smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000000881796 551556015 /nfs/dbraw/zinc/55/60/15/551556015.db2.gz DIDGGYJWABGFTB-UHFFFAOYSA-N 0 3 534.613 4.049 40 0 KIABHN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)Nc3ccccc3C(=O)OC)cc2c1 ZINC000000928164 551580957 /nfs/dbraw/zinc/58/09/57/551580957.db2.gz QCAKXHYVTXEOAA-UHFFFAOYSA-N 0 3 508.644 4.008 40 0 KIABHN CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)Nc3ccc(OC)cc3OC)cc2c1 ZINC000000928168 551580929 /nfs/dbraw/zinc/58/09/29/551580929.db2.gz FTGIQHLZVWCPBS-UHFFFAOYSA-N 0 3 510.660 4.239 40 0 KIABHN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000001362012 551648175 /nfs/dbraw/zinc/64/81/75/551648175.db2.gz FPGQAPNGEXIHTP-GDLZYMKVSA-N 0 3 525.701 4.414 40 0 KIABHN Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1C ZINC000001381709 551658314 /nfs/dbraw/zinc/65/83/14/551658314.db2.gz XCRAAKLBLAGCRN-LJAQVGFWSA-N 0 3 525.701 4.414 40 0 KIABHN Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1C ZINC000001381710 551658272 /nfs/dbraw/zinc/65/82/72/551658272.db2.gz XCRAAKLBLAGCRN-GDLZYMKVSA-N 0 3 525.701 4.414 40 0 KIABHN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc12 ZINC000001381768 551658649 /nfs/dbraw/zinc/65/86/49/551658649.db2.gz ZJDHBJIKYHEHTQ-LJAQVGFWSA-N 0 3 525.701 4.414 40 0 KIABHN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc12 ZINC000001381770 551658688 /nfs/dbraw/zinc/65/86/88/551658688.db2.gz ZJDHBJIKYHEHTQ-GDLZYMKVSA-N 0 3 525.701 4.414 40 0 KIABHN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000001382261 551659671 /nfs/dbraw/zinc/65/96/71/551659671.db2.gz WOVRMSWQTXWHQS-LJAQVGFWSA-N 0 3 525.701 4.359 40 0 KIABHN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000001382265 551659745 /nfs/dbraw/zinc/65/97/45/551659745.db2.gz WOVRMSWQTXWHQS-GDLZYMKVSA-N 0 3 525.701 4.359 40 0 KIABHN COc1cc2c(cc1OC)[C@@H]1C[N@H+](C)CC[C@@H]1N=C2c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001493454 551683051 /nfs/dbraw/zinc/68/30/51/551683051.db2.gz FVZJIAUYFDQQKJ-DQEYMECFSA-N 0 3 505.640 4.452 40 0 in-man KIABHN COc1cc2c(cc1OC)[C@@H]1C[N@@H+](C)CC[C@@H]1N=C2c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001493454 551683049 /nfs/dbraw/zinc/68/30/49/551683049.db2.gz FVZJIAUYFDQQKJ-DQEYMECFSA-N 0 3 505.640 4.452 40 0 in-man KIABHN O=C(Nc1ccc(C2=NCCN2)c(Cl)c1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)c(Cl)c2)cc1 ZINC000001689095 551689335 /nfs/dbraw/zinc/68/93/35/551689335.db2.gz WOHUTKXLKZRWGP-UHFFFAOYSA-N 0 3 521.408 4.198 40 0 KIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC(C)=O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000002253931 551802107 /nfs/dbraw/zinc/80/21/07/551802107.db2.gz QTWAQYZUGKGOGG-NSVAZKTRSA-N 0 3 546.576 4.469 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000002409216 552113188 /nfs/dbraw/zinc/11/31/88/552113188.db2.gz PVXCIJCXQOHYBV-OTWHNJEPSA-N 0 3 526.592 4.132 40 0 KIABHN CN(C)CCNC(=O)C[C@@H]1c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222344 552450941 /nfs/dbraw/zinc/45/09/41/552450941.db2.gz MGBNBPXSHDFBDQ-CVMQZHLPSA-N 0 3 570.800 4.176 40 0 biogenic,in-vitro KIABHN Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NCc3ccccc3)c3ccncc3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000006281128 552576979 /nfs/dbraw/zinc/57/69/79/552576979.db2.gz FRMWQSWMVLLJLL-YTTGMZPUSA-N 0 3 604.715 4.187 40 0 KIABHN Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NCc3ccccc3)c3ccncc3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000006281131 552576973 /nfs/dbraw/zinc/57/69/73/552576973.db2.gz FRMWQSWMVLLJLL-JGCGQSQUSA-N 0 3 604.715 4.187 40 0 KIABHN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000008299167 1064277780 /nfs/dbraw/zinc/27/77/80/1064277780.db2.gz STXQGRSONBUOHJ-PFBJBMPXSA-N 0 3 521.621 4.368 40 0 biogenic,in-vitro KIABHN COC(=O)c1cccc(NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nn2C)c1 ZINC000008635359 553105018 /nfs/dbraw/zinc/10/50/18/553105018.db2.gz NYLMGPCWICZNRH-AMDXRBSFSA-N 0 3 532.714 4.104 40 0 biogenic,in-vitro KIABHN COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(OC)c(OC)c3)nn2C)cc1 ZINC000008635919 560210567 /nfs/dbraw/zinc/21/05/67/560210567.db2.gz IRBVKYZHXKQVBS-ZEYPLWLESA-N 0 3 505.619 4.112 40 0 biogenic,in-vitro KIABHN COC(=O)c1cccc(NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3OC)nn2C)c1 ZINC000008636179 553105216 /nfs/dbraw/zinc/10/52/16/553105216.db2.gz VDCVFKSBDNHIPE-ZEYPLWLESA-N 0 3 519.671 4.047 40 0 biogenic,in-vitro KIABHN COC(=O)c1cccc(NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)c1 ZINC000008636185 553105194 /nfs/dbraw/zinc/10/51/94/553105194.db2.gz QBAQRSAKQVTJRJ-NMNUPHIUSA-N 0 3 507.635 4.177 40 0 biogenic,in-vitro KIABHN CCN1CCC(C(=O)NC2CCCCC2)(N(Cc2cccs2)C(=O)CCC(=O)Nc2cc(C)on2)CC1 ZINC000008951550 553193829 /nfs/dbraw/zinc/19/38/29/553193829.db2.gz CPMWMSRAGPAHIP-UHFFFAOYSA-N 0 3 529.707 4.095 40 0 KIABHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2C(=O)N1c1ccc2ccccc2c1 ZINC000008997559 553197694 /nfs/dbraw/zinc/19/76/94/553197694.db2.gz RRWLTOGIHVVQEA-HFLBTKGNSA-N 0 3 511.541 4.315 40 0 KIABHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2C(=O)N1c1ccc2ccccc2c1 ZINC000008997561 553197755 /nfs/dbraw/zinc/19/77/55/553197755.db2.gz RRWLTOGIHVVQEA-HPQIJTKRSA-N 0 3 511.541 4.315 40 0 KIABHN COc1ccc(OC)c(C(=O)C2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009087824 553208685 /nfs/dbraw/zinc/20/86/85/553208685.db2.gz DKZLILOJMLTBJU-NSBPXKJOSA-N 0 3 512.537 4.405 40 0 KIABHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009087825 553208759 /nfs/dbraw/zinc/20/87/59/553208759.db2.gz DKZLILOJMLTBJU-KMFVSHEXSA-N 0 3 512.537 4.405 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000009290888 553234475 /nfs/dbraw/zinc/23/44/75/553234475.db2.gz VOPAODULPIWLMY-NXCFDTQHSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000009479955 553272642 /nfs/dbraw/zinc/27/26/42/553272642.db2.gz LLLAMHWQRICLGC-PLXFJCCSSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC)c(OC)c3OC)[C@H]2C1=O ZINC000009480143 553272634 /nfs/dbraw/zinc/27/26/34/553272634.db2.gz JPJFIDXHBGUPFE-PLXFJCCSSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H]3C2=O)cc1 ZINC000009498055 553274735 /nfs/dbraw/zinc/27/47/35/553274735.db2.gz YKRKUYRLGMJTTO-MZKUHISZSA-N 0 3 504.539 4.162 40 0 KIABHN O=C(/C=C\c1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000013719843 553486634 /nfs/dbraw/zinc/48/66/34/553486634.db2.gz RAURUSFBVQLAPW-KGEFDYHRSA-N 0 3 505.014 4.016 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000013752204 553488061 /nfs/dbraw/zinc/48/80/61/553488061.db2.gz CQNRCEDYKJDBLO-ACRUOGEOSA-N 0 3 520.563 4.071 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000013804942 553491560 /nfs/dbraw/zinc/49/15/60/553491560.db2.gz