.682 1 0 KFAFLN CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(S(=O)(=O)N(C)C)ccc3N2)c1=O ZINC000029046171 561992846 /nfs/dbraw/zinc/99/28/46/561992846.db2.gz MPBFILOXUKLJLC-UHFFFAOYSA-N 0 2 551.672 2.535 1 0 KFAFLN CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3N2)c1=O ZINC000029046324 561992853 /nfs/dbraw/zinc/99/28/53/561992853.db2.gz FDZYGDHUNQLBNP-UHFFFAOYSA-N 0 2 522.630 2.688 1 0 KFAFLN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(-c3cccs3)nn(Cc3ccc(F)cc3)c1=O)N2 ZINC000029046327 561992876 /nfs/dbraw/zinc/99/28/76/561992876.db2.gz SIRVFLHRTOQLKW-UHFFFAOYSA-N 0 2 575.625 2.797 1 0 KFAFLN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(-c3cccs3)nn(CC3(C(F)(F)F)CC3)c1=O)N2 ZINC000029046709 561992979 /nfs/dbraw/zinc/99/29/79/561992979.db2.gz OWHFDRSVDOOTEO-UHFFFAOYSA-N 0 2 589.599 2.952 1 0 KFAFLN COc1c(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 ZINC000029123250 561996605 /nfs/dbraw/zinc/99/66/05/561996605.db2.gz ASODKBLNXZTFAP-NRFANRHFSA-N 0 2 523.517 2.671 1 0 KFAFLN COc1c(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 ZINC000029123251 561996541 /nfs/dbraw/zinc/99/65/41/561996541.db2.gz ASODKBLNXZTFAP-OAQYLSRUSA-N 0 2 523.517 2.671 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000029128139 562000603 /nfs/dbraw/zinc/00/06/03/562000603.db2.gz UQAPDUYQJPKWFG-JYIQTIOUSA-N 0 2 696.629 2.590 1 0 KFAFLN O=C(CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000029128715 562001127 /nfs/dbraw/zinc/00/11/27/562001127.db2.gz GJFWRLSCEYCXSO-UHFFFAOYSA-N 0 2 519.963 2.585 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)C[N@H+]1CCC=C(C(=O)[O-])C1 ZINC000029345188 562016125 /nfs/dbraw/zinc/01/61/25/562016125.db2.gz SRYNKMOXTSLRPE-GCRSFRQPSA-N 0 2 662.784 2.844 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(=O)C[N@@H+]1CCC=C(C(=O)[O-])C1 ZINC000029345188 562016123 /nfs/dbraw/zinc/01/61/23/562016123.db2.gz SRYNKMOXTSLRPE-GCRSFRQPSA-N 0 2 662.784 2.844 1 0 KFAFLN CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@](=O)([O-])O ZINC000029403267 562020170 /nfs/dbraw/zinc/02/01/70/562020170.db2.gz GVAHUOPZUZXLJB-FKWFRFQNSA-N 0 2 682.715 2.632 1 0 KFAFLN CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@](=O)([O-])O ZINC000029403267 562020169 /nfs/dbraw/zinc/02/01/69/562020169.db2.gz GVAHUOPZUZXLJB-FKWFRFQNSA-N 0 2 682.715 2.632 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@](=O)([O-])O ZINC000029403272 562020164 /nfs/dbraw/zinc/02/01/64/562020164.db2.gz GVAHUOPZUZXLJB-QUAHOIDUSA-N 0 2 682.715 2.632 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@](=O)([O-])O ZINC000029403272 562020163 /nfs/dbraw/zinc/02/01/63/562020163.db2.gz GVAHUOPZUZXLJB-QUAHOIDUSA-N 0 2 682.715 2.632 1 0 KFAFLN CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@H](=O)[O-] ZINC000029403276 562020135 /nfs/dbraw/zinc/02/01/35/562020135.db2.gz RGBKGYRQVGEQJB-FKWFRFQNSA-N 0 2 666.716 2.921 1 0 KFAFLN CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@H](=O)[O-] ZINC000029403276 562020133 /nfs/dbraw/zinc/02/01/33/562020133.db2.gz RGBKGYRQVGEQJB-FKWFRFQNSA-N 0 2 666.716 2.921 1 0 KFAFLN CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@H](=O)[O-] ZINC000029403276 562020131 /nfs/dbraw/zinc/02/01/31/562020131.db2.gz RGBKGYRQVGEQJB-FKWFRFQNSA-N 0 2 666.716 2.921 1 0 KFAFLN CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@H](=O)[O-] ZINC000029403276 562020129 /nfs/dbraw/zinc/02/01/29/562020129.db2.gz RGBKGYRQVGEQJB-FKWFRFQNSA-N 0 2 666.716 2.921 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@H](=O)[O-] ZINC000029403281 562020156 /nfs/dbraw/zinc/02/01/56/562020156.db2.gz RGBKGYRQVGEQJB-QUAHOIDUSA-N 0 2 666.716 2.921 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@H](=O)[O-] ZINC000029403281 562020154 /nfs/dbraw/zinc/02/01/54/562020154.db2.gz RGBKGYRQVGEQJB-QUAHOIDUSA-N 0 2 666.716 2.921 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@H](=O)[O-] ZINC000029403281 562020152 /nfs/dbraw/zinc/02/01/52/562020152.db2.gz RGBKGYRQVGEQJB-QUAHOIDUSA-N 0 2 666.716 2.921 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[P@@H](=O)[O-] ZINC000029403281 562020150 /nfs/dbraw/zinc/02/01/50/562020150.db2.gz RGBKGYRQVGEQJB-QUAHOIDUSA-N 0 2 666.716 2.921 1 0 KFAFLN CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CCS(=O)(=O)C(C)C ZINC000029464455 562023848 /nfs/dbraw/zinc/02/38/48/562023848.db2.gz SDSLMEAFLBLGEX-BIHRQFPBSA-N 0 2 569.765 2.732 1 0 KFAFLN NC(=[NH2+])NS(=O)(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-] ZINC000029480288 562027079 /nfs/dbraw/zinc/02/70/79/562027079.db2.gz LJXMKECWBSWYOK-UHFFFAOYSA-N 0 2 558.828 2.607 1 0 KFAFLN CC(C)[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000029560513 562033043 /nfs/dbraw/zinc/03/30/43/562033043.db2.gz QIQMPZYAVPKQKL-XHTHIGMCSA-N 0 2 730.741 2.590 1 0 KFAFLN COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000034199139 560087601 /nfs/dbraw/zinc/08/76/01/560087601.db2.gz NGMYNFJANBHLKA-HMZSXBGCSA-N 0 2 514.527 2.595 1 0 biogenic,in-vitro KFAFLN COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000034199143 291765386 /nfs/dbraw/zinc/76/53/86/291765386.db2.gz NGMYNFJANBHLKA-PKADWCSHSA-N 0 2 514.527 2.595 1 0 biogenic,in-vitro KFAFLN Cn1nc(C[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1S(=O)(=O)CCc1ccc2c([nH+]1)NCCC2 ZINC000036269291 562052914 /nfs/dbraw/zinc/05/29/14/562052914.db2.gz CTOPQASYIWIPDN-SFHVURJKSA-N 0 2 