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ZINC000676022486 1075326953 /nfs/dbraw/zinc/32/69/53/1075326953.db2.gz ZPMACZXXLBEZJW-MSOLQXFVSA-N -1 0 404.488 1.623 20 0 HDADRM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000509376712 1075327247 /nfs/dbraw/zinc/32/72/47/1075327247.db2.gz BYZSYZDVDJRDFH-UHFFFAOYSA-N -1 0 416.228 1.813 20 0 HDADRM C[C@@H](C(=O)NCCc1ccc(OCC(=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000676026895 1075328746 /nfs/dbraw/zinc/32/87/46/1075328746.db2.gz VUYPDWPUHDFFLB-ZDUSSCGKSA-N -1 0 409.435 1.810 20 0 HDADRM CCN1C(=S)N[C@H](c2csnn2)C(=C([O-])c2ccccn2)[C@@]1(O)C(F)(F)F ZINC000731422181 1075329090 /nfs/dbraw/zinc/32/90/90/1075329090.db2.gz ULQXWQXSYXYYQD-MISXGVKJSA-N -1 0 417.438 1.934 20 0 HDADRM O=S(=O)([N-]c1ccnn1-c1ccncc1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000676028379 1075329530 /nfs/dbraw/zinc/32/95/30/1075329530.db2.gz SHARWJZQTJVJSM-UHFFFAOYSA-N -1 0 419.488 1.509 20 0 HDADRM CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])CCCC3)c1 ZINC000509377922 1075330988 /nfs/dbraw/zinc/33/09/88/1075330988.db2.gz ZYGFBPIHHNCRLT-UHFFFAOYSA-N -1 0 424.500 1.973 20 0 HDADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)cc1OC ZINC000731408932 1075333680 /nfs/dbraw/zinc/33/36/80/1075333680.db2.gz CVGUHYGPTZCYGX-SLTAFYQDSA-N -1 0 424.519 1.936 20 0 HDADRM COCCN1C(=O)N[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)C(C(=O)N(C)C)=C1C ZINC000731424891 1075346301 /nfs/dbraw/zinc/34/63/01/1075346301.db2.gz XRCCFJZDGBMBCH-DYVFJYSZSA-N -1 0 405.451 1.613 20 0 HDADRM COC(=O)C1=C(C)N(CCCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(S(C)(=O)=O)cc1 ZINC000731434181 1075349616 /nfs/dbraw/zinc/34/96/16/1075349616.db2.gz JMXJDGAHKFZBBO-QGZVFWFLSA-N -1 0 424.475 1.858 20 0 HDADRM COc1cc([C@H]2NC(=S)N(C3CC3)C(C)=C2C(=O)N(C)C)ccc1OCC(=O)[O-] ZINC000731433878 1075349638 /nfs/dbraw/zinc/34/96/38/1075349638.db2.gz XOPZWCPIVFQZRQ-GOSISDBHSA-N -1 0 419.503 1.914 20 0 HDADRM COc1cc([C@@H]2NC(=S)N(C3CC3)C(C)=C2C(=O)N(C)C)ccc1OCC(=O)[O-] ZINC000731433879 1075349955 /nfs/dbraw/zinc/34/99/55/1075349955.db2.gz XOPZWCPIVFQZRQ-SFHVURJKSA-N -1 0 419.503 1.914 20 0 HDADRM Cc1c(C(=O)[N-]N2C(=O)c3ccccc3C2=O)nnn1-c1ccc2c(c1)OCCO2 ZINC000731456251 1075363613 /nfs/dbraw/zinc/36/36/13/1075363613.db2.gz FEMVXXKSONVDLF-UHFFFAOYSA-N -1 0 405.370 1.288 20 0 HDADRM COC(=O)c1c(F)cc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1F ZINC000509384807 1075374255 /nfs/dbraw/zinc/37/42/55/1075374255.db2.gz GYIHZGRASIWYIP-UHFFFAOYSA-N -1 0 400.359 1.660 20 0 HDADRM CS(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000543658210 1075384416 /nfs/dbraw/zinc/38/44/16/1075384416.db2.gz OEQJRTQKFNPEHB-UHFFFAOYSA-N -1 0 401.487 1.991 20 0 HDADRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1nnn(-c2cccc3cccnc32)c1C ZINC000731547150 1075385902 /nfs/dbraw/zinc/38/59/02/1075385902.db2.gz RESCMDVQEQCPIO-UHFFFAOYSA-N -1 0 412.431 1.847 20 0 HDADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(N3C(=O)CNC3=O)c2C)c1C ZINC000509388315 1075416308 /nfs/dbraw/zinc/41/63/08/1075416308.db2.gz PTMRYRMRCRLPJG-UHFFFAOYSA-N -1 0 409.443 1.824 20 0 HDADRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1 ZINC000509387961 1075417799 /nfs/dbraw/zinc/41/77/99/1075417799.db2.gz WVMFPNWVHCFPKO-UHFFFAOYSA-N -1 0 412.265 1.982 20 0 HDADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1n[nH]cc1Br ZINC000731632031 1075422708 /nfs/dbraw/zinc/42/27/08/1075422708.db2.gz OJWAYESGBCUARM-UHFFFAOYSA-N -1 0 408.281 1.877 20 0 HDADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000676217502 1075435494 /nfs/dbraw/zinc/43/54/94/1075435494.db2.gz XMNJJEFGXFMWMN-LSDHHAIUSA-N -1 0 412.483 1.940 20 0 HDADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000676217841 1075435516 /nfs/dbraw/zinc/43/55/16/1075435516.db2.gz XBAPMSBKXKIIOP-GFCCVEGCSA-N -1 0 401.510 1.079 20 0 HDADRM Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC[C@H](CC(=O)[O-])C3)CC2)c1 ZINC000676218532 1075435898 /nfs/dbraw/zinc/43/58/98/1075435898.db2.gz QSWYCJGHYFGENE-QGZVFWFLSA-N -1 0 423.535 1.160 20 0 HDADRM O=C([O-])C[C@H]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000676218533 1075435953 /nfs/dbraw/zinc/43/59/53/1075435953.db2.gz QVJRTOGZTXLANK-CYBMUJFWSA-N -1 0 400.522 1.788 20 0 HDADRM COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(C)C)cc1 ZINC000676218441 1075436330 /nfs/dbraw/zinc/43/63/30/1075436330.db2.gz OHBWNLZPHYCLPJ-KSSFIOAISA-N -1 0 412.508 1.711 20 0 HDADRM CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)nc2)c1 ZINC000509391966 1075439679 /nfs/dbraw/zinc/43/96/79/1075439679.db2.gz MIBGAZOSRRIZKS-UHFFFAOYSA-N -1 0 412.493 1.012 20 0 HDADRM CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676215939 1075439866 /nfs/dbraw/zinc/43/98/66/1075439866.db2.gz RTKKZCCEKBVHQE-ROUUACIJSA-N -1 0 420.487 1.455 20 0 HDADRM CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000676216143 1075440350 /nfs/dbraw/zinc/44/03/50/1075440350.db2.gz PJTRDLXZRHBKIQ-KBPBESRZSA-N -1 0 413.268 1.516 20 0 HDADRM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000676216708 1075440526 /nfs/dbraw/zinc/44/05/26/1075440526.db2.gz VIAXTBPBXSRLGC-LBPRGKRZSA-N -1 0 400.229 1.273 20 0 HDADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000804123176 1075443138 /nfs/dbraw/zinc/44/31/38/1075443138.db2.gz PGQGVDIFIXQVKY-HNNXBMFYSA-N -1 0 408.418 1.494 20 0 HDADRM C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676230856 1075448995 /nfs/dbraw/zinc/44/89/95/1075448995.db2.gz FDNDKAQZCBJRAD-TVQRCGJNSA-N -1 0 401.341 1.164 20 0 HDADRM COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000676232254 1075449898 /nfs/dbraw/zinc/44/98/98/1075449898.db2.gz YVMHMVINBSEGGT-NHYWBVRUSA-N -1 0 420.384 1.843 20 0 HDADRM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)[C@H]1CN(C)CCO1 ZINC000676259747 1075456959 /nfs/dbraw/zinc/45/69/59/1075456959.db2.gz PMPNQTDEZXEMKC-XJKSGUPXSA-N -1 0 409.533 1.998 20 0 HDADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cn(C)cc(Br)c1=O ZINC000543666009 1075481255 /nfs/dbraw/zinc/48/12/55/1075481255.db2.gz URXJNWMAWJVFJK-UHFFFAOYSA-N -1 0 401.238 1.955 20 0 HDADRM O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC000804129736 1075499247 /nfs/dbraw/zinc/49/92/47/1075499247.db2.gz PCRFPSRKFBMDQZ-KRWDZBQOSA-N -1 0 422.489 1.201 20 0 HDADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 ZINC000731767088 1075502431 /nfs/dbraw/zinc/50/24/31/1075502431.db2.gz PUQBVRMIKDHECD-UHFFFAOYSA-N -1 0 415.402 1.693 20 0 HDADRM CCc1cccc2c(CC(=O)[N-]S(=O)(=O)N3CCC(C(=O)OC)CC3)c[nH]c21 ZINC000731768072 1075502757 /nfs/dbraw/zinc/50/27/57/1075502757.db2.gz AARFOTHYVIOXSR-UHFFFAOYSA-N -1 0 407.492 1.519 20 0 HDADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731768562 1075502772 /nfs/dbraw/zinc/50/27/72/1075502772.db2.gz NNEMJMBXCORINJ-UHFFFAOYSA-N -1 0 417.487 1.685 20 0 HDADRM COC(=O)c1ccc(CCC(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000731769760 1075503925 /nfs/dbraw/zinc/50/39/25/1075503925.db2.gz DIULRUFBDLZHFU-UHFFFAOYSA-N 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C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2nnc3ccccc3c2O)C1=O ZINC000731864545 1075558478 /nfs/dbraw/zinc/55/84/78/1075558478.db2.gz WFMWJIMVJZPJSQ-OAQYLSRUSA-N -1 0 405.414 1.924 20 0 HDADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000731918513 1075570003 /nfs/dbraw/zinc/57/00/03/1075570003.db2.gz GBJHPYUDRCDXJX-HNNXBMFYSA-N -1 0 409.464 1.037 20 0 HDADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000731919495 1075570921 /nfs/dbraw/zinc/57/09/21/1075570921.db2.gz WZYANWOOHLFRQS-RISCZKNCSA-N -1 0 404.872 1.496 20 0 HDADRM C[C@H](CCO)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000676535755 1075578966 /nfs/dbraw/zinc/57/89/66/1075578966.db2.gz QTHKDQIHEPBAOH-CYBMUJFWSA-N -1 0 406.460 1.759 20 0 HDADRM C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)C(=O)NCc1nnn[n-]1 ZINC000676551135 1075584147 /nfs/dbraw/zinc/58/41/47/1075584147.db2.gz FPXLNPMEDHSICM-QMMMGPOBSA-N -1 0 409.237 1.567 20 0 HDADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCOCC1 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1075205931 /nfs/dbraw/zinc/20/59/31/1075205931.db2.gz VDVOBIKFAVFDIL-UHFFFAOYSA-N -1 0 411.443 1.526 20 0 HDADRM CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)S(C)(=O)=O ZINC000675622191 1075241831 /nfs/dbraw/zinc/24/18/31/1075241831.db2.gz AJGDBJISJAEYAM-UHFFFAOYSA-N -1 0 417.534 