LLLAMHWQRICLGC-UMFSSWHCSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC)c(OC)c3OC)[C@H]2C1=O ZINC000013805035 553491736 /nfs/dbraw/zinc/49/17/36/553491736.db2.gz JPJFIDXHBGUPFE-UMFSSWHCSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]3C2=O)cc1 ZINC000013805366 553491803 /nfs/dbraw/zinc/49/18/03/553491803.db2.gz YKRKUYRLGMJTTO-USZFVNFHSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)c1 ZINC000013806324 553491794 /nfs/dbraw/zinc/49/17/94/553491794.db2.gz XYHHXMUJFRMXPM-ZNZIZOMTSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000013810720 553492522 /nfs/dbraw/zinc/49/25/22/553492522.db2.gz VOPAODULPIWLMY-GSDHBNRESA-N 0 3 504.539 4.162 40 0 KIABHN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](Cc3ccc(O)cc3)N[C@@]23C(=O)Nc2c3cc(C)cc2C)c1 ZINC000015972615 553547789 /nfs/dbraw/zinc/54/77/89/553547789.db2.gz WBBGCEBGWUJPMT-VNHZXFAYSA-N 0 3 501.583 4.033 40 0 KIABHN O=C(NCCN1CCCCC1)Nc1ccc(Cc2ccc(NC(=O)NCCN3CCCCC3)cc2)cc1 ZINC000016401920 553562831 /nfs/dbraw/zinc/56/28/31/553562831.db2.gz GSBSCDYWFBZFQS-UHFFFAOYSA-N 0 3 506.695 4.492 40 0 KIABHN CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688440 553573082 /nfs/dbraw/zinc/57/30/82/553573082.db2.gz SNFZUINTRXRYDY-UHFFFAOYSA-N 0 3 512.861 4.486 40 0 KIABHN CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688573 553573139 /nfs/dbraw/zinc/57/31/39/553573139.db2.gz AMKCPTFDGKSNCZ-UHFFFAOYSA-N 0 3 514.797 4.109 40 0 KIABHN CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OCc1ccccc1Cl ZINC000016688666 553573240 /nfs/dbraw/zinc/57/32/40/553573240.db2.gz KDDOSWCULSHLTH-UHFFFAOYSA-N 0 3 512.861 4.486 40 0 KIABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)c1 ZINC000017778332 553599660 /nfs/dbraw/zinc/59/96/60/553599660.db2.gz WMXVNNCFPVXEDE-UMFSSWHCSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)c1 ZINC000018058285 553602487 /nfs/dbraw/zinc/60/24/87/553602487.db2.gz XYHHXMUJFRMXPM-NXCFDTQHSA-N 0 3 504.539 4.162 40 0 KIABHN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941319 553643484 /nfs/dbraw/zinc/64/34/84/553643484.db2.gz NDAHBFBBCAJWKA-HHHXNRCGSA-N 0 3 515.637 4.050 40 0 KIABHN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941320 553643444 /nfs/dbraw/zinc/64/34/44/553643444.db2.gz NDAHBFBBCAJWKA-MHZLTWQESA-N 0 3 515.637 4.050 40 0 KIABHN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941387 553643966 /nfs/dbraw/zinc/64/39/66/553643966.db2.gz MMUCIZATGMKKFL-MUUNZHRXSA-N 0 3 511.674 4.165 40 0 KIABHN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941388 553644040 /nfs/dbraw/zinc/64/40/40/553644040.db2.gz MMUCIZATGMKKFL-NDEPHWFRSA-N 0 3 511.674 4.165 40 0 KIABHN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941389 553643975 /nfs/dbraw/zinc/64/39/75/553643975.db2.gz WSSPEAXZRLSWHG-MUUNZHRXSA-N 0 3 529.664 4.304 40 0 KIABHN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941390 553643896 /nfs/dbraw/zinc/64/38/96/553643896.db2.gz WSSPEAXZRLSWHG-NDEPHWFRSA-N 0 3 529.664 4.304 40 0 KIABHN Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c12 ZINC000019941544 553644818 /nfs/dbraw/zinc/64/48/18/553644818.db2.gz HTNBXSJZSFCLFH-HHHXNRCGSA-N 0 3 515.637 4.050 40 0 KIABHN Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c12 ZINC000019941545 553644750 /nfs/dbraw/zinc/64/47/50/553644750.db2.gz HTNBXSJZSFCLFH-MHZLTWQESA-N 0 3 515.637 4.050 40 0 KIABHN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941612 553645207 /nfs/dbraw/zinc/64/52/07/553645207.db2.gz BRUAEDBUSBBLCD-MUUNZHRXSA-N 0 3 511.674 4.219 40 0 KIABHN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941613 553645305 /nfs/dbraw/zinc/64/53/05/553645305.db2.gz BRUAEDBUSBBLCD-NDEPHWFRSA-N 0 3 511.674 4.219 40 0 KIABHN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941614 553645235 /nfs/dbraw/zinc/64/52/35/553645235.db2.gz PSKUQIAFDAODCQ-MUUNZHRXSA-N 0 3 529.664 4.359 40 0 KIABHN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000019941615 553645264 /nfs/dbraw/zinc/64/52/64/553645264.db2.gz PSKUQIAFDAODCQ-NDEPHWFRSA-N 0 3 529.664 4.359 40 0 KIABHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(Cc3ccc4c(c3)OCO4)c3nc4ccccc4n32)cc1 ZINC000019962006 553648979 /nfs/dbraw/zinc/64/89/79/553648979.db2.gz FCYGELIYRFLWKG-JOCHJYFZSA-N 0 3 512.522 4.058 40 0 KIABHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(Cc3ccc4c(c3)OCO4)c3nc4ccccc4n32)cc1 ZINC000019962008 553649010 /nfs/dbraw/zinc/64/90/10/553649010.db2.gz FCYGELIYRFLWKG-QFIPXVFZSA-N 0 3 512.522 4.058 40 0 KIABHN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020079994 553677610 /nfs/dbraw/zinc/67/76/10/553677610.db2.gz HRWACVAYYDIJJF-AREMUKBSSA-N 0 3 505.667 4.068 40 0 KIABHN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020079997 553677641 /nfs/dbraw/zinc/67/76/41/553677641.db2.gz HRWACVAYYDIJJF-SANMLTNESA-N 0 3 505.667 4.068 40 0 KIABHN COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2c1 ZINC000020080199 553678083 /nfs/dbraw/zinc/67/80/83/553678083.db2.gz BGIOFTHNIWAYNU-AREMUKBSSA-N 0 3 505.667 4.068 40 0 KIABHN COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2c1 ZINC000020080202 553678067 /nfs/dbraw/zinc/67/80/67/553678067.db2.gz BGIOFTHNIWAYNU-SANMLTNESA-N 0 3 505.667 4.068 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020080445 553678626 /nfs/dbraw/zinc/67/86/26/553678626.db2.gz CFPUGSPHFYYOJF-HHHXNRCGSA-N 0 3 519.694 4.458 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020080448 553678876 /nfs/dbraw/zinc/67/88/76/553678876.db2.gz CFPUGSPHFYYOJF-MHZLTWQESA-N 0 3 519.694 4.458 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020080464 553678792 /nfs/dbraw/zinc/67/87/92/553678792.db2.gz FWFDLTYTFWKEDD-MUUNZHRXSA-N 0 3 527.673 4.001 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020080467 553678865 /nfs/dbraw/zinc/67/88/65/553678865.db2.gz FWFDLTYTFWKEDD-NDEPHWFRSA-N 0 3 527.673 4.001 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020080470 553678860 /nfs/dbraw/zinc/67/88/60/553678860.db2.gz QTGUNVPOFAUTFQ-AREMUKBSSA-N 0 3 505.667 4.068 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020080473 553678891 /nfs/dbraw/zinc/67/88/91/553678891.db2.gz QTGUNVPOFAUTFQ-SANMLTNESA-N 0 3 505.667 4.068 40 0 KIABHN COc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1OC ZINC000020080633 553679152 /nfs/dbraw/zinc/67/91/52/553679152.db2.gz DGNLOYRDNWLAIW-HHHXNRCGSA-N 0 3 535.693 4.077 40 0 KIABHN COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2cc1OC ZINC000020080636 553679098 /nfs/dbraw/zinc/67/90/98/553679098.db2.gz DGNLOYRDNWLAIW-MHZLTWQESA-N 0 3 535.693 4.077 40 0 KIABHN Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c12 ZINC000020098172 553686744 /nfs/dbraw/zinc/68/67/44/553686744.db2.gz MIZHFQWULPDYCN-MUUNZHRXSA-N 0 3 511.674 4.105 40 0 KIABHN Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c12 ZINC000020098174 553686837 /nfs/dbraw/zinc/68/68/37/553686837.db2.gz MIZHFQWULPDYCN-NDEPHWFRSA-N 0 3 511.674 4.105 40 0 KIABHN Cc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2c1C ZINC000020098183 553686768 /nfs/dbraw/zinc/68/67/68/553686768.db2.gz MMTPZGAWYRTVDV-GDLZYMKVSA-N 0 3 525.701 4.414 40 0 KIABHN Cc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)c(=O)[nH]c2c1C ZINC000020098185 553686812 /nfs/dbraw/zinc/68/68/12/553686812.db2.gz MMTPZGAWYRTVDV-LJAQVGFWSA-N 0 3 525.701 4.414 40 0 KIABHN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000020109295 553692348 /nfs/dbraw/zinc/69/23/48/553692348.db2.gz FPGQAPNGEXIHTP-LJAQVGFWSA-N 0 3 525.701 4.414 40 0 KIABHN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000020461248 553655828 /nfs/dbraw/zinc/65/58/28/553655828.db2.gz BUXJYKZJGOSEAG-UHFFFAOYSA-N 0 3 533.694 4.415 40 0 KIABHN CC(C)(C)OC(=O)C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 ZINC000020462846 291829167 /nfs/dbraw/zinc/82/91/67/291829167.db2.gz QRTRIGMIEYUPQO-GMAHTHKFSA-N 0 3 528.097 4.152 40 0 biogenic,in-vitro KIABHN CC(C)(C)OC(=O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 ZINC000020462850 291829163 /nfs/dbraw/zinc/82/91/63/291829163.db2.gz SORRSARXWSGCOA-ZEQRLZLVSA-N 0 3 513.727 4.306 40 0 biogenic,in-vitro KIABHN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020483244 553658265 /nfs/dbraw/zinc/65/82/65/553658265.db2.gz OBWZPLBNKZYKAK-UHFFFAOYSA-N 0 3 505.640 4.290 40 0 KIABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020637063 553681476 /nfs/dbraw/zinc/68/14/76/553681476.db2.gz DXAJVDDXWDHYCE-CLJLJLNGSA-N 0 3 531.056 4.453 40 0 KIABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@@H]1c1ccc(Cl)cc1 ZINC000020637065 553681443 /nfs/dbraw/zinc/68/14/43/553681443.db2.gz DXAJVDDXWDHYCE-IZZNHLLZSA-N 0 3 531.056 4.453 40 0 KIABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@H]1c1ccc(Cl)cc1 ZINC000020637068 553681368 /nfs/dbraw/zinc/68/13/68/553681368.db2.gz DXAJVDDXWDHYCE-FTJBHMTQSA-N 0 3 531.056 4.453 40 0 KIABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@H]1c1ccc(Cl)cc1 ZINC000020637071 553681448 /nfs/dbraw/zinc/68/14/48/553681448.db2.gz DXAJVDDXWDHYCE-UIOOFZCWSA-N 0 3 531.056 4.453 40 0 KIABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020674634 553686698 /nfs/dbraw/zinc/68/66/98/553686698.db2.gz FTQCYOUCKMQYPV-KAYWLYCHSA-N 0 3 510.638 4.108 40 0 KIABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020674637 553686736 /nfs/dbraw/zinc/68/67/36/553686736.db2.gz FTQCYOUCKMQYPV-RRPNLBNLSA-N 0 3 510.638 4.108 40 0 KIABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020674640 553686727 /nfs/dbraw/zinc/68/67/27/553686727.db2.gz FTQCYOUCKMQYPV-SXOMAYOGSA-N 0 3 510.638 4.108 40 0 KIABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020674643 553686629 /nfs/dbraw/zinc/68/66/29/553686629.db2.gz FTQCYOUCKMQYPV-SVBPBHIXSA-N 0 3 510.638 4.108 40 0 KIABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801386 553698367 /nfs/dbraw/zinc/69/83/67/553698367.db2.gz PLYNRXNQHZUWSV-KAYWLYCHSA-N 0 3 510.638 4.108 40 0 KIABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801390 553698403 /nfs/dbraw/zinc/69/84/03/553698403.db2.gz PLYNRXNQHZUWSV-RRPNLBNLSA-N 0 3 510.638 4.108 40 0 KIABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801394 553698393 /nfs/dbraw/zinc/69/83/93/553698393.db2.gz PLYNRXNQHZUWSV-SXOMAYOGSA-N 0 3 510.638 4.108 40 0 KIABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801398 553698338 /nfs/dbraw/zinc/69/83/38/553698338.db2.gz PLYNRXNQHZUWSV-SVBPBHIXSA-N 0 3 510.638 4.108 40 0 KIABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000020801639 553698288 /nfs/dbraw/zinc/69/82/88/553698288.db2.gz FFAVEONRTMZKMS-CLJLJLNGSA-N 0 3 531.056 4.453 40 0 KIABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@@H]1c1cccc(Cl)c1 ZINC000020801642 553698265 /nfs/dbraw/zinc/69/82/65/553698265.db2.gz FFAVEONRTMZKMS-IZZNHLLZSA-N 0 3 531.056 4.453 40 0 KIABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000020801645 553698307 /nfs/dbraw/zinc/69/83/07/553698307.db2.gz FFAVEONRTMZKMS-FTJBHMTQSA-N 0 3 531.056 4.453 40 0 KIABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N[C@H]1c1cccc(Cl)c1 ZINC000020801648 553698297 /nfs/dbraw/zinc/69/82/97/553698297.db2.gz FFAVEONRTMZKMS-UIOOFZCWSA-N 0 3 531.056 4.453 40 0 KIABHN O=C(CC1C(=O)N(CCc2c[nH]c3ccccc23)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000021005876 553705553 /nfs/dbraw/zinc/70/55/53/553705553.db2.gz OXIJTTWEGAYEIE-XMMPIXPASA-N 0 3 507.550 4.448 40 0 KIABHN O=C(CC1C(=O)N(CCc2c[nH]c3ccccc23)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000021005878 553705677 /nfs/dbraw/zinc/70/56/77/553705677.db2.gz OXIJTTWEGAYEIE-DEOSSOPVSA-N 0 3 507.550 4.448 40 0 KIABHN COc1ccc2[nH]cc(CCN3C(=O)C(CC(=O)Nc4ccc5c(c4)OCO5)n4c5ccccc5nc43)c2c1 ZINC000021005909 553705665 /nfs/dbraw/zinc/70/56/65/553705665.db2.gz UASRSFCEFQVWHN-XMMPIXPASA-N 0 3 523.549 4.414 40 0 KIABHN COc1ccc2[nH]cc(CCN3C(=O)C(CC(=O)Nc4ccc5c(c4)OCO5)n4c5ccccc5nc43)c2c1 ZINC000021005911 553705682 /nfs/dbraw/zinc/70/56/82/553705682.db2.gz UASRSFCEFQVWHN-DEOSSOPVSA-N 0 3 523.549 4.414 40 0 KIABHN CCOc1c(Br)cc(Br)cc1CNCCSc1nnnn1-c1ccccc1 ZINC000022108081 553726086 /nfs/dbraw/zinc/72/60/86/553726086.db2.gz GOXXLSHXWYQCQQ-UHFFFAOYSA-N 0 3 513.259 4.468 40 0 KIABHN COc1c(Br)cc(Br)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000022109121 553726578 /nfs/dbraw/zinc/72/65/78/553726578.db2.gz ISIFNGOUTGVZSB-UHFFFAOYSA-N 0 3 513.259 4.468 40 0 KIABHN COc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022109158 553726570 /nfs/dbraw/zinc/72/65/70/553726570.db2.gz CYNMMSWMPGHIKL-UHFFFAOYSA-N 0 3 512.861 4.486 40 0 KIABHN COc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCc1ccccc1Cl ZINC000022109165 553726479 /nfs/dbraw/zinc/72/64/79/553726479.db2.gz CQFPYXKJQMHVTQ-UHFFFAOYSA-N 0 3 512.861 4.486 40 0 KIABHN CCOc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000022109245 553726610 /nfs/dbraw/zinc/72/66/10/553726610.db2.gz DWLNXXPIONNNQH-UHFFFAOYSA-N 0 3 510.433 4.361 40 0 KIABHN CCOc1cc(CNCCCSc2nnnn2C)cc(Br)c1OCc1ccccc1F ZINC000022109251 553726593 /nfs/dbraw/zinc/72/65/93/553726593.db2.gz POEKOINPURYLEG-UHFFFAOYSA-N 0 3 510.433 4.361 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000034849562 554021271 /nfs/dbraw/zinc/02/12/71/554021271.db2.gz CQNRCEDYKJDBLO-NJYVYQBISA-N 0 3 520.563 4.071 40 0 KIABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)c1 ZINC000035351702 554043915 /nfs/dbraw/zinc/04/39/15/554043915.db2.gz WMXVNNCFPVXEDE-ZEVJAHDQSA-N 0 3 504.539 4.162 40 0 KIABHN COCCN1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(COc4ccc(F)cc4)o3)C[C@H]2C(C)C)CC1 ZINC000035442716 554054901 /nfs/dbraw/zinc/05/49/01/554054901.db2.gz OTVWHRKXLJOLMW-FXSPECFOSA-N 0 3 500.659 4.449 40 0 biogenic,in-vitro KIABHN CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C ZINC000039716290 554279648 /nfs/dbraw/zinc/27/96/48/554279648.db2.gz SXNJFOWDRLKDSF-XKHVUIRMSA-N 0 3 618.827 4.267 40 0 in-vitro KIABHN C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3cccc4ncsc43)o2)c1 ZINC000040891759 554291775 /nfs/dbraw/zinc/29/17/75/554291775.db2.gz KODBDIFHMBDFOH-LBPRGKRZSA-N 0 3 513.505 4.181 40 0 in-vitro KIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2)CC1 ZINC000059247873 554386891 /nfs/dbraw/zinc/38/68/91/554386891.db2.gz YHAXZDQCJVFHCK-UHFFFAOYSA-N 0 3 528.847 4.213 40 0 KIABHN C[C@@H]1CCCCN1C[C@]1(C)COc2c(I)cc(I)cc2C1=O ZINC000059662015 554420417 /nfs/dbraw/zinc/42/04/17/554420417.db2.gz ZVUFQZOPMBJZNT-PIGZYNQJSA-N 0 3 525.168 4.352 40 0 KIABHN C[C@H]1CCCCN1C[C@]1(C)COc2c(I)cc(I)cc2C1=O ZINC000059662020 554420438 /nfs/dbraw/zinc/42/04/38/554420438.db2.gz ZVUFQZOPMBJZNT-APPDUMDISA-N 0 3 525.168 4.352 40 0 KIABHN COc1ccc2[nH]cc(CCN3C(=O)C(CC(=O)Nc4ccc5c(c4)OCCO5)n4c5ccccc5nc43)c2c1 ZINC000059781687 554429922 /nfs/dbraw/zinc/42/99/22/554429922.db2.gz JOURGMRZWOCGJP-RUZDIDTESA-N 0 3 537.576 4.457 40 0 KIABHN COc1ccc2[nH]cc(CCN3C(=O)C(CC(=O)Nc4ccc5c(c4)OCCO5)n4c5ccccc5nc43)c2c1 ZINC000059781693 554429949 /nfs/dbraw/zinc/42/99/49/554429949.db2.gz JOURGMRZWOCGJP-VWLOTQADSA-N 0 3 537.576 4.457 40 0 KIABHN CC[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CCN(C)[C@@H](CC)COC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000059825013 554431823 /nfs/dbraw/zinc/43/18/23/554431823.db2.gz ZKSIPEYIAHUPNM-ZEQRLZLVSA-N 0 3 620.740 4.173 40 0 in-man KIABHN COc1ccccc1OCCNC[C@H](O)CN(CCOc1ccccc1OC)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000067664996 554533329 /nfs/dbraw/zinc/53/33/29/554533329.db2.gz UGTOXYJJIRJNNA-SVBPBHIXSA-N 0 3 629.754 4.489 40 0 in-vitro KIABHN COc1ccccc1OCCNC[C@@H](O)CN(CCOc1ccccc1OC)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000067664998 554533236 /nfs/dbraw/zinc/53/32/36/554533236.db2.gz UGTOXYJJIRJNNA-SXOMAYOGSA-N 0 3 629.754 4.489 40 0 in-vitro KIABHN N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F ZINC000068267814 554538712 /nfs/dbraw/zinc/53/87/12/554538712.db2.gz KRNAOFGYEFKHPB-ANJVHQHFSA-N 0 3 534.567 4.490 40 0 investigational KIABHN CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1 ZINC000072131098 553642270 /nfs/dbraw/zinc/64/22/70/553642270.db2.gz LGNQXYJOAQQMEH-RIVMDFSBSA-N 0 3 583.795 4.202 40 0 in-vitro KIABHN COc1cc2[nH]c(=O)c(CNc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)cc2c(OC)c1OC ZINC000072336300 553650853 /nfs/dbraw/zinc/65/08/53/553650853.db2.gz CTIUVFVBXDHTRK-UHFFFAOYSA-N 0 3 514.626 4.488 40 0 KIABHN CC[C@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C ZINC000095569677 553704807 /nfs/dbraw/zinc/70/48/07/553704807.db2.gz SXNJFOWDRLKDSF-ZRZZZMTFSA-N 0 3 618.827 4.267 40 0 in-vitro KIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC(C)=O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000097952482 553816038 /nfs/dbraw/zinc/81/60/38/553816038.db2.gz QTWAQYZUGKGOGG-REUBFRLUSA-N 0 3 546.576 4.469 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000097952983 553818486 /nfs/dbraw/zinc/81/84/86/553818486.db2.gz PVXCIJCXQOHYBV-FHWLQOOXSA-N 0 3 526.592 4.132 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000097953917 553820094 /nfs/dbraw/zinc/82/00/94/553820094.db2.gz FUPVOUTWILPMRV-FKBYEOEOSA-N 0 3 534.590 4.379 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000097953918 553819946 /nfs/dbraw/zinc/81/99/46/553819946.db2.gz FUPVOUTWILPMRV-BDTNDASRSA-N 0 3 534.590 4.379 40 0 KIABHN Cn1nccc1C(=O)Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000097954749 553825429 /nfs/dbraw/zinc/82/54/29/553825429.db2.gz DZKDLLHIHSJKOT-SDHOMARFSA-N 0 3 528.952 4.344 40 0 KIABHN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000097954989 553827071 /nfs/dbraw/zinc/82/70/71/553827071.db2.gz GDRJJHSRUREXAI-QKDODKLFSA-N 0 3 538.560 4.007 40 0 KIABHN Cc1ccc(Cn2c3nnc(CCC(=O)NC4CCN(Cc5ccccc5)CC4)n3c3ccccc3c2=O)cc1 ZINC000097986848 554025984 /nfs/dbraw/zinc/02/59/84/554025984.db2.gz RVLFLDKIJLLWAA-UHFFFAOYSA-N 0 3 534.664 4.114 40 0 KIABHN Cc1ccc(Cn2c3nnc(CCC(=O)NCCCN(Cc4ccco4)C(C)C)n3c3ccccc3c2=O)cc1 ZINC000097986852 554026292 /nfs/dbraw/zinc/02/62/92/554026292.db2.gz VICAEZCWOCJRPJ-UHFFFAOYSA-N 0 3 540.668 4.343 40 0 KIABHN OCC(CO)N[C@H]1C[C@](O)(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000100038916 554191533 /nfs/dbraw/zinc/19/15/33/554191533.db2.gz DYSHUNINHUTCLX-ILOBPARPSA-N 0 3 627.778 4.406 40 0 KIABHN COc1ccccc1OCCNC[C@@H](O)CN(CCOc1ccccc1OC)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000100070637 554201380 /nfs/dbraw/zinc/20/13/80/554201380.db2.gz UGTOXYJJIRJNNA-KAYWLYCHSA-N 0 3 629.754 4.489 40 0 in-vitro KIABHN COc1ccccc1OCCNC[C@H](O)CN(CCOc1ccccc1OC)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000100070640 554201395 /nfs/dbraw/zinc/20/13/95/554201395.db2.gz UGTOXYJJIRJNNA-RRPNLBNLSA-N 0 3 629.754 4.489 40 0 in-vitro KIABHN OCC(CO)N[C@@H]1C[C@](O)(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000100071742 554201749 /nfs/dbraw/zinc/20/17/49/554201749.db2.gz DYSHUNINHUTCLX-DSVGPAFQSA-N 0 3 627.778 4.406 40 0 in-vitro KIABHN OCC(CO)N[C@H]1C[C@](O)(COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000100071745 554201737 /nfs/dbraw/zinc/20/17/37/554201737.db2.gz DYSHUNINHUTCLX-VNACGOBZSA-N 0 3 627.778 4.406 40 0 in-vitro KIABHN OCC(CO)N[C@@H]1C[C@](O)(COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000100071747 554201766 /nfs/dbraw/zinc/20/17/66/554201766.db2.gz DYSHUNINHUTCLX-HRTJLHCRSA-N 0 3 627.778 4.406 40 0 in-vitro KIABHN OCC(CO)N[C@H]1C[C@](O)(COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000100071749 554201688 /nfs/dbraw/zinc/20/16/88/554201688.db2.gz DYSHUNINHUTCLX-PKCPJPHHSA-N 0 3 627.778 4.406 40 0 in-vitro KIABHN CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C ZINC000100071772 554202041 /nfs/dbraw/zinc/20/20/41/554202041.db2.gz SXNJFOWDRLKDSF-FULLSBAXSA-N 0 3 618.827 4.267 40 0 investigational KIABHN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000100088450 554210033 /nfs/dbraw/zinc/21/00/33/554210033.db2.gz NEZSBYADIRNURI-UHFFFAOYSA-N 0 3 555.144 4.411 40 0 KIABHN O=C(CN1CC2CC(C1)c1cccc(=O)n1C2)Nc1c(Br)cc(Br)cc1Br ZINC000100242171 554260733 /nfs/dbraw/zinc/26/07/33/554260733.db2.gz HEULSSTUQOQQNP-VXGBXAGGSA-N 0 3 560.084 4.194 40 0 KIABHN NC(=O)c1nsc(C(=O)N([C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)c1N ZINC000100275521 554271889 /nfs/dbraw/zinc/27/18/89/554271889.db2.gz NUUQWMQPOQBGRM-MHZLTWQESA-N 0 3 592.741 4.260 40 0 KIABHN NC(=O)c1nsc(C(=O)N([C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)c1N ZINC000100275526 554271914 /nfs/dbraw/zinc/27/19/14/554271914.db2.gz NUUQWMQPOQBGRM-HHHXNRCGSA-N 0 3 592.741 4.260 40 0 KIABHN Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000100288977 