smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccnc(C(=O)N2CCC(OC(C)(C)C)CC2)c1 ZINC000160738263 282304108 /nfs/dbraw/zinc/30/41/08/282304108.db2.gz UKMAGNITAGXYLG-UHFFFAOYSA-N 0 0 305.422 2.567 20 70 DFIDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000159531151 186125444 /nfs/dbraw/zinc/12/54/44/186125444.db2.gz RDUDZRKQYDINMY-GFCCVEGCSA-N 0 0 304.346 2.816 20 70 DFIDRN O=C(Nc1cccc(C(=O)OCc2cncs2)c1)C1CC1 ZINC000159572501 186127667 /nfs/dbraw/zinc/12/76/67/186127667.db2.gz XSKRUMIHXLDGFT-UHFFFAOYSA-N 0 0 302.355 2.849 20 70 DFIDRN CCCN(CC(=O)NC)C(=O)[C@H](C)CSCc1ccccc1 ZINC000159569621 186127813 /nfs/dbraw/zinc/12/78/13/186127813.db2.gz JMPJVMYYJUSDGR-CQSZACIVSA-N 0 0 322.474 2.541 20 70 DFIDRN C[C@@H](Cc1ccc(O)cc1)NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159580749 186128477 /nfs/dbraw/zinc/12/84/77/186128477.db2.gz NZPIOMDZVWVEHG-MJEQTWJJSA-N 0 0 318.417 2.580 20 70 DFIDRN CN(CC(=O)N(CCC#N)c1ccccc1)OCc1ccccc1 ZINC000159588608 186129019 /nfs/dbraw/zinc/12/90/19/186129019.db2.gz LHATVXHZXAWEHR-UHFFFAOYSA-N 0 0 323.396 2.997 20 70 DFIDRN Cc1ccc(F)cc1C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159589482 186129408 /nfs/dbraw/zinc/12/94/08/186129408.db2.gz RGWGWTAPYGXNEA-UHFFFAOYSA-N 0 0 322.424 2.565 20 70 DFIDRN CC(C)c1ncc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)s1 ZINC000159595920 186129617 /nfs/dbraw/zinc/12/96/17/186129617.db2.gz GDCIJSZHFZISEY-UHFFFAOYSA-N 0 0 305.285 2.656 20 70 DFIDRN C[S@](=O)C[C@H](NCc1cccnc1Cl)c1ccccc1 ZINC000159597038 186129892 /nfs/dbraw/zinc/12/98/92/186129892.db2.gz CRTRXOUHEAIXDW-VBKZILBWSA-N 0 0 308.834 2.944 20 70 DFIDRN O[C@@H](C[C@@H]1COCCN1Cc1cccc(F)c1F)c1ccco1 ZINC000159603179 186130094 /nfs/dbraw/zinc/13/00/94/186130094.db2.gz GQDZNKJBWIYWHY-HIFRSBDPSA-N 0 0 323.339 2.882 20 70 DFIDRN Cc1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1F ZINC000159626191 186131374 /nfs/dbraw/zinc/13/13/74/186131374.db2.gz KGBWBLHBBVXBIQ-UHFFFAOYSA-N 0 0 314.360 2.802 20 70 DFIDRN CCC[C@@H]1CN(C(=O)NCc2ccc(COCC)cc2)CCO1 ZINC000159625363 186131400 /nfs/dbraw/zinc/13/14/00/186131400.db2.gz RYHQKLZMGPVGBE-QGZVFWFLSA-N 0 0 320.433 2.934 20 70 DFIDRN CN(CC(=O)N1CCc2ccccc2C1)OCc1ccccc1 ZINC000159640571 186132606 /nfs/dbraw/zinc/13/26/06/186132606.db2.gz SHNMKRKPCGZAHF-UHFFFAOYSA-N 0 0 310.397 2.635 20 70 DFIDRN CCc1nnc(CN(CC(=O)OC)[C@H](CC)c2ccccc2)o1 ZINC000159648898 186133089 /nfs/dbraw/zinc/13/30/89/186133089.db2.gz FNIULRCWWPDBCH-CQSZACIVSA-N 0 0 317.389 2.758 20 70 DFIDRN CCc1cc(NC(=O)c2c(C)onc2-c2ccccn2)n(C)n1 ZINC000159656252 186133786 /nfs/dbraw/zinc/13/37/86/186133786.db2.gz RRLXNUZHKYEVGD-UHFFFAOYSA-N 0 0 311.345 2.593 20 70 DFIDRN CCc1nc([C@H](C)NC(=O)N2CCC([C@H](C)O)CC2)cs1 ZINC000159665515 186134045 /nfs/dbraw/zinc/13/40/45/186134045.db2.gz LGLGOSFONCFXMW-QWRGUYRKSA-N 0 0 311.451 2.569 20 70 DFIDRN CCc1noc(C)c1CSCc1nnnn1-c1ccccc1 ZINC000159673868 186134664 /nfs/dbraw/zinc/13/46/64/186134664.db2.gz KTYAYLCIDIPBLG-UHFFFAOYSA-N 0 0 315.402 2.955 20 70 DFIDRN CC[C@@H](C(=O)N1CCC[C@@H](C(=O)OC)C1)c1ccc(F)cc1 ZINC000159675703 186134680 /nfs/dbraw/zinc/13/46/80/186134680.db2.gz XDOBUODBABQDCS-UKRRQHHQSA-N 0 0 307.365 2.731 20 70 DFIDRN C[C@H]1CC[C@H](NC(=O)CNCC(F)(F)F)c2ccccc21 ZINC000159704900 186136578 /nfs/dbraw/zinc/13/65/78/186136578.db2.gz FNSRRJLESGFOOG-GWCFXTLKSA-N 0 0 300.324 2.893 20 70 DFIDRN CS[C@@H](C)CC(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000159711597 186136933 /nfs/dbraw/zinc/13/69/33/186136933.db2.gz VYTSZTYIWMCOOX-NSHDSACASA-N 0 0 306.431 2.967 20 70 DFIDRN CCc1ccccc1NC(=O)CCCNC(=O)c1cccnc1 ZINC000159736138 186138572 /nfs/dbraw/zinc/13/85/72/186138572.db2.gz HSSJAWIBLSXZMR-UHFFFAOYSA-N 0 0 311.385 2.793 20 70 DFIDRN CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1ccccc1C#N ZINC000159736903 186138865 /nfs/dbraw/zinc/13/88/65/186138865.db2.gz CUYANMVRTBTGAX-OAHLLOKOSA-N 0 0 315.398 2.725 20 70 DFIDRN FC(F)(F)C1=CCN(c2ncc(Br)cn2)CC1 ZINC000160255164 282906075 /nfs/dbraw/zinc/90/60/75/282906075.db2.gz LTPKWZOOXIJTER-UHFFFAOYSA-N 0 0 308.101 2.938 20 70 DFIDRN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCCc2sccc21 ZINC000161072800 283368598 /nfs/dbraw/zinc/36/85/98/283368598.db2.gz MDLOQRVEHHOBIQ-NSHDSACASA-N 0 0 318.358 2.640 20 70 DFIDRN C[C@@H](CO)CNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000160400948 295975262 /nfs/dbraw/zinc/97/52/62/295975262.db2.gz JKXBLZLMOCATNK-GHMZBOCLSA-N 0 0 303.324 2.944 20 70 DFIDRN CC(C)CN(CC(N)=O)C(=O)c1cc2c(s1)CCCCCC2 ZINC000159772308 398966053 /nfs/dbraw/zinc/96/60/53/398966053.db2.gz AZTNHATVEXCQMP-UHFFFAOYSA-N 0 0 322.474 2.991 20 70 DFIDRN CC[C@H](NC(=O)c1ccc([S@](C)=O)cc1)c1c(C)noc1C ZINC000160236452 398968811 /nfs/dbraw/zinc/96/88/11/398968811.db2.gz PNMILZHGACODKW-RCDICMHDSA-N 0 0 320.414 2.910 20 70 DFIDRN CCOC(=O)CCN(C(=O)C[C@@H](C)c1ccncc1)C1CC1 ZINC000160258384 398968921 /nfs/dbraw/zinc/96/89/21/398968921.db2.gz OPHXYVLSAVYUPL-CYBMUJFWSA-N 0 0 304.390 2.519 20 70 DFIDRN C[C@H](NC(=O)[C@@H](C)c1ccsc1)C(=O)N1CCCC[C@H]1C ZINC000160171738 398968953 /nfs/dbraw/zinc/96/89/53/398968953.db2.gz 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/nfs/dbraw/zinc/97/42/71/398974271.db2.gz BXXYNMBATWASTB-UHFFFAOYSA-N 0 0 304.147 2.716 20 70 DFIDRN N#Cc1ccc(OCc2cccc(C(=O)NC3(C#N)CC3)c2)cc1 ZINC000160945561 398974414 /nfs/dbraw/zinc/97/44/14/398974414.db2.gz UVCGASPQJWGWPB-UHFFFAOYSA-N 0 0 317.348 2.923 20 70 DFIDRN CC[C@@H](SCc1nc(N)nc(N)n1)c1ccc(F)cc1F ZINC000161305970 398975567 /nfs/dbraw/zinc/97/55/67/398975567.db2.gz BLLGEQBDEMFULJ-SNVBAGLBSA-N 0 0 311.361 2.699 20 70 DFIDRN CSCCNC(=O)NCCOCc1ccc(Cl)cc1 ZINC000161366058 398975623 /nfs/dbraw/zinc/97/56/23/398975623.db2.gz WWNPJOKTTKNPHX-UHFFFAOYSA-N 0 0 302.827 2.519 20 70 DFIDRN O=c1onc(-c2cccnc2)n1Cc1ccc(C(F)(F)F)cc1 ZINC000161292540 398975631 /nfs/dbraw/zinc/97/56/31/398975631.db2.gz HXOYEFWJKOSVCN-UHFFFAOYSA-N 0 0 321.258 2.965 20 70 DFIDRN CN(CC#N)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000161151747 398975646 /nfs/dbraw/zinc/97/56/46/398975646.db2.gz XRVSLVOVHKJVRE-CQSZACIVSA-N 0 0 317.389 2.624 20 70 DFIDRN Cc1ccc(C#N)c(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1 ZINC000161422569 398977194 /nfs/dbraw/zinc/97/71/94/398977194.db2.gz LRQSPRVYLDYYMK-CQSZACIVSA-N 0 0 314.433 2.640 20 70 DFIDRN O=C(NCC1(O)CCC1)c1ccc(Br)c(Cl)c1 ZINC000217826491 145999928 /nfs/dbraw/zinc/99/99/28/145999928.db2.gz KWBMOYSRXAIGEP-UHFFFAOYSA-N 0 0 318.598 2.747 20 70 DFIDRN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccn1 ZINC000218069970 201531261 /nfs/dbraw/zinc/53/12/61/201531261.db2.gz CGFFUUFYZRAJCD-GFCCVEGCSA-N 0 0 310.781 2.681 20 70 DFIDRN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CSCN1 ZINC000160080207 284099700 /nfs/dbraw/zinc/09/97/00/284099700.db2.gz JRNIBKWGLZCVRC-GHMZBOCLSA-N 0 0 317.241 2.759 20 70 DFIDRN CN(C)C(=O)c1cccc(Cn2nc(C3CC3)nc2C2CC2)c1 ZINC000161484351 197498295 /nfs/dbraw/zinc/49/82/95/197498295.db2.gz DOUIYLAXOZSSHU-UHFFFAOYSA-N 0 0 310.401 2.783 20 70 DFIDRN CC(C)c1cc(NC(=O)c2ccc(OCC(F)F)nc2)n[nH]1 ZINC000161473545 197497361 /nfs/dbraw/zinc/49/73/61/197497361.db2.gz JBNXKXLTBXXJSS-UHFFFAOYSA-N 0 0 310.304 2.824 20 70 DFIDRN C[C@H](NC(=O)c1ccco1)C(=O)N1CCc2c1cccc2Cl 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CCN(CC(C)(C)O)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160903496 197449185 /nfs/dbraw/zinc/44/91/85/197449185.db2.gz ZAXNNPWVZSUJHS-JKSUJKDBSA-N 0 0 320.433 2.709 20 70 DFIDRN CC[C@H](C)OCC(=O)Nc1ccccc1C(=O)N(CC)CC ZINC000160878945 197446625 /nfs/dbraw/zinc/44/66/25/197446625.db2.gz ZZFUWOLYPOCRGH-ZDUSSCGKSA-N 0 0 306.406 2.922 20 70 DFIDRN Cc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000160882582 197446471 /nfs/dbraw/zinc/44/64/71/197446471.db2.gz LMQZOWSLXALZPK-CZUORRHYSA-N 0 0 308.447 2.893 20 70 DFIDRN C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)[C@@H](C)CO1 ZINC000160866803 197445868 /nfs/dbraw/zinc/44/58/68/197445868.db2.gz CABQNGQUXBOMOB-ABFRBSLYSA-N 0 0 318.417 2.726 20 70 DFIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(-n2cnnn2)c1 ZINC000160874878 197445488 /nfs/dbraw/zinc/44/54/88/197445488.db2.gz WKEXWFSLPSPBOL-CJNGLKHVSA-N 0 0 313.405 2.703 20 70 DFIDRN COC(=O)CN(C(=O)c1cc2cc(F)ccc2[nH]1)C1CCCC1 ZINC000160831214 197441477 /nfs/dbraw/zinc/44/14/77/197441477.db2.gz 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305.422 2.543 20 70 DFIDRN N#CCC[C@H](NC(=O)N1CCN(C2CC2)CC1)c1ccccc1 ZINC000160651403 425991299 /nfs/dbraw/zinc/99/12/99/425991299.db2.gz LQQQKQDCBLRURL-KRWDZBQOSA-N 0 0 312.417 2.521 20 70 DFIDRN CCOCCCNC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000160664685 425991386 /nfs/dbraw/zinc/99/13/86/425991386.db2.gz HHCXKLFAMGHNIV-INIZCTEOSA-N 0 0 305.422 2.699 20 70 DFIDRN Clc1ccc(-c2cnc(CN3CCC4(C3)OCCO4)o2)cc1 ZINC000160648905 425991654 /nfs/dbraw/zinc/99/16/54/425991654.db2.gz GWGIMDNWYGPMRJ-UHFFFAOYSA-N 0 0 320.776 2.944 20 70 DFIDRN CCC[C@@H](C)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000160682120 425991885 /nfs/dbraw/zinc/99/18/85/425991885.db2.gz LOEQEGOFCAEWJF-SNVBAGLBSA-N 0 0 301.383 2.745 20 70 DFIDRN Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H](CCO)C(C)C)c1 ZINC000160684719 425992322 /nfs/dbraw/zinc/99/23/22/425992322.db2.gz FHDFOCVWRLEFOP-OCCSQVGLSA-N 0 0 313.825 2.939 20 70 DFIDRN CCOC(=O)C[C@@H](C)NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000160675151 425992359 /nfs/dbraw/zinc/99/23/59/425992359.db2.gz 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315.417 2.778 20 70 DFIDRN CCC(=O)N1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2Cl)C1 ZINC000159496113 197357836 /nfs/dbraw/zinc/35/78/36/197357836.db2.gz BURDXNRBYZHTGA-OCCSQVGLSA-N 0 0 322.836 2.646 20 70 DFIDRN CC(C)c1nc(C(=O)Nc2cc3c(cc2N)OCO3)cs1 ZINC000159486859 197357791 /nfs/dbraw/zinc/35/77/91/197357791.db2.gz WEUYWTUHZGAZKA-UHFFFAOYSA-N 0 0 305.359 2.830 20 70 DFIDRN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)no1 ZINC000159483089 197357159 /nfs/dbraw/zinc/35/71/59/197357159.db2.gz HRNRILBAVILJKH-JTQLQIEISA-N 0 0 316.361 2.780 20 70 DFIDRN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)CCCn1cccc1 ZINC000159768672 197362239 /nfs/dbraw/zinc/36/22/39/197362239.db2.gz LHAMAVUQWQPUAM-UHFFFAOYSA-N 0 0 323.437 2.688 20 70 DFIDRN COC[C@@H](NC(=O)Nc1ccc(-c2csnn2)cc1)C1CC1 ZINC000159542158 197361728 /nfs/dbraw/zinc/36/17/28/197361728.db2.gz IRAPDEZPWRTEPI-CYBMUJFWSA-N 0 0 318.402 2.752 20 70 DFIDRN CCn1cc(C(=O)C(=O)Nc2ccc(COC(C)C)cc2)cn1 ZINC000159759087 197361648 /nfs/dbraw/zinc/36/16/48/197361648.db2.gz ULMHLFHJBFVTMG-UHFFFAOYSA-N 0 0 315.373 2.649 20 70 DFIDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(N(C)C)nc1 ZINC000159514903 197359932 /nfs/dbraw/zinc/35/99/32/197359932.db2.gz NSXCOGBPVLMIAB-JTQLQIEISA-N 0 0 301.394 2.620 20 70 DFIDRN O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1COc2ccccc21 ZINC000159517268 197359273 /nfs/dbraw/zinc/35/92/73/197359273.db2.gz GCVSXCGSNYPZGB-ZFWWWQNUSA-N 0 0 301.386 2.771 20 70 DFIDRN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(OC)cc2O)C12CCC2 ZINC000159481049 197356565 /nfs/dbraw/zinc/35/65/65/197356565.db2.gz ZBUZNOWWWPNMKT-JKSUJKDBSA-N 0 0 319.401 2.821 20 70 DFIDRN Cc1noc(C)c1CC(=O)N(C)CCOCc1ccccc1 ZINC000159477105 197356569 /nfs/dbraw/zinc/35/65/69/197356569.db2.gz XOINXQWZOYIQFN-UHFFFAOYSA-N 0 0 302.374 2.509 20 70 DFIDRN CCc1noc(C)c1CNc1ccc(CC(=O)N(C)C)cc1 ZINC000159458774 197354914 /nfs/dbraw/zinc/35/49/14/197354914.db2.gz IKWJYZTVFKSADQ-UHFFFAOYSA-N 0 0 301.390 2.788 20 70 DFIDRN O=C(Nc1ccc(Cl)cc1F)C(=O)N1CCC2(CCC2)C1 ZINC000159456762 197354942 /nfs/dbraw/zinc/35/49/42/197354942.db2.gz WRJSOIURLNVQHC-UHFFFAOYSA-N 0 0 310.756 2.820 20 70 DFIDRN CCNC(=O)C(C)(C)CNC(=O)Nc1cc(F)cc(Cl)c1 ZINC000159442838 197353849 /nfs/dbraw/zinc/35/38/49/197353849.db2.gz KRUNRKZFLBUCQT-UHFFFAOYSA-N 0 0 315.776 2.763 20 70 DFIDRN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(OC)ccc2O)C12CCC2 ZINC000159482582 197356775 /nfs/dbraw/zinc/35/67/75/197356775.db2.gz KCYHUDTVZFPFFY-CVEARBPZSA-N 0 0 319.401 2.821 20 70 DFIDRN COCCCOc1ccccc1NC(=O)N[C@@H](COC)C1CC1 ZINC000159478520 197356797 /nfs/dbraw/zinc/35/67/97/197356797.db2.gz SUWZCZRBLRWFEK-HNNXBMFYSA-N 0 0 322.405 2.648 20 70 DFIDRN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(OC)c2O)C12CCC2 ZINC000159484860 197356877 /nfs/dbraw/zinc/35/68/77/197356877.db2.gz JQPCDSFPUKWLJK-LSDHHAIUSA-N 0 0 319.401 2.821 20 70 DFIDRN CCc1nnc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)[nH]1 ZINC000159419332 197352268 /nfs/dbraw/zinc/35/22/68/197352268.db2.gz XINHOQQOYPNQMM-AWEZNQCLSA-N 0 0 316.380 2.744 20 70 DFIDRN 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CYOUXEMWOOWDPR-LBPRGKRZSA-N 0 0 317.364 2.924 20 70 DFIDRN Cc1nccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1Cl ZINC000159680819 542719520 /nfs/dbraw/zinc/71/95/20/542719520.db2.gz QPDZODCQZGUDDM-LLVKDONJSA-N 0 0 320.784 2.921 20 70 DFIDRN C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)C[C@@H](C)C1 ZINC000159700142 542719570 /nfs/dbraw/zinc/71/95/70/542719570.db2.gz BQXGMHCFWIIESB-MNOVXSKESA-N 0 0 307.369 2.825 20 70 DFIDRN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000159831905 542719590 /nfs/dbraw/zinc/71/95/90/542719590.db2.gz RBWJIQGJIOBEJT-LLVKDONJSA-N 0 0 301.390 2.908 20 70 DFIDRN CN(CC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000159865493 542719821 /nfs/dbraw/zinc/71/98/21/542719821.db2.gz HTSWCQAATNIMBM-OAHLLOKOSA-N 0 0 302.418 2.731 20 70 DFIDRN Cc1cnc(CCN(C)C(=O)NC[C@H]2Cc3ccccc32)s1 ZINC000159887967 542720228 /nfs/dbraw/zinc/72/02/28/542720228.db2.gz GONVINKWDYSVDN-CQSZACIVSA-N 0 0 315.442 2.975 20 70 DFIDRN C[C@H](CC(=O)N1CCO[C@H](c2nccs2)C1)c1ccncc1 ZINC000160226491 542721710 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DFIDRN CCOC(=O)CCNC(=O)Nc1ccccc1Br ZINC000217272704 542876333 /nfs/dbraw/zinc/87/63/33/542876333.db2.gz ZZPCQXHINXUPTG-UHFFFAOYSA-N 0 0 315.167 2.524 20 70 DFIDRN CCc1cccc(C)c1NC(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000217288199 542876573 /nfs/dbraw/zinc/87/65/73/542876573.db2.gz SERSEIGOEZXRAQ-AWEZNQCLSA-N 0 0 303.406 2.688 20 70 DFIDRN C[C@H](CO)CNC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000159404465 145219585 /nfs/dbraw/zinc/21/95/85/145219585.db2.gz JCHGEPLVLHPAEA-NSHDSACASA-N 0 0 307.781 2.881 20 70 DFIDRN CC[C@@H](NC(=O)N(C)CC1CCOCC1)c1c(C)nn(C)c1C ZINC000159564841 145219969 /nfs/dbraw/zinc/21/99/69/145219969.db2.gz YWURQBCUQATMNQ-OAHLLOKOSA-N 0 0 322.453 2.556 20 70 DFIDRN C[C@@H]1CCO[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000160439944 145220960 /nfs/dbraw/zinc/22/09/60/145220960.db2.gz GPTWYHFQOPKGCX-MLGOLLRUSA-N 0 0 307.365 2.621 20 70 DFIDRN O=C(NCc1ccc(OCC2CC2)nc1)c1ccc2[nH]cnc2c1 ZINC000160313966 145221064 /nfs/dbraw/zinc/22/10/64/145221064.db2.gz ROMVSCCXIBMIPQ-UHFFFAOYSA-N 0 0 322.368 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/nfs/dbraw/zinc/38/88/69/197388869.db2.gz URUNURKCPLZPMU-UHFFFAOYSA-N 0 0 323.396 2.946 20 70 DFIDRN C/C=C(/C)C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000160130868 197387816 /nfs/dbraw/zinc/38/78/16/197387816.db2.gz PMCPWFWBMVZGPX-WDZFZDKYSA-N 0 0 310.419 2.668 20 70 DFIDRN CCCc1ccccc1NC(=O)NCC1(CO)CCOCC1 ZINC000160114281 197387011 /nfs/dbraw/zinc/38/70/11/197387011.db2.gz QTZYYBLLJZXBKD-UHFFFAOYSA-N 0 0 306.406 2.550 20 70 DFIDRN Cc1cc(C(=O)Nc2cncnc2N2CCCC2)cc(Cl)n1 ZINC000160114852 197386825 /nfs/dbraw/zinc/38/68/25/197386825.db2.gz LFEZRLXLBTVQQU-UHFFFAOYSA-N 0 0 317.780 2.686 20 70 DFIDRN Cc1cccnc1[C@@H](NC(=O)N1CCC([C@@H](C)O)CC1)C(C)C ZINC000160107804 197386266 /nfs/dbraw/zinc/38/62/66/197386266.db2.gz WKGNXISQEWJYPC-ZBFHGGJFSA-N 0 0 319.449 2.890 20 70 DFIDRN Cc1ccc(F)c(C(=O)N(C)CC(C)(C)CN2CCOCC2)c1 ZINC000160075167 197383846 /nfs/dbraw/zinc/38/38/46/197383846.db2.gz LPKGPVBNXBKFSQ-UHFFFAOYSA-N 0 0 322.424 2.565 20 70 DFIDRN C[C@@H](Cc1ccccc1F)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000160036451 197380897 /nfs/dbraw/zinc/38/08/97/197380897.db2.gz RYZQCCNNINKACK-HOCLYGCPSA-N 0 0 323.408 2.706 20 70 DFIDRN C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[C@H](C)c1ccccc1 ZINC000160028248 197380694 /nfs/dbraw/zinc/38/06/94/197380694.db2.gz CPVDQYNGHUEZRE-QWHCGFSZSA-N 0 0 323.396 2.789 20 70 DFIDRN COc1cc(C(=O)NCC2(C3CC3)CC2)cc(OC)c1OC ZINC000160008945 197379560 /nfs/dbraw/zinc/37/95/60/197379560.db2.gz DPFCCKWIIJVALU-UHFFFAOYSA-N 0 0 305.374 2.632 20 70 DFIDRN O=C(CN1CCCCCC1=O)N[C@@H]1CCCc2sccc21 ZINC000159988689 197379046 /nfs/dbraw/zinc/37/90/46/197379046.db2.gz QKEGXZRKKHXRQU-CYBMUJFWSA-N 0 0 306.431 2.644 20 70 DFIDRN N#CCOc1ccccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159986757 197378024 /nfs/dbraw/zinc/37/80/24/197378024.db2.gz FDLJGFMUWPJFOF-CQSZACIVSA-N 0 0 314.385 2.811 20 70 DFIDRN Cc1cc(C)c(NC(=O)[C@H](C)n2cncn2)c(Br)c1 ZINC000159979885 197377607 /nfs/dbraw/zinc/37/76/07/197377607.db2.gz KTCGSBNIXOJAJF-JTQLQIEISA-N 0 0 323.194 2.857 20 70 DFIDRN c1coc(-c2nc(CSCCN3CCOCC3)cs2)c1 ZINC000159961496 197377055 /nfs/dbraw/zinc/37/70/55/197377055.db2.gz LSPUCAYSIHVNKP-UHFFFAOYSA-N 0 0 310.444 2.969 20 70 DFIDRN CC[C@H](C)CS(=O)(=O)Oc1cccc(NC(=O)C2CC2)c1 ZINC000159972495 197376775 /nfs/dbraw/zinc/37/67/75/197376775.db2.gz MKKOEIXTYVBRQN-NSHDSACASA-N 0 0 311.403 2.790 20 70 DFIDRN COc1ccc([C@H](NC(=O)N2CCC[C@](C)(O)C2)C(C)C)cc1 ZINC000159964763 197376544 /nfs/dbraw/zinc/37/65/44/197376544.db2.gz GYSCBNFCRUATHB-AEFFLSMTSA-N 0 0 320.433 2.949 20 70 DFIDRN CC[C@@H](C)CN(C)C(=O)Cc1cccc(S(=O)(=O)CC)c1 ZINC000159939798 197375030 /nfs/dbraw/zinc/37/50/30/197375030.db2.gz VQJSZRNQMPZXMZ-CYBMUJFWSA-N 0 0 311.447 2.527 20 70 DFIDRN Cc1cccc(C)c1NC(=O)[C@@H](C)SCCN1CCOCC1 ZINC000159919931 197374026 /nfs/dbraw/zinc/37/40/26/197374026.db2.gz JFCYSCSCSNDZGE-OAHLLOKOSA-N 0 0 322.474 2.696 20 70 DFIDRN CC(C)c1cccc(NC(=O)NCC2(CO)CCOCC2)c1 ZINC000159909866 197372500 /nfs/dbraw/zinc/37/25/00/197372500.db2.gz MQSZFFVSVVMSTL-UHFFFAOYSA-N 0 0 306.406 2.721 20 70 DFIDRN CC[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(OC)cc1 ZINC000159896772 197371958 /nfs/dbraw/zinc/37/19/58/197371958.db2.gz TUEUYACXCFAHKP-DOTOQJQBSA-N 0 0 306.406 2.703 20 70 DFIDRN CC(C)[C@H]1CC[C@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000159866591 197370459 /nfs/dbraw/zinc/37/04/59/197370459.db2.gz NJJLBXJDGNRNMK-BETUJISGSA-N 0 0 324.446 2.735 20 70 DFIDRN COC(=O)c1ccc(CS[C@H](C)C(=O)NCC(C)C)s1 ZINC000159889735 197370701 /nfs/dbraw/zinc/37/07/01/197370701.db2.gz VHOMDGFUWFHFOV-SNVBAGLBSA-N 0 0 315.460 2.929 20 70 DFIDRN CCCCO[C@H](C)C(=O)NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000159885173 197370568 /nfs/dbraw/zinc/37/05/68/197370568.db2.gz JMWQQNNDYUGZBY-BFYDXBDKSA-N 0 0 307.434 2.863 20 70 DFIDRN CC(C)c1ccc(C(=O)NC[C@@H](O)c2ccccc2F)cn1 ZINC000159872276 197370347 /nfs/dbraw/zinc/37/03/47/197370347.db2.gz PGJKYGPZLRQISL-MRXNPFEDSA-N 0 0 302.349 2.808 20 70 DFIDRN C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCCc2sccc21 ZINC000159869310 197369819 /nfs/dbraw/zinc/36/98/19/197369819.db2.gz KBAXCEMSRRNOKS-OBJOEFQTSA-N 0 0 309.431 2.826 20 70 DFIDRN Cc1ccc(OCCCNC(=O)c2ccnn2C(C)C)cc1 ZINC000159854212 197369290 /nfs/dbraw/zinc/36/92/90/197369290.db2.gz KPZSEXPDTNCBII-UHFFFAOYSA-N 0 0 301.390 2.971 20 70 DFIDRN Cc1ccc(OCC(=O)NCc2nc3cccc(C)c3n2C)cc1 ZINC000159834108 197367156 /nfs/dbraw/zinc/36/71/56/197367156.db2.gz YYIRONYCIKPJPC-UHFFFAOYSA-N 0 0 323.396 2.885 20 70 DFIDRN O=C(Nc1ccccc1F)N[C@H]1CCN(c2ccccn2)C1 ZINC000159824141 197367043 /nfs/dbraw/zinc/36/70/43/197367043.db2.gz IZRJKANKBHWCQI-LBPRGKRZSA-N 0 0 300.337 2.621 20 70 DFIDRN Cc1cnc([C@@H](C)CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)s1 ZINC000159820948 197367078 /nfs/dbraw/zinc/36/70/78/197367078.db2.gz GWSOLULZZQGCKK-WPRPVWTQSA-N 0 0 306.435 2.815 20 70 DFIDRN CCn1cc(C(=O)C(=O)N(Cc2ccc(C)s2)C(C)C)cn1 ZINC000159812752 197366727 /nfs/dbraw/zinc/36/67/27/197366727.db2.gz MJEFURHZUTZTFU-UHFFFAOYSA-N 0 0 319.430 2.893 20 70 DFIDRN CCN(CCS(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1C ZINC000159820507 197366609 /nfs/dbraw/zinc/36/66/09/197366609.db2.gz RFLKKZCPAOJRLE-UHFFFAOYSA-N 0 0 318.826 2.547 20 70 DFIDRN CO[C@H](C(=O)NCc1nc2cccc(C)c2n1C)c1ccccc1 ZINC000159801726 197365917 /nfs/dbraw/zinc/36/59/17/197365917.db2.gz GDSUDJJDMUKELI-SFHVURJKSA-N 0 0 323.396 2.886 20 70 DFIDRN CCCCS(=O)(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159789514 197364035 /nfs/dbraw/zinc/36/40/35/197364035.db2.gz DATYVWFMBKILTN-HOCLYGCPSA-N 0 0 311.447 2.874 20 70 DFIDRN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(OC)c2O)C12CCC2 ZINC000159485098 197357925 /nfs/dbraw/zinc/35/79/25/197357925.db2.gz JQPCDSFPUKWLJK-HUUCEWRRSA-N 0 0 319.401 2.821 20 70 DFIDRN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(OC)c2O)C12CCC2 ZINC000159484985 197357933 /nfs/dbraw/zinc/35/79/33/197357933.db2.gz JQPCDSFPUKWLJK-GJZGRUSLSA-N 0 0 319.401 2.821 20 70 DFIDRN COc1ccc(N(C)C(=O)C2(NC(C)=O)CCCCC2)cc1F ZINC000159763310 197362445 /nfs/dbraw/zinc/36/24/45/197362445.db2.gz SAPHKBMVPOQOGY-UHFFFAOYSA-N 0 0 322.380 2.636 20 70 DFIDRN COc1cccc(C(C)(C)CNC(=O)Nc2ccn(C)n2)c1 ZINC000159768711 197362581 /nfs/dbraw/zinc/36/25/81/197362581.db2.gz IQLCHQWCHSYOJB-UHFFFAOYSA-N 0 0 302.378 2.528 20 70 DFIDRN COC(=O)[C@H](NCC1(C)CCC1)c1cc(OC)cc(OC)c1 ZINC000159771462 197362253 /nfs/dbraw/zinc/36/22/53/197362253.db2.gz WPJXZHJKGRYOSA-OAHLLOKOSA-N 0 0 307.390 2.698 20 70 DFIDRN CSC[C@](C)(O)CNC(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000159476209 197357190 /nfs/dbraw/zinc/35/71/90/197357190.db2.gz SNGCOLARWQFQOV-RHSMWYFYSA-N 0 0 324.490 2.648 20 70 DFIDRN COc1cc(F)ccc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000159542470 197361338 /nfs/dbraw/zinc/36/13/38/197361338.db2.gz IPSBSTHHFJLSGE-SJCJKPOMSA-N 0 0 322.380 2.993 20 70 DFIDRN CCCC(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000159513064 197359346 /nfs/dbraw/zinc/35/93/46/197359346.db2.gz WFGAKJGGTKYSQQ-MRXNPFEDSA-N 0 0 303.381 2.578 20 70 DFIDRN COCCOCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159504872 197359147 /nfs/dbraw/zinc/35/91/47/197359147.db2.gz LDVPEXJNKFAFGU-AWEZNQCLSA-N 0 0 309.406 2.562 20 70 DFIDRN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)COc1ccc(C#N)cc1 ZINC000159462594 197354862 /nfs/dbraw/zinc/35/48/62/197354862.db2.gz SXWIKYHLJIGPRG-KSSFIOAISA-N 0 0 324.380 2.565 20 70 DFIDRN Cc1nn(C)c(SCc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000159436260 197353510 /nfs/dbraw/zinc/35/35/10/197353510.db2.gz OXNFOOIKVSYKMZ-UHFFFAOYSA-N 0 0 308.319 2.837 20 70 DFIDRN CCC[C@H]1CN(C(=O)N[C@H](C)CCc2ccc(O)cc2)CCO1 ZINC000159428241 197353214 /nfs/dbraw/zinc/35/32/14/197353214.db2.gz QOBFGOCGDHXKFZ-PBHICJAKSA-N 0 0 320.433 2.924 20 70 DFIDRN CCOc1ccccc1N(C)CC(=O)N(C)c1nccs1 ZINC000159419178 197352122 /nfs/dbraw/zinc/35/21/22/197352122.db2.gz UPYFBSYRRRPGOD-UHFFFAOYSA-N 0 0 305.403 2.641 20 70 DFIDRN CN([C@H]1CCSC1)S(=O)(=O)Cc1cccc2cccnc21 ZINC000159423168 197352189 /nfs/dbraw/zinc/35/21/89/197352189.db2.gz DBXNFAZLUSWVBY-AWEZNQCLSA-N 0 0 322.455 2.502 20 70 DFIDRN CCCOc1ccc2c(c1)CCN(Cc1nnc(CC)[nH]1)C2 ZINC000159409153 197351394 /nfs/dbraw/zinc/35/13/94/197351394.db2.gz NFCNPPXERPJPOM-UHFFFAOYSA-N 0 0 300.406 2.714 20 70 DFIDRN CCc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C)cc2)cc1 ZINC000159410883 197351559 /nfs/dbraw/zinc/35/15/59/197351559.db2.gz DEHNZLAZQSLKOR-QGZVFWFLSA-N 0 0 319.426 2.569 20 70 DFIDRN CN(CCC1CC1)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000159390622 197350441 /nfs/dbraw/zinc/35/04/41/197350441.db2.gz MNTGPCZHFXKUHW-UHFFFAOYSA-N 0 0 316.405 2.870 20 70 DFIDRN C[C@H](O)C[C@H](CNC(=O)Cc1ccsc1)c1ccccc1 ZINC000159377899 197349247 /nfs/dbraw/zinc/34/92/47/197349247.db2.gz SCCLJUXFCIMLSF-XJKSGUPXSA-N 0 0 303.427 2.962 20 70 DFIDRN C[C@H](O)C[C@@H](CNC(=O)Cc1ccsc1)c1ccccc1 ZINC000159377652 197348978 /nfs/dbraw/zinc/34/89/78/197348978.db2.gz SCCLJUXFCIMLSF-BBRMVZONSA-N 0 0 303.427 2.962 20 70 DFIDRN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000159367604 197348137 /nfs/dbraw/zinc/34/81/37/197348137.db2.gz GEPSLWJEHKUVFI-CMPLNLGQSA-N 0 0 320.370 2.898 20 70 DFIDRN C[C@H](CCO)NC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000159373234 197348604 /nfs/dbraw/zinc/34/86/04/197348604.db2.gz FVZRTSPXMWDYQK-VXGBXAGGSA-N 0 0 319.430 2.941 20 70 DFIDRN COC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C)C[C@@H](C)O ZINC000159455582 291778121 /nfs/dbraw/zinc/77/81/21/291778121.db2.gz FPADKWXILRINKX-PELKAZGASA-N 0 0 306.189 2.520 20 70 DFIDRN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc2nccnc2c1 ZINC000161477708 197498552 /nfs/dbraw/zinc/49/85/52/197498552.db2.gz NFZFKYDZRCSJHW-FCEWJHQRSA-N 0 0 315.376 2.946 20 70 DFIDRN C=CC1CCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000159393077 542717366 /nfs/dbraw/zinc/71/73/66/542717366.db2.gz ZHFFRLRRNMOKRQ-MRXNPFEDSA-N 0 0 319.449 2.528 20 70 DFIDRN CC(=O)N1CC[C@H](C(=O)N2C[C@H](C)CSc3ccccc32)C1 ZINC000159497736 542717458 /nfs/dbraw/zinc/71/74/58/542717458.db2.gz WYWDRZIJXUYXAV-JSGCOSHPSA-N 0 0 318.442 2.630 20 70 DFIDRN CCC(C)(CC)C(=O)NCc1ccc(S(=O)(=O)CC)cc1 ZINC000159450582 542717522 /nfs/dbraw/zinc/71/75/22/542717522.db2.gz JTXUENSNOQWRAE-UHFFFAOYSA-N 0 0 311.447 2.923 20 70 DFIDRN O=c1c2cc(Br)cc(F)c2ncn1CC(F)F ZINC000159629378 542718982 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C[C@@H]1CC[C@H](C)N1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000161479790 426025500 /nfs/dbraw/zinc/02/55/00/426025500.db2.gz BRHVKYMDWLAOKH-TXEJJXNPSA-N 0 0 314.345 2.794 20 70 DFIDRN CCC[C@H](CC)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000161469139 426025641 /nfs/dbraw/zinc/02/56/41/426025641.db2.gz RAHHSBZGTLKPRO-ZDUSSCGKSA-N 0 0 314.407 2.635 20 70 DFIDRN CC(C)c1cc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)n[nH]1 ZINC000161472859 426025833 /nfs/dbraw/zinc/02/58/33/426025833.db2.gz JPYNZOOKSBJLJN-NSHDSACASA-N 0 0 303.337 2.862 20 70 DFIDRN C[C@H]1CCN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)C[C@H]1C ZINC000161465190 426025905 /nfs/dbraw/zinc/02/59/05/426025905.db2.gz HWLOSVAMNHCDQZ-QWHCGFSZSA-N 0 0 313.405 2.992 20 70 DFIDRN CCC[C@@H](NC(=O)c1ccnn1C(C)C)C(=O)OC(C)(C)C ZINC000161471405 426025949 /nfs/dbraw/zinc/02/59/49/426025949.db2.gz HSVNCOVKKAFACD-GFCCVEGCSA-N 0 0 309.410 2.704 20 70 DFIDRN CC[C@@H](C)c1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)on1 ZINC000161484609 426026658 /nfs/dbraw/zinc/02/66/58/426026658.db2.gz 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C[C@@H]1CCO[C@@H]1C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000159594832 186129414 /nfs/dbraw/zinc/12/94/14/186129414.db2.gz QJMFMRIPFLTSRK-COXVUDFISA-N 0 0 321.392 2.758 20 70 DFIDRN COC(=O)CN(Cc1ncc(-c2ccccc2F)o1)C(C)C ZINC000159600915 186130166 /nfs/dbraw/zinc/13/01/66/186130166.db2.gz RIWGPBDYNGEXTH-UHFFFAOYSA-N 0 0 306.337 2.864 20 70 DFIDRN CN(C[C@H](O)COCc1ccccc1F)OCc1ccccc1 ZINC000159604724 186130280 /nfs/dbraw/zinc/13/02/80/186130280.db2.gz BCMZLRWRUUNYCU-KRWDZBQOSA-N 0 0 319.376 2.767 20 70 DFIDRN CC(C)COc1ccc([C@@H](C)NC(=O)[C@H]2CSC(=O)N2)cc1 ZINC000159629199 186131997 /nfs/dbraw/zinc/13/19/97/186131997.db2.gz WXWWUPUSFNBTAI-BXUZGUMPSA-N 0 0 322.430 2.724 20 70 DFIDRN Cc1oc(NC(=O)CN(C)OCc2ccccc2)c(C#N)c1C ZINC000159646791 186133111 /nfs/dbraw/zinc/13/31/11/186133111.db2.gz BCFBUAIIEWYITR-UHFFFAOYSA-N 0 0 313.357 2.770 20 70 DFIDRN c1ccc(-c2nc3c(c(N4CCOC[C@H]4C4CC4)n2)CCC3)nc1 ZINC000159661069 186133710 /nfs/dbraw/zinc/13/37/10/186133710.db2.gz BFTCSRMQRPTXCS-KRWDZBQOSA-N 0 0 322.412 2.643 20 70 DFIDRN CC1=C(C(=O)Nc2ccc(CN3CCOCC3)cc2)CCCO1 ZINC000159668281 186134297 /nfs/dbraw/zinc/13/42/97/186134297.db2.gz WFFIWSJAJDNBAX-UHFFFAOYSA-N 0 0 316.401 2.542 20 70 DFIDRN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCc4ccccc43)nn21 ZINC000159675322 186134874 /nfs/dbraw/zinc/13/48/74/186134874.db2.gz AEALLWBJKFBNCF-LBPRGKRZSA-N 0 0 309.329 2.779 20 70 DFIDRN CCOc1ccc(CCNC(=O)[C@@H]2CCCCO2)cc1OCC ZINC000159676023 186134893 /nfs/dbraw/zinc/13/48/93/186134893.db2.gz MKRHOJBCNJXVKG-INIZCTEOSA-N 0 0 321.417 2.712 20 70 DFIDRN CCCn1c(C)nnc1CN1C[C@H](C)Oc2ccc(OC)cc21 ZINC000159686055 186135209 /nfs/dbraw/zinc/13/52/09/186135209.db2.gz RXUSCFGPFPBWMQ-LBPRGKRZSA-N 0 0 316.405 2.793 20 70 DFIDRN c1cn(CCSc2nnc(-c3cccnc3)n2C2CC2)cn1 ZINC000159738551 186138463 /nfs/dbraw/zinc/13/84/63/186138463.db2.gz GLEOYMBFQPMETM-UHFFFAOYSA-N 0 0 312.402 2.664 20 70 DFIDRN CN(CCc1cccc2ccccc21)C(=O)C[C@@H]1COC(=O)C1 ZINC000159744676 186139021 /nfs/dbraw/zinc/13/90/21/186139021.db2.gz BDQHHOYCIBBWNB-AWEZNQCLSA-N 0 0 311.381 2.794 20 70 DFIDRN Cn1cc(CCNC(=O)c2cc(C(F)(F)F)ccc2F)cn1 ZINC000159746206 186139233 /nfs/dbraw/zinc/13/92/33/186139233.db2.gz CNRYEMYEOGGTBE-UHFFFAOYSA-N 0 0 315.270 2.551 20 70 DFIDRN O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161463627 304019916 /nfs/dbraw/zinc/01/99/16/304019916.db2.gz HNRALRVZZMVCAU-BDAKNGLRSA-N 0 0 302.300 2.978 20 70 DFIDRN CNC(=O)c1cccc(NC(=O)c2noc3c2CCCCC3)c1 ZINC000161426093 283490554 /nfs/dbraw/zinc/49/05/54/283490554.db2.gz QVQKOKYGYLSOLB-UHFFFAOYSA-N 0 0 313.357 2.555 20 70 DFIDRN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H](C)c1cccs1 ZINC000159672935 398965921 /nfs/dbraw/zinc/96/59/21/398965921.db2.gz NXWJJOYUWZPMDA-CHWSQXEVSA-N 0 0 308.447 2.711 20 70 DFIDRN CC[C@H]1CN(C(=O)Cc2csc(-c3ccoc3)n2)C[C@H](C)O1 ZINC000159779736 398966137 /nfs/dbraw/zinc/96/61/37/398966137.db2.gz UZOKJOXATVZCSE-FZMZJTMJSA-N 0 0 320.414 2.972 20 70 DFIDRN Cc1nccc(NC(=O)N[C@@H](C)C(=O)OC(C)(C)C)c1Cl ZINC000159670459 398966526 /nfs/dbraw/zinc/96/65/26/398966526.db2.gz BUXUEBBKUGTVFR-VIFPVBQESA-N 0 0 313.785 2.895 20 70 DFIDRN CC[C@@H](c1ccccc1)[S@@](=O)CCCCS(C)(=O)=O ZINC000160242988 398968884 /nfs/dbraw/zinc/96/88/84/398968884.db2.gz USYQUYFGGJMTQJ-KBXCAEBGSA-N 0 0 302.461 2.711 20 70 DFIDRN O=C(CNC(=O)CC1CCCC1)NCc1cc2ccccc2o1 ZINC000160291925 398970505 /nfs/dbraw/zinc/97/05/05/398970505.db2.gz BUZNZABZDGOXLQ-UHFFFAOYSA-N 0 0 314.385 2.746 20 70 DFIDRN CS(=O)(=O)c1ccccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160640271 398971780 /nfs/dbraw/zinc/97/17/80/398971780.db2.gz QKUITAJZLYBVEZ-JSGCOSHPSA-N 0 0 322.430 2.887 20 70 DFIDRN C[C@H](C#N)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000160629778 398971330 /nfs/dbraw/zinc/97/13/30/398971330.db2.gz JFRQOOIBURXQJG-RXMQYKEDSA-N 0 0 313.593 2.837 20 70 DFIDRN Cc1nn2cccnc2c1C(=O)NCCCSCC(C)C ZINC000160667519 398971473 /nfs/dbraw/zinc/97/14/73/398971473.db2.gz YKIXDXLAUOKNLZ-UHFFFAOYSA-N 0 0 306.435 2.547 20 70 DFIDRN CS(=O)(=O)CCCCSCc1noc2c1CCCC2 ZINC000160951252 398974287 /nfs/dbraw/zinc/97/42/87/398974287.db2.gz QYKRQSBLFRQZIA-UHFFFAOYSA-N 0 0 303.449 2.611 20 70 DFIDRN CCCN(CC)c1ccc(C(=O)N2CCC[C@H](OCC)C2)cn1 ZINC000161089686 398974372 /nfs/dbraw/zinc/97/43/72/398974372.db2.gz FPIQXFBCKYAJMM-INIZCTEOSA-N 0 0 319.449 2.959 20 70 DFIDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC1(C#N)CC1 ZINC000160967280 398974704 /nfs/dbraw/zinc/97/47/04/398974704.db2.gz MLZOXJWCYWGTJO-UHFFFAOYSA-N 0 0 305.403 2.827 20 70 DFIDRN CCOC(=O)C1CCC(NC(=O)Nc2ccc(C)nc2)CC1 ZINC000161484972 398977073 /nfs/dbraw/zinc/97/70/73/398977073.db2.gz BOQBQCSWQVOAJT-UHFFFAOYSA-N 0 0 305.378 2.633 20 70 DFIDRN CCC[C@H](NC(=O)[C@@H]1COc2ccccc21)C(=O)OC(C)(C)C ZINC000161431532 398977105 /nfs/dbraw/zinc/97/71/05/398977105.db2.gz XIHZWQHPSFFSPA-KGLIPLIRSA-N 0 0 319.401 2.789 20 70 DFIDRN Cc1ccc([C@H]2COCCN2C(=O)Nc2cnn(C(C)C)c2)o1 ZINC000161503355 398977184 /nfs/dbraw/zinc/97/71/84/398977184.db2.gz UGGOMPXMTCGZNS-CQSZACIVSA-N 0 0 318.377 2.971 20 70 DFIDRN COc1c(F)cc(NC(=O)N(C)[C@H]2CCSC2)cc1F 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O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cc(-c2ccccc2)n[nH]1 ZINC000159851339 197369154 /nfs/dbraw/zinc/36/91/54/197369154.db2.gz XIUPMWBFCMFQHM-CPUCHLNUSA-N 0 0 311.385 2.764 20 70 DFIDRN