1.497 20 0 HDADRM C[C@H](CC(=O)[O-])NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000509370052 1075273179 /nfs/dbraw/zinc/27/31/79/1075273179.db2.gz FREBLGYAZWIVFK-CQSZACIVSA-N -1 0 408.520 1.946 20 0 HDADRM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000551386710 1075276088 /nfs/dbraw/zinc/27/60/88/1075276088.db2.gz UXBABCBDBYJMTA-UHFFFAOYSA-N -1 0 409.855 1.894 20 0 HDADRM O=S1(=O)[N-]c2ccccc2N1CCNc1ccc2nnc(-c3ccsc3)n2n1 ZINC000447687877 1075287972 /nfs/dbraw/zinc/28/79/72/1075287972.db2.gz FCSHEHWNECUQCG-UHFFFAOYSA-N -1 0 413.488 2.442 20 0 HDADRM COc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)cc([N-]S(C)(=O)=O)c1OC ZINC000463331483 1075290837 /nfs/dbraw/zinc/29/08/37/1075290837.db2.gz CEQHDMNIEKINMC-UHFFFAOYSA-N -1 0 416.459 2.513 20 0 HDADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)nn(C)c2C)cc1Br ZINC000731302745 1075303011 /nfs/dbraw/zinc/30/30/11/1075303011.db2.gz BXURUICQDRCWIQ-UHFFFAOYSA-N -1 0 402.270 1.927 20 0 HDADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(N)=O)C2)cc1Br ZINC000731303479 1075303022 /nfs/dbraw/zinc/30/30/22/1075303022.db2.gz UQTIAXGVIACGQM-VIFPVBQESA-N -1 0 420.285 1.053 20 0 HDADRM O=C([O-])Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000675944832 1075303533 /nfs/dbraw/zinc/30/35/33/1075303533.db2.gz MCLZUIKIMIGWMD-LBPRGKRZSA-N -1 0 409.489 1.810 20 0 HDADRM CCN(C[C@@H]1CCOC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000675958710 1075308867 /nfs/dbraw/zinc/30/88/67/1075308867.db2.gz FKDRVPRJKRRHKM-HNNXBMFYSA-N -1 0 424.519 1.671 20 0 HDADRM O=C([O-])c1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2-n2cccn2)cc1 ZINC000675959330 1075309112 /nfs/dbraw/zinc/30/91/12/1075309112.db2.gz MTLXTOXNGGDNBD-UHFFFAOYSA-N -1 0 414.443 1.165 20 0 HDADRM O=C([O-])CCN(C(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1 ZINC000675967065 1075311830 /nfs/dbraw/zinc/31/18/30/1075311830.db2.gz AKZLWVSYTBVHBO-UHFFFAOYSA-N -1 0 404.282 1.830 20 0 HDADRM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CCC(=O)[O-])C3CC3)C2)s1 ZINC000675969956 1075312181 /nfs/dbraw/zinc/31/21/81/1075312181.db2.gz YUSAIMJIDJROFH-CYBMUJFWSA-N -1 0 400.522 1.923 20 0 HDADRM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CCC(=O)[O-])CC3CC3)c2)C[C@@H](C)O1 ZINC000675970280 1075312268 /nfs/dbraw/zinc/31/22/68/1075312268.db2.gz NCOOKNHEIHGYTJ-HUUCEWRRSA-N -1 0 424.519 1.811 20 0 HDADRM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c2)C[C@@H](C)O1 ZINC000675985699 1075314437 /nfs/dbraw/zinc/31/44/37/1075314437.db2.gz SRUUNEMAZDKSST-XJKCOSOUSA-N -1 0 412.508 1.714 20 0 HDADRM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c2)C[C@@H](C)O1 ZINC000675985697 1075314446 /nfs/dbraw/zinc/31/44/46/1075314446.db2.gz SRUUNEMAZDKSST-IOASZLSFSA-N -1 0 412.508 1.714 20 0 HDADRM C[C@@H](NC(=O)CCC(=O)N(C)[C@@H](C)C(=O)[O-])C(=O)c1ccc(Br)cc1 ZINC000675990330 1075316180 /nfs/dbraw/zinc/31/61/80/1075316180.db2.gz JXRRXQHWQSHTKJ-MNOVXSKESA-N -1 0 413.268 1.848 20 0 HDADRM C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000675984428 1075319271 /nfs/dbraw/zinc/31/92/71/1075319271.db2.gz VTGYLZAUKYYBIL-SCLBCKFNSA-N -1 0 415.471 1.647 20 0 HDADRM CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000675982055 1075319362 /nfs/dbraw/zinc/31/93/62/1075319362.db2.gz JQASSEDLFJHMBK-SFHVURJKSA-N -1 0 415.471 1.892 20 0 HDADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c(Br)c1 ZINC000509377730 1075320756 /nfs/dbraw/zinc/32/07/56/1075320756.db2.gz HMJJYPBFCDNAGT-UHFFFAOYSA-N -1 0 412.265 1.982 20 0 HDADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000676004890 1075322359 /nfs/dbraw/zinc/32/23/59/1075322359.db2.gz VJSSFCMAWHWLRS-UHFFFAOYSA-N -1 0 408.414 1.650 20 0 HDADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000676003891 1075322371 /nfs/dbraw/zinc/32/23/71/1075322371.db2.gz JGXLEGBWUDNPCK-GFCCVEGCSA-N -1 0 419.459 1.326 20 0 HDADRM Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3cccc3)CC2)c1C(=O)[O-] ZINC000676016840 1075325062 /nfs/dbraw/zinc/32/50/62/1075325062.db2.gz WCLMOEOVFDLIRC-UHFFFAOYSA-N -1 0 409.464 1.319 20 0 HDADRM Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCC2(C(=O)[O-])CCCC2)CCCC1 ZINC000676023008 1075327878 /nfs/dbraw/zinc/32/78/78/1075327878.db2.gz DXUYEZCWRYDPML-UHFFFAOYSA-N -1 0 413.496 1.644 20 0 HDADRM COc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)nn1C ZINC000551107477 1075328880 /nfs/dbraw/zinc/32/88/80/1075328880.db2.gz RUKFANRINZQQDP-UHFFFAOYSA-N -1 0 402.860 1.593 20 0 HDADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccncc2)cc1 ZINC000676028378 1075329740 /nfs/dbraw/zinc/32/97/40/1075329740.db2.gz SGZZNWSIOWPQNI-UHFFFAOYSA-N -1 0 407.477 1.318 20 0 HDADRM CC1CCC(N2C[C@H](C(=O)[N-]S(=O)(=O)c3ccc4c(c3)OCCO4)CC2=O)CC1 ZINC000731409167 1075333348 /nfs/dbraw/zinc/33/33/48/1075333348.db2.gz HPHYYDWFGPSLNZ-SHARSMKWSA-N -1 0 422.503 1.690 20 0 HDADRM O=C([N-]S(=O)(=O)N1CCc2ccccc21)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000731416594 1075336852 /nfs/dbraw/zinc/33/68/52/1075336852.db2.gz YEOJCGBINYGGFG-UHFFFAOYSA-N -1 0 406.485 1.417 20 0 HDADRM CC(C)N1C(=S)N=NC1CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000731443426 1075340688 /nfs/dbraw/zinc/34/06/88/1075340688.db2.gz USDQTOUIDFNPTE-UHFFFAOYSA-N -1 0 404.521 1.656 20 0 HDADRM COC(=O)[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])[C@H](C(=O)OC)C1 ZINC000509380133 1075341286 /nfs/dbraw/zinc/34/12/86/1075341286.db2.gz MKIFSCDXBOVHAF-DOMZBBRYSA-N -1 0 419.409 1.592 20 0 HDADRM Cc1cccc(C)c1-n1nnnc1COC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000731446262 1075342093 /nfs/dbraw/zinc/34/20/93/1075342093.db2.gz BVUHKVBTJLVVNF-UHFFFAOYSA-N -1 0 407.434 1.930 20 0 HDADRM CC(=O)NCc1ccc(C(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000731446625 1075343641 /nfs/dbraw/zinc/34/36/41/1075343641.db2.gz ADAPEYYBHJMFGH-UHFFFAOYSA-N -1 0 410.430 1.656 20 0 HDADRM CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)o1 ZINC000731448298 1075344529 /nfs/dbraw/zinc/34/45/29/1075344529.db2.gz IEDNKSTYRHVTHP-LBPRGKRZSA-N -1 0 414.418 1.638 20 0 HDADRM COCCN1C(=S)N[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)C(C(=O)N(C)C)=C1C ZINC000731424327 1075346663 /nfs/dbraw/zinc/34/66/63/1075346663.db2.gz XPLGQQTUWGFZEZ-DYVFJYSZSA-N -1 0 421.519 1.778 20 0 HDADRM CN(C)C(=O)CN1CCC(NC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC1 ZINC000543656278 1075347196 /nfs/dbraw/zinc/34/71/96/1075347196.db2.gz MVLUIUGBDRIFGX-UHFFFAOYSA-N -1 0 422.942 1.955 20 0 HDADRM CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=S)N1 ZINC000731428035 1075347665 /nfs/dbraw/zinc/34/76/65/1075347665.db2.gz PNJGDGPQKDZXFS-WBMJQRKESA-N -1 0 405.476 1.190 20 0 HDADRM C[C@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CCN1S(C)(=O)=O ZINC000543658471 1075379965 /nfs/dbraw/zinc/37/99/65/1075379965.db2.gz UYPZCYKQEDWCDA-JTQLQIEISA-N -1 0 415.928 1.778 20 0 HDADRM CS(=O)(=O)N[C@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000543657218 1075387297 /nfs/dbraw/zinc/38/72/97/1075387297.db2.gz NHXLFZSJVYYUMX-NSHDSACASA-N -1 0 401.901 1.436 20 0 HDADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2-n2cc(C)cn2)cn1 ZINC000543660911 1075389836 /nfs/dbraw/zinc/38/98/36/1075389836.db2.gz CXSVSIMSWCRESH-UHFFFAOYSA-N -1 0 401.448 1.874 20 0 HDADRM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1 ZINC000509386508 1075416283 /nfs/dbraw/zinc/41/62/83/1075416283.db2.gz LMAPBNUJHBVEAY-UHFFFAOYSA-N -1 0 409.395 1.227 20 0 HDADRM COCCN(CC(=O)[O-])C(=O)[C@H](NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000676209226 1075430033 /nfs/dbraw/zinc/43/00/33/1075430033.db2.gz ROZIHHODJMPLLL-LJQANCHMSA-N -1 0 400.431 1.726 20 0 HDADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000731653307 1075437068 /nfs/dbraw/zinc/43/70/68/1075437068.db2.gz XWRYLXFLFLGGAM-QGZVFWFLSA-N -1 0 408.483 1.997 20 0 HDADRM Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC000676210143 1075438131 /nfs/dbraw/zinc/43/81/31/1075438131.db2.gz PLMSPAQLNKCKMQ-QGZVFWFLSA-N -1 0 402.472 1.620 20 0 HDADRM O=C([O-])Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 ZINC000676211250 1075438190 /nfs/dbraw/zinc/43/81/90/1075438190.db2.gz LWQYNDYIFYHYRM-UHFFFAOYSA-N -1 0 410.473 1.648 20 0 HDADRM C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676230854 1075449034 /nfs/dbraw/zinc/44/90/34/1075449034.db2.gz FDNDKAQZCBJRAD-NOZJJQNGSA-N -1 0 401.341 1.164 20 0 HDADRM COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676232253 1075449928 /nfs/dbraw/zinc/44/99/28/1075449928.db2.gz YVMHMVINBSEGGT-IAQYHMDHSA-N -1 0 420.384 1.843 20 0 HDADRM CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)ccc1Cl ZINC000676232415 1075449963 /nfs/dbraw/zinc/44/99/63/1075449963.db2.gz BDHMPXAZEACROR-LBPRGKRZSA-N -1 0 417.915 1.716 20 0 HDADRM COCC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1csnc1C(=O)OC 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HDADRM COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N1CCO[C@H](C(=O)[O-])C1 ZINC000676232252 1075449981 /nfs/dbraw/zinc/44/99/81/1075449981.db2.gz YVMHMVINBSEGGT-ABAIWWIYSA-N -1 0 420.384 1.843 20 0 HDADRM NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000509396334 1075461742 /nfs/dbraw/zinc/46/17/42/1075461742.db2.gz JYFHZLAEUHSWDU-UHFFFAOYSA-N -1 0 418.353 1.247 20 0 HDADRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731767001 1075502485 /nfs/dbraw/zinc/50/24/85/1075502485.db2.gz KZMDURHFANBAKP-UHFFFAOYSA-N -1 0 405.382 1.771 20 0 HDADRM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731768218 1075502747 /nfs/dbraw/zinc/50/27/47/1075502747.db2.gz CQLUGGWIPYIVOD-UHFFFAOYSA-N -1 0 416.434 1.478 20 0 HDADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2nc(C)n(-c3ccccc3)n2)cc1 ZINC000731769219 1075503059 /nfs/dbraw/zinc/50/30/59/1075503059.db2.gz MKPBTLPXAYWKHA-UHFFFAOYSA-N -1 0 414.443 1.622 20 0 HDADRM O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1nn(-c2ccc(F)cc2)ccc1=O 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/nfs/dbraw/zinc/54/70/31/1075547031.db2.gz PLSYJDYVOKVGRT-UHFFFAOYSA-N -1 0 403.324 1.914 20 0 HDADRM O=C(c1ccccc1)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731879964 1075551657 /nfs/dbraw/zinc/55/16/57/1075551657.db2.gz CKTWYHRHXFVHHI-MHORFTMASA-N -1 0 410.478 1.573 20 0 HDADRM O=C(CSc1nncn1-c1cccc(Cl)c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000731879913 1075551665 /nfs/dbraw/zinc/55/16/65/1075551665.db2.gz ADMVZHFMLWFMKF-LBPRGKRZSA-N -1 0 406.859 1.126 20 0 HDADRM CCc1ccccc1-n1cnnc1SCC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731880829 1075552045 /nfs/dbraw/zinc/55/20/45/1075552045.db2.gz YQTIWFARJMJTSN-CQSZACIVSA-N -1 0 400.468 1.035 20 0 HDADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1cc(OC)c(C)c(OC)c1 ZINC000731919108 1075571283 /nfs/dbraw/zinc/57/12/83/1075571283.db2.gz QAPSYSCVCKYEEX-CYBMUJFWSA-N -1 0 400.453 1.014 20 0 HDADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000731918844 1075571652 /nfs/dbraw/zinc/57/16/52/1075571652.db2.gz 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O=C(C=Cc1ccc(I)o1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732092312 1075608402 /nfs/dbraw/zinc/60/84/02/1075608402.db2.gz XITQJWFCHSUZFG-LXOKAJLYSA-N -1 0 401.164 1.011 20 0 HDADRM O=C(COc1ccc(Br)cc1Cl)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732088869 1075621758 /nfs/dbraw/zinc/62/17/58/1075621758.db2.gz HDESZQSTJVPFJX-NSHDSACASA-N -1 0 402.636 1.595 20 0 HDADRM CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089556 1075623472 /nfs/dbraw/zinc/62/34/72/1075623472.db2.gz JWTIHIRBPHTODA-XGUBFFRZSA-N -1 0 406.487 1.668 20 0 HDADRM O=C([C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732089449 1075623542 /nfs/dbraw/zinc/62/35/42/1075623542.db2.gz MVRTUJUWOZDYFZ-ZANVPECISA-N -1 0 411.249 1.460 20 0 HDADRM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732090016 1075623890 /nfs/dbraw/zinc/62/38/90/1075623890.db2.gz GBSGATSGACKHPP-BELXIORKSA-N -1 0 416.526 1.457 20 0 HDADRM O=C(NCC1(CO)COC1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000676627401 1075623957 /nfs/dbraw/zinc/62/39/57/1075623957.db2.gz WYUPIJFOECVQEN-UHFFFAOYSA-N -1 0 405.760 1.989 20 0 HDADRM CCc1nc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)nn1-c1c(Cl)cccc1Cl ZINC000732090578 1075624798 /nfs/dbraw/zinc/62/47/98/1075624798.db2.gz WZCMBLHHFYKISM-NSHDSACASA-N -1 0 423.264 1.863 20 0 HDADRM O=C(c1ccccc1OC(F)F)N1CCC[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091701 1075626274 /nfs/dbraw/zinc/62/62/74/1075626274.db2.gz NUIAIYJLKVOFIZ-GXTWGEPZSA-N -1 0 422.392 1.006 20 0 HDADRM CC(=O)N[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)C1 ZINC000676635393 1075626448 /nfs/dbraw/zinc/62/64/48/1075626448.db2.gz DREHJQNZZJTESD-MRXNPFEDSA-N -1 0 418.471 1.715 20 0 HDADRM O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091598 1075626618 /nfs/dbraw/zinc/62/66/18/1075626618.db2.gz KDHYVZDGVZTZIQ-ZWKOTPCHSA-N -1 0 405.414 1.868 20 0 HDADRM CC(C)c1nc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)nn1-c1ccccc1Cl ZINC000732091480 1075627071 /nfs/dbraw/zinc/62/70/71/1075627071.db2.gz FZWUEXXFEQEYHF-CYBMUJFWSA-N -1 0 402.846 1.771 20 0 HDADRM O=C(Nc1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1)c1ccc2[nH]cnc2c1 ZINC000732091150 1075627603 /nfs/dbraw/zinc/62/76/03/1075627603.db2.gz SUHFWFVXMKCLJY-QGZVFWFLSA-N -1 0 418.417 1.542 20 0 HDADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000732156886 1075639190 /nfs/dbraw/zinc/63/91/90/1075639190.db2.gz VIOJLLKIOINKSO-CQSZACIVSA-N -1 0 400.504 1.689 20 0 HDADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2nnc(N)o2)c1 ZINC000473276607 1075644885 /nfs/dbraw/zinc/64/48/85/1075644885.db2.gz CVUSXASATSEAON-UHFFFAOYSA-N -1 0 403.420 1.391 20 0 HDADRM Cc1[nH]nc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1[O-] ZINC000676685597 1075647684 /nfs/dbraw/zinc/64/76/84/1075647684.db2.gz DNUFCZVCAIBGOB-UHFFFAOYSA-N -1 0 411.384 1.839 20 0 HDADRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000732174069 1075660014 /nfs/dbraw/zinc/66/00/14/1075660014.db2.gz SQNLZVKNHMVGPU-OAHLLOKOSA-N -1 0 414.531 1.936 20 0 HDADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])[C@H](O)C1 ZINC001649127853 1075673340 /nfs/dbraw/zinc/67/33/40/1075673340.db2.gz FPKPHLOIGQIWHB-HUUCEWRRSA-N -1 0 420.441 1.817 20 0 HDADRM Cc1sc2ncn([N-]C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)c(=O)c2c1C ZINC000732258762 1075689036 /nfs/dbraw/zinc/68/90/36/1075689036.db2.gz SMBULQOZNPPFDJ-UHFFFAOYSA-N -1 0 408.443 1.743 20 0 HDADRM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000732301632 1075693635 /nfs/dbraw/zinc/69/36/35/1075693635.db2.gz ZCAHAQQRBPFORS-ZDUSSCGKSA-N -1 0 418.251 1.962 20 0 HDADRM C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3n[n-]c4ccccc4c3=O)CC2)C1 ZINC000732290600 1075700226 /nfs/dbraw/zinc/70/02/26/1075700226.db2.gz UBLWVBGLRKYEIC-HOTGVXAUSA-N -1 0 411.506 1.788 20 0 HDADRM CC[C@@H](C)[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(=O)NCCN1CCOCC1 ZINC000543585745 1075720638 /nfs/dbraw/zinc/72/06/38/1075720638.db2.gz NBZDXPLIAMPDGU-BZNIZROVSA-N -1 0 417.428 1.402 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ZINC000676217499 1075435560 /nfs/dbraw/zinc/43/55/60/1075435560.db2.gz XMNJJEFGXFMWMN-CABCVRRESA-N -1 0 412.483 1.940 20 0 HDADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000676211431 1075438153 /nfs/dbraw/zinc/43/81/53/1075438153.db2.gz SNMVCSLAWWAPQI-GFCCVEGCSA-N -1 0 419.459 1.578 20 0 HDADRM CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@H](C(=O)[O-])C1)C2=O ZINC000676214140 1075439025 /nfs/dbraw/zinc/43/90/25/1075439025.db2.gz HOQFRWSEYJHPIL-DMAKZNTKSA-N -1 0 409.483 1.215 20 0 HDADRM CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)s2)CC1 ZINC000676215410 1075440368 /nfs/dbraw/zinc/44/03/68/1075440368.db2.gz PEOUOYOKORJZEN-LBPRGKRZSA-N -1 0 402.494 1.094 20 0 HDADRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000804123177 1075442915 /nfs/dbraw/zinc/44/29/15/1075442915.db2.gz PGQGVDIFIXQVKY-OAHLLOKOSA-N -1 0 408.418 1.494 20 0 HDADRM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N(C)c3nc(C)cs3)n21 ZINC000731642080 1075443813 /nfs/dbraw/zinc/44/38/13/1075443813.db2.gz WNMZQGMJKZJWAC-UHFFFAOYSA-N -1 0 407.529 1.325 20 0 HDADRM Cc1cc(OCCN2CCNC2=O)ccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000509393037 1075448274 /nfs/dbraw/zinc/44/82/74/1075448274.db2.gz WHFDLIVBGUIYDS-UHFFFAOYSA-N -1 0 419.459 1.929 20 0 HDADRM COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)N1CCO[C@@H](C(=O)[O-])C1 ZINC000676232255 1075450048 /nfs/dbraw/zinc/45/00/48/1075450048.db2.gz YVMHMVINBSEGGT-XHDPSFHLSA-N -1 0 420.384 1.843 20 0 HDADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)c1Br ZINC000509397636 1075477501 /nfs/dbraw/zinc/47/75/01/1075477501.db2.gz VYSJJWHOZUZVHM-UHFFFAOYSA-N -1 0 412.265 1.982 20 0 HDADRM