554282151 /nfs/dbraw/zinc/28/21/51/554282151.db2.gz VFPQCDMJVWJWLX-HKBQPEDESA-N 0 3 597.720 4.240 40 0 KIABHN Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)C3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000100288978 554282169 /nfs/dbraw/zinc/28/21/69/554282169.db2.gz VFPQCDMJVWJWLX-WJOKGBTCSA-N 0 3 597.720 4.240 40 0 KIABHN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000100296134 554288787 /nfs/dbraw/zinc/28/87/87/554288787.db2.gz TWIHQKMKCGJESM-LJAQVGFWSA-N 0 3 541.700 4.174 40 0 KIABHN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000100296139 554288834 /nfs/dbraw/zinc/28/88/34/554288834.db2.gz TWIHQKMKCGJESM-GDLZYMKVSA-N 0 3 541.700 4.174 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000100300109 554290611 /nfs/dbraw/zinc/29/06/11/554290611.db2.gz CWLACCUHRNEJLW-NDEPHWFRSA-N 0 3 545.663 4.140 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000100300110 554290600 /nfs/dbraw/zinc/29/06/00/554290600.db2.gz CWLACCUHRNEJLW-MUUNZHRXSA-N 0 3 545.663 4.140 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000100354064 554332919 /nfs/dbraw/zinc/33/29/19/554332919.db2.gz CDCACBKPSWJBNR-LJAQVGFWSA-N 0 3 541.700 4.196 40 0 KIABHN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1 ZINC000100354068 554332924 /nfs/dbraw/zinc/33/29/24/554332924.db2.gz CDCACBKPSWJBNR-GDLZYMKVSA-N 0 3 541.700 4.196 40 0 KIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)cc(Br)c3OC)cc2)CC1 ZINC000100373991 554358820 /nfs/dbraw/zinc/35/88/20/554358820.db2.gz KDJBTVKZVJLLIT-UHFFFAOYSA-N 0 3 556.324 4.489 40 0 KIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC(C)=O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000101017890 554561066 /nfs/dbraw/zinc/56/10/66/554561066.db2.gz QTWAQYZUGKGOGG-PBWSGDRGSA-N 0 3 546.576 4.469 40 0 KIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC(C)=O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000101017892 554561089 /nfs/dbraw/zinc/56/10/89/554561089.db2.gz QTWAQYZUGKGOGG-GTNKKZTPSA-N 0 3 546.576 4.469 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000101034753 554565338 /nfs/dbraw/zinc/56/53/38/554565338.db2.gz CQNRCEDYKJDBLO-HKBOAZHASA-N 0 3 520.563 4.071 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)c(C(=O)OC)c1C ZINC000101034753 554565336 /nfs/dbraw/zinc/56/53/36/554565336.db2.gz CQNRCEDYKJDBLO-HKBOAZHASA-N 0 3 520.563 4.071 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000101034754 554565363 /nfs/dbraw/zinc/56/53/63/554565363.db2.gz CQNRCEDYKJDBLO-HBMCJLEFSA-N 0 3 520.563 4.071 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)c(C(=O)OC)c1C ZINC000101034754 554565361 /nfs/dbraw/zinc/56/53/61/554565361.db2.gz CQNRCEDYKJDBLO-HBMCJLEFSA-N 0 3 520.563 4.071 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000101039467 554567346 /nfs/dbraw/zinc/56/73/46/554567346.db2.gz PVXCIJCXQOHYBV-QYZOEREBSA-N 0 3 526.592 4.132 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000101039473 554567334 /nfs/dbraw/zinc/56/73/34/554567334.db2.gz PVXCIJCXQOHYBV-QRVBRYPASA-N 0 3 526.592 4.132 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000101069389 554574128 /nfs/dbraw/zinc/57/41/28/554574128.db2.gz FUPVOUTWILPMRV-FSSWDIPSSA-N 0 3 534.590 4.379 40 0 KIABHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000101069395 554574114 /nfs/dbraw/zinc/57/41/14/554574114.db2.gz FUPVOUTWILPMRV-VSKRKVRLSA-N 0 3 534.590 4.379 40 0 KIABHN Cn1nccc1C(=O)Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101161948 554660044 /nfs/dbraw/zinc/66/00/44/554660044.db2.gz DZKDLLHIHSJKOT-DSITVLBTSA-N 0 3 528.952 4.344 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000101204987 554675039 /nfs/dbraw/zinc/67/50/39/554675039.db2.gz LLLAMHWQRICLGC-FXSPECFOSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000101204994 554675023 /nfs/dbraw/zinc/67/50/23/554675023.db2.gz LLLAMHWQRICLGC-ZEVJAHDQSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC)c(OC)c3OC)[C@@H]2C1=O ZINC000101205913 554675769 /nfs/dbraw/zinc/67/57/69/554675769.db2.gz JPJFIDXHBGUPFE-FXSPECFOSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC)c(OC)c3OC)[C@@H]2C1=O ZINC000101205920 554675806 /nfs/dbraw/zinc/67/58/06/554675806.db2.gz JPJFIDXHBGUPFE-ZEVJAHDQSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101209561 554678489 /nfs/dbraw/zinc/67/84/89/554678489.db2.gz YKRKUYRLGMJTTO-GNKBHMEESA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101209570 554678565 /nfs/dbraw/zinc/67/85/65/554678565.db2.gz YKRKUYRLGMJTTO-GSLIJJQTSA-N 0 3 504.539 4.162 40 0 KIABHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000101211537 554679522 /nfs/dbraw/zinc/67/95/22/554679522.db2.gz GDRJJHSRUREXAI-PVHODMMVSA-N 0 3 538.560 4.007 40 0 KIABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)c1 ZINC000101217075 554684503 /nfs/dbraw/zinc/68/45/03/554684503.db2.gz XYHHXMUJFRMXPM-GSDHBNRESA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)c1 ZINC000101217078 554684571 /nfs/dbraw/zinc/68/45/71/554684571.db2.gz XYHHXMUJFRMXPM-CYXNTTPDSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)c1 ZINC000101219223 554686146 /nfs/dbraw/zinc/68/61/46/554686146.db2.gz WMXVNNCFPVXEDE-FXSPECFOSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)c1 ZINC000101219228 554686116 /nfs/dbraw/zinc/68/61/16/554686116.db2.gz WMXVNNCFPVXEDE-PLXFJCCSSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000101225862 554688718 /nfs/dbraw/zinc/68/87/18/554688718.db2.gz VOPAODULPIWLMY-ZNZIZOMTSA-N 0 3 504.539 4.162 40 0 KIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000101225868 554688704 /nfs/dbraw/zinc/68/87/04/554688704.db2.gz VOPAODULPIWLMY-CYXNTTPDSA-N 0 3 504.539 4.162 40 0 KIABHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1cc(C)nn1C ZINC000102762297 555053094 /nfs/dbraw/zinc/05/30/94/555053094.db2.gz GDRJJHSRUREXAI-KWXIBIRDSA-N 0 3 538.560 4.007 40 0 KIABHN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(N[C@H]3Cc3c[nH]c4ccccc34)C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000103517439 555423539 /nfs/dbraw/zinc/42/35/39/555423539.db2.gz CXZLLWJRNCACGI-CLFOAKAGSA-N 0 3 562.626 4.129 40 0 KIABHN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Cc4c[nH]c5ccccc45)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 ZINC000103517441 555423458 /nfs/dbraw/zinc/42/34/58/555423458.db2.gz CXZLLWJRNCACGI-HYHRRZRMSA-N 0 3 562.626 4.129 40 0 KIABHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2C(=O)N1c1ccc2ccccc2c1 ZINC000104180049 571376130 /nfs/dbraw/zinc/37/61/30/571376130.db2.gz RRWLTOGIHVVQEA-BPXGVECKSA-N 0 3 511.541 4.315 40 0 KIABHN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@@H]3C2C(=O)N1c1ccc2ccccc2c1 ZINC000104180054 571376117 /nfs/dbraw/zinc/37/61/17/571376117.db2.gz RRWLTOGIHVVQEA-GCFVYEKYSA-N 0 3 511.541 4.315 40 0 KIABHN CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000105251981 571392400 /nfs/dbraw/zinc/39/24/00/571392400.db2.gz REGVNBBJNAJXGU-UHFFFAOYSA-N 0 3 559.248 4.218 40 0 KIABHN COc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000105345943 571403327 /nfs/dbraw/zinc/40/33/27/571403327.db2.gz GVZXPZOAMRUPLF-UHFFFAOYSA-N 0 3 527.448 4.289 40 0 KIABHN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 ZINC000106133904 571411340 /nfs/dbraw/zinc/41/13/40/571411340.db2.gz YCPWLKBNYNAODH-UHFFFAOYSA-N 0 3 542.297 4.099 40 0 KIABHN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000113631380 571441810 /nfs/dbraw/zinc/44/18/10/571441810.db2.gz WLSBMFOAGFJWMP-UHFFFAOYSA-N 0 3 555.144 4.411 40 0 KIABHN Cc1cn(C(C)C)c2cc(-c3ccc(N4CCNCC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12 ZINC000139850501 571453952 /nfs/dbraw/zinc/45/39/52/571453952.db2.gz OCWAKUTWRJNZGR-UHFFFAOYSA-N 0 3 512.658 4.237 40 0 KIABHN CCCCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCCC)cc([C@H]4N=CCN4)c3)cc2)cc(C2=NCCN2)c1 ZINC000150375272 571466281 /nfs/dbraw/zinc/46/62/81/571466281.db2.gz HWTJCUJVSKDLAX-HKBQPEDESA-N 0 3 650.784 4.273 40 0 KIABHN CCCCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCCC)cc([C@@H]4N=CCN4)c3)cc2)cc(C2=NCCN2)c1 ZINC000150375275 571466338 /nfs/dbraw/zinc/46/63/38/571466338.db2.gz HWTJCUJVSKDLAX-WJOKGBTCSA-N 0 3 650.784 4.273 40 0 KIABHN CC[C@]12C[C@H]3CN(CCc4c5ccccc5[nH]c4[C@@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@@H]4[C@]56CCN5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@]4(O)C(=O)OC)C3)[C@H]1O2 ZINC000169677031 571554548 /nfs/dbraw/zinc/55/45/48/571554548.db2.gz NWWWPBYIUBUKEG-CBUIQVNVSA-N 0 3 808.973 4.355 40 0 KIABHN Cc1ccc(Cn2c3nnc(CCC(=O)NCCCN4CCN(c5cccc(C)c5)[C@@H](C)C4)n3c3ccccc3c2=O)cc1 ZINC000169680257 571556658 /nfs/dbraw/zinc/55/66/58/571556658.db2.gz FERUUEMZBSAESD-MHZLTWQESA-N 0 3 591.760 4.359 40 0 KIABHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1 ZINC000206792055 571572933 /nfs/dbraw/zinc/57/29/33/571572933.db2.gz HSHPBORBOJIXSQ-HARLFGEKSA-N 0 3 564.712 4.068 40 0 investigational KIABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239834 571603821 /nfs/dbraw/zinc/60/38/21/571603821.db2.gz BUMGBHDVEVFQDN-LQWHRVPQSA-N 0 3 515.857 4.264 40 0 KIABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239899 571603769 /nfs/dbraw/zinc/60/37/69/571603769.db2.gz BUMGBHDVEVFQDN-LVCYWYKZSA-N 0 3 515.857 4.264 40 0 KIABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218239966 571603804 /nfs/dbraw/zinc/60/38/04/571603804.db2.gz BUMGBHDVEVFQDN-WFXMLNOXSA-N 0 3 515.857 4.264 40 0 KIABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218240016 571603737 /nfs/dbraw/zinc/60/37/37/571603737.db2.gz BUMGBHDVEVFQDN-BBTUJRGHSA-N 0 3 515.857 4.264 40 0 KIABHN C[C@@H]1CCCCN1C[C@@]1(C)COc2c(I)cc(I)cc2C1=O ZINC000221947497 571604614 /nfs/dbraw/zinc/60/46/14/571604614.db2.gz ZVUFQZOPMBJZNT-DIFFPNOSSA-N 0 3 525.168 4.352 40 0 KIABHN C[C@H]1CCCCN1C[C@@]1(C)COc2c(I)cc(I)cc2C1=O ZINC000221947574 571604610 /nfs/dbraw/zinc/60/46/10/571604610.db2.gz ZVUFQZOPMBJZNT-GTNSWQLSSA-N 0 3 525.168 4.352 40 0 KIABHN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC ZINC000223254896 571451406 /nfs/dbraw/zinc/45/14/06/571451406.db2.gz HJUHUCYHAJVIAD-MOHJPFBDSA-N 0 3 505.571 4.179 40 0 KIABHN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1)S(C)(=O)=O ZINC000223680178 571525706 /nfs/dbraw/zinc/52/57/06/571525706.db2.gz BTCUIZHNBIOISK-UHFFFAOYSA-N 0 3 505.684 4.448 40 0 KIABHN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000224251210 571506525 /nfs/dbraw/zinc/50/65/25/571506525.db2.gz PGNWJIBDOPIDKZ-UHFFFAOYSA-N 0 3 535.710 4.200 40 0 KIABHN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000224356322 571528995 /nfs/dbraw/zinc/52/89/95/571528995.db2.gz SLZCFPKBIHJPRS-UHFFFAOYSA-N 0 3 533.694 4.228 40 0 KIABHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C(=O)N1CCC(C)CC1 ZINC000224784982 571616859 /nfs/dbraw/zinc/61/68/59/571616859.db2.gz SAHVDNDIHBESGQ-UHFFFAOYSA-N 0 3 501.718 4.355 40 0 KIABHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C(=O)N1CCCCCC1 ZINC000224785034 571616871 /nfs/dbraw/zinc/61/68/71/571616871.db2.gz XWXIKKWZKDHPAU-UHFFFAOYSA-N 0 3 501.718 4.499 40 0 KIABHN COc1cccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000224809275 571619178 /nfs/dbraw/zinc/61/91/78/571619178.db2.gz KBUGPSWASMBPBY-UHFFFAOYSA-N 0 3 507.656 4.193 40 0 KIABHN COc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000224809338 571619186 /nfs/dbraw/zinc/61/91/86/571619186.db2.gz RZEBMUGOPOEOTJ-UHFFFAOYSA-N 0 3 507.656 4.193 40 0 KIABHN COc1ccc(OC)c(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000224809538 571619204 /nfs/dbraw/zinc/61/92/04/571619204.db2.gz PXOJZFLVWZYPDM-UHFFFAOYSA-N 0 3 537.682 4.201 40 0 KIABHN COc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000224809670 571619240 /nfs/dbraw/zinc/61/92/40/571619240.db2.gz FOMPMMNQHGZMIN-UHFFFAOYSA-N 0 3 537.682 4.201 40 0 KIABHN COc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000224810504 571619276 /nfs/dbraw/zinc/61/92/76/571619276.db2.gz BXTDAAKRPRKLQM-UHFFFAOYSA-N 0 3 507.656 4.193 40 0 KIABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000224815404 571619675 /nfs/dbraw/zinc/61/96/75/571619675.db2.gz HUVZCJHZSGNXSE-UHFFFAOYSA-N 0 3 518.001 4.427 40 0 KIABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000224816071 571619720 /nfs/dbraw/zinc/61/97/20/571619720.db2.gz KOPNAJDHBWSWSC-UHFFFAOYSA-N 0 3 518.001 4.427 40 0 KIABHN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccccc2)cc1 ZINC000224816343 571619768 /nfs/dbraw/zinc/61/97/68/571619768.db2.gz DAOHBVLQMMEFMW-UHFFFAOYSA-N 0 3 507.656 4.193 40 0 KIABHN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccccc2OC)cc1 ZINC000224818924 571620073 /nfs/dbraw/zinc/62/00/73/571620073.db2.gz ZRLMGCHARCDCNI-UHFFFAOYSA-N 0 3 537.682 4.201 40 0 KIABHN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccc(F)cc2)cc1OC ZINC000224819699 571620116 /nfs/dbraw/zinc/62/01/16/571620116.db2.gz IXAJKORULUJESI-UHFFFAOYSA-N 0 3 555.672 4.341 40 0 KIABHN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccccc2)cc1OC ZINC000224819761 571620092 /nfs/dbraw/zinc/62/00/92/571620092.db2.gz YCFOFCPOZYWVOV-UHFFFAOYSA-N 0 3 537.682 4.201 40 0 KIABHN COc1ccc(OC)c(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000224819971 571620165 /nfs/dbraw/zinc/62/01/65/571620165.db2.gz RGICCZZIPWBUFO-UHFFFAOYSA-N 0 3 597.734 4.219 40 0 KIABHN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1CN1CCCCC1 ZINC000224820043 571620159 /nfs/dbraw/zinc/62/01/59/571620159.db2.gz IFADRZRAGQGFNH-UHFFFAOYSA-N 0 3 553.656 4.095 40 0 KIABHN CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000224820762 571620214 /nfs/dbraw/zinc/62/02/14/571620214.db2.gz BFRUPLQUMBRMGF-UHFFFAOYSA-N 0 3 521.683 4.334 40 