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CN(C)CCCS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001598223034 990898658 /nfs/dbraw/zinc/89/86/58/990898658.db2.gz ACSHUZJXYJACPB-RKDXNWHRSA-N -1 3 280.346 -1.212 20 0 CAADHM CN(C)CCCS(=O)(=O)N1CCN(CC(=O)[O-])CC1 ZINC001598223412 990900930 /nfs/dbraw/zinc/90/09/30/990900930.db2.gz IQSPUTRUELGXPG-UHFFFAOYSA-N -1 3 293.389 -1.030 20 0 CAADHM CN(C)CCN1C[C@H](C(=O)N[C@@H](CF)C(=O)[O-])CC1=O ZINC001598231680 990940729 /nfs/dbraw/zinc/94/07/29/990940729.db2.gz WLQVUFRCXABLTE-BDAKNGLRSA-N -1 3 289.307 -1.065 20 0 CAADHM CN(C)C[C@H](N)C(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-] ZINC001598246599 991006264 /nfs/dbraw/zinc/00/62/64/991006264.db2.gz QTWGARXRSWAQBA-CIUDSAMLSA-N -1 3 259.306 -1.688 20 0 CAADHM CC(C)[C@@H](C(=O)NCC(=O)NCC(=O)[O-])N(C)C ZINC001590956790 991030724 /nfs/dbraw/zinc/03/07/24/991030724.db2.gz BVRCQPYVYYAARS-JTQLQIEISA-N -1 3 259.306 -1.110 20 0 CAADHM CC(C)[C@H](C(=O)NCC(=O)NCC(=O)[O-])N(C)C ZINC001590956791 991031267 /nfs/dbraw/zinc/03/12/67/991031267.db2.gz 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Cn1cnn(CC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1=O ZINC001598607141 993683466 /nfs/dbraw/zinc/68/34/66/993683466.db2.gz HYVZDBVQIAEZQB-SECBINFHSA-N -1 3 297.315 -1.943 20 0 CAADHM Cn1cnn(CC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1=O ZINC001598607142 993683601 /nfs/dbraw/zinc/68/36/01/993683601.db2.gz HYVZDBVQIAEZQB-VIFPVBQESA-N -1 3 297.315 -1.943 20 0 CAADHM CN1CCN(C(=O)Cn2nccc2N)C[C@H](C(=O)[O-])C1 ZINC001598607214 993685287 /nfs/dbraw/zinc/68/52/87/993685287.db2.gz LMLHSPWCWHSHQA-SECBINFHSA-N -1 3 281.316 -1.060 20 0 CAADHM CN1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)C[C@@H](C(=O)[O-])C1 ZINC001598610456 993759259 /nfs/dbraw/zinc/75/92/59/993759259.db2.gz FKOAPKGRLKKCIB-XHNCKOQMSA-N -1 3 269.301 -1.417 20 0 CAADHM Cn1nnc(NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)n1 ZINC001598611556 993783806 /nfs/dbraw/zinc/78/38/06/993783806.db2.gz KQSFYHARSVHDNN-ZETCQYMHSA-N -1 3 283.292 -1.310 20 0 CAADHM Cn1nnc(CN2CCN(C)C[C@@H](C(=O)[O-])C2)n1 ZINC001598620608 993999316 /nfs/dbraw/zinc/99/93/16/993999316.db2.gz 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ZINC001157855383 779915391 /nfs/dbraw/zinc/91/53/91/779915391.db2.gz NFNDZQJOEAWPLL-HLTSFMKQSA-N -1 3 268.321 -1.311 20 0 CAADHM C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001157855383 779915393 /nfs/dbraw/zinc/91/53/93/779915393.db2.gz NFNDZQJOEAWPLL-HLTSFMKQSA-N -1 3 268.321 -1.311 20 0 CAADHM C[C@@]1(O)CCN(C(=O)[C@@H](N)Cc2nnn[n-]2)C[C@@H]1F ZINC001157891224 779916633 /nfs/dbraw/zinc/91/66/33/779916633.db2.gz VXLLETHVWQBQFC-MHYGZLNHSA-N -1 3 272.284 -1.609 20 0 CAADHM C[C@@]1(O)CCN(C(=O)[C@@H](N)Cc2nn[n-]n2)C[C@@H]1F ZINC001157891224 779916637 /nfs/dbraw/zinc/91/66/37/779916637.db2.gz VXLLETHVWQBQFC-MHYGZLNHSA-N -1 3 272.284 -1.609 20 0 CAADHM NCc1nc(=O)[n-]n1-c1nc(Cl)cnc1C(N)=O ZINC001157933202 779917223 /nfs/dbraw/zinc/91/72/23/779917223.db2.gz NUXCLBAVEJKSNE-UHFFFAOYSA-N -1 3 269.652 -1.026 20 0 CAADHM C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001157913790 779917655 /nfs/dbraw/zinc/91/76/55/779917655.db2.gz APQRODQCMVFLNN-FXQIFTODSA-N -1 3 254.294 -1.559 20 0 CAADHM C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001157913790 779917659 /nfs/dbraw/zinc/91/76/59/779917659.db2.gz APQRODQCMVFLNN-FXQIFTODSA-N -1 3 254.294 -1.559 20 0 CAADHM C[C@H]1C(=O)Nc2cnc(-n3[n-]c(=O)nc3CN)nc2N1C ZINC001157933551 779919010 /nfs/dbraw/zinc/91/90/10/779919010.db2.gz FDIPCIIDUNSSEC-YFKPBYRVSA-N -1 3 290.287 -1.002 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935317 779919023 /nfs/dbraw/zinc/91/90/23/779919023.db2.gz UAPYLLRGUSCGOZ-GZMMTYOYSA-N -1 3 286.311 -1.217 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935317 779919027 /nfs/dbraw/zinc/91/90/27/779919027.db2.gz UAPYLLRGUSCGOZ-GZMMTYOYSA-N -1 3 286.311 -1.217 20 0 CAADHM CN(C)C(=O)c1cncc(-n2[n-]c(=O)nc2CN)n1 ZINC001157940833 779920237 /nfs/dbraw/zinc/92/02/37/779920237.db2.gz JCFHJRGQIQTUBB-UHFFFAOYSA-N -1 3 263.261 -1.077 20 0 CAADHM O=C(CO[C@@H]1CCOC1)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001157953614 779921366 /nfs/dbraw/zinc/92/13/66/779921366.db2.gz 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289.290 -1.570 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)NC1(c2cccnn2)CC1 ZINC001220210228 780320062 /nfs/dbraw/zinc/32/00/62/780320062.db2.gz VMQGLHCTJZIZFB-ZETCQYMHSA-N -1 3 274.288 -1.335 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)NC1(c2cccnn2)CC1 ZINC001220210228 780320071 /nfs/dbraw/zinc/32/00/71/780320071.db2.gz VMQGLHCTJZIZFB-ZETCQYMHSA-N -1 3 274.288 -1.335 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202532 780320138 /nfs/dbraw/zinc/32/01/38/780320138.db2.gz FJKDHOKOFPISSC-RITPCOANSA-N -1 3 253.266 -2.678 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202532 780320148 /nfs/dbraw/zinc/32/01/48/780320148.db2.gz FJKDHOKOFPISSC-RITPCOANSA-N -1 3 253.266 -2.678 20 0 CAADHM N[C@@H](CCCC[NH3+])C(=O)NCCOP(=O)([O-])[O-] ZINC001220220885 780321637 /nfs/dbraw/zinc/32/16/37/780321637.db2.gz JKXANLSRVYGKDF-ZETCQYMHSA-N -1 3 269.238 -1.332 20 0 CAADHM CCOC(CCNC(=O)[C@@H](N)Cc1nnn[n-]1)OCC ZINC001220230188 780321831 /nfs/dbraw/zinc/32/18/31/780321831.db2.gz 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/nfs/dbraw/zinc/32/42/37/780324237.db2.gz TVVOAHHXNCVCNC-UWORMDEDSA-N -1 3 258.321 -1.956 20 0 CAADHM N[C@@H](Cc1c[nH]cn1)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001220251879 780326856 /nfs/dbraw/zinc/32/68/56/780326856.db2.gz IRKDINMUHBGFKE-LURJTMIESA-N -1 3 251.250 -1.580 20 