512.588 2.719 1 0 KFAFLN Cn1nc(C[C@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1S(=O)(=O)CCc1ccc2c([nH+]1)NCCC2 ZINC000036269295 562052929 /nfs/dbraw/zinc/05/29/29/562052929.db2.gz CTOPQASYIWIPDN-GOSISDBHSA-N 0 2 512.588 2.719 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(CCCc2c[nH]c[nH+]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330403 562055844 /nfs/dbraw/zinc/05/58/44/562055844.db2.gz OEMBXAJIJLOISQ-CUNXSJBXSA-N 0 2 537.642 2.998 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(CCCc2c[nH+]c[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330403 562055842 /nfs/dbraw/zinc/05/58/42/562055842.db2.gz OEMBXAJIJLOISQ-CUNXSJBXSA-N 0 2 537.642 2.998 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(CCCc2c[nH]c[nH+]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330404 562055747 /nfs/dbraw/zinc/05/57/47/562055747.db2.gz OEMBXAJIJLOISQ-WXVAWEFUSA-N 0 2 537.642 2.998 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(CCCc2c[nH+]c[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330404 562055745 /nfs/dbraw/zinc/05/57/45/562055745.db2.gz OEMBXAJIJLOISQ-WXVAWEFUSA-N 0 2 537.642 2.998 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(CCc2c[nH]c[nH+]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330437 562055788 /nfs/dbraw/zinc/05/57/88/562055788.db2.gz KAZRGJXVBVPWLA-LVXARBLLSA-N 0 2 523.615 2.608 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(CCc2c[nH+]c[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330437 562055786 /nfs/dbraw/zinc/05/57/86/562055786.db2.gz KAZRGJXVBVPWLA-LVXARBLLSA-N 0 2 523.615 2.608 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(CCc2c[nH]c[nH+]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330438 562055823 /nfs/dbraw/zinc/05/58/23/562055823.db2.gz KAZRGJXVBVPWLA-HFZDXXHNSA-N 0 2 523.615 2.608 1 0 KFAFLN CSCC[C@H](NC(=O)CN1C(=O)N(CCc2c[nH+]c[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21)C(=O)[O-] ZINC000036330438 562055822 /nfs/dbraw/zinc/05/58/22/562055822.db2.gz KAZRGJXVBVPWLA-HFZDXXHNSA-N 0 2 523.615 2.608 1 0 KFAFLN O=S(=O)(N[C@H]1CC12CCN(S(=O)(=O)c1cc3ccccc3n1S(=O)(=O)c1ccccc1F)CC2)C(F)(F)F ZINC000043103655 562645976 /nfs/dbraw/zinc/64/59/76/562645976.db2.gz ZKCNEOIXQJGFAC-IBGZPJMESA-N 0 2 595.618 3.000 1 0 KFAFLN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1)c1ccc2[nH]c(=O)cc(O)c2c1 ZINC000043201618 562646901 /nfs/dbraw/zinc/64/69/01/562646901.db2.gz JAUUPTJHJIUVMZ-QHCPKHFHSA-N 0 2 557.998 2.563 1 0 in-vitro KFAFLN CCCCN1C[C@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)[C@@H](CC)C1=O ZINC000044358299 562655276 /nfs/dbraw/zinc/65/52/76/562655276.db2.gz AOQDELDVXVGZSZ-ABTFIVDISA-N 0 2 570.681 2.638 1 0 KFAFLN Cc1ccc(S(=O)(=O)NCCN(CCNC(=O)Nc2ccccc2)CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044388134 562656275 /nfs/dbraw/zinc/65/62/75/562656275.db2.gz NJKCDUULHWMQKD-UHFFFAOYSA-N 0 2 573.741 2.684 1 0 KFAFLN O=C([O-])CC[NH+]1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000045336355 562661399 /nfs/dbraw/zinc/66/13/99/562661399.db2.gz CINMAWWAAKERIH-UHFFFAOYSA-N 0 2 520.551 2.756 1 0 KFAFLN C[C@]([NH3+])(CO[P@](=O)([O-])O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1 ZINC000049071358 562664131 /nfs/dbraw/zinc/66/41/31/562664131.db2.gz QNJUIJYMNKFBHK-VWLOTQADSA-N 0 2 513.487 2.839 1 0 KFAFLN C[C@]([NH3+])(CO[P@@](=O)([O-])O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1 ZINC000049071358 562664130 /nfs/dbraw/zinc/66/41/30/562664130.db2.gz QNJUIJYMNKFBHK-VWLOTQADSA-N 0 2 513.487 2.839 1 0 KFAFLN O=C([O-])[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1coc(-c2ccccc2)n1 ZINC000049590176 562664911 /nfs/dbraw/zinc/66/49/11/562664911.db2.gz XOASQIZBZGSXPJ-NSOVKSMOSA-N 0 2 620.666 2.856 1 0 KFAFLN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCC[NH+]3CCOCC3)nc(-c3ccccc3)n2)CC1 ZINC000049679273 562668857 /nfs/dbraw/zinc/66/88/57/562668857.db2.gz OTPVYTZQPGECTK-SANMLTNESA-N 0 2 654.765 2.679 1 0 KFAFLN O=C(OC1([C@H]2COC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@H](NS(=O)(=O)C(F)(F)F)C1 ZINC000049679648 562668993 /nfs/dbraw/zinc/66/89/93/562668993.db2.gz ORHPKFAQDLRRDR-YTQUADARSA-N 0 2 602.053 2.691 1 0 KFAFLN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(OCCC[NH+]3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000049680080 562669089 /nfs/dbraw/zinc/66/90/89/562669089.db2.gz IFJJFBIHRGTSBT-SANMLTNESA-N 0 2 654.765 2.679 1 0 KFAFLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000049695224 562670293 /nfs/dbraw/zinc/67/02/93/562670293.db2.gz MFRBEEFZCWWEBB-SFTDATJTSA-N 0 2 614.606 2.821 1 0 KFAFLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000049695224 562670292 /nfs/dbraw/zinc/67/02/92/562670292.db2.gz MFRBEEFZCWWEBB-SFTDATJTSA-N 0 2 614.606 2.821 1 0 KFAFLN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NC(=O)N3CC[NH+](C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049710716 562671824 /nfs/dbraw/zinc/67/18/24/562671824.db2.gz VTSXJIYSFPNWPD-SANMLTNESA-N 0 2 651.765 2.962 1 0 KFAFLN O=S(=O)(c1ccccn1)c1ccc(OC(F)(F)F)cc1S(=O)(=O)N1CCC2(C[C@@H]2NS(=O)(=O)C(F)(F)F)CC1 ZINC000049756473 562675086 /nfs/dbraw/zinc/67/50/86/562675086.db2.gz GUETVUDZJQRDME-INIZCTEOSA-N 0 2 623.575 2.795 1 0 KFAFLN O=S(=O)(c1ccccn1)c1ccc(OC(F)(F)F)cc1S(=O)(=O)N1CCC2(C[C@H]2NS(=O)(=O)C(F)(F)F)CC1 ZINC000049756475 562675023 /nfs/dbraw/zinc/67/50/23/562675023.db2.gz GUETVUDZJQRDME-MRXNPFEDSA-N 