O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cc(-c2ccccc2)n[nH]1 ZINC000159851099 197369221 /nfs/dbraw/zinc/36/92/21/197369221.db2.gz XIUPMWBFCMFQHM-CKEIUWERSA-N 0 0 311.385 2.764 20 70 DFIDRN COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCCO1)CCCC2 ZINC000160348486 284514691 /nfs/dbraw/zinc/51/46/91/284514691.db2.gz NAJGHJLKZMXAMC-NSHDSACASA-N 0 0 323.414 2.921 20 70 DFIDRN COC(=O)c1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000159825624 197367444 /nfs/dbraw/zinc/36/74/44/197367444.db2.gz AOGIZEUIXQLROX-HNNXBMFYSA-N 0 0 317.385 2.695 20 70 DFIDRN CCOCc1ccc(CNC(=O)[C@@H]2CCC(=O)C[C@H]2C)cc1 ZINC000159823030 197367520 /nfs/dbraw/zinc/36/75/20/197367520.db2.gz HZWTURRQHKTIEY-CXAGYDPISA-N 0 0 303.402 2.845 20 70 DFIDRN CCCn1c(C)nnc1CNC1(c2noc(CC)n2)CCCC1 ZINC000159818866 197366748 /nfs/dbraw/zinc/36/67/48/197366748.db2.gz 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/nfs/dbraw/zinc/36/34/27/197363427.db2.gz CASXJVRKNRRILT-UHFFFAOYSA-N 0 0 315.442 2.898 20 70 DFIDRN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000159770273 197362654 /nfs/dbraw/zinc/36/26/54/197362654.db2.gz QXQZBGAZCYZAMI-CAHLUQPWSA-N 0 0 307.297 2.501 20 70 DFIDRN C[S@@](=O)Cc1cccc(NC(=O)CCCn2cccc2)c1 ZINC000159561174 197361614 /nfs/dbraw/zinc/36/16/14/197361614.db2.gz RWMKUJQJDNHTFB-NRFANRHFSA-N 0 0 304.415 2.786 20 70 DFIDRN CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159710505 197361620 /nfs/dbraw/zinc/36/16/20/197361620.db2.gz PKUQWQNYMHQOBN-INMHGKMJSA-N 0 0 322.474 2.736 20 70 DFIDRN O=c1oc(-c2ccco2)nn1Cc1noc(C2CCCCC2)n1 ZINC000159513483 197360050 /nfs/dbraw/zinc/36/00/50/197360050.db2.gz JNMUSYGHUUPRHY-UHFFFAOYSA-N 0 0 316.317 2.575 20 70 DFIDRN Cc1nc(C)n(-c2ccccc2NC(=O)c2c(C)noc2C)n1 ZINC000159500756 197358884 /nfs/dbraw/zinc/35/88/84/197358884.db2.gz KVDTXTIOOMFSQZ-UHFFFAOYSA-N 0 0 311.345 2.741 20 70 DFIDRN Cc1ccc(OC(=O)CCCNC(=O)c2cccnc2)cc1C ZINC000159508017 197359034 /nfs/dbraw/zinc/35/90/34/197359034.db2.gz RHKHQUONDKKBEL-UHFFFAOYSA-N 0 0 312.369 2.814 20 70 DFIDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)no1 ZINC000159483212 197356708 /nfs/dbraw/zinc/35/67/08/197356708.db2.gz HRNRILBAVILJKH-SNVBAGLBSA-N 0 0 316.361 2.780 20 70 DFIDRN CC(=O)c1cc(C(=O)N(C)CCOCc2ccccc2)n(C)c1 ZINC000159481923 197356546 /nfs/dbraw/zinc/35/65/46/197356546.db2.gz VWFWJCBDUHMCHM-UHFFFAOYSA-N 0 0 314.385 2.517 20 70 DFIDRN N#Cc1ccc(F)cc1CN1CCN(c2ccccc2C#N)CC1 ZINC000159464266 197356153 /nfs/dbraw/zinc/35/61/53/197356153.db2.gz HASQBHPPJDDBBX-UHFFFAOYSA-N 0 0 320.371 2.891 20 70 DFIDRN CSc1ccccc1NC(=O)C(=O)N1CCC2(CCC2)C1 ZINC000159456954 197355364 /nfs/dbraw/zinc/35/53/64/197355364.db2.gz TVIKVVSXSFTFCB-UHFFFAOYSA-N 0 0 304.415 2.750 20 70 DFIDRN O=C(Nc1cc(Cl)ccc1F)C(=O)N1CCC2(CCC2)C1 ZINC000159454799 197355009 /nfs/dbraw/zinc/35/50/09/197355009.db2.gz SIBIPJQPARNQNS-UHFFFAOYSA-N 0 0 310.756 2.820 20 70 DFIDRN CCOC(=O)NCCCC(=O)Nc1ccc2oc(CC)nc2c1 ZINC000159461740 197354838 /nfs/dbraw/zinc/35/48/38/197354838.db2.gz CXHYQAIVSXGXGH-UHFFFAOYSA-N 0 0 319.361 2.855 20 70 DFIDRN CC(C)c1ccc(C(=O)NC[C@]2(O)CCc3ccccc32)cn1 ZINC000159442557 197354441 /nfs/dbraw/zinc/35/44/41/197354441.db2.gz JOYHPCVUOJMENC-LJQANCHMSA-N 0 0 310.397 2.769 20 70 DFIDRN Cc1cc(S(=O)(=O)N(C)[C@H]2CCSC2)cc(C)c1F ZINC000159442809 197354497 /nfs/dbraw/zinc/35/44/97/197354497.db2.gz HRSILGZPQNDIBO-NSHDSACASA-N 0 0 303.424 2.569 20 70 DFIDRN Cc1nnnn1-c1cccc(NC(=O)c2cccn2C(C)C)c1 ZINC000159439464 197353420 /nfs/dbraw/zinc/35/34/20/197353420.db2.gz CDIXYLGABJKEQK-UHFFFAOYSA-N 0 0 310.361 2.605 20 70 DFIDRN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159425636 197352534 /nfs/dbraw/zinc/35/25/34/197352534.db2.gz IEEHYPQVEVOQPG-FXPVBKGRSA-N 0 0 315.339 2.838 20 70 DFIDRN CCc1nnc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 ZINC000159417625 197352606 /nfs/dbraw/zinc/35/26/06/197352606.db2.gz OGPQSRGTTSJSRY-CABCVRRESA-N 0 0 318.396 2.594 20 70 DFIDRN COC(=O)NCCCC(=O)Nc1cc(F)ccc1OC(F)F ZINC000159421141 197352451 /nfs/dbraw/zinc/35/24/51/197352451.db2.gz HODDEINZCQPKTR-UHFFFAOYSA-N 0 0 320.267 2.502 20 70 DFIDRN CCNC(=O)c1ccc(C)c(N[C@H](C)CCn2cccn2)c1 ZINC000159410912 197351695 /nfs/dbraw/zinc/35/16/95/197351695.db2.gz SDKXHCTWHRPLBM-CQSZACIVSA-N 0 0 300.406 2.832 20 70 DFIDRN O=C(Nc1cccc(C(F)F)c1)C(=O)N1CCC2(CCC2)C1 ZINC000159408238 197351520 /nfs/dbraw/zinc/35/15/20/197351520.db2.gz DQZIYCYFFNIZBE-UHFFFAOYSA-N 0 0 308.328 2.965 20 70 DFIDRN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)CCCn1cccc1 ZINC000159399203 197350169 /nfs/dbraw/zinc/35/01/69/197350169.db2.gz WLCKITPNLHCWAT-UHFFFAOYSA-N 0 0 323.437 2.688 20 70 DFIDRN O=C(Nc1cccc2cccnc21)C(=O)N1CCC2(CCC2)C1 ZINC000159396229 197350195 /nfs/dbraw/zinc/35/01/95/197350195.db2.gz QCRJKHLRHKMIID-UHFFFAOYSA-N 0 0 309.369 2.576 20 70 DFIDRN COc1ccc2cccc(CC(=O)NC[C@@H](O)C(C)(C)C)c2c1 ZINC000159384536 197349568 /nfs/dbraw/zinc/34/95/68/197349568.db2.gz SJAZQOOBHABGPB-QGZVFWFLSA-N 0 0 315.413 2.914 20 70 DFIDRN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NCCCOCC1CC1 ZINC000159376095 197348961 /nfs/dbraw/zinc/34/89/61/197348961.db2.gz IVWKMSMIQCMZJI-YOEHRIQHSA-N 0 0 320.433 2.615 20 70 DFIDRN CC(C)(C)OC(=O)CCNC(=O)N1CCc2cccc(F)c2C1 ZINC000159370630 197348829 /nfs/dbraw/zinc/34/88/29/197348829.db2.gz SUHMRIZMQDTFAT-UHFFFAOYSA-N 0 0 322.380 2.625 20 70 DFIDRN O=c1ccnc2sc(N[C@@H]3CCCc4sccc43)nn21 ZINC000161074171 285223704 /nfs/dbraw/zinc/22/37/04/285223704.db2.gz IWFCVYOOKIRUNQ-SECBINFHSA-N 0 0 304.400 2.702 20 70 DFIDRN Cc1nccc(NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c1Cl ZINC000159376895 542716935 /nfs/dbraw/zinc/71/69/35/542716935.db2.gz AGJMGXRNKFJNMN-GHMZBOCLSA-N 0 0 324.812 2.599 20 70 DFIDRN Cc1nccc(NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c1Cl ZINC000159377020 542717364 /nfs/dbraw/zinc/71/73/64/542717364.db2.gz AGJMGXRNKFJNMN-MNOVXSKESA-N 0 0 324.812 2.599 20 70 DFIDRN O=C(NCc1cccc(-c2ccccn2)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159643713 542718469 /nfs/dbraw/zinc/71/84/69/542718469.db2.gz STJMEPMIVBMLLT-NXHRZFHOSA-N 0 0 323.396 2.868 20 70 DFIDRN Cc1cc(NC(=O)CCCOc2ccc(F)cc2)c[nH]c1=O ZINC000159619811 542718641 /nfs/dbraw/zinc/71/86/41/542718641.db2.gz UJLHIYSPZDISTL-UHFFFAOYSA-N 0 0 304.321 2.620 20 70 DFIDRN CC(C)N(CCc1nccs1)C(=O)NCCn1cccc1 ZINC000159639547 542718978 /nfs/dbraw/zinc/71/89/78/542718978.db2.gz NHQKGCLMVBYUBA-UHFFFAOYSA-N 0 0 306.435 2.607 20 70 DFIDRN CCO[C@H]1C[C@@H](NC(=O)c2cncc(OC(C)C)c2)C12CCC2 ZINC000159745512 542719574 /nfs/dbraw/zinc/71/95/74/542719574.db2.gz LDNVLZDVNVVVTA-CVEARBPZSA-N 0 0 318.417 2.946 20 70 DFIDRN C[C@H](C(=O)N1CCc2c(F)cc(F)cc2C1)C1CCOCC1 ZINC000159910872 542720062 /nfs/dbraw/zinc/72/00/62/542720062.db2.gz MVRGIXLRXUXOPU-NSHDSACASA-N 0 0 309.356 2.912 20 70 DFIDRN CC(C)OC1CCC(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000159878871 542720064 /nfs/dbraw/zinc/72/00/64/542720064.db2.gz KOTQQXGHDHMLAL-MYBQVCMBSA-N 0 0 324.465 2.979 20 70 DFIDRN CN(CC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000159865635 542720070 /nfs/dbraw/zinc/72/00/70/542720070.db2.gz HTSWCQAATNIMBM-HNNXBMFYSA-N 0 0 302.418 2.731 20 70 DFIDRN C[C@@H](C(=O)N1CCc2c(F)cc(F)cc2C1)C1CCOCC1 ZINC000159911006 542720098 /nfs/dbraw/zinc/72/00/98/542720098.db2.gz MVRGIXLRXUXOPU-LLVKDONJSA-N 0 0 309.356 2.912 20 70 DFIDRN CCO[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(OC)cc2)C1 ZINC000159939518 542720247 /nfs/dbraw/zinc/72/02/47/542720247.db2.gz LDIXJVWLLWVLAY-RHSMWYFYSA-N 0 0 305.418 2.901 20 70 DFIDRN O=C(Cc1cccc(OC(F)(F)F)c1)NCC[C@@H]1CCCO1 ZINC000160642983 542723641 /nfs/dbraw/zinc/72/36/41/542723641.db2.gz BKSZTOKZXRKWTP-LBPRGKRZSA-N 0 0 317.307 2.813 20 70 DFIDRN Cc1cccc2[nH]c(CNC(=O)c3cc(F)cc4[nH]cnc43)nc21 ZINC000160459452 542722811 /nfs/dbraw/zinc/72/28/11/542722811.db2.gz KJBOOVBFIZMQRB-UHFFFAOYSA-N 0 0 323.331 2.817 20 70 DFIDRN O=C(NC1(CO)CC1)c1ccc(OCC2CCCCC2)cc1 ZINC000160330954 542722860 /nfs/dbraw/zinc/72/28/60/542722860.db2.gz YXVQNUPQJXIHHW-UHFFFAOYSA-N 0 0 303.402 2.900 20 70 DFIDRN Cc1ccc(NC(=O)NC2CC=CC2)cc1C(=O)NC(C)C ZINC000160410480 542723110 /nfs/dbraw/zinc/72/31/10/542723110.db2.gz MZJSZWWYBTTYAS-UHFFFAOYSA-N 0 0 301.390 2.973 20 70 DFIDRN COc1cc(NC(=O)N[C@@H](C)C2CCC2)ccc1NC(C)=O ZINC000161103011 542727043 /nfs/dbraw/zinc/72/70/43/542727043.db2.gz PCMBROCVCPCARA-JTQLQIEISA-N 0 0 305.378 2.964 20 70 DFIDRN CC(C)NC(=O)c1ccc(C(=O)NC[C@H]2Cc3ccccc32)cc1 ZINC000161084833 542727210 /nfs/dbraw/zinc/72/72/10/542727210.db2.gz LFFGOJLXIWUPJG-QGZVFWFLSA-N 0 0 322.408 2.895 20 70 DFIDRN CCCS(=O)(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000161101429 542727324 /nfs/dbraw/zinc/72/73/24/542727324.db2.gz AVANIORYGNQSED-GFCCVEGCSA-N 0 0 317.838 2.923 20 70 DFIDRN C[C@H](CC(=O)N[C@H](CC(N)=O)C1CCCCC1)c1ccncc1 ZINC000161236622 542727955 /nfs/dbraw/zinc/72/79/55/542727955.db2.gz TWIWMOYFDGZHMN-CZUORRHYSA-N 0 0 317.433 2.516 20 70 DFIDRN CCc1nc(-c2ccccc2NC(=O)[C@H](C)OCC2CC2)n[nH]1 ZINC000161166680 542727999 /nfs/dbraw/zinc/72/79/99/542727999.db2.gz IRGKKXQFANCJES-NSHDSACASA-N 0 0 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CC[C@H](C)[C@@H](O)CNC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000160768827 425995583 /nfs/dbraw/zinc/99/55/83/425995583.db2.gz BEJGERFJVYTPEZ-WFASDCNBSA-N 0 0 307.438 2.553 20 70 DFIDRN CCc1noc(C)c1NC(=O)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000160777920 425995726 /nfs/dbraw/zinc/99/57/26/425995726.db2.gz WPLYLTFZDKOMIS-QWRGUYRKSA-N 0 0 307.394 2.521 20 70 DFIDRN CCCOc1cccc(CC(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000160803370 425996878 /nfs/dbraw/zinc/99/68/78/425996878.db2.gz BMEQQYXRQSBPBX-UHFFFAOYSA-N 0 0 304.434 2.571 20 70 DFIDRN CCC[C@H](C)NC(=O)[C@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000160804899 425996889 /nfs/dbraw/zinc/99/68/89/425996889.db2.gz CJYPHEAAIAGOSE-KBPBESRZSA-N 0 0 320.433 2.705 20 70 DFIDRN CCOC(=O)C[C@@H](C)NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000160787543 425996934 /nfs/dbraw/zinc/99/69/34/425996934.db2.gz TZJIJGXUCRTYPN-SECBINFHSA-N 0 0 318.200 2.994 20 70 DFIDRN CC[C@@](C)(NC(=O)NCCCc1c[nH]nc1C)c1nccs1 ZINC000160796178 425997017 /nfs/dbraw/zinc/99/70/17/425997017.db2.gz 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DFIDRN CCS(=O)(=O)c1cccc(CC(=O)NCC2(C(C)C)CC2)c1 ZINC000160912292 426001497 /nfs/dbraw/zinc/00/14/97/426001497.db2.gz QDDRCIBYOWMMHU-UHFFFAOYSA-N 0 0 323.458 2.575 20 70 DFIDRN COC(=O)c1sccc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160921993 426001822 /nfs/dbraw/zinc/00/18/22/426001822.db2.gz RLFNEPYHSPQJLG-CZUORRHYSA-N 0 0 309.431 2.662 20 70 DFIDRN CC(C)C[C@@H](CO)NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000160936527 426001935 /nfs/dbraw/zinc/00/19/35/426001935.db2.gz XLACUYFBXWWFLU-HNNXBMFYSA-N 0 0 322.449 2.715 20 70 DFIDRN Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000160929711 426002119 /nfs/dbraw/zinc/00/21/19/426002119.db2.gz XQKOTYWOMPWCRN-ONGXEEELSA-N 0 0 310.394 2.631 20 70 DFIDRN COC(=O)NCc1ccc(N[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000160935519 426002226 /nfs/dbraw/zinc/00/22/26/426002226.db2.gz FBOVXDXXGQPMPV-NSHDSACASA-N 0 0 308.378 2.685 20 70 DFIDRN CN(Cc1cccn1C)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000160953847 426002493 /nfs/dbraw/zinc/00/24/93/426002493.db2.gz 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/nfs/dbraw/zinc/00/37/81/426003781.db2.gz DBZCAUVRULZEBT-MRXNPFEDSA-N 0 0 318.392 2.502 20 70 DFIDRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N(C)Cc2ccoc2C)C1 ZINC000160976719 426003999 /nfs/dbraw/zinc/00/39/99/426003999.db2.gz JQPZDWXHSQIXBR-BBRMVZONSA-N 0 0 320.433 2.831 20 70 DFIDRN C=C(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000161001199 426004139 /nfs/dbraw/zinc/00/41/39/426004139.db2.gz XFGHBWRKTOMTQN-MRXNPFEDSA-N 0 0 300.402 2.540 20 70 DFIDRN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000160997760 426004200 /nfs/dbraw/zinc/00/42/00/426004200.db2.gz OHFXIWZPMGNAND-GFCCVEGCSA-N 0 0 303.349 2.614 20 70 DFIDRN CCc1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)[nH]c(C)c1C(N)=O ZINC000160974921 426004367 /nfs/dbraw/zinc/00/43/67/426004367.db2.gz UAEQRYDQXMIKBK-GXFFZTMASA-N 0 0 305.422 2.635 20 70 DFIDRN O=C(NCCOc1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000159384639 425959535 /nfs/dbraw/zinc/95/95/35/425959535.db2.gz FJMIUEKBYVEXOD-UHFFFAOYSA-N 0 0 319.744 2.878 20 70 DFIDRN COc1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1Br ZINC000159408510 425959914 /nfs/dbraw/zinc/95/99/14/425959914.db2.gz OYPMMCMPQQCKKS-GWCFXTLKSA-N 0 0 314.223 2.660 20 70 DFIDRN Cn1c(COc2ccccc2)nnc1SCCOCC1CC1 ZINC000159407216 425960232 /nfs/dbraw/zinc/96/02/32/425960232.db2.gz DNYAVAOYMOWXIP-UHFFFAOYSA-N 0 0 319.430 2.913 20 70 DFIDRN CC[C@H](C)c1cc(C(=O)NCc2ccc(NC(N)=O)cc2)on1 ZINC000159415451 425960545 /nfs/dbraw/zinc/96/05/45/425960545.db2.gz QYEYBVXHOOUULJ-JTQLQIEISA-N 0 0 316.361 2.609 20 70 DFIDRN C[C@H]1CN(Cc2ccc(F)c(Br)c2)CC[C@@H]1O ZINC000159449405 425960706 /nfs/dbraw/zinc/96/07/06/425960706.db2.gz PYHLSGUXFLTIBW-ZANVPECISA-N 0 0 302.187 2.791 20 70 DFIDRN COCCOc1cccc(CC(=O)N2CCc3ccccc32)c1 ZINC000159442827 425960868 /nfs/dbraw/zinc/96/08/68/425960868.db2.gz FMKRNOFHUAJXRD-UHFFFAOYSA-N 0 0 311.381 2.844 20 70 DFIDRN CC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000159471875 425961044 /nfs/dbraw/zinc/96/10/44/425961044.db2.gz ZLUAXIAXPITBNL-RISCZKNCSA-N 0 0 307.350 2.982 20 70 DFIDRN CCCCn1ncc(C(=O)NCc2ccc(OC)cc2)c1C ZINC000159497048 425961756 /nfs/dbraw/zinc/96/17/56/425961756.db2.gz PNTAQGXFTPEKQQ-UHFFFAOYSA-N 0 0 301.390 2.930 20 70 DFIDRN C[C@H](NC(=O)c1ccnc(F)c1)c1ccccc1-n1cccn1 ZINC000159520487 425962098 /nfs/dbraw/zinc/96/20/98/425962098.db2.gz RBDGNTFVHRHSFH-LBPRGKRZSA-N 0 0 310.332 2.897 20 70 DFIDRN CC(C)(C)c1nsc(N[C@H]2CS(=O)(=O)c3ccccc32)n1 ZINC000159541458 425962331 /nfs/dbraw/zinc/96/23/31/425962331.db2.gz LIDQKZAYJJZDAD-JTQLQIEISA-N 0 0 323.443 2.776 20 70 DFIDRN CCn1cc(C(=O)NC[C@@H]2C[C@@]23CCCc2ccccc23)cn1 ZINC000159546508 425963069 /nfs/dbraw/zinc/96/30/69/425963069.db2.gz AGLFDVZXTNPQON-LPHOPBHVSA-N 0 0 309.413 2.927 20 70 DFIDRN Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159560934 425963106 /nfs/dbraw/zinc/96/31/06/425963106.db2.gz KVWUSMMDKZQBET-ZDUSSCGKSA-N 0 0 319.449 2.939 20 70 DFIDRN CN(CCc1nccs1)S(=O)(=O)CC1CCCCC1 ZINC000159608462 425963912 /nfs/dbraw/zinc/96/39/12/425963912.db2.gz JPXFPOPDGNPIAB-UHFFFAOYSA-N 0 0 302.465 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PMMCACFNLRRSCC-KBXCAEBGSA-N 0 0 320.433 2.573 20 70 DFIDRN COCCOc1cc(C)ccc1NC(=O)NC[C@@H](C)SC ZINC000161143406 197468488 /nfs/dbraw/zinc/46/84/88/197468488.db2.gz NURGMRAIONGWSZ-GFCCVEGCSA-N 0 0 312.435 2.893 20 70 DFIDRN Cc1ccc(NC(=O)C(=O)NCC2CCCCCCC2)cn1 ZINC000161117532 197466725 /nfs/dbraw/zinc/46/67/25/197466725.db2.gz IWJJJFLGDYYNEZ-UHFFFAOYSA-N 0 0 303.406 2.805 20 70 DFIDRN CCOC(=O)CN(C(=O)[C@]1(C)CCCO1)[C@H](C)c1ccccc1 ZINC000160984799 197454824 /nfs/dbraw/zinc/45/48/24/197454824.db2.gz XIYAPMHPCZHUCA-KDOFPFPSSA-N 0 0 319.401 2.708 20 70 DFIDRN COCC(C)(C)C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000161030399 197458404 /nfs/dbraw/zinc/45/84/04/197458404.db2.gz FODXKAXAZWOBQV-OAHLLOKOSA-N 0 0 307.434 2.578 20 70 DFIDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1nccs1 ZINC000160958228 197453196 /nfs/dbraw/zinc/45/31/96/197453196.db2.gz GWLLBNBJVODOIR-UHFFFAOYSA-N 0 0 318.324 2.700 20 70 DFIDRN COc1cccc(CO[C@@H](C)C(=O)Nc2cccc(F)n2)c1 ZINC000160937283 197452184 /nfs/dbraw/zinc/45/21/84/197452184.db2.gz GYLWUZLNEUKXLP-NSHDSACASA-N 0 0 304.321 2.773 20 70 DFIDRN CCOCCN(CC)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160908058 197449820 /nfs/dbraw/zinc/44/98/20/197449820.db2.gz BGLKNGKGAPETQN-DLBZAZTESA-N 0 0 320.433 2.975 20 70 DFIDRN COC(=O)C1(N(C)C(=O)C[C@@H](C)c2c(C)noc2C)CCCC1 ZINC000160869698 197445607 /nfs/dbraw/zinc/44/56/07/197445607.db2.gz MEDILIQENQEPLU-LLVKDONJSA-N 0 0 322.405 2.729 20 70 DFIDRN CC[C@@H](O)CCNC(=O)NCCCO[C@@H](C)c1ccccc1 ZINC000160820903 197440574 /nfs/dbraw/zinc/44/05/74/197440574.db2.gz MDSFHKZZEGUEMX-GOEBONIOSA-N 0 0 308.422 2.615 20 70 DFIDRN COc1ccc(OC(F)F)c(NC(=O)N[C@]2(C)CCOC2)c1 ZINC000160845791 197444197 /nfs/dbraw/zinc/44/41/97/197444197.db2.gz JQTAMSPGZWLVKI-CQSZACIVSA-N 0 0 316.304 2.597 20 70 DFIDRN CCCCN(C)C(=O)CSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000160689195 197432435 /nfs/dbraw/zinc/43/24/35/197432435.db2.gz ISORYBNKRAKFGY-UHFFFAOYSA-N 0 0 317.798 2.994 20 70 DFIDRN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cnn(C)c2)o1 ZINC000160631915 197427340 /nfs/dbraw/zinc/42/73/40/197427340.db2.gz GALMKNILBGCWCY-AWEZNQCLSA-N 0 0 323.418 2.628 20 70 DFIDRN COCCCn1ccc(NC(=O)N(Cc2ccccc2)OC)n1 ZINC000160588497 197424978 /nfs/dbraw/zinc/42/49/78/197424978.db2.gz YLZHYECYVFHEQF-UHFFFAOYSA-N 0 0 318.377 2.515 20 70 DFIDRN O=C(Nc1ccn(CC(F)(F)F)n1)N1C[C@@H]2CCC[C@H]2C1 ZINC000160593519 197424674 /nfs/dbraw/zinc/42/46/74/197424674.db2.gz WLWIWSPHLPCCQD-UWVGGRQHSA-N 0 0 302.300 2.709 20 70 DFIDRN CC(C)=CCC[C@@]1(C)NC(=O)N(Cc2ncc(Cl)n2C)C1=O ZINC000160472669 197413768 /nfs/dbraw/zinc/41/37/68/197413768.db2.gz AMGPECZQKOWXGL-OAHLLOKOSA-N 0 0 324.812 2.630 20 70 DFIDRN C[C@@H](CO)CNC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000160509582 197417255 /nfs/dbraw/zinc/41/72/55/197417255.db2.gz ZMQNMIQRKPYXSX-RKDXNWHRSA-N 0 0 306.189 2.505 20 70 DFIDRN COc1ccccc1N1CC[C@H](CNC(=O)NC2(C)CCC2)C1 ZINC000160390317 197406374 /nfs/dbraw/zinc/40/63/74/197406374.db2.gz DGBOXDSKZJUXSR-CQSZACIVSA-N 0 0 317.433 2.763 20 70 DFIDRN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cc(CC)nn1C ZINC000160421437 197408810 /nfs/dbraw/zinc/40/88/10/197408810.db2.gz GFSZBQFHOLIZOZ-CQSZACIVSA-N 0 0 308.426 2.796 20 70 DFIDRN Cc1csc(C(C)(C)NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)n1 ZINC000160419096 197408462 /nfs/dbraw/zinc/40/84/62/197408462.db2.gz ISOPGSWRPILNMP-OLZOCXBDSA-N 0 0 323.462 2.943 20 70 DFIDRN CSc1cc(C(=O)N(C)CC(=O)OC(C)(C)C)ccc1F ZINC000160320602 197399979 /nfs/dbraw/zinc/39/99/79/197399979.db2.gz PKTJVASWLUAGOQ-UHFFFAOYSA-N 0 0 313.394 2.961 20 70 DFIDRN CC(C)(C)c1nsc(NCc2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000160316953 197399726 /nfs/dbraw/zinc/39/97/26/197399726.db2.gz HCUVOFXVWRWRAV-UHFFFAOYSA-N 0 0 303.391 2.617 20 70 DFIDRN Cc1cc(C(=O)N(C)c2ccc3c(c2)OCO3)nn1C(C)(C)C ZINC000160290343 197398311 /nfs/dbraw/zinc/39/83/11/197398311.db2.gz JUERWGGNNZEVEI-UHFFFAOYSA-N 0 0 315.373 2.952 20 70 DFIDRN CCc1nc(CC(=O)N(C)c2ccc3c(c2)OCO3)cs1 ZINC000160290898 197398094 /nfs/dbraw/zinc/39/80/94/197398094.db2.gz OWKKBWPFSNEPLX-UHFFFAOYSA-N 0 0 304.371 2.640 20 70 DFIDRN Cc1cc(C(=O)NC[C@H](O)C(C)C)ccc1Br ZINC000160267388 197396408 /nfs/dbraw/zinc/39/64/08/197396408.db2.gz BWWYNJYMCMENDE-LBPRGKRZSA-N 0 0 300.196 2.504 20 70 DFIDRN CC(C)CONC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000160245729 197395109 /nfs/dbraw/zinc/39/51/09/197395109.db2.gz QWEJTORTQNSBIQ-CQSZACIVSA-N 0 0 321.421 2.789 20 70 DFIDRN C[C@@H](NC(=O)c1cn(C)nc1-c1cccs1)C1CCOCC1 ZINC000160238132 197395143 /nfs/dbraw/zinc/39/51/43/197395143.db2.gz PUUQYGFHBZCLFJ-LLVKDONJSA-N 0 0 319.430 2.694 20 70 DFIDRN CC(C)c1ccccc1OCCC(=O)NC[C@@]1(O)CCSC1 ZINC000160221383 197394141 /nfs/dbraw/zinc/39/41/41/197394141.db2.gz DSYGSUAPFUQRHD-KRWDZBQOSA-N 0 0 323.458 2.563 20 70 DFIDRN C[C@@H]1CN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CCS1 ZINC000160223346 197393560 /nfs/dbraw/zinc/39/35/60/197393560.db2.gz DYHDPKNMRLJSMH-IUODEOHRSA-N 0 0 322.430 2.824 20 70 DFIDRN COc1ccc(C)cc1[C@H](C)OC(=O)CCc1ccnn1C ZINC000160208511 197392938 /nfs/dbraw/zinc/39/29/38/197392938.db2.gz NUELWLDENWCNTA-ZDUSSCGKSA-N 0 0 302.374 2.974 20 70 DFIDRN CC(C)OC(=O)CCCNC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000160189335 197392020 /nfs/dbraw/zinc/39/20/20/197392020.db2.gz OGZCHQAIPFOCND-CYBMUJFWSA-N 0 0 322.405 2.826 20 70 DFIDRN C[C@H](C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)c1cccs1 ZINC000160170772 197390495 /nfs/dbraw/zinc/39/04/95/197390495.db2.gz KDAPDIWQZRQOJL-AVGNSLFASA-N 0 0 308.447 2.757 20 70 DFIDRN COc1cc(C(=O)N(C[C@H]2CCOC2)C2CC2)ccc1Cl ZINC000160065800 197383652 /nfs/dbraw/zinc/38/36/52/197383652.db2.gz GGVGIQVIYUMUFU-LLVKDONJSA-N 0 0 309.793 2.990 20 70 DFIDRN Cc1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)nc3C)C2)n1 ZINC000160046534 197381602 /nfs/dbraw/zinc/38/16/02/197381602.db2.gz HTHYRJMDJBJRSN-LLVKDONJSA-N 0 0 320.780 2.755 20 70 DFIDRN CCOCCCCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160146621 197388511 /nfs/dbraw/zinc/38/85/11/197388511.db2.gz VKHHRMWNAHAHPD-INIZCTEOSA-N 0 0 322.405 2.793 20 70 DFIDRN COc1cccc(Cl)c1CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000160135720 197388072 /nfs/dbraw/zinc/38/80/72/197388072.db2.gz GELKYTNXDYBLKM-GTTSAUCSSA-N 0 0 323.820 2.821 20 70 DFIDRN CCC(O)(CC)CNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160134917 197388114 /nfs/dbraw/zinc/38/81/14/197388114.db2.gz WTZMVJIMVHVQIB-HNNXBMFYSA-N 0 0 322.405 2.527 20 70 DFIDRN CN(CC(C)(C)CN1CCOCC1)C(=O)c1cccc(Cl)c1 ZINC000160128425 197388193 /nfs/dbraw/zinc/38/81/93/197388193.db2.gz VAWXNQSAIDXGBV-UHFFFAOYSA-N 0 0 324.852 2.770 20 70 DFIDRN CC(C)OC(=O)CCCNC(=O)N[C@H](C)CNc1ccccc1 ZINC000160116044 