0 KIABHN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccc(F)cc2)cc1 ZINC000224821356 571620259 /nfs/dbraw/zinc/62/02/59/571620259.db2.gz YPGKGPOIWYFDCO-UHFFFAOYSA-N 0 3 525.646 4.332 40 0 KIABHN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2)cc1 ZINC000224821859 571620348 /nfs/dbraw/zinc/62/03/48/571620348.db2.gz FGIUKMQVYMROLG-UHFFFAOYSA-N 0 3 507.656 4.436 40 0 KIABHN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2)cc1OC ZINC000224821989 571620311 /nfs/dbraw/zinc/62/03/11/571620311.db2.gz FGMXBBCJQBWVAU-UHFFFAOYSA-N 0 3 537.682 4.445 40 0 KIABHN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3CN3CCCCC3)Oc3ccccc32)cc1 ZINC000224823836 571620536 /nfs/dbraw/zinc/62/05/36/571620536.db2.gz ZKLIWJHDIGGOAF-NDEPHWFRSA-N 0 3 519.667 4.254 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000224823975 571620589 /nfs/dbraw/zinc/62/05/89/571620589.db2.gz SZFFDHVATVLJGY-UHFFFAOYSA-N 0 3 546.737 4.109 40 0 KIABHN COc1ccc(N(CCCC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000224825340 571620733 /nfs/dbraw/zinc/62/07/33/571620733.db2.gz ZHYOOIFNXKYTEH-UHFFFAOYSA-N 0 3 508.084 4.197 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224830388 571621285 /nfs/dbraw/zinc/62/12/85/571621285.db2.gz DVJARZZZOMBKKU-NDEPHWFRSA-N 0 3 519.667 4.086 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000224830434 571621314 /nfs/dbraw/zinc/62/13/14/571621314.db2.gz DVJARZZZOMBKKU-MUUNZHRXSA-N 0 3 519.667 4.086 40 0 KIABHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1C(=O)N1CCCCC1 ZINC000224834117 571621680 /nfs/dbraw/zinc/62/16/80/571621680.db2.gz OOPQBTRYWLDZSG-UHFFFAOYSA-N 0 3 501.718 4.499 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000224835021 571621755 /nfs/dbraw/zinc/62/17/55/571621755.db2.gz ZIHICOUYVZAUJP-UHFFFAOYSA-N 0 3 522.086 4.323 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000224835084 571621740 /nfs/dbraw/zinc/62/17/40/571621740.db2.gz VFKGLYNSKDKQEO-UHFFFAOYSA-N 0 3 504.096 4.184 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000224835152 571621759 /nfs/dbraw/zinc/62/17/59/571621759.db2.gz HOGMFCDVYBHCAB-UHFFFAOYSA-N 0 3 504.096 4.184 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000224835216 571621745 /nfs/dbraw/zinc/62/17/45/571621745.db2.gz NUOKQWAOSHZTPH-UHFFFAOYSA-N 0 3 504.096 4.184 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000224835281 571621796 /nfs/dbraw/zinc/62/17/96/571621796.db2.gz ZOGWUGZFPWSWAU-UHFFFAOYSA-N 0 3 548.547 4.293 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000224835351 571621823 /nfs/dbraw/zinc/62/18/23/571621823.db2.gz IMWGAYGNYCMNJA-UHFFFAOYSA-N 0 3 548.547 4.293 40 0 KIABHN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)O2 ZINC000224838356 571622108 /nfs/dbraw/zinc/62/21/08/571622108.db2.gz SYLPVBJMSMHOIM-NDEPHWFRSA-N 0 3 519.667 4.254 40 0 KIABHN Cc1ccc2c(c1)O[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)CN2S(=O)(=O)c1ccccc1 ZINC000224838422 571622102 /nfs/dbraw/zinc/62/21/02/571622102.db2.gz AWKZPTGTTOBZEZ-MUUNZHRXSA-N 0 3 519.667 4.254 40 0 KIABHN Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccccc1CN1CCCCC1)CN2S(=O)(=O)c1ccccc1 ZINC000224838466 571622064 /nfs/dbraw/zinc/62/20/64/571622064.db2.gz AWKZPTGTTOBZEZ-NDEPHWFRSA-N 0 3 519.667 4.254 40 0 KIABHN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3CN3CCCCC3)Oc3ccc(C)cc32)cc1 ZINC000224839033 571622128 /nfs/dbraw/zinc/62/21/28/571622128.db2.gz HURCOCIRRIUQGX-LJAQVGFWSA-N 0 3 549.693 4.262 40 0 KIABHN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3CN3CCCCC3)Oc3cc(C)ccc32)cc1 ZINC000224839103 571622149 /nfs/dbraw/zinc/62/21/49/571622149.db2.gz GJAOOZUHZXWTFB-LJAQVGFWSA-N 0 3 549.693 4.262 40 0 KIABHN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3CN3CCCCC3)CC2)cc1 ZINC000224841324 571622360 /nfs/dbraw/zinc/62/23/60/571622360.db2.gz ABIRWRQMBZCXOA-UHFFFAOYSA-N 0 3 501.718 4.112 40 0 KIABHN CC[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000224845876 571622697 /nfs/dbraw/zinc/62/26/97/571622697.db2.gz SMOFAOZPEIENMR-QHCPKHFHSA-N 0 3 508.084 4.196 40 0 KIABHN CC[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000224845926 571622710 /nfs/dbraw/zinc/62/27/10/571622710.db2.gz SMOFAOZPEIENMR-HSZRJFAPSA-N 0 3 508.084 4.196 40 0 KIABHN CC[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000224845987 571622703 /nfs/dbraw/zinc/62/27/03/571622703.db2.gz RITXTNMDSSXWEF-QFIPXVFZSA-N 0 3 508.084 4.196 40 0 KIABHN CC[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000224846027 571622750 /nfs/dbraw/zinc/62/27/50/571622750.db2.gz RITXTNMDSSXWEF-JOCHJYFZSA-N 0 3 508.084 4.196 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000224849030 571622890 /nfs/dbraw/zinc/62/28/90/571622890.db2.gz VUIPNFOYYQCVMN-XMMPIXPASA-N 0 3 504.096 4.184 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000224849075 571622888 /nfs/dbraw/zinc/62/28/88/571622888.db2.gz VUIPNFOYYQCVMN-DEOSSOPVSA-N 0 3 504.096 4.184 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000224849132 571622965 /nfs/dbraw/zinc/62/29/65/571622965.db2.gz MSSRNUWKRWXSRC-XMMPIXPASA-N 0 3 504.096 4.184 40 0 KIABHN O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000224849175 571622934 /nfs/dbraw/zinc/62/29/34/571622934.db2.gz MSSRNUWKRWXSRC-DEOSSOPVSA-N 0 3 504.096 4.184 40 0 KIABHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000224852006 571623180 /nfs/dbraw/zinc/62/31/80/571623180.db2.gz FXSRHWWNBNNJOV-UHFFFAOYSA-N 0 3 513.704 4.105 40 0 KIABHN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2CCc3ccccc3C2)cc1OC ZINC000224913337 571629226 /nfs/dbraw/zinc/62/92/26/571629226.db2.gz JBYGFSLGPWDWIZ-MOHJPFBDSA-N 0 3 505.640 4.101 40 0 KIABHN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)S(C)(=O)=O)c1 ZINC000225072445 571644228 /nfs/dbraw/zinc/64/42/28/571644228.db2.gz JAZTUBOYPZSDAA-UHFFFAOYSA-N 0 3 505.684 4.448 40 0 KIABHN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCCNc1cc(C)nc2ccc(C)cc21 ZINC000225230366 571660424 /nfs/dbraw/zinc/66/04/24/571660424.db2.gz MDJJZMVOGZTYKG-UHFFFAOYSA-N 0 3 513.689 4.043 40 0 KIABHN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)ccc1OC ZINC000225289675 571667012 /nfs/dbraw/zinc/66/70/12/571667012.db2.gz ICLPBRKTZXHXNZ-UIOOFZCWSA-N 0 3 514.611 4.038 40 0 KIABHN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)ccc1OC ZINC000225289699 571667038 /nfs/dbraw/zinc/66/70/38/571667038.db2.gz ICLPBRKTZXHXNZ-FTJBHMTQSA-N 0 3 514.611 4.038 40 0 KIABHN COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)ccc1OC ZINC000225289737 571667034 /nfs/dbraw/zinc/66/70/34/571667034.db2.gz ICLPBRKTZXHXNZ-IZZNHLLZSA-N 0 3 514.611 4.038 40 0 KIABHN COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)ccc1OC ZINC000225289765 571667010 /nfs/dbraw/zinc/66/70/10/571667010.db2.gz ICLPBRKTZXHXNZ-CLJLJLNGSA-N 0 3 514.611 4.038 