0 2 623.575 2.795 1 0 KFAFLN O=S(=O)(c1ccccn1)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(C[C@@H]2NS(=O)(=O)C(F)(F)F)CC1 ZINC000049756794 562675271 /nfs/dbraw/zinc/67/52/71/562675271.db2.gz JUQOWIVYUJPGSV-INIZCTEOSA-N 0 2 574.024 2.550 1 0 KFAFLN O=S(=O)(c1ccccn1)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(C[C@H]2NS(=O)(=O)C(F)(F)F)CC1 ZINC000049756796 562675269 /nfs/dbraw/zinc/67/52/69/562675269.db2.gz JUQOWIVYUJPGSV-MRXNPFEDSA-N 0 2 574.024 2.550 1 0 KFAFLN Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@H]2C[C@H](CNc3cccc[nH+]3)N(C(=O)CC(C)(C)C)C2)C(=O)[O-])c(C)c1 ZINC000049756926 562675321 /nfs/dbraw/zinc/67/53/21/562675321.db2.gz AZJYXUVHLYXCJY-SGNDLWITSA-N 0 2 581.714 2.840 1 0 KFAFLN O=S(=O)(NCCCCNS(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F ZINC000049757070 562675512 /nfs/dbraw/zinc/67/55/12/562675512.db2.gz OOVUQROFIYVYHF-UHFFFAOYSA-N 0 2 552.977 2.810 1 0 KFAFLN O=S(=O)(c1ccccc1F)c1cc(Cl)ccc1S(=O)(=O)N1CC(CCNS(=O)(=O)C(F)(F)F)C1 ZINC000049757071 562675526 /nfs/dbraw/zinc/67/55/26/562675526.db2.gz YGILMJYQKXFDDM-UHFFFAOYSA-N 0 2 564.988 2.762 1 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JLFYFKSZKDBIRY-SANMLTNESA-N 0 2 636.750 2.570 1 0 KFAFLN CCC(=O)N[C@H]1C[C@@H](n2cnc3c2nc(NCCc2cn(CC(=O)[O-])c[nH+]2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000049762892 562676762 /nfs/dbraw/zinc/67/67/62/562676762.db2.gz SLUDEWSSMYOKIL-ZBKRMGPDSA-N 0 2 653.744 2.567 1 0 KFAFLN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC([NH+]4CCOCC4)C3)cc(-c3ccccc3)n2)CC1 ZINC000049763131 562676846 /nfs/dbraw/zinc/67/68/46/562676846.db2.gz SAHWNZLCCJXNFR-NDEPHWFRSA-N 0 2 650.777 2.704 1 0 KFAFLN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[NH+](CC(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049767365 562677549 /nfs/dbraw/zinc/67/75/49/562677549.db2.gz GYJIGVIZMDGPSV-PMERELPUSA-N 0 2 705.857 2.927 1 0 KFAFLN CN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000049780495 562681845 /nfs/dbraw/zinc/68/18/45/562681845.db2.gz CPZRYRVSOCXUSE-ULNSLHSMSA-N 0 2 613.671 2.835 1 0 KFAFLN 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0 KFAFLN Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3s2)S(C)(=O)=O)o1 ZINC000143929488 562835420 /nfs/dbraw/zinc/83/54/20/562835420.db2.gz MFNOIJGLLRGUPT-QHCPKHFHSA-N 0 2 569.665 2.838 1 0 KFAFLN Cc1nnc(CNC(=O)[C@@H](c2nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3s2)S(C)(=O)=O)o1 ZINC000143929488 562835419 /nfs/dbraw/zinc/83/54/19/562835419.db2.gz MFNOIJGLLRGUPT-QHCPKHFHSA-N 0 2 569.665 2.838 1 0 KFAFLN Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3s2)S(C)(=O)=O)o1 ZINC000143929699 562835386 /nfs/dbraw/zinc/83/53/86/562835386.db2.gz MFNOIJGLLRGUPT-HSZRJFAPSA-N 0 2 569.665 2.838 1 0 KFAFLN Cc1nnc(CNC(=O)[C@H](c2nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3s2)S(C)(=O)=O)o1 ZINC000143929699 562835385 /nfs/dbraw/zinc/83/53/85/562835385.db2.gz MFNOIJGLLRGUPT-HSZRJFAPSA-N 0 2 569.665 2.838 1 0 KFAFLN COCc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 ZINC000143957332 562835503 /nfs/dbraw/zinc/83/55/03/562835503.db2.gz FYSLIKFITIPITP-LJQANCHMSA-N 0 2 579.644 2.923 1 0 KFAFLN COCc1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 ZINC000143957332 562835502 /nfs/dbraw/zinc/83/55/02/562835502.db2.gz FYSLIKFITIPITP-LJQANCHMSA-N 0 2 579.644 2.923 1 0 KFAFLN COCc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 ZINC000143957496 562835501 /nfs/dbraw/zinc/83/55/01/562835501.db2.gz FYSLIKFITIPITP-IBGZPJMESA-N 0 2 579.644 2.923 1 0 KFAFLN COCc1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 ZINC000143957496 562835500 /nfs/dbraw/zinc/83/55/00/562835500.db2.gz FYSLIKFITIPITP-IBGZPJMESA-N 0 2 579.644 2.923 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccnc(F)c3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000143965076 562835483 /nfs/dbraw/zinc/83/54/83/562835483.db2.gz OUJABKBVDJOEPJ-NRFANRHFSA-N 0 2 548.643 2.558 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccnc(F)c3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000143965076 562835482 /nfs/dbraw/zinc/83/54/82/562835482.db2.gz OUJABKBVDJOEPJ-NRFANRHFSA-N 0 2 548.643 2.558 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccnc(F)c3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000143965289 562835536 /nfs/dbraw/zinc/83/55/36/562835536.db2.gz OUJABKBVDJOEPJ-OAQYLSRUSA-N 0 2 548.643 2.558 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccnc(F)c3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000143965289 562835535 /nfs/dbraw/zinc/83/55/35/562835535.db2.gz OUJABKBVDJOEPJ-OAQYLSRUSA-N 0 2 548.643 2.558 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2cc(-c3ccc(F)nc3)ccc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000143973139 562835520 /nfs/dbraw/zinc/83/55/20/562835520.db2.gz TVHIKAMHZCQLOG-NRFANRHFSA-N 0 2 566.633 2.697 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2cc(-c3ccc(F)nc3)ccc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000143973139 562835519 /nfs/dbraw/zinc/83/55/19/562835519.db2.gz TVHIKAMHZCQLOG-NRFANRHFSA-N 0 2 566.633 2.697 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2cc(-c3ccc(F)nc3)ccc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000143973324 562835505 /nfs/dbraw/zinc/83/55/05/562835505.db2.gz TVHIKAMHZCQLOG-OAQYLSRUSA-N 0 2 566.633 2.697 