197387282 /nfs/dbraw/zinc/38/72/82/197387282.db2.gz UUOQRKNVFBTNCS-CQSZACIVSA-N 0 0 321.421 2.518 20 70 DFIDRN CC[C@H](NC(=O)C(=O)Nc1nocc1C)c1ccc(Cl)cc1 ZINC000160116274 197386905 /nfs/dbraw/zinc/38/69/05/197386905.db2.gz JNMVQSQOPVREFL-LBPRGKRZSA-N 0 0 321.764 2.842 20 70 DFIDRN CN(C(=O)Nc1ccccc1N1CCCC1=O)[C@@H]1CCSC1 ZINC000160105830 197386633 /nfs/dbraw/zinc/38/66/33/197386633.db2.gz SROPJFIBIZMEFH-GFCCVEGCSA-N 0 0 319.430 2.783 20 70 DFIDRN Cc1nc(Cl)cc(N2CCN([C@H](C)c3ccccn3)CC2)n1 ZINC000160097015 197385274 /nfs/dbraw/zinc/38/52/74/197385274.db2.gz LFTMTTQHYXLZKQ-GFCCVEGCSA-N 0 0 317.824 2.717 20 70 DFIDRN CN(CC1CCOCC1)C(=O)NCc1nc(C2CC2)cs1 ZINC000160085749 197384415 /nfs/dbraw/zinc/38/44/15/197384415.db2.gz YQZUZSBDIDAZRQ-UHFFFAOYSA-N 0 0 309.435 2.589 20 70 DFIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000160034670 197381074 /nfs/dbraw/zinc/38/10/74/197381074.db2.gz YNLZVIQPXFVGGI-CHWSQXEVSA-N 0 0 300.383 2.898 20 70 DFIDRN Cc1cncc(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC000160019993 197380428 /nfs/dbraw/zinc/38/04/28/197380428.db2.gz LBGVBZOGPIPVEM-KRWDZBQOSA-N 0 0 318.421 2.622 20 70 DFIDRN COc1ccc(Cl)cc1[C@H](CC(C)C)NS(C)(=O)=O ZINC000160018851 197379996 /nfs/dbraw/zinc/37/99/96/197379996.db2.gz OANLLDOEFKXETO-LBPRGKRZSA-N 0 0 305.827 2.985 20 70 DFIDRN O=S1(=O)CCC[C@H]1CNc1ccnc2c(F)cc(F)cc12 ZINC000160001842 197379722 /nfs/dbraw/zinc/37/97/22/197379722.db2.gz DFGSMABAXGKNSK-JTQLQIEISA-N 0 0 312.341 2.502 20 70 DFIDRN Clc1cccc(C#CCN2CCC[C@H](n3cncn3)C2)c1 ZINC000160007912 197379745 /nfs/dbraw/zinc/37/97/45/197379745.db2.gz POWQYVOUEGDEPM-INIZCTEOSA-N 0 0 300.793 2.620 20 70 DFIDRN COc1ccc(NC(=O)N(C)CCc2nccs2)c(OC)c1 ZINC000159987792 197379107 /nfs/dbraw/zinc/37/91/07/197379107.db2.gz AYVRKIVNGDQIQO-UHFFFAOYSA-N 0 0 321.402 2.867 20 70 DFIDRN Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCc2sccc21 ZINC000159991791 197379032 /nfs/dbraw/zinc/37/90/32/197379032.db2.gz YJPYLMSQAMHKNB-AWEZNQCLSA-N 0 0 303.431 2.835 20 70 DFIDRN COc1cc(N[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000159995004 197379067 /nfs/dbraw/zinc/37/90/67/197379067.db2.gz HIJYOUNMJDNDRY-JTQLQIEISA-N 0 0 310.350 2.982 20 70 DFIDRN CC[C@@H](C)CS(=O)(=O)Oc1cccc(NC(=O)C2CC2)c1 ZINC000159972353 197376520 /nfs/dbraw/zinc/37/65/20/197376520.db2.gz MKKOEIXTYVBRQN-LLVKDONJSA-N 0 0 311.403 2.790 20 70 DFIDRN CC(=O)C[C@H](C)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000159961766 197376641 /nfs/dbraw/zinc/37/66/41/197376641.db2.gz JSXSLTQQEQVKLD-JTQLQIEISA-N 0 0 324.218 2.965 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ZINC000160103575 197386353 /nfs/dbraw/zinc/38/63/53/197386353.db2.gz YSSUEMBWASQGDA-CQSZACIVSA-N 0 0 309.417 2.632 20 70 DFIDRN CN(CCC1CC1)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000160091282 197385675 /nfs/dbraw/zinc/38/56/75/197385675.db2.gz WUZPSEGRKBWLKS-UHFFFAOYSA-N 0 0 317.311 2.674 20 70 DFIDRN CC(C)(C)c1nc(CS(=O)(=O)C2CCOCC2)cs1 ZINC000160093810 197385256 /nfs/dbraw/zinc/38/52/56/197385256.db2.gz KIXYBYLISGZBOK-UHFFFAOYSA-N 0 0 303.449 2.534 20 70 DFIDRN CC(C)c1cc(C(=O)NCCn2ccnc2)nn1-c1ccccc1 ZINC000160022701 197380489 /nfs/dbraw/zinc/38/04/89/197380489.db2.gz VPTGCEODVCBGMW-UHFFFAOYSA-N 0 0 323.400 2.622 20 70 DFIDRN CCOCCC1(CNC(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000159975824 197377973 /nfs/dbraw/zinc/37/79/73/197377973.db2.gz SBQJMTLUPKDDSL-UHFFFAOYSA-N 0 0 320.389 2.802 20 70 DFIDRN CC(=O)Nc1nc(C(=O)OCc2nc(C)sc2C)cs1 ZINC000159968676 197377266 /nfs/dbraw/zinc/37/72/66/197377266.db2.gz ISSXAQLIAIUKBJ-UHFFFAOYSA-N 0 0 311.388 2.532 20 70 DFIDRN CC(=O)Nc1ccc(Cl)c(C(=O)N(CCC#N)CCC#N)c1 ZINC000159967122 197376984 /nfs/dbraw/zinc/37/69/84/197376984.db2.gz RECIEPXMXPSKLP-UHFFFAOYSA-N 0 0 318.764 2.568 20 70 DFIDRN COc1ccc([C@@H](NC(=O)N2CCC[C@@](C)(O)C2)C(C)C)cc1 ZINC000159964385 197377049 /nfs/dbraw/zinc/37/70/49/197377049.db2.gz GYSCBNFCRUATHB-FUHWJXTLSA-N 0 0 320.433 2.949 20 70 DFIDRN O=C([C@H](O)c1ccccc1Cl)N1CCO[C@@H]2CCCC[C@H]21 ZINC000159972922 197377085 /nfs/dbraw/zinc/37/70/85/197377085.db2.gz MTQABSDQDLTQNY-RBSFLKMASA-N 0 0 309.793 2.543 20 70 DFIDRN CC1(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CCC1 ZINC000159968730 197376473 /nfs/dbraw/zinc/37/64/73/197376473.db2.gz LTTPGSIQUZUZTK-CYBMUJFWSA-N 0 0 305.397 2.894 20 70 DFIDRN O=C(Nc1cccnc1-c1ccccc1)C(=O)NC1CCCC1 ZINC000159953828 197376023 /nfs/dbraw/zinc/37/60/23/197376023.db2.gz AORNBWUEGALJEV-UHFFFAOYSA-N 0 0 309.369 2.746 20 70 DFIDRN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)c(F)c1 ZINC000159920038 197374197 /nfs/dbraw/zinc/37/41/97/197374197.db2.gz HCKYRMPQDFTTPT-AWEZNQCLSA-N 0 0 307.369 2.655 20 70 DFIDRN Clc1ccc2nc(CSCCN3CCOCC3)cn2c1 ZINC000159929126 197373279 /nfs/dbraw/zinc/37/32/79/197373279.db2.gz YITNBEFYAQJKIE-UHFFFAOYSA-N 0 0 311.838 2.553 20 70 DFIDRN CCCCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000159909622 197372946 /nfs/dbraw/zinc/37/29/46/197372946.db2.gz QTNPNWFADXQPRQ-UHFFFAOYSA-N 0 0 317.389 2.590 20 70 DFIDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000159905194 197372988 /nfs/dbraw/zinc/37/29/88/197372988.db2.gz POVNPGWQLJINLO-RVKKMQEKSA-N 0 0 314.429 2.634 20 70 DFIDRN C[C@H](CC(=O)NC1(C(N)=O)CCCCC1)c1ccc(F)cc1F ZINC000159906784 197372822 /nfs/dbraw/zinc/37/28/22/197372822.db2.gz MAHLFJZWSOANBX-LLVKDONJSA-N 0 0 324.371 2.763 20 70 DFIDRN COc1cccc(CCC(=O)N[C@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000159909690 197372350 /nfs/dbraw/zinc/37/23/50/197372350.db2.gz PYPUSPBFQNMGAN-IKGGRYGDSA-N 0 0 303.402 2.702 20 70 DFIDRN CC1(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCCC1 ZINC000159898628 197371764 /nfs/dbraw/zinc/37/17/64/197371764.db2.gz GKZWHIDITZHISN-UHFFFAOYSA-N 0 0 310.419 2.633 20 70 DFIDRN O=C(CCn1ccc2cc(Cl)ccc21)NC[C@@H]1CCOC1 ZINC000159876730 197370985 /nfs/dbraw/zinc/37/09/85/197370985.db2.gz DNWSOIRNWNWMRJ-LBPRGKRZSA-N 0 0 306.793 2.838 20 70 DFIDRN O=C(N[C@@H]1CCCc2sccc21)[C@@H]1CCc2c[nH]nc2C1 ZINC000159877567 197370517 /nfs/dbraw/zinc/37/05/17/197370517.db2.gz CWHULTYABUVNMO-ZWNOBZJWSA-N 0 0 301.415 2.770 20 70 DFIDRN C=C[C@@H](CC(=O)NC1CCN(C(=O)OC)CC1)c1ccccc1 ZINC000159838493 197368582 /nfs/dbraw/zinc/36/85/82/197368582.db2.gz DVXRSTJESYBERP-AWEZNQCLSA-N 0 0 316.401 2.693 20 70 DFIDRN Cc1cccc([C@@H](NC(=O)C[C@H]2COC(=O)C2)c2ccccn2)c1 ZINC000159832297 197367515 /nfs/dbraw/zinc/36/75/15/197367515.db2.gz BEDMNLYVQJIBDL-AUUYWEPGSA-N 0 0 324.380 2.549 20 70 DFIDRN CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCCc2sccc21 ZINC000159831219 197366893 /nfs/dbraw/zinc/36/68/93/197366893.db2.gz RZEHXMDGZPMSIW-LBPRGKRZSA-N 0 0 308.447 2.794 20 70 DFIDRN COc1cccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c1O ZINC000159811502 197366347 /nfs/dbraw/zinc/36/63/47/197366347.db2.gz GDJIXOYVKMAXEX-LBPRGKRZSA-N 0 0 305.374 2.622 20 70 DFIDRN O=C(C=C1CCC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000159809339 197366694 /nfs/dbraw/zinc/36/66/94/197366694.db2.gz JCLBMQCSNXCXKA-CQSZACIVSA-N 0 0 322.767 2.811 20 70 DFIDRN COc1cccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c1O ZINC000159811357 197366082 /nfs/dbraw/zinc/36/60/82/197366082.db2.gz GDJIXOYVKMAXEX-GFCCVEGCSA-N 0 0 305.374 2.622 20 70 DFIDRN CNC(=O)CCCN(C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000159818669 197366048 /nfs/dbraw/zinc/36/60/48/197366048.db2.gz KTUKCMRVWRUDHU-UHFFFAOYSA-N 0 0 305.422 2.974 20 70 DFIDRN CN(C)C(=O)CCCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159788407 197364389 /nfs/dbraw/zinc/36/43/89/197364389.db2.gz SIYJBLRVAHGSEE-CQSZACIVSA-N 0 0 318.417 2.664 20 70 DFIDRN CC(C)CS(=O)(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159793910 197364127 /nfs/dbraw/zinc/36/41/27/197364127.db2.gz FMJFPCNKYAGOEM-HOCLYGCPSA-N 0 0 311.447 2.730 20 70 DFIDRN CC[C@@H]1CN(C(=O)c2coc(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000159783233 197364668 /nfs/dbraw/zinc/36/46/68/197364668.db2.gz LWTAHULGWZJOFU-TZMCWYRMSA-N 0 0 300.358 2.981 20 70 DFIDRN COc1ccc(CN(C)S(=O)(=O)c2ccccc2C)cc1O ZINC000159784703 197364684 /nfs/dbraw/zinc/36/46/84/197364684.db2.gz RAZRWFLYMMZARE-UHFFFAOYSA-N 0 0 321.398 2.530 20 70 DFIDRN CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159773277 197363905 /nfs/dbraw/zinc/36/39/05/197363905.db2.gz OOXOEOGIRYNPDX-RCBQFDQVSA-N 0 0 317.433 2.968 20 70 DFIDRN Cc1ccc2cccc(NC(=O)N(C)[C@@H](C)C[S@](C)=O)c2n1 ZINC000159775403 197363692 /nfs/dbraw/zinc/36/36/92/197363692.db2.gz NTTLWDPDFNTWEX-AMXDTQDGSA-N 0 0 319.430 2.774 20 70 DFIDRN O=C(CCC(=O)c1ccc(F)cc1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000159764481 197363033 /nfs/dbraw/zinc/36/30/33/197363033.db2.gz LKOQZRNWWUAHPW-BFYDXBDKSA-N 0 0 319.376 2.862 20 70 DFIDRN Cn1c(S[C@@H]2CCOC2=O)nnc1-c1cccc(Cl)c1 ZINC000159762785 197362918 /nfs/dbraw/zinc/36/29/18/197362918.db2.gz AKQKGUWFHJFQFJ-SNVBAGLBSA-N 0 0 309.778 2.543 20 70 DFIDRN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000159489340 197357405 /nfs/dbraw/zinc/35/74/05/197357405.db2.gz GDOABGCPHPWCNC-JMSVASOKSA-N 0 0 308.397 2.739 20 70 DFIDRN CCCC(=O)N[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000159513211 197359743 /nfs/dbraw/zinc/35/97/43/197359743.db2.gz WFGAKJGGTKYSQQ-INIZCTEOSA-N 0 0 303.381 2.578 20 70 DFIDRN COc1ncccc1NC(=O)N1CCc2cccc(F)c2C1 ZINC000159467829 197356355 /nfs/dbraw/zinc/35/63/55/197356355.db2.gz XHVUYCLPKLRGLK-UHFFFAOYSA-N 0 0 301.321 2.820 20 70 DFIDRN CCOCCC1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000159472296 197356139 /nfs/dbraw/zinc/35/61/39/197356139.db2.gz ACFBVALLAHBPFV-UHFFFAOYSA-N 0 0 320.389 2.850 20 70 DFIDRN COc1ccccc1CC(=O)N(C)CCOCc1ccccc1 ZINC000159469505 197356225 /nfs/dbraw/zinc/35/62/25/197356225.db2.gz XYVQCOFWEINDRY-UHFFFAOYSA-N 0 0 313.397 2.913 20 70 DFIDRN CCn1cnnc1[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000159441742 197354366 /nfs/dbraw/zinc/35/43/66/197354366.db2.gz QIUJUHKNIMKCQN-AWEZNQCLSA-N 0 0 313.380 2.688 20 70 DFIDRN COC(=O)[C@H](N[C@H](C)c1cccc(F)c1F)c1cccnc1 ZINC000159446621 197353920 /nfs/dbraw/zinc/35/39/20/197353920.db2.gz KCPGAMSZTHPFRU-MEBBXXQBSA-N 0 0 306.312 2.925 20 70 DFIDRN Cc1ccc(Cc2nnc(NC(=O)C[C@H](O)C(C)C)s2)cc1 ZINC000159475032 197356925 /nfs/dbraw/zinc/35/69/25/197356925.db2.gz IBBSZTFRRKCHLL-ZDUSSCGKSA-N 0 0 319.430 2.783 20 70 DFIDRN COc1ccc(CC(=O)N(C)CCOCc2ccccc2)cc1 ZINC000159424310 197352583 /nfs/dbraw/zinc/35/25/83/197352583.db2.gz QMOPOYXLNVBQOL-UHFFFAOYSA-N 0 0 313.397 2.913 20 70 DFIDRN O=C(NC[C@]1(O)CCc2ccccc21)[C@@H]1CCOc2ccccc21 ZINC000159414712 197351196 /nfs/dbraw/zinc/35/11/96/197351196.db2.gz ZATDIPNIAFZJTH-OXQOHEQNSA-N 0 0 323.392 2.503 20 70 DFIDRN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(F)c1F ZINC000159400111 197350222 /nfs/dbraw/zinc/35/02/22/197350222.db2.gz LOXYCOXHAZDTTL-KCJUWKMLSA-N 0 0 322.277 2.779 20 70 DFIDRN C[C@@H](CCn1cccn1)Nc1ccc(CN2CCOCC2)cc1 ZINC000159394637 197350474 /nfs/dbraw/zinc/35/04/74/197350474.db2.gz JGCSJXWXXUACAO-INIZCTEOSA-N 0 0 314.433 2.606 20 70 DFIDRN COc1ccc2cccc(CC(=O)NC[C@H](O)C(C)(C)C)c2c1 ZINC000159384671 197349710 /nfs/dbraw/zinc/34/97/10/197349710.db2.gz SJAZQOOBHABGPB-KRWDZBQOSA-N 0 0 315.413 2.914 20 70 DFIDRN CCOCc1cccc(NC(=O)C(=O)N2CCC3(CCC3)C2)c1 ZINC000159370213 197348642 /nfs/dbraw/zinc/34/86/42/197348642.db2.gz XOCJBOKKYUTQKX-UHFFFAOYSA-N 0 0 316.401 2.564 20 70 DFIDRN N#Cc1ccc(C(=O)NCCCCOCCc2ccccc2)[nH]1 ZINC000159372003 197348488 /nfs/dbraw/zinc/34/84/88/197348488.db2.gz NHDUSDKXTFJUMB-UHFFFAOYSA-N 0 0 311.385 2.656 20 70 DFIDRN O=C(C[C@H]1COC(=O)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000161049973 197460574 /nfs/dbraw/zinc/46/05/74/197460574.db2.gz PGYYMQPAOSEEQT-CYBMUJFWSA-N 0 0 324.380 2.737 20 70 DFIDRN O=C(NCCC1=CCCC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000161117268 197466581 /nfs/dbraw/zinc/46/65/81/197466581.db2.gz BISBBVDBRWAYRX-UHFFFAOYSA-N 0 0 301.346 2.639 20 70 DFIDRN Cc1nnc(SCc2ccnn2C)n1CCc1cccs1 ZINC000161368956 197489683 /nfs/dbraw/zinc/48/96/83/197489683.db2.gz CFDCWWQXTSHDDQ-UHFFFAOYSA-N 0 0 319.459 2.917 20 70 DFIDRN CCOc1ccccc1C=CC(=O)NNc1ccc(OC)cn1 ZINC000159421240 542717985 /nfs/dbraw/zinc/71/79/85/542717985.db2.gz FSOKGKZCYBBRLE-DHZHZOJOSA-N 0 0 313.357 2.645 20 70 DFIDRN C[C@H](CC(=O)Nc1ccc(-n2cccn2)nc1)c1ccncc1 ZINC000159423899 542718076 /nfs/dbraw/zinc/71/80/76/542718076.db2.gz RIBPQGIDVQBMRH-CYBMUJFWSA-N 0 0 307.357 2.795 20 70 DFIDRN Cc1nccc(NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1Cl ZINC000159645280 542718482 /nfs/dbraw/zinc/71/84/82/542718482.db2.gz OZUNIHKLFPPTMT-JTQLQIEISA-N 0 0 324.812 2.564 20 70 DFIDRN CCc1nnsc1C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159639772 542718559 /nfs/dbraw/zinc/71/85/59/542718559.db2.gz KUBXFWZJFVROIL-UHFFFAOYSA-N 0 0 300.387 2.554 20 70 DFIDRN CO[C@H](CNC(=O)c1ncccc1O)c1ccccc1Cl ZINC000160547310 542723506 /nfs/dbraw/zinc/72/35/06/542723506.db2.gz HFJLXXKWSIPXHD-CYBMUJFWSA-N 0 0 306.749 2.558 20 70 DFIDRN CCO[C@@H]1C[C@H](NC(=O)N(C)CC2CCOCC2)C12CCCC2 ZINC000159583223 542718736 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YFRBGIWWMHZWGL-VXGBXAGGSA-N 0 0 302.422 2.822 20 70 DFIDRN Cn1c(=O)cccc1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000161445416 426023948 /nfs/dbraw/zinc/02/39/48/426023948.db2.gz UFGRFLSICRBWOE-INIZCTEOSA-N 0 0 308.381 2.677 20 70 DFIDRN COc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)CC(C)C ZINC000161453923 426024288 /nfs/dbraw/zinc/02/42/88/426024288.db2.gz RSAPRWFIRNKSAI-GFCCVEGCSA-N 0 0 321.421 2.953 20 70 DFIDRN CN(C)c1cc(C(F)(F)F)nc(N[C@H](CO)CC(C)(C)C)n1 ZINC000161432027 426024385 /nfs/dbraw/zinc/02/43/85/426024385.db2.gz SQUNOZORYFQYBT-VIFPVBQESA-N 0 0 320.359 2.770 20 70 DFIDRN CN(C)c1cc(C(F)(F)F)nc(N[C@@H](CO)CC(C)(C)C)n1 ZINC000161432172 426024416 /nfs/dbraw/zinc/02/44/16/426024416.db2.gz SQUNOZORYFQYBT-SECBINFHSA-N 0 0 320.359 2.770 20 70 DFIDRN CCOc1cc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)ccc1C ZINC000161430968 426024511 /nfs/dbraw/zinc/02/45/11/426024511.db2.gz BOLDWCDUWIVWTL-LBPRGKRZSA-N 0 0 301.390 2.786 20 70 DFIDRN O=[N+]([O-])c1ccccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000161437361 426024605 /nfs/dbraw/zinc/02/46/05/426024605.db2.gz ZVMIUOQYWUIXAH-CYBMUJFWSA-N 0 0 305.359 2.625 20 70 DFIDRN CNC(=O)CCCN(C)C(=O)Nc1cccc(COC(C)C)c1 ZINC000161445481 426024773 /nfs/dbraw/zinc/02/47/73/426024773.db2.gz PNHXKMHESGCGAZ-UHFFFAOYSA-N 0 0 321.421 2.602 20 70 DFIDRN CCC[C@H](NC(=O)CCc1c(C)noc1C)C(=O)OC(C)(C)C ZINC000161480975 426025158 /nfs/dbraw/zinc/02/51/58/426025158.db2.gz PQBAAQYBKRATAI-AWEZNQCLSA-N 0 0 324.421 2.851 20 70 DFIDRN COc1ccc(C(=O)NCCSCCCO)c2ccccc12 ZINC000161460764 426025246 /nfs/dbraw/zinc/02/52/46/426025246.db2.gz QUSLADPBZIUGGT-UHFFFAOYSA-N 0 0 319.426 2.694 20 70 DFIDRN CC(C)(C)SCCCC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000161480060 426025272 /nfs/dbraw/zinc/02/52/72/426025272.db2.gz MIIGIGRGSWVFCZ-UHFFFAOYSA-N 0 0 324.494 2.829 20 70 DFIDRN C[C@@H](NC(=O)C(C)(C)C1CCCC1)C(=O)NCc1ccco1 ZINC000161467238 426025378 /nfs/dbraw/zinc/02/53/78/426025378.db2.gz SEYUVKGUNYJHCC-GFCCVEGCSA-N 0 0 306.406 2.617 20 70 DFIDRN CCC[C@@H](NC(=O)Cc1ccccc1OC)C(=O)OC(C)(C)C ZINC000161463715 426025635 /nfs/dbraw/zinc/02/56/35/426025635.db2.gz KRBRZRPXVHSDOC-CQSZACIVSA-N 0 0 321.417 2.864 20 70 DFIDRN COc1c(F)cc(NC(=O)N(C)[C@@H]2CCSC2)cc1F ZINC000161464915 426025811 /nfs/dbraw/zinc/02/58/11/426025811.db2.gz GNKIGHVCHUSEAB-SECBINFHSA-N 0 0 302.346 2.943 20 70 DFIDRN O=C(c1cccc2cc[nH]c21)N1CC[C@H](Oc2cccnc2)C1 ZINC000161500227 426026369 /nfs/dbraw/zinc/02/63/69/426026369.db2.gz IPTSNNKHOCFGAZ-HNNXBMFYSA-N 0 0 307.353 2.856 20 70 DFIDRN COc1ncccc1N(C)C(=O)Cc1cc(F)c(F)cc1F ZINC000161490409 426026617 /nfs/dbraw/zinc/02/66/17/426026617.db2.gz BITDWAFJKUUACT-UHFFFAOYSA-N 0 0 310.275 2.713 20 70 DFIDRN O=C(Nc1cnn(CC(F)F)c1)N1CCc2cccc(F)c2C1 ZINC000161491782 426027054 /nfs/dbraw/zinc/02/70/54/426027054.db2.gz RHBSWGFHCIHVQV-UHFFFAOYSA-N 0 0 324.306 2.878 20 70 DFIDRN CC(=O)N[C@H](C(=O)N1CCc2c1cccc2Cl)C1CCCC1 ZINC000161508480 426027279 /nfs/dbraw/zinc/02/72/79/426027279.db2.gz APIJMTFFZXKDHI-INIZCTEOSA-N 0 0 320.820 2.924 20 70 DFIDRN CCN(Cc1ccccn1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000161053891 426006331 /nfs/dbraw/zinc/00/63/31/426006331.db2.gz JDWWWQGZDIXCMV-HNNXBMFYSA-N 0 0 303.450 2.989 20 70 DFIDRN Cc1ccc(C)c([C@H]2CN(C(=O)C[C@H](O)C(C)C)[C@@H](C)CO2)c1 ZINC000161049535 426006787 /nfs/dbraw/zinc/00/67/87/426006787.db2.gz FDXVOXSVEJJFBT-RYQLBKOJSA-N 0 0 319.445 2.999 20 70 DFIDRN COc1ccccc1N1CC[C@@H](NC(=O)CCCCSC)C1 ZINC000161038764 426006844 /nfs/dbraw/zinc/00/68/44/426006844.db2.gz GLOZFUYLYGRIOI-CQSZACIVSA-N 0 0 322.474 2.923 20 70 DFIDRN CCN(Cc1ccccn1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000161078466 426007409 /nfs/dbraw/zinc/00/74/09/426007409.db2.gz GCDAFSULJAWIRM-INIZCTEOSA-N 0 0 311.429 2.951 20 70 DFIDRN Cc1noc([C@@H]2COCCN2Cc2csc(C(C)(C)C)n2)n1 ZINC000161088206 426007950 /nfs/dbraw/zinc/00/79/50/426007950.db2.gz FBGJOWFXPWFYMZ-LBPRGKRZSA-N 0 0 322.434 2.706 20 70 DFIDRN CCCOc1cccc(CC(=O)N[C@H](CC(C)C)C(=O)OC)c1 ZINC000161086642 426008336 /nfs/dbraw/zinc/00/83/36/426008336.db2.gz AIPZOFDMJYDZMA-MRXNPFEDSA-N 0 0 321.417 2.722 20 70 DFIDRN CCS(=O)(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000161073761 426008351 /nfs/dbraw/zinc/00/83/51/426008351.db2.gz YBVGWIDIJSEMQG-NSHDSACASA-N 0 0 303.811 2.533 20 70 DFIDRN CCc1noc(C)c1C[S@@](=O)CCOc1ccc(OC)cc1 ZINC000161074073 426008382 /nfs/dbraw/zinc/00/83/82/426008382.db2.gz KOBJCMRFVDSNQP-JOCHJYFZSA-N 0 0 323.414 2.882 20 70 DFIDRN COC[C@H](O)CCNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000161117645 426008488 /nfs/dbraw/zinc/00/84/88/426008488.db2.gz BCZQEMINGYPIIU-OAHLLOKOSA-N 0 0 315.369 2.606 20 70 DFIDRN CCCC[C@@H](NC(=O)[C@H]1CCCS1)C(=O)OC(C)(C)C ZINC000161105992 426008721 /nfs/dbraw/zinc/00/87/21/426008721.db2.gz KWSZGHJYFDIMIE-VXGBXAGGSA-N 0 0 301.452 2.899 20 70 DFIDRN COCCC1(CNC(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000161096436 426008943 /nfs/dbraw/zinc/00/89/43/426008943.db2.gz RVAODHWTRPYKDB-XJKSGUPXSA-N 0 0 312.454 2.648 20 70 DFIDRN CCN(Cc1ccccn1)[C@H](C)C(=O)NCc1cccs1 ZINC000161097264 426009137 /nfs/dbraw/zinc/00/91/37/426009137.db2.gz FJSJFYRWVWKCJG-CYBMUJFWSA-N 0 0 303.431 2.670 20 70 DFIDRN CC(C)c1ccccc1NC(=O)C(=O)N[C@@H](C)C1CCOCC1 ZINC000161097679 426009173 /nfs/dbraw/zinc/00/91/73/426009173.db2.gz SJBUHETVRFWNKK-ZDUSSCGKSA-N 0 0 318.417 2.680 20 70 DFIDRN Cc1cc(NC(=O)C[S@@](=O)[C@@H]2CCCc3ccccc32)no1 ZINC000161133658 426009860 /nfs/dbraw/zinc/00/98/60/426009860.db2.gz KBHRWYDPPYAMAC-PEBXRYMYSA-N 0 0 318.398 2.748 20 70 DFIDRN COCCCOc1cccc(CNC(=O)N2CCC[C@@H]2C)c1 ZINC000161141457 426009921 /nfs/dbraw/zinc/00/99/21/426009921.db2.gz UBCUKLYUBHMNMI-AWEZNQCLSA-N 0 0 306.406 2.796 20 70 DFIDRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000161127288 426010018 /nfs/dbraw/zinc/01/00/18/426010018.db2.gz GHWAOPXRPPLHNC-ZOBUZTSGSA-N 0 0 302.418 2.519 20 70 DFIDRN CC(C)C[C@H](CO)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000161124799 426010031 /nfs/dbraw/zinc/01/00/31/426010031.db2.gz HSTLRZISILYKNH-MRXNPFEDSA-N 0 0 318.417 2.631 20 70 DFIDRN CC(C)c1ccc(N(C)C(=O)CNC(=O)c2cccnc2)cc1 ZINC000161148723 426010124 /nfs/dbraw/zinc/01/01/24/426010124.db2.gz ABCGQYNDSWFOQS-UHFFFAOYSA-N 0 0 311.385 2.598 20 70 DFIDRN CCOc1cccc(CCNC(=O)Nc2cnc(CC)nc2)c1 ZINC000161131962 426010447 /nfs/dbraw/zinc/01/04/47/426010447.db2.gz QBRSYLGVEMOTBR-UHFFFAOYSA-N 0 0 314.389 2.802 20 70 DFIDRN C[C@@H]1CN(C(=O)Cc2cccc(OC(F)(F)F)c2)[C@H](C)CO1 ZINC000161131239 426010499 /nfs/dbraw/zinc/01/04/99/426010499.db2.gz QOOQCOLNVQKLSL-GHMZBOCLSA-N 0 0 317.307 2.764 20 70 DFIDRN Cc1ccccc1[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])C(C)C ZINC000161168433 426010713 /nfs/dbraw/zinc/01/07/13/426010713.db2.gz JSJPEWNMOICASY-ZDUSSCGKSA-N 0 0 302.334 2.753 20 70 DFIDRN O=C(C[C@H]1CSCCS1)Nc1nnc(C(F)F)s1 ZINC000161161371 426010963 /nfs/dbraw/zinc/01/09/63/426010963.db2.gz QOCLYGGOURQUGE-YFKPBYRVSA-N 0 0 311.404 2.653 20 70 DFIDRN O[C@@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1c(F)cccc1F ZINC000161157368 426011189 /nfs/dbraw/zinc/01/11/89/426011189.db2.gz BESYKHJGEZRRTG-ISTRZQFTSA-N 0 0 311.372 2.625 20 70 DFIDRN C[N@H+](CCOc1ccc(Cl)cc1)Cc1cnc2cnccn12 ZINC000161155229 426011297 /nfs/dbraw/zinc/01/12/97/426011297.db2.gz ZNFRPWPCUUZCQX-UHFFFAOYSA-N 0 0 316.792 2.894 20 70 DFIDRN CN(C)c1ncc(C[N@H+](C)CCOc2ccc(Cl)cc2)cn1 ZINC000161161325 426011610 /nfs/dbraw/zinc/01/16/10/426011610.db2.gz CKDQWXJOCQFLEO-UHFFFAOYSA-N 0 0 320.824 2.707 20 70 DFIDRN CC(C)CCn1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)n1 ZINC000161182616 426012503 /nfs/dbraw/zinc/01/25/03/426012503.db2.gz BIVIOWHENHOIKX-ZIAGYGMSSA-N 0 0 308.426 2.602 20 70 DFIDRN O=C(CCOc1cccc(Cl)c1Cl)N[C@H]1CCC[C@@H]1O ZINC000161206663 426012590 /nfs/dbraw/zinc/01/25/90/426012590.db2.gz JPCJSDQDMDVFGC-QWRGUYRKSA-N 0 0 318.200 2.792 20 70 DFIDRN CC(C)n1cc(C#N)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)n1 ZINC000161188845 426012671 /nfs/dbraw/zinc/01/26/71/426012671.db2.gz QOVGHAMQDAFCPP-NHYWBVRUSA-N 0 0 310.357 2.839 20 70 DFIDRN CCN(Cc1ccccn1)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000161179760 426012722 /nfs/dbraw/zinc/01/27/22/426012722.db2.gz