40 0 KIABHN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)ccc1NS(C)(=O)=O ZINC000225447583 571819515 /nfs/dbraw/zinc/81/95/15/571819515.db2.gz SGPGHXWZHNJGCO-ZEQRLZLVSA-N 0 3 504.641 4.124 40 0 KIABHN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)ccc1NS(C)(=O)=O ZINC000225447618 571819373 /nfs/dbraw/zinc/81/93/73/571819373.db2.gz SGPGHXWZHNJGCO-RPWUZVMVSA-N 0 3 504.641 4.124 40 0 KIABHN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)ccc1NS(C)(=O)=O ZINC000225447654 571819472 /nfs/dbraw/zinc/81/94/72/571819472.db2.gz SGPGHXWZHNJGCO-BJKOFHAPSA-N 0 3 504.641 4.124 40 0 KIABHN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)ccc1NS(C)(=O)=O ZINC000225447683 571819421 /nfs/dbraw/zinc/81/94/21/571819421.db2.gz SGPGHXWZHNJGCO-DNQXCXABSA-N 0 3 504.641 4.124 40 0 KIABHN C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4Cc3ccccc3)cc2)CC1 ZINC000225751589 572061102 /nfs/dbraw/zinc/06/11/02/572061102.db2.gz DHADSVMGGFWYAB-UHFFFAOYSA-N 0 3 509.653 4.385 40 0 KIABHN CC[C@H](C)n1ccc2c1cc(-c1ccc(N3CCNCC3)nc1)cc2C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000238790039 572188241 /nfs/dbraw/zinc/18/82/41/572188241.db2.gz HOEUJJYBKPIEJG-NRFANRHFSA-N 0 3 512.658 4.319 40 0 KIABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000252514294 572262087 /nfs/dbraw/zinc/26/20/87/572262087.db2.gz BUMGBHDVEVFQDN-DBXWQHBBSA-N 0 3 515.857 4.264 40 0 KIABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514295 572262117 /nfs/dbraw/zinc/26/21/17/572262117.db2.gz BUMGBHDVEVFQDN-WAOWUJCRSA-N 0 3 515.857 4.264 40 0 KIABHN COc1cc(-c2nn([C@H]3CC[C@H](N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C ZINC000253387967 562881810 /nfs/dbraw/zinc/88/18/10/562881810.db2.gz ZMNWFTYYYCSSTF-SOAUALDESA-N 0 3 621.746 4.476 40 0 in-vivo KIABHN Cc1ccccc1CN1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NCCN2CCCC2)C(=O)C1 ZINC000253409192 572287219 /nfs/dbraw/zinc/28/72/19/572287219.db2.gz ZUELIGMKZDMPBX-JVTSFWJHSA-N 0 3 544.740 4.013 40 0 KIABHN CC(=O)N[C@]12CN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)[C@H]1CN(C(=O)c1cccc(OCCN3CCCC3)c1)CC2 ZINC000257229705 572309141 /nfs/dbraw/zinc/30/91/41/572309141.db2.gz FZEYCHSQJOHGQJ-GOGFDQBKSA-N 0 3 576.738 4.490 40 0 KIABHN CN(C)CCOc1cccc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)c1 ZINC000257233931 572309586 /nfs/dbraw/zinc/30/95/86/572309586.db2.gz GRKLZJARRMCCEJ-GDLZYMKVSA-N 0 3 530.109 4.333 40 0 KIABHN CN(C)CCOc1cccc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)c1 ZINC000257233932 572309573 /nfs/dbraw/zinc/30/95/73/572309573.db2.gz GRKLZJARRMCCEJ-LJAQVGFWSA-N 0 3 530.109 4.333 40 0 KIABHN COc1ccccc1[C@@H]1CN(C(=O)C2(Cc3ccccc3F)CCN(C)CC2)C[C@]12CCCCC(=O)N2 ZINC000257261566 572312230 /nfs/dbraw/zinc/31/22/30/572312230.db2.gz LHXFZCZMNWPQFK-QABMSTFYSA-N 0 3 507.650 4.144 40 0 KIABHN CCCn1ncc(CN2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1C ZINC000257268853 572312836 /nfs/dbraw/zinc/31/28/36/572312836.db2.gz MNMWFVQJMYDMFG-MUUNZHRXSA-N 0 3 516.130 4.389 40 0 KIABHN CCCn1ncc(CN2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1C ZINC000257268854 572312789 /nfs/dbraw/zinc/31/27/89/572312789.db2.gz MNMWFVQJMYDMFG-NDEPHWFRSA-N 0 3 516.130 4.389 40 0 KIABHN CCc1nc(C)c(CN2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)[nH]1 ZINC000257275484 572313399 /nfs/dbraw/zinc/31/33/99/572313399.db2.gz NPPIGDVTQMVEAA-HHHXNRCGSA-N 0 3 502.103 4.068 40 0 KIABHN CCc1nc(C)c(CN2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)[nH]1 ZINC000257275485 572313368 /nfs/dbraw/zinc/31/33/68/572313368.db2.gz NPPIGDVTQMVEAA-MHZLTWQESA-N 0 3 502.103 4.068 40 0 KIABHN COc1ccccc1[C@@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCN(C)CC2)C[C@]12CCCCC(=O)N2 ZINC000257281911 572314012 /nfs/dbraw/zinc/31/40/12/572314012.db2.gz ORKVGVRZCVYIPG-SETSBSEESA-N 0 3 507.650 4.144 40 0 KIABHN Cc1cc(CN2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)n1C ZINC000257307666 572316601 /nfs/dbraw/zinc/31/66/01/572316601.db2.gz SZTAXNJOXZRJRM-MUUNZHRXSA-N 0 3 501.115 4.429 40 0 KIABHN Cc1cc(CN2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c(C)n1C ZINC000257307667 572316637 /nfs/dbraw/zinc/31/66/37/572316637.db2.gz SZTAXNJOXZRJRM-NDEPHWFRSA-N 0 3 501.115 4.429 40 0 KIABHN CC(=O)N[C@]12CN(C(=O)c3ccc(OCCN4CCCC4)cc3)[C@H](c3ccccc3)[C@H]1CN(C(=O)OC(C)(C)C)CC2 ZINC000257315511 572317388 /nfs/dbraw/zinc/31/73/88/572317388.db2.gz VBSVCSYPXFIHLW-GOGFDQBKSA-N 0 3 576.738 4.490 40 0 KIABHN CC1CCN(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(=O)N3CCCCC3)C2)CC1 ZINC000257319838 572317870 /nfs/dbraw/zinc/31/78/70/572317870.db2.gz VUFXWGDGGNNJLX-URXFXBBRSA-N 0 3 520.512 4.180 40 0 KIABHN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3CN3CCCCC3)Oc3cc(C)ccc32)cc1 ZINC000260894915 571812990 /nfs/dbraw/zinc/81/29/90/571812990.db2.gz GJAOOZUHZXWTFB-GDLZYMKVSA-N 0 3 549.693 4.262 40 0 KIABHN COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3CN3CCCCC3)Oc3ccc(C)cc32)cc1 ZINC000260895065 571812819 /nfs/dbraw/zinc/81/28/19/571812819.db2.gz HURCOCIRRIUQGX-GDLZYMKVSA-N 0 3 549.693 4.262 40 0 KIABHN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1ccccc1CN1CCCCC1)O2 ZINC000260902601 571825691 /nfs/dbraw/zinc/82/56/91/571825691.db2.gz SYLPVBJMSMHOIM-MUUNZHRXSA-N 0 3 519.667 4.254 40 0 KIABHN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3CN3CCCCC3)Oc3ccccc32)cc1 ZINC000260903987 571826767 /nfs/dbraw/zinc/82/67/67/571826767.db2.gz ZKLIWJHDIGGOAF-MUUNZHRXSA-N 0 3 519.667 4.254 40 0 KIABHN CN(C)CCNc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328958382 572146116 /nfs/dbraw/zinc/14/61/16/572146116.db2.gz ANGCKZVKPONHBW-UHFFFAOYSA-N 0 3 510.358 4.234 40 0 KIABHN CN(C)CCNc1nc(Nc2ccccc2I)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328959432 572146555 /nfs/dbraw/zinc/14/65/55/572146555.db2.gz AUCBSWOBRUTOBT-UHFFFAOYSA-N 0 3 543.331 4.208 40 0 KIABHN CN(C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328973742 572147555 /nfs/dbraw/zinc/14/75/55/572147555.db2.gz FDKSHILVRNOCES-UHFFFAOYSA-N 0 3 502.541 4.596 40 0 KIABHN CN(C)CCNc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328989607 572148081 /nfs/dbraw/zinc/14/80/81/572148081.db2.gz IKANHSYTKZSEFY-UHFFFAOYSA-N 0 3 510.358 4.234 40 0 KIABHN CN(C)CCNc1nc(Nc2ccc(I)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329005752 572148822 /nfs/dbraw/zinc/14/88/22/572148822.db2.gz KYTLJAQQTFUKRN-UHFFFAOYSA-N 0 3 561.321 4.347 40 0 KIABHN CN(C)CCCNc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000329013612 572149044 /nfs/dbraw/zinc/14/90/44/572149044.db2.gz MRJPJAGCWCEPSN-UHFFFAOYSA-N 0 3 525.557 4.614 40 0 KIABHN CN(C)CCNc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329032746 572150210 /nfs/dbraw/zinc/15/02/10/572150210.db2.gz QPPJLVMHAGVGEO-UHFFFAOYSA-N 0 3 510.358 4.234 40 0 KIABHN