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2cc(-c3ccc(F)nc3)ccc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000143973324 562835504 /nfs/dbraw/zinc/83/55/04/562835504.db2.gz TVHIKAMHZCQLOG-OAQYLSRUSA-N 0 2 566.633 2.697 1 0 KFAFLN CC(=O)Nc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 ZINC000144015312 562835680 /nfs/dbraw/zinc/83/56/80/562835680.db2.gz UODAWRPWTNYGSU-LJQANCHMSA-N 0 2 592.643 2.735 1 0 KFAFLN CC(=O)Nc1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 ZINC000144015312 562835679 /nfs/dbraw/zinc/83/56/79/562835679.db2.gz UODAWRPWTNYGSU-LJQANCHMSA-N 0 2 592.643 2.735 1 0 KFAFLN CC(=O)Nc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 ZINC000144015523 562835664 /nfs/dbraw/zinc/83/56/64/562835664.db2.gz UODAWRPWTNYGSU-IBGZPJMESA-N 0 2 592.643 2.735 1 0 KFAFLN CC(=O)Nc1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1 ZINC000144015523 562835663 /nfs/dbraw/zinc/83/56/63/562835663.db2.gz UODAWRPWTNYGSU-IBGZPJMESA-N 0 2 592.643 2.735 1 0 KFAFLN CC(C)Oc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1Cl ZINC000144022519 562835675 /nfs/dbraw/zinc/83/56/75/562835675.db2.gz MKJJVRJIJQCCNF-LJQANCHMSA-N 0 2 546.092 2.894 1 0 KFAFLN CC(C)Oc1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1Cl ZINC000144022519 562835674 /nfs/dbraw/zinc/83/56/74/562835674.db2.gz MKJJVRJIJQCCNF-LJQANCHMSA-N 0 2 546.092 2.894 1 0 KFAFLN CC(C)Oc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1Cl ZINC000144022649 562835654 /nfs/dbraw/zinc/83/56/54/562835654.db2.gz MKJJVRJIJQCCNF-IBGZPJMESA-N 0 2 546.092 2.894 1 0 KFAFLN CC(C)Oc1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1Cl ZINC000144022649 562835653 /nfs/dbraw/zinc/83/56/53/562835653.db2.gz MKJJVRJIJQCCNF-IBGZPJMESA-N 0 2 546.092 2.894 1 0 KFAFLN COCCNC(=O)c1ccc(-c2cc3sc(C(C(=O)NCc4nnc(C)o4)S(=O)(=O)CCOC)nc3cc2F)cc1 ZINC000144023983 562835636 /nfs/dbraw/zinc/83/56/36/562835636.db2.gz GPOHSBUAHXXTGW-HSZRJFAPSA-N 0 2 605.670 2.589 1 0 KFAFLN COCCNC(=O)c1ccc(-c2cc3sc([C@@H](C(=O)NCc4nnc(C)o4)S(=O)(=O)CCOC)nc3cc2F)cc1 ZINC000144023983 562835635 /nfs/dbraw/zinc/83/56/35/562835635.db2.gz GPOHSBUAHXXTGW-HSZRJFAPSA-N 0 2 605.670 2.589 1 0 KFAFLN COCCNC(=O)c1ccc(-c2cc3sc(C(C(=O)NCc4nnc(C)o4)S(=O)(=O)CCOC)nc3cc2F)cc1 ZINC000144024139 562835669 /nfs/dbraw/zinc/83/56/69/562835669.db2.gz GPOHSBUAHXXTGW-QHCPKHFHSA-N 0 2 605.670 2.589 1 0 KFAFLN COCCNC(=O)c1ccc(-c2cc3sc([C@H](C(=O)NCc4nnc(C)o4)S(=O)(=O)CCOC)nc3cc2F)cc1 ZINC000144024139 562835668 /nfs/dbraw/zinc/83/56/68/562835668.db2.gz GPOHSBUAHXXTGW-QHCPKHFHSA-N 0 2 605.670 2.589 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000144110668 562835756 /nfs/dbraw/zinc/83/57/56/562835756.db2.gz ZKPLEXJKWFVTRI-NRFANRHFSA-N 0 2 548.643 2.558 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000144110668 562835755 /nfs/dbraw/zinc/83/57/55/562835755.db2.gz ZKPLEXJKWFVTRI-NRFANRHFSA-N 0 2 548.643 2.558 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000144110898 562835763 /nfs/dbraw/zinc/83/57/63/562835763.db2.gz ZKPLEXJKWFVTRI-OAQYLSRUSA-N 0 2 548.643 2.558 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)Cc1ccccc1 ZINC000144110898 562835762 /nfs/dbraw/zinc/83/57/62/562835762.db2.gz ZKPLEXJKWFVTRI-OAQYLSRUSA-N 0 2 548.643 2.558 1 0 KFAFLN Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc2cc1-c1ccc(F)nc1 ZINC000144122899 562835793 /nfs/dbraw/zinc/83/57/93/562835793.db2.gz PSHGYNGEVSGRPR-QGZVFWFLSA-N 0 2 568.596 2.619 1 0 KFAFLN Cc1cc2nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc2cc1-c1ccc(F)nc1 ZINC000144122899 562835792 /nfs/dbraw/zinc/83/57/92/562835792.db2.gz PSHGYNGEVSGRPR-QGZVFWFLSA-N 0 2 568.596 2.619 1 0 KFAFLN Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc2cc1-c1ccc(F)nc1 ZINC000144123103 562835766 /nfs/dbraw/zinc/83/57/66/562835766.db2.gz PSHGYNGEVSGRPR-KRWDZBQOSA-N 0 2 568.596 2.619 1 0 KFAFLN Cc1cc2nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc2cc1-c1ccc(F)nc1 ZINC000144123103 562835765 /nfs/dbraw/zinc/83/57/65/562835765.db2.gz PSHGYNGEVSGRPR-KRWDZBQOSA-N 0 2 568.596 2.619 1 0 KFAFLN CS(=O)(=O)C(C(=O)NCc1csc(N)n1)c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1 ZINC000144145831 562835838 /nfs/dbraw/zinc/83/58/38/562835838.db2.gz YZUBENPQMNWLOK-NRFANRHFSA-N 0 2 571.706 2.877 1 0 KFAFLN CS(=O)(=O)[C@@H](C(=O)NCc1csc(N)n1)c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1 ZINC000144145831 562835837 /nfs/dbraw/zinc/83/58/37/562835837.db2.gz YZUBENPQMNWLOK-NRFANRHFSA-N 0 2 571.706 2.877 1 0 KFAFLN CS(=O)(=O)C(C(=O)NCc1csc(N)n1)c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1 ZINC000144146064 562835826 /nfs/dbraw/zinc/83/58/26/562835826.db2.gz YZUBENPQMNWLOK-OAQYLSRUSA-N 0 2 571.706 2.877 1 0 KFAFLN CS(=O)(=O)[C@H](C(=O)NCc1csc(N)n1)c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1 ZINC000144146064 562835825 /nfs/dbraw/zinc/83/58/25/562835825.db2.gz YZUBENPQMNWLOK-OAQYLSRUSA-N 0 2 571.706 2.877 1 0 KFAFLN CC(=O)O[C@H]1[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)C[C@@H](C)[C@H](OC(C)=O)[C@H]1O ZINC000144488908 562836278 /nfs/dbraw/zinc/83/62/78/562836278.db2.gz WADXCMSONJVPKX-LTBIHHBXSA-N 0 2 514.483 2.588 1 0 KFAFLN CC(=O)O[C@@H]1[C@@H](C)C[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@@H](OC(C)=O)[C@H]1O ZINC000144510255 562836294 /nfs/dbraw/zinc/83/62/94/562836294.db2.gz WADXCMSONJVPKX-NWZCJRRASA-N 0 2 514.483 2.588 1 0 KFAFLN CC(=O)O[C@@H]1[C@H](O)[C@@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)C[C@H](C)[C@H]1OC(C)=O ZINC000144531517 562836330 /nfs/dbraw/zinc/83/63/30/562836330.db2.gz LLFRXYFZGCTTDG-FIKJVCJOSA-N 0 2 514.483 2.588 1 0 KFAFLN CC(=O)O[C@H]1[C@H](C)C[C@@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1OC(C)=O ZINC000144531752 562836369 /nfs/dbraw/zinc/83/63/69/562836369.db2.gz LLFRXYFZGCTTDG-OTGJNIAMSA-N 0 2 514.483 2.588 1 0 KFAFLN NC(=O)c1ccc(-c2cc3sc(C(C(=O)N[C@H]4CCNC4=O)S(=O)(=O)Cc4ccccc4)nc3cc2F)cc1 ZINC000145455065 562837058 /nfs/dbraw/zinc/83/70/58/562837058.db2.gz VBXZAUJIKPKFQS-NZQKXSOJSA-N 0 2 566.636 2.862 1 0 KFAFLN NC(=O)c1ccc(-c2cc3sc([C@@H](C(=O)N[C@H]4CCNC4=O)S(=O)(=O)Cc4ccccc4)nc3cc2F)cc1 ZINC000145455065 562837057 /nfs/dbraw/zinc/83/70/57/562837057.db2.gz VBXZAUJIKPKFQS-NZQKXSOJSA-N 0 2 566.636 2.862 1 0 KFAFLN NC(=O)c1ccc(-c2cc3sc(C(C(=O)N[C@H]4CCNC4=O)S(=O)(=O)Cc4ccccc4)nc3cc2F)cc1 ZINC000145455242 562837044 /nfs/dbraw/zinc/83/70/44/562837044.db2.gz VBXZAUJIKPKFQS-REWPJTCUSA-N 0 2 566.636 2.862 1 0 KFAFLN NC(=O)c1ccc(-c2cc3sc([C@H](C(=O)N[C@H]4CCNC4=O)S(=O)(=O)Cc4ccccc4)nc3cc2F)cc1 ZINC000145455242 562837043 /nfs/dbraw/zinc/83/70/43/562837043.db2.gz VBXZAUJIKPKFQS-REWPJTCUSA-N 0 2 566.636 2.862 1 0 KFAFLN COC(=O)CCS(=O)(=O)C(C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000145489370 562837192 /nfs/dbraw/zinc/83/71/92/562837192.db2.gz SHNYWAPJNPWIGZ-NRFANRHFSA-N 0 2 514.585 2.990 1 0 KFAFLN COC(=O)CCS(=O)(=O)[C@@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000145489370 562837191 /nfs/dbraw/zinc/83/71/91/562837191.db2.gz SHNYWAPJNPWIGZ-NRFANRHFSA-N 0 2 514.585 2.990 1 0 KFAFLN COC(=O)CCS(=O)(=O)C(C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000145489566 562837179 /nfs/dbraw/zinc/83/71/79/562837179.db2.gz SHNYWAPJNPWIGZ-OAQYLSRUSA-N 0 2 514.585 2.990 1 0 KFAFLN COC(=O)CCS(=O)(=O)[C@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000145489566 562837178 /nfs/dbraw/zinc/83/71/78/562837178.db2.gz SHNYWAPJNPWIGZ-OAQYLSRUSA-N 0 2 514.585 2.990 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(CCO)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000145499426 562837160 /nfs/dbraw/zinc/83/71/60/562837160.db2.gz GVTLANDEQKNWOY-DEOSSOPVSA-N 0 2 591.708 2.698 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(CCO)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000145499426 562837159 /nfs/dbraw/zinc/83/71/59/562837159.db2.gz GVTLANDEQKNWOY-DEOSSOPVSA-N 0 2 591.708 2.698 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(CCO)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000145499627 562837225 /nfs/dbraw/zinc/83/72/25/562837225.db2.gz GVTLANDEQKNWOY-XMMPIXPASA-N 0 2 591.708 2.698 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(CCO)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000145499627 562837224 /nfs/dbraw/zinc/83/72/24/562837224.db2.gz GVTLANDEQKNWOY-XMMPIXPASA-N 0 2 591.708 2.698 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(CO)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000145500211 562837235 /nfs/dbraw/zinc/83/72/35/562837235.db2.gz KXCUDJXGQCTPOE-QHCPKHFHSA-N 0 2 577.681 2.656 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(CO)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000145500211 562837234 /nfs/dbraw/zinc/83/72/34/562837234.db2.gz KXCUDJXGQCTPOE-QHCPKHFHSA-N 0 2 577.681 2.656 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(CO)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000145500417 562837246 /nfs/dbraw/zinc/83/72/46/562837246.db2.gz KXCUDJXGQCTPOE-HSZRJFAPSA-N 0 2 577.681 2.656 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(CO)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000145500417 562837245 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/nfs/dbraw/zinc/83/72/60/562837260.db2.gz FQAITXRGECDYOU-QGZVFWFLSA-N 0 2 553.581 2.915 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccccc3F)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000145519842 562837259 /nfs/dbraw/zinc/83/72/59/562837259.db2.gz FQAITXRGECDYOU-QGZVFWFLSA-N 0 2 553.581 2.915 1 0 KFAFLN COCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc2s1 ZINC000146068519 562838079 /nfs/dbraw/zinc/83/80/79/562838079.db2.gz CULATTJITQEPMN-NRFANRHFSA-N 0 2 612.752 2.817 1 0 KFAFLN COCCS(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc2s1 ZINC000146068519 562838078 /nfs/dbraw/zinc/83/80/78/562838078.db2.gz CULATTJITQEPMN-NRFANRHFSA-N 0 2 612.752 2.817 1 0 KFAFLN COCCS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc2s1 ZINC000146068699 562838103 /nfs/dbraw/zinc/83/81/03/562838103.db2.gz CULATTJITQEPMN-OAQYLSRUSA-N 0 2 612.752 2.817 1 0 KFAFLN COCCS(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)cc2s1 ZINC000146068699 562838102 /nfs/dbraw/zinc/83/81/02/562838102.db2.gz CULATTJITQEPMN-OAQYLSRUSA-N 0 2 612.752 2.817 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000146075239 562838183 /nfs/dbraw/zinc/83/81/83/562838183.db2.gz DHYULOSNSAMDNF-KRWDZBQOSA-N 0 2 553.581 2.915 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000146075239 562838182 /nfs/dbraw/zinc/83/81/82/562838182.db2.gz DHYULOSNSAMDNF-KRWDZBQOSA-N 0 2 553.581 2.915 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000146075446 562838223 /nfs/dbraw/zinc/83/82/23/562838223.db2.gz DHYULOSNSAMDNF-QGZVFWFLSA-N 0 2 553.581 2.915 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000146075446 562838222 /nfs/dbraw/zinc/83/82/22/562838222.db2.gz DHYULOSNSAMDNF-QGZVFWFLSA-N 0 2 553.581 2.915 1 0 KFAFLN COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)CO)cc2)c1 ZINC000147525753 562839460 /nfs/dbraw/zinc/83/94/60/562839460.db2.gz SDJLJRYFABMMAB-UHFFFAOYSA-N 0 2 523.571 2.648 1 0 KFAFLN COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)c(C[NH+](C)C)n2)c1 ZINC000147968481 562839774 /nfs/dbraw/zinc/83/97/74/562839774.db2.gz MOZQKIROXCTUPJ-UHFFFAOYSA-N 0 2 573.701 2.565 1 0 KFAFLN COc1ccc(CCCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)c(C[NH+](C)C)n2)c1 ZINC000148529976 562841487 /nfs/dbraw/zinc/84/14/87/562841487.db2.gz WODOGQVXCIUUBL-UHFFFAOYSA-N 0 2 525.635 2.903 1 0 KFAFLN O=c1c2c(nc3[nH]nc([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n31)nc1c(c2-c2ccc(Cl)cc2)CCC/C1=C\c1ccc(Cl)cc1 ZINC000150551602 562844606 /nfs/dbraw/zinc/84/46/06/562844606.db2.gz YTLDBUGETRFBDT-KJYVFFTCSA-N 0 2 624.481 2.925 1 0 KFAFLN O=c1c2c(nc3[nH]nc([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)n31)nc1c(c2-c2ccc(Cl)cc2)CCC/C1=C\c1ccc(Cl)cc1 ZINC000150608337 562848160 /nfs/dbraw/zinc/84/81/60/562848160.db2.gz YTLDBUGETRFBDT-KLMIEEKMSA-N 0 2 624.481 2.925 1 0 KFAFLN COc1ccc(-n2c(O)cc(=O)n(C(=O)COc3ccc(OCC(=O)n4c(=O)cc(O)n(-c5ccc(OC)cc5)c4=S)cc3)c2=S)cc1 ZINC000150611786 562848487 /nfs/dbraw/zinc/84/84/87/562848487.db2.gz HZNIJNVFHZZTOU-UHFFFAOYSA-N 0 2 690.712 2.615 1 0 KFAFLN O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)CNC(=O)OCc4ccccc4)CC3)c(F)cc2c1=O ZINC000169309676 562854443 /nfs/dbraw/zinc/85/44/43/562854443.db2.gz FNQBAOXNZBTEHO-UHFFFAOYSA-N 0 2 522.533 2.749 1 0 KFAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)[C@H](C)NC(=O)OCc4ccccc4)CC3)cc21 ZINC000169309690 562854439 /nfs/dbraw/zinc/85/44/39/562854439.db2.gz CTBKJVYVENAUQU-KRWDZBQOSA-N 0 2 524.549 2.822 1 0 KFAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)[C@@H](C)NC(=O)OCc4ccccc4)CC3)cc21 ZINC000169309691 562854451 /nfs/dbraw/zinc/85/44/51/562854451.db2.gz CTBKJVYVENAUQU-QGZVFWFLSA-N 0 2 524.549 2.822 1 0 KFAFLN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](CCOC4=C(c5ccccc5)C(=O)OC4)CC3)cc21 ZINC000169330490 562858705 /nfs/dbraw/zinc/85/87/05/562858705.db2.gz CEJQNZBABJHJRF-UHFFFAOYSA-N 0 2 521.545 2.965 1 0 KFAFLN COc1ccc(-n2cc(C[NH+](C)C)nn2)cc1C(=O)NCCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000169344544 562861401 /nfs/dbraw/zinc/86/14/01/562861401.db2.gz BOQDDCJRPWRTEM-UHFFFAOYSA-N 0 2 522.650 2.923 1 0 KFAFLN CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169348053 562862112 /nfs/dbraw/zinc/86/21/12/562862112.db2.gz BDOPKJRMCXOBQZ-SETSBSEESA-N 0 2 586.803 2.934 1 0 KFAFLN Cc1ccc([C@H](Nc2c(=O)c(=O)c2Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)C2(C)COC2)o1 ZINC000207335829 562876735 /nfs/dbraw/zinc/87/67/35/562876735.db2.gz YWEPAFKNLSBBBU-NRFANRHFSA-N 0 2 509.968 2.727 1 0 KFAFLN Cc1ccc([C@@H](Nc2c(=O)c(=O)c2Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)C2(C)COC2)o1 ZINC000207335871 562876708 /nfs/dbraw/zinc/87/67/08/562876708.db2.gz YWEPAFKNLSBBBU-OAQYLSRUSA-N 0 2 509.968 2.727 1 0 KFAFLN CCn1cc(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5nccnc54)cc3)CC2)cn1 ZINC000220482845 562878520 /nfs/dbraw/zinc/87/85/20/562878520.db2.gz SRUBOFBAXCHWNM-UHFFFAOYSA-N 0 2 520.615 2.857 1 0 KFAFLN CC1(O)CCN(C(=O)c2cccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)c2)CC1 ZINC000221940215 562879363 /nfs/dbraw/zinc/87/93/63/562879363.db2.gz ONTOCHNNDDFQOM-JOCHJYFZSA-N 0 2 676.761 2.763 1 0 KFAFLN CC1(O)CCN(C(=O)c2cccc(-c3ccc4nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)c2)CC1 ZINC000221940215 562879362 /nfs/dbraw/zinc/87/93/62/562879362.db2.gz ONTOCHNNDDFQOM-JOCHJYFZSA-N 0 2 676.761 2.763 1 0 KFAFLN CC1(O)CCN(C(=O)c2cccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)c2)CC1 ZINC000221940282 562879366 /nfs/dbraw/zinc/87/93/66/562879366.db2.gz ONTOCHNNDDFQOM-QFIPXVFZSA-N 0 2 676.761 2.763 1 0 KFAFLN CC1(O)CCN(C(=O)c2cccc(-c3ccc4nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)c2)CC1 ZINC000221940282 562879365 /nfs/dbraw/zinc/87/93/65/562879365.db2.gz ONTOCHNNDDFQOM-QFIPXVFZSA-N 0 2 676.761 2.763 1 0 KFAFLN Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc3ccccc3)sc2cc1-c1ccc(C(=O)N2CC(C)(O)C2)cc1 ZINC000221947828 562879408 /nfs/dbraw/zinc/87/94/08/562879408.db2.gz CRHDSEBXIRSEMV-AREMUKBSSA-N 0 2 656.808 2.539 1 0 KFAFLN Cc1cc2nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc3ccccc3)sc2cc1-c1ccc(C(=O)N2CC(C)(O)C2)cc1 ZINC000221947828 562879407 /nfs/dbraw/zinc/87/94/07/562879407.db2.gz CRHDSEBXIRSEMV-AREMUKBSSA-N 0 2 656.808 2.539 1 0 KFAFLN Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc3ccccc3)sc2cc1-c1ccc(C(=O)N2CC(C)(O)C2)cc1 ZINC000221947879 562879400 /nfs/dbraw/zinc/87/94/00/562879400.db2.gz CRHDSEBXIRSEMV-SANMLTNESA-N 0 2 656.808 2.539 1 0 KFAFLN Cc1cc2nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc3ccccc3)sc2cc1-c1ccc(C(=O)N2CC(C)(O)C2)cc1 ZINC000221947879 562879399 /nfs/dbraw/zinc/87/93/99/562879399.db2.gz CRHDSEBXIRSEMV-SANMLTNESA-N 0 2 656.808 2.539 1 0 KFAFLN COC1CN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc5ccc(F)cc5)sc4c3)cc2)C1 ZINC000221949811 562879384 /nfs/dbraw/zinc/87/93/84/562879384.db2.gz RSLVWKQORBOMSM-AREMUKBSSA-N 0 2 660.771 2.634 1 0 KFAFLN COC1CN(C(=O)c2ccc(-c3ccc4nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc5ccc(F)cc5)sc4c3)cc2)C1 ZINC000221949811 562879383 /nfs/dbraw/zinc/87/93/83/562879383.db2.gz RSLVWKQORBOMSM-AREMUKBSSA-N 0 2 660.771 2.634 1 0 KFAFLN COC1CN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc5ccc(F)cc5)sc4c3)cc2)C1 ZINC000221949863 562879379 /nfs/dbraw/zinc/87/93/79/562879379.db2.gz RSLVWKQORBOMSM-SANMLTNESA-N 0 2 660.771 2.634 1 0 KFAFLN COC1CN(C(=O)c2ccc(-c3ccc4nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc5ccc(F)cc5)sc4c3)cc2)C1 ZINC000221949863 562879378 /nfs/dbraw/zinc/87/93/78/562879378.db2.gz RSLVWKQORBOMSM-SANMLTNESA-N 0 2 660.771 2.634 1 0 KFAFLN CO[C@H]1CCN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)cc2)C1 ZINC000221952454 562879442 /nfs/dbraw/zinc/87/94/42/562879442.db2.gz IVYYRECVZKVMSW-SIKLNZKXSA-N 0 2 662.734 2.637 1 0 KFAFLN CO[C@H]1CCN(C(=O)c2ccc(-c3ccc4nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)cc2)C1 ZINC000221952454 562879441 /nfs/dbraw/zinc/87/94/41/562879441.db2.gz IVYYRECVZKVMSW-SIKLNZKXSA-N 0 2 662.734 2.637 1 0 KFAFLN CO[C@H]1CCN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)cc2)C1 ZINC000221952515 562879446 /nfs/dbraw/zinc/87/94/46/562879446.db2.gz IVYYRECVZKVMSW-UGKGYDQZSA-N 0 2 662.734 2.637 1 0 KFAFLN CO[C@H]1CCN(C(=O)c2ccc(-c3ccc4nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc4c3)cc2)C1 ZINC000221952515 562879445 /nfs/dbraw/zinc/87/94/45/562879445.db2.gz IVYYRECVZKVMSW-UGKGYDQZSA-N 0 2 662.734 2.637 1 0 KFAFLN CC(C)S(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2cc(C(F)(F)F)c(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1 ZINC000221957528 562879429 /nfs/dbraw/zinc/87/94/29/562879429.db2.gz NNTCOWMPRPPKBD-JOCHJYFZSA-N 0 2 662.734 2.724 1 0 KFAFLN CC(C)S(=O)(=O)[C@H](C(=O)NCCS(N)(=O)=O)c1nc2cc(C(F)(F)F)c(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1 ZINC000221957528 562879428 /nfs/dbraw/zinc/87/94/28/562879428.db2.gz NNTCOWMPRPPKBD-JOCHJYFZSA-N 0 2 662.734 2.724 1 0 KFAFLN CC(C)S(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2cc(C(F)(F)F)c(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1 ZINC000221957582 562879410 /nfs/dbraw/zinc/87/94/10/562879410.db2.gz NNTCOWMPRPPKBD-QFIPXVFZSA-N 0 2 662.734 2.724 1 0 KFAFLN CC(C)S(=O)(=O)[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2cc(C(F)(F)F)c(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1 ZINC000221957582 562879409 /nfs/dbraw/zinc/87/94/09/562879409.db2.gz NNTCOWMPRPPKBD-QFIPXVFZSA-N 0 2 662.734 2.724 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(C(=O)N4CC(F)(F)C4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000221977329 562879425 /nfs/dbraw/zinc/87/94/25/562879425.db2.gz CRZKATQUPWKZOS-LJQANCHMSA-N 0 2 654.661 2.867 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cccc(C(=O)N4CC(F)(F)C4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000221977329 562879424 /nfs/dbraw/zinc/87/94/24/562879424.db2.gz CRZKATQUPWKZOS-LJQANCHMSA-N 0 2 654.661 2.867 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(C(=O)N4CC(F)(F)C4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000221977383 562879440 /nfs/dbraw/zinc/87/94/40/562879440.db2.gz CRZKATQUPWKZOS-IBGZPJMESA-N 0 2 654.661 2.867 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cccc(C(=O)N4CC(F)(F)C4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000221977383 562879439 /nfs/dbraw/zinc/87/94/39/562879439.db2.gz CRZKATQUPWKZOS-IBGZPJMESA-N 0 2 654.661 2.867 1 0 KFAFLN COCCNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4cccc(F)c4)sc3c2)cc1 ZINC000221993624 562879478 /nfs/dbraw/zinc/87/94/78/562879478.db2.gz VGBCCGRGVHRKID-RUZDIDTESA-N 0 2 648.760 2.539 1 0 KFAFLN COCCNC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4cccc(F)c4)sc3c2)cc1 ZINC000221993624 562879477 /nfs/dbraw/zinc/87/94/77/562879477.db2.gz VGBCCGRGVHRKID-RUZDIDTESA-N 0 2 648.760 2.539 1 0 KFAFLN COCCNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4cccc(F)c4)sc3c2)cc1 ZINC000221993690 562879487 /nfs/dbraw/zinc/87/94/87/562879487.db2.gz VGBCCGRGVHRKID-VWLOTQADSA-N 0 2 648.760 2.539 1 0 KFAFLN COCCNC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4cccc(F)c4)sc3c2)cc1 ZINC000221993690 562879486 /nfs/dbraw/zinc/87/94/86/562879486.db2.gz VGBCCGRGVHRKID-VWLOTQADSA-N 0 2 648.760 2.539 1 0 KFAFLN CN(C)C(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1F ZINC000222076935 562879552 /nfs/dbraw/zinc/87/95/52/562879552.db2.gz HGZLNSJXHMTLSI-LJQANCHMSA-N 0 2 624.660 2.617 1 0 KFAFLN CN(C)C(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1F ZINC000222076935 562879551 /nfs/dbraw/zinc/87/95/51/562879551.db2.gz HGZLNSJXHMTLSI-LJQANCHMSA-N 0 2 624.660 2.617 1 0 KFAFLN CN(C)C(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1F ZINC000222076986 562879521 /nfs/dbraw/zinc/87/95/21/562879521.db2.gz HGZLNSJXHMTLSI-IBGZPJMESA-N 0 2 624.660 2.617 1 0 KFAFLN CN(C)C(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)CCC(F)(F)F)sc3c2)cc1F ZINC000222076986 562879520 /nfs/dbraw/zinc/87/95/20/562879520.db2.gz HGZLNSJXHMTLSI-IBGZPJMESA-N 0 2 624.660 2.617 1 0 KFAFLN COCCNC(=O)c1ccc(-c2cc3sc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)C(C)C)nc3cc2C(F)(F)F)cc1 ZINC000222077247 562879525 /nfs/dbraw/zinc/87/95/25/562879525.db2.gz CMDAMYPATGGNFR-OAQYLSRUSA-N 0 2 650.723 2.627 1 0 KFAFLN COCCNC(=O)c1ccc(-c2cc3sc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)C(C)C)nc3cc2C(F)(F)F)cc1 ZINC000222077247 562879524 /nfs/dbraw/zinc/87/95/24/562879524.db2.gz CMDAMYPATGGNFR-OAQYLSRUSA-N 0 2 650.723 2.627 1 0 KFAFLN COCCNC(=O)c1ccc(-c2cc3sc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)C(C)C)nc3cc2C(F)(F)F)cc1 ZINC000222077313 562879554 /nfs/dbraw/zinc/87/95/54/562879554.db2.gz CMDAMYPATGGNFR-NRFANRHFSA-N 0 2 650.723 2.627 1 0 KFAFLN COCCNC(=O)c1ccc(-c2cc3sc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)C(C)C)nc3cc2C(F)(F)F)cc1 ZINC000222077313 562879553 /nfs/dbraw/zinc/87/95/53/562879553.db2.gz CMDAMYPATGGNFR-NRFANRHFSA-N 0 2 650.723 2.627 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000222078706 562879580 /nfs/dbraw/zinc/87/95/80/562879580.db2.gz FGZQXHCRUDJFLA-AREMUKBSSA-N 0 2 660.771 2.636 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000222078706 562879579 /nfs/dbraw/zinc/87/95/79/562879579.db2.gz FGZQXHCRUDJFLA-AREMUKBSSA-N 0 2 660.771 2.636 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000222078765 562879570 /nfs/dbraw/zinc/87/95/70/562879570.db2.gz FGZQXHCRUDJFLA-SANMLTNESA-N 0 2 660.771 2.636 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000222078765 562879569 /nfs/dbraw/zinc/87/95/69/562879569.db2.gz FGZQXHCRUDJFLA-SANMLTNESA-N 0 2 660.771 2.636 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(C(=O)N4CC(F)C4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222080843 562879576 /nfs/dbraw/zinc/87/95/76/562879576.db2.gz FACUJSFNEGSUMZ-HXUWFJFHSA-N 0 2 636.671 2.570 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cccc(C(=O)N4CC(F)C4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222080843 562879575 /nfs/dbraw/zinc/87/95/75/562879575.db2.gz FACUJSFNEGSUMZ-HXUWFJFHSA-N 0 2 636.671 2.570 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cccc(C(=O)N4CC(F)C4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222080894 562879578 /nfs/dbraw/zinc/87/95/78/562879578.db2.gz FACUJSFNEGSUMZ-FQEVSTJZSA-N 0 2 636.671 2.570 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cccc(C(=O)N4CC(F)C4)c3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222080894 562879577 /nfs/dbraw/zinc/87/95/77/562879577.db2.gz FACUJSFNEGSUMZ-FQEVSTJZSA-N 0 2 636.671 2.570 1 0 KFAFLN Cn1cc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4cccc(C(F)(F)F)c4)sc3c2)ccc1=O ZINC000222083972 562879647 /nfs/dbraw/zinc/87/96/47/562879647.db2.gz PFSYXMHRVRAHRP-QFIPXVFZSA-N 0 2 628.676 2.742 1 0 KFAFLN Cn1cc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4cccc(C(F)(F)F)c4)sc3c2)ccc1=O ZINC000222083972 562879646 /nfs/dbraw/zinc/87/96/46/562879646.db2.gz PFSYXMHRVRAHRP-QFIPXVFZSA-N 0 2 628.676 2.742 1 0 KFAFLN Cn1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1=O ZINC000222084053 562879661 /nfs/dbraw/zinc/87/96/61/562879661.db2.gz OETPTJJPOANJDK-JOCHJYFZSA-N 0 2 644.675 2.621 1 0 KFAFLN Cn1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1=O ZINC000222084053 562879660 /nfs/dbraw/zinc/87/96/60/562879660.db2.gz OETPTJJPOANJDK-JOCHJYFZSA-N 0 2 644.675 2.621 1 0 KFAFLN Cn1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1=O ZINC000222084099 562879644 /nfs/dbraw/zinc/87/96/44/562879644.db2.gz OETPTJJPOANJDK-QFIPXVFZSA-N 0 2 644.675 2.621 1 0 KFAFLN Cn1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1=O ZINC000222084099 562879643 /nfs/dbraw/zinc/87/96/43/562879643.db2.gz OETPTJJPOANJDK-QFIPXVFZSA-N 0 2 644.675 2.621 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cc[nH]c(=O)c3F)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000222084190 562879663 /nfs/dbraw/zinc/87/96/63/562879663.db2.gz XBAJJTCSWHQBOD-HXUWFJFHSA-N 0 2 648.638 2.750 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3cc[nH]c(=O)c3F)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000222084190 562879662 /nfs/dbraw/zinc/87/96/62/562879662.db2.gz XBAJJTCSWHQBOD-HXUWFJFHSA-N 0 2 648.638 2.750 1 0 KFAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cc[nH]c(=O)c3F)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000222084245 562879636 /nfs/dbraw/zinc/87/96/36/562879636.db2.gz XBAJJTCSWHQBOD-FQEVSTJZSA-N 0 2 648.638 2.750 1 0 KFAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3cc[nH]c(=O)c3F)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000222084245 562879635 /nfs/dbraw/zinc/87/96/35/562879635.db2.gz XBAJJTCSWHQBOD-FQEVSTJZSA-N 0 2 648.638 2.750 1 0 KFAFLN CC(C)(O)CNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1 ZINC000222118159 562879723 /nfs/dbraw/zinc/87/97/23/562879723.db2.gz BCWIXGYEASZWCG-RUZDIDTESA-N 0 2 662.787 2.664 1 0 KFAFLN CC(C)(O)CNC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1 ZINC000222118159 562879722 /nfs/dbraw/zinc/87/97/22/562879722.db2.gz BCWIXGYEASZWCG-RUZDIDTESA-N 0 2 662.787 2.664 1 0 KFAFLN CC(C)(O)CNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1 ZINC000222118218 562879712 /nfs/dbraw/zinc/87/97/12/562879712.db2.gz BCWIXGYEASZWCG-VWLOTQADSA-N 0 2 662.787 2.664 1 0 KFAFLN CC(C)(O)CNC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1 ZINC000222118218 562879711 /nfs/dbraw/zinc/87/97/11/562879711.db2.gz BCWIXGYEASZWCG-VWLOTQADSA-N 0 2 662.787 2.664 1 0 KFAFLN COCCNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1 ZINC000222119243 562879710 /nfs/dbraw/zinc/87/97/10/562879710.db2.gz GYPQOQAKDYFLOY-RUZDIDTESA-N 0 2 648.760 2.539 1 0 KFAFLN COCCNC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(F)cc4)sc3c2)cc1 ZINC000222119243 562879709 /nfs/dbraw/zinc/87/97/09/562879709.db2.gz 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