RVZHGPLCRZTMME-CQSZACIVSA-N 0 0 315.392 2.748 20 70 DFIDRN CCN(Cc1ccccn1)[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000161194307 426012985 /nfs/dbraw/zinc/01/29/85/426012985.db2.gz UERHOYCPAMSOGT-YQQAZPJKSA-N 0 0 303.450 2.987 20 70 DFIDRN CC1(O)CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000161229860 426013295 /nfs/dbraw/zinc/01/32/95/426013295.db2.gz NZZBZAJSFPIJLP-UHFFFAOYSA-N 0 0 311.809 2.848 20 70 DFIDRN CC[C@@H](C)[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(N)=O ZINC000161234185 426013303 /nfs/dbraw/zinc/01/33/03/426013303.db2.gz MTRUGBKCINCOCQ-HQJQHLMTSA-N 0 0 319.283 2.926 20 70 DFIDRN CCCn1nc(C)c(C(=O)NCc2ccc(OC)cc2)c1C ZINC000161226359 426013485 /nfs/dbraw/zinc/01/34/85/426013485.db2.gz WJUKSZJMYCZAAS-UHFFFAOYSA-N 0 0 301.390 2.849 20 70 DFIDRN CC(C)N(C)c1ccc(NC(=O)N[C@]2(C)CCOC2)cc1F ZINC000161207340 426013537 /nfs/dbraw/zinc/01/35/37/426013537.db2.gz MCLDHFYBNNQEIW-MRXNPFEDSA-N 0 0 309.385 2.971 20 70 DFIDRN CCc1cc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)[nH]n1 ZINC000161228039 426013814 /nfs/dbraw/zinc/01/38/14/426013814.db2.gz PZMPOJGNZZWYAK-GFCCVEGCSA-N 0 0 319.792 2.919 20 70 DFIDRN C=C(C)CNC(=O)CSc1nncn1-c1ccc(C)c(C)c1 ZINC000161237944 426014755 /nfs/dbraw/zinc/01/47/55/426014755.db2.gz XODZVBCUAYAJJH-UHFFFAOYSA-N 0 0 316.430 2.669 20 70 DFIDRN CN(C)c1cc(C(F)(F)F)nc(Oc2ccc(F)nc2)n1 ZINC000161244003 426015285 /nfs/dbraw/zinc/01/52/85/426015285.db2.gz RGYACYAJKQLVES-UHFFFAOYSA-N 0 0 302.231 2.888 20 70 DFIDRN CCOCCC1(CNC(=O)c2cccc3c2OCO3)CCC1 ZINC000161242414 426015489 /nfs/dbraw/zinc/01/54/89/426015489.db2.gz MTAVUCVSOUHFIV-UHFFFAOYSA-N 0 0 305.374 2.742 20 70 DFIDRN Cc1cc(C[C@H](C)NC(=O)c2cnc(-c3ccccc3)nc2)[nH]n1 ZINC000161270112 426015851 /nfs/dbraw/zinc/01/58/51/426015851.db2.gz OSJCQFKAUUCMOK-LBPRGKRZSA-N 0 0 321.384 2.536 20 70 DFIDRN O=C(Nc1ccc(Cl)nc1)N[C@H]1CCN(c2ccccn2)C1 ZINC000161275183 426016201 /nfs/dbraw/zinc/01/62/01/426016201.db2.gz BZXQJHZUJJTVFX-LBPRGKRZSA-N 0 0 317.780 2.530 20 70 DFIDRN Cc1cc(C[C@H](C)NC(=O)CCc2cc(F)ccc2F)[nH]n1 ZINC000161267026 426016207 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321.331 2.500 20 70 DFIDRN CN(c1cccnn1)C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000159892951 197372176 /nfs/dbraw/zinc/37/21/76/197372176.db2.gz XQLURZSANBYTOS-UHFFFAOYSA-N 0 0 324.403 2.568 20 70 DFIDRN N#Cc1ccc(F)cc1CN1CCC(Nc2cccnn2)CC1 ZINC000159894552 197371582 /nfs/dbraw/zinc/37/15/82/197371582.db2.gz LPELAVLEFFIWAV-UHFFFAOYSA-N 0 0 311.364 2.564 20 70 DFIDRN O=C(c1cc(Cc2ccccc2)ccc1O)N1CCC(O)CC1 ZINC000159871547 197369783 /nfs/dbraw/zinc/36/97/83/197369783.db2.gz YUZPRLCOLFFDSR-UHFFFAOYSA-N 0 0 311.381 2.580 20 70 DFIDRN Cc1c(C(=O)N(C)[C@@H](C)c2ccco2)cnn1C1CCOCC1 ZINC000159869263 197369826 /nfs/dbraw/zinc/36/98/26/197369826.db2.gz REBFMRLVFCACFH-ZDUSSCGKSA-N 0 0 317.389 2.969 20 70 DFIDRN CC(C)Oc1ccccc1CNC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000159837783 197368013 /nfs/dbraw/zinc/36/80/13/197368013.db2.gz DBZLMOXVEMKAPZ-HZPDHXFCSA-N 0 0 320.433 2.776 20 70 DFIDRN COC(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)s1 ZINC000159826578 197367448 /nfs/dbraw/zinc/36/74/48/197367448.db2.gz 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/nfs/dbraw/zinc/36/37/30/197363730.db2.gz IKXRIJUNEAABOO-KBPBESRZSA-N 0 0 321.417 2.950 20 70 DFIDRN CC(C)c1ncc(C(=O)Nc2nc3c(s2)CN(C)CC3)s1 ZINC000159494731 197357732 /nfs/dbraw/zinc/35/77/32/197357732.db2.gz DWJOUNISPYPLTO-UHFFFAOYSA-N 0 0 322.459 2.963 20 70 DFIDRN C[C@@H](C(=O)NCC[S@@](=O)Cc1ccccc1)c1cccs1 ZINC000159562466 197361275 /nfs/dbraw/zinc/36/12/75/197361275.db2.gz AXASILFEMNFTJP-ASSNKEHSSA-N 0 0 321.467 2.917 20 70 DFIDRN O=C(c1csc([C@H]2CCCO2)n1)N1CCOC2(CCCC2)C1 ZINC000159709964 197361279 /nfs/dbraw/zinc/36/12/79/197361279.db2.gz AZASOHBXLYXTKO-CYBMUJFWSA-N 0 0 322.430 2.780 20 70 DFIDRN O=C(CCn1cccn1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159512570 197360234 /nfs/dbraw/zinc/36/02/34/197360234.db2.gz VZLVWDKTHSEFOJ-WBVHZDCISA-N 0 0 313.401 2.557 20 70 DFIDRN Cc1cc(CSc2nnc(COc3ccccc3)n2C)no1 ZINC000159434433 197353272 /nfs/dbraw/zinc/35/32/72/197353272.db2.gz ZUAXALOPJRYNHD-UHFFFAOYSA-N 0 0 316.386 2.983 20 70 DFIDRN CCc1nnc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 ZINC000159417774 197352423 /nfs/dbraw/zinc/35/24/23/197352423.db2.gz OGPQSRGTTSJSRY-GJZGRUSLSA-N 0 0 318.396 2.594 20 70 DFIDRN CCOCCO[C@@H](C)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000159425452 197352062 /nfs/dbraw/zinc/35/20/62/197352062.db2.gz FQEJFPOZCUXIRA-VIFPVBQESA-N 0 0 321.295 2.807 20 70 DFIDRN CCOCCC1(CNC(=O)c2cc(OC)c(C)c(OC)c2)CC1 ZINC000159379794 197349516 /nfs/dbraw/zinc/34/95/16/197349516.db2.gz JNSPLLTXSXXLOX-UHFFFAOYSA-N 0 0 321.417 2.949 20 70 DFIDRN CCC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2C)C1 ZINC000159371468 197348725 /nfs/dbraw/zinc/34/87/25/197348725.db2.gz ZBGPAALBNRYGIP-NVXWUHKLSA-N 0 0 314.429 2.917 20 70 DFIDRN c1ccc(-c2nnc(N[C@H]3CCO[C@H](C4CC4)C3)s2)nc1 ZINC000160274446 285470334 /nfs/dbraw/zinc/47/03/34/285470334.db2.gz UXQWXBWBKSNADC-AAEUAGOBSA-N 0 0 302.403 2.970 20 70 DFIDRN CCO[C@@H](CCNC(=O)NCC(C)(C)[C@@H](O)C(C)C)C(C)C ZINC000159381295 542717293 /nfs/dbraw/zinc/71/72/93/542717293.db2.gz ZYHAUFJPHQAFTK-GJZGRUSLSA-N 0 0 316.486 2.780 20 70 DFIDRN Cc1nccn1CCCN(C)C(=O)Nc1cnn(C(C)C)c1 ZINC000159484081 542717581 /nfs/dbraw/zinc/71/75/81/542717581.db2.gz SDXGGYDELJQRNZ-UHFFFAOYSA-N 0 0 304.398 2.523 20 70 DFIDRN COc1ccc(NNC(=O)C=Cc2cc(C)ccc2OC)nc1 ZINC000159528934 542717698 /nfs/dbraw/zinc/71/76/98/542717698.db2.gz RYWOBPIAHCUPNV-WEVVVXLNSA-N 0 0 313.357 2.564 20 70 DFIDRN CC(C)OC1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000159399844 542718041 /nfs/dbraw/zinc/71/80/41/542718041.db2.gz BCUGUBATYTVQNZ-UHFFFAOYSA-N 0 0 303.449 2.763 20 70 DFIDRN CCO[C@H]1C[C@H](NC(=O)N(C)CC2CCOCC2)C12CCCC2 ZINC000159583366 542718582 /nfs/dbraw/zinc/71/85/82/542718582.db2.gz OQOAELNAWNLBDC-HOTGVXAUSA-N 0 0 324.465 2.792 20 70 DFIDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc(F)cc2[nH]cnc21 ZINC000159678870 542718789 /nfs/dbraw/zinc/71/87/89/542718789.db2.gz CYOUXEMWOOWDPR-GFCCVEGCSA-N 0 0 317.364 2.924 20 70 DFIDRN Cc1nc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)cs1 ZINC000159579140 542719020 /nfs/dbraw/zinc/71/90/20/542719020.db2.gz LJDQEGUEJUTYAW-ZDUSSCGKSA-N 0 0 323.443 2.796 20 70 DFIDRN CC(C)OC1CCC(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000159879159 542720071 /nfs/dbraw/zinc/72/00/71/542720071.db2.gz KOTQQXGHDHMLAL-MNAZLIDISA-N 0 0 324.465 2.979 20 70 DFIDRN COc1cccc(COCCNC(=O)N2CCC(C)CC2)c1 ZINC000160597286 542723571 /nfs/dbraw/zinc/72/35/71/542723571.db2.gz RPTNXENBQIYUPJ-UHFFFAOYSA-N 0 0 306.406 2.653 20 70 DFIDRN CC(=O)N(C)C1CCN(C(=O)Nc2ccnc(C)c2Cl)CC1 ZINC000159979876 542720182 /nfs/dbraw/zinc/72/01/82/542720182.db2.gz NCYNESVNXKBGGR-UHFFFAOYSA-N 0 0 324.812 2.518 20 70 DFIDRN CC(C)CC1(C(=O)N2CCC(OCCCO)CC2)CCCC1 ZINC000160322634 542722082 /nfs/dbraw/zinc/72/20/82/542722082.db2.gz PHVVYMKCOAMTQO-UHFFFAOYSA-N 0 0 311.466 2.983 20 70 DFIDRN CCCCOCCCNc1ccccc1S(=O)(=O)N(C)C ZINC000160366906 542722801 /nfs/dbraw/zinc/72/28/01/542722801.db2.gz QENMXIVPDNCORV-UHFFFAOYSA-N 0 0 314.451 2.556 20 70 DFIDRN C[C@@H](CC(=O)N1CCC(c2cnn(C)c2)CC1)c1ccncc1 ZINC000160574392 542723659 /nfs/dbraw/zinc/72/36/59/542723659.db2.gz BPTCLMDWYYFULJ-AWEZNQCLSA-N 0 0 312.417 2.715 20 70 DFIDRN C[C@@H](CC(=O)N1CC(=O)N(C)c2ccccc21)c1ccncc1 ZINC000161247217 542727726 /nfs/dbraw/zinc/72/77/26/542727726.db2.gz BVJTWWLXWOMJBW-ZDUSSCGKSA-N 0 0 309.369 2.585 20 70 DFIDRN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)o1 ZINC000161225191 542727918 /nfs/dbraw/zinc/72/79/18/542727918.db2.gz FGOZEWLBZMXSMJ-DOMZBBRYSA-N 0 0 307.390 2.905 20 70 DFIDRN Cc1ccc(NC(=O)NCCc2cnn(-c3ccccc3)c2)cn1 ZINC000161400178 542729810 /nfs/dbraw/zinc/72/98/10/542729810.db2.gz RMOZMEHXIBHCOP-UHFFFAOYSA-N 0 0 321.384 2.940 20 70 DFIDRN Cc1cc(C[C@@H](C)NC(=O)CCCOc2ccc(C)cc2)[nH]n1 ZINC000161466124 542729818 /nfs/dbraw/zinc/72/98/18/542729818.db2.gz KMIIBAQDVJTDFQ-CQSZACIVSA-N 0 0 315.417 2.933 20 70 DFIDRN C[C@H](NC(=O)Nc1ccccc1SCC(N)=O)C1CCC1 ZINC000160780278 542724589 /nfs/dbraw/zinc/72/45/89/542724589.db2.gz ZHBHTPRFQBEOTK-JTQLQIEISA-N 0 0 307.419 2.574 20 70 DFIDRN COC[C@H]1CCCN1C(=O)NCC1(Cc2ccccc2)CC1 ZINC000160723757 542724693 /nfs/dbraw/zinc/72/46/93/542724693.db2.gz UHTRRSQUAJVAAB-MRXNPFEDSA-N 0 0 302.418 2.830 20 70 DFIDRN CC(C)S(=O)(=O)Cc1cccc(NC(=O)NC2CC=CC2)c1 ZINC000160659303 542724802 /nfs/dbraw/zinc/72/48/02/542724802.db2.gz UICPUQFWLDWECJ-UHFFFAOYSA-N 0 0 322.430 2.850 20 70 DFIDRN CC[C@H](NC(=O)Nc1ccccc1-n1cccn1)[C@@H]1CCCO1 ZINC000160950164 542725841 /nfs/dbraw/zinc/72/58/41/542725841.db2.gz DPORWZWAJBHPIO-BBRMVZONSA-N 0 0 314.389 2.951 20 70 DFIDRN O=C(NC1CC=CC1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000160989362 542726059 /nfs/dbraw/zinc/72/60/59/542726059.db2.gz NINJZOKMSJEAFA-ZDUSSCGKSA-N 0 0 304.415 2.578 20 70 DFIDRN CCc1nc(-c2ccccc2NC(=O)c2cc(OC)ccn2)n[nH]1 ZINC000161021669 542726133 /nfs/dbraw/zinc/72/61/33/542726133.db2.gz RXFLYRHFZOPGPG-UHFFFAOYSA-N 0 0 323.356 2.690 20 70 DFIDRN Cc1cccc(NC(=O)NCC(=O)NCCC2=CCCC2)c1 ZINC000161154839 542726694 /nfs/dbraw/zinc/72/66/94/542726694.db2.gz IVIDHZNOYHFWCK-UHFFFAOYSA-N 0 0 301.390 2.733 20 70 DFIDRN CSC[C@](C)(O)CNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000217637745 542877402 /nfs/dbraw/zinc/87/74/02/542877402.db2.gz 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/nfs/dbraw/zinc/22/10/82/145221082.db2.gz NHHSOONINWVAEB-VHSXEESVSA-N 0 0 320.216 2.895 20 70 DFIDRN O=C(NCCc1ccncc1)c1ccc(F)c(Br)c1 ZINC000218077013 146000237 /nfs/dbraw/zinc/00/02/37/146000237.db2.gz YVSNZAUQMUUSKP-UHFFFAOYSA-N 0 0 323.165 2.956 20 70 DFIDRN O=C(c1ccc(F)c(Br)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000217717865 146000612 /nfs/dbraw/zinc/00/06/12/146000612.db2.gz OLBVPFQKWKQHHH-AOOOYVTPSA-N 0 0 314.154 2.592 20 70 DFIDRN COc1c(C(=O)N[C@@H]2CCCc3sccc32)c(C)nn1C ZINC000160059798 286177601 /nfs/dbraw/zinc/17/76/01/286177601.db2.gz URZCCQMUPWYIRI-LLVKDONJSA-N 0 0 305.403 2.606 20 70 DFIDRN CC[C@@H](C)NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000160462312 286785109 /nfs/dbraw/zinc/78/51/09/286785109.db2.gz BWVPEUYTPUEPEP-CHWSQXEVSA-N 0 0 310.438 2.938 20 70 DFIDRN CCCn1nc(C)c(/C=C(/C#N)C(=O)NC2CCCC2)c1C ZINC000160709528 269997774 /nfs/dbraw/zinc/99/77/74/269997774.db2.gz VFKCNZMWBPVATH-UVTDQMKNSA-N 0 0 300.406 2.876 20 70 DFIDRN CCc1cnc(NC(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)s1 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