Cc1nc(C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)nn1-c1ccccc1 ZINC000731769564 1075503003 /nfs/dbraw/zinc/50/30/03/1075503003.db2.gz YNQKEDYZKAPEJD-UHFFFAOYSA-N -1 0 422.264 1.852 20 0 HDADRM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000731771231 1075504313 /nfs/dbraw/zinc/50/43/13/1075504313.db2.gz WQXMVMKMHKYTJR-UHFFFAOYSA-N -1 0 416.459 1.294 20 0 HDADRM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000731772121 1075505168 /nfs/dbraw/zinc/50/51/68/1075505168.db2.gz LMMRCCJSNSALHW-UHFFFAOYSA-N -1 0 424.438 1.546 20 0 HDADRM O=C([N-]OCc1ccccc1)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731764429 1075517570 /nfs/dbraw/zinc/51/75/70/1075517570.db2.gz VNQSQKKNUKQTNJ-UHFFFAOYSA-N -1 0 407.423 1.552 20 0 HDADRM O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1 ZINC000731852664 1075534148 /nfs/dbraw/zinc/53/41/48/1075534148.db2.gz ALSGIHPYDOPRMY-DZGCQCFKSA-N -1 0 404.858 1.305 20 0 HDADRM O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731855296 1075536955 /nfs/dbraw/zinc/53/69/55/1075536955.db2.gz GSOQUZDIZSRBJD-QGZVFWFLSA-N -1 0 413.459 1.387 20 0 HDADRM O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731855462 1075537156 /nfs/dbraw/zinc/53/71/56/1075537156.db2.gz ODNKIXCJAFOQOB-QGZVFWFLSA-N -1 0 402.418 1.661 20 0 HDADRM O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000731855422 1075537426 /nfs/dbraw/zinc/53/74/26/1075537426.db2.gz LVIFYXKPVUAPBV-CYBMUJFWSA-N -1 0 408.447 1.723 20 0 HDADRM O=C([O-])c1ccc(CN2C(=O)C[C@@H](Nc3cccc([C@@H]4CNC(=O)C4)c3)C2=O)cc1 ZINC000676408842 1075540245 /nfs/dbraw/zinc/54/02/45/1075540245.db2.gz JNDWUXMQKLUBSJ-FUHWJXTLSA-N -1 0 407.426 1.728 20 0 HDADRM NC(=O)C1(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)CCOCC1 ZINC000676398963 1075543533 /nfs/dbraw/zinc/54/35/33/1075543533.db2.gz PEZPBIDESSLZRD-UHFFFAOYSA-N -1 0 409.489 1.313 20 0 HDADRM O=C(CSc1ccccc1C(=O)N1CCO[C@H](c2nnn[n-]2)C1)N1CCCC1 ZINC000731880112 1075551268 /nfs/dbraw/zinc/55/12/68/1075551268.db2.gz FTDIPTXNTJXGCP-AWEZNQCLSA-N -1 0 402.480 1.128 20 0 HDADRM CCn1cnnc1CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCOC)c2=O ZINC000731880510 1075551284 /nfs/dbraw/zinc/55/12/84/1075551284.db2.gz OGJMCFBCURPHMJ-UHFFFAOYSA-N -1 0 416.507 1.306 20 0 HDADRM O=C(COc1ccc(CCNC(=O)c2n[n-]c3ccccc3c2=O)cc1)NC1CC1 ZINC000731870642 1075559562 /nfs/dbraw/zinc/55/95/62/1075559562.db2.gz LWMMJIBDNGCMTK-UHFFFAOYSA-N -1 0 406.442 1.965 20 0 HDADRM Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(F)(F)F ZINC000731870290 1075559680 /nfs/dbraw/zinc/55/96/80/1075559680.db2.gz KYACNCMJMFMWJU-MRXNPFEDSA-N -1 0 411.340 1.333 20 0 HDADRM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C1=Cc2cccc(OCC)c2OC1 ZINC000731918299 1075570382 /nfs/dbraw/zinc/57/03/82/1075570382.db2.gz BLQBURFYEBNRIB-OAHLLOKOSA-N -1 0 424.475 1.250 20 0 HDADRM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCc1ccc(OC)c(OC)c1 ZINC000731919694 1075570557 /nfs/dbraw/zinc/57/05/57/1075570557.db2.gz ZVXRKFYCRJHANE-AWEZNQCLSA-N -1 0 414.480 1.025 20 0 HDADRM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1 ZINC000731984391 1075584063 /nfs/dbraw/zinc/58/40/63/1075584063.db2.gz GMOWONHPTJFZFA-UHFFFAOYSA-N -1 0 402.842 1.844 20 0 HDADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000732045395 1075594312 /nfs/dbraw/zinc/59/43/12/1075594312.db2.gz JIZCVJIJFDADJI-UHFFFAOYSA-N -1 0 421.479 1.007 20 0 HDADRM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(Sc2nncn2C)cc1 ZINC000732046465 1075607013 /nfs/dbraw/zinc/60/70/13/1075607013.db2.gz WCOBQRNCHVFRTH-UHFFFAOYSA-N -1 0 408.465 1.585 20 0 HDADRM C=CC(=O)NCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C ZINC000732099945 1075611833 /nfs/dbraw/zinc/61/18/33/1075611833.db2.gz MWZUQKQSMDFNCJ-UHFFFAOYSA-N -1 0 417.487 1.836 20 0 HDADRM C=CC(=O)NCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000732102015 1075613659 /nfs/dbraw/zinc/61/36/59/1075613659.db2.gz NTIDNNOAKPDTRI-UHFFFAOYSA-N -1 0 405.451 1.967 20 0 HDADRM COC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CCOCC1 ZINC000676623543 1075621425 /nfs/dbraw/zinc/62/14/25/1075621425.db2.gz BHFBPIMTIRNEGC-UHFFFAOYSA-N -1 0 411.505 1.869 20 0 HDADRM O=C(N1CCO[C@H](c2nnn[n-]2)C1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000732088720 1075621663 /nfs/dbraw/zinc/62/16/63/1075621663.db2.gz GFNUYONTULVPTD-ZBEGNZNMSA-N -1 0 406.855 1.382 20 0 HDADRM O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732088417 1075622278 /nfs/dbraw/zinc/62/22/78/1075622278.db2.gz ARSYOESTLNKBHX-GXFFZTMASA-N -1 0 411.249 1.460 20 0 HDADRM O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732089656 1075622575 /nfs/dbraw/zinc/62/25/75/1075622575.db2.gz QFRWARDOGFKSQK-GFCCVEGCSA-N -1 0 411.319 1.757 20 0 HDADRM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732090017 1075623973 /nfs/dbraw/zinc/62/39/73/1075623973.db2.gz GBSGATSGACKHPP-MTPYNGCESA-N -1 0 416.526 1.457 20 0 HDADRM O=C(Nc1cccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1)[C@@H]1Cc2ccccc2O1 ZINC000732090406 1075625164 /nfs/dbraw/zinc/62/51/64/1075625164.db2.gz VXFRVZOHXUPHEZ-ROUUACIJSA-N -1 0 420.429 1.356 20 0 HDADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1C[C@@H](NC(C)=O)Cc2ccccc21 ZINC000676635539 1075626195 /nfs/dbraw/zinc/62/61/95/1075626195.db2.gz HYGSEAMRHIQBLH-INIZCTEOSA-N -1 0 418.471 1.578 20 0 HDADRM O=C(CCOc1ccc(Cl)cc1Br)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000732091698 1075626248 /nfs/dbraw/zinc/62/62/48/1075626248.db2.gz NKZOCADKRWKXAF-LBPRGKRZSA-N -1 0 416.663 1.985 20 0 HDADRM O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1 ZINC000732091578 1075626669 /nfs/dbraw/zinc/62/66/69/1075626669.db2.gz JPRQDLHREDVUQX-WFASDCNBSA-N -1 0 403.418 1.183 20 0 HDADRM CC(=O)N[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)C1 ZINC000676635276 1075626839 /nfs/dbraw/zinc/62/68/39/1075626839.db2.gz ADZMXQFEPOUQFP-AWEZNQCLSA-N -1 0 404.444 1.655 20 0 HDADRM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000732091206 1075627581 /nfs/dbraw/zinc/62/75/81/1075627581.db2.gz VGLCZDOYPRJVNM-HZPDHXFCSA-N -1 0 414.466 1.462 20 0 HDADRM C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000732104987 1075633381 /nfs/dbraw/zinc/63/33/81/1075633381.db2.gz KYBZIYPCVLDYHY-RNODOKPDSA-N -1 0 418.498 1.661 20 0 HDADRM COc1ccc(CN(C)C(=O)c2cc([N-]S(C)(=O)=O)c(OC)c(OC)c2)cn1 ZINC000676665891 1075637420 /nfs/dbraw/zinc/63/74/20/1075637420.db2.gz VWNPEOPOQDVUBF-UHFFFAOYSA-N -1 0 409.464 1.751 20 0 HDADRM Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1[O-] ZINC000676706079 1075656144 /nfs/dbraw/zinc/65/61/44/1075656144.db2.gz BSIDPQYDSDQFSL-UHFFFAOYSA-N -1 0 419.290 1.877 20 0 HDADRM CC[C@H]([N-]S(=O)(=O)c1c(N)noc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000584688315 1075675765 /nfs/dbraw/zinc/67/57/65/1075675765.db2.gz MKESUZKZWGCXFI-HNNXBMFYSA-N -1 0 422.507 1.996 20 0 HDADRM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000732283060 1075697118 /nfs/dbraw/zinc/69/71/18/1075697118.db2.gz DFYNBSCUQGTMHC-UHFFFAOYSA-N -1 0 403.416 1.706 20 0 HDADRM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(N)noc1C)c1ccc(Br)cc1 ZINC000517783708 1075698830 /nfs/dbraw/zinc/69/88/30/1075698830.db2.gz WGUYPQSNMXSYBM-NSHDSACASA-N -1 0 418.269 1.910 20 0 HDADRM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509252710 1075715466 /nfs/dbraw/zinc/71/54/66/1075715466.db2.gz 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Nc1noc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000443101564 1075760562 /nfs/dbraw/zinc/76/05/62/1075760562.db2.gz DIZIRLOYPHZCRU-UHFFFAOYSA-N -1 0 423.401 1.703 20 0 HDADRM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000732495798 1075767915 /nfs/dbraw/zinc/76/79/15/1075767915.db2.gz QRVJFQFXUIXRQX-UHFFFAOYSA-N -1 0 413.496 1.401 20 0 HDADRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c1Cl ZINC000732498433 1075769338 /nfs/dbraw/zinc/76/93/38/1075769338.db2.gz NQWBKQBIKAXZQI-UHFFFAOYSA-N -1 0 412.855 1.448 20 0 HDADRM CCOCCS(=O)(=O)[N-]C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000732506531 1075771600 /nfs/dbraw/zinc/77/16/00/1075771600.db2.gz KLFDIHJNUQEVPJ-UHFFFAOYSA-N -1 0 413.521 1.209 20 0 HDADRM CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000732506465 1075771673 /nfs/dbraw/zinc/77/16/73/1075771673.db2.gz GTWJOEMWQSTPDH-MRXNPFEDSA-N -1 0 412.508 1.177 20 0 HDADRM CC(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000732511349 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