0 CAADHM N[C@H]1CCCCN(CC(=O)NCc2n[nH]c(=O)[n-]2)C1=O ZINC001220252019 780326908 /nfs/dbraw/zinc/32/69/08/780326908.db2.gz LTDSAPAUCZQYET-ZETCQYMHSA-N -1 3 282.304 -1.534 20 0 CAADHM C[S@@](=O)CC[C@H](N)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001220251847 780326966 /nfs/dbraw/zinc/32/69/66/780326966.db2.gz HOCWMTWZKUORLE-IEMIWKFJSA-N -1 3 261.307 -1.778 20 0 CAADHM CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220268997 780328241 /nfs/dbraw/zinc/32/82/41/780328241.db2.gz SWOYZOCXVXMKRN-LURJTMIESA-N -1 3 291.337 -2.923 20 0 CAADHM CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220268997 780328243 /nfs/dbraw/zinc/32/82/43/780328243.db2.gz SWOYZOCXVXMKRN-LURJTMIESA-N -1 3 291.337 -2.923 20 0 CAADHM Cn1cc(CCNC(=O)[C@@H](N)Cc2nnn[n-]2)cn1 ZINC001220276785 780329971 /nfs/dbraw/zinc/32/99/71/780329971.db2.gz QMDWTHJMIVOBDG-QMMMGPOBSA-N -1 3 264.293 -1.838 20 0 CAADHM Cn1cc(CCNC(=O)[C@@H](N)Cc2nn[n-]n2)cn1 ZINC001220276785 780329978 /nfs/dbraw/zinc/32/99/78/780329978.db2.gz QMDWTHJMIVOBDG-QMMMGPOBSA-N -1 3 264.293 -1.838 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329267 780337457 /nfs/dbraw/zinc/33/74/57/780337457.db2.gz KLYQSUXBBZLGHS-JGVFFNPUSA-N -1 3 266.305 -1.245 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329267 780337460 /nfs/dbraw/zinc/33/74/60/780337460.db2.gz KLYQSUXBBZLGHS-JGVFFNPUSA-N -1 3 266.305 -1.245 20 0 CAADHM COc1ccc(CNC(=O)[C@@H](N)Cc2nnn[n-]2)nn1 ZINC001220343525 780339200 /nfs/dbraw/zinc/33/92/00/780339200.db2.gz RITIOOASZGXZFT-ZETCQYMHSA-N -1 3 278.276 -1.816 20 0 CAADHM COc1ccc(CNC(=O)[C@@H](N)Cc2nn[n-]n2)nn1 ZINC001220343525 780339207 /nfs/dbraw/zinc/33/92/07/780339207.db2.gz RITIOOASZGXZFT-ZETCQYMHSA-N -1 3 278.276 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CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220660375 780373928 /nfs/dbraw/zinc/37/39/28/780373928.db2.gz FQRHGVPIZNOVIS-VGMNWLOBSA-N -1 3 296.331 -1.083 20 0 CAADHM CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220660375 780373935 /nfs/dbraw/zinc/37/39/35/780373935.db2.gz FQRHGVPIZNOVIS-VGMNWLOBSA-N -1 3 296.331 -1.083 20 0 CAADHM Nc1ncc(CCNC(=O)[C@@H](N)Cc2nnn[n-]2)s1 ZINC001220704029 780374159 /nfs/dbraw/zinc/37/41/59/780374159.db2.gz KLPMZRZPBAKZGY-LURJTMIESA-N -1 3 282.333 -1.533 20 0 CAADHM Nc1ncc(CCNC(=O)[C@@H](N)Cc2nn[n-]n2)s1 ZINC001220704029 780374167 /nfs/dbraw/zinc/37/41/67/780374167.db2.gz KLPMZRZPBAKZGY-LURJTMIESA-N -1 3 282.333 -1.533 20 0 CAADHM COC(CCCNC(=O)[C@@H](N)Cc1nnn[n-]1)OC ZINC001220741070 780378791 /nfs/dbraw/zinc/37/87/91/780378791.db2.gz CYFVIEWGIHVNEZ-ZETCQYMHSA-N -1 3 272.309 -1.415 20 0 CAADHM COC(CCCNC(=O)[C@@H](N)Cc1nn[n-]n1)OC ZINC001220741070 780378799 /nfs/dbraw/zinc/37/87/99/780378799.db2.gz CYFVIEWGIHVNEZ-ZETCQYMHSA-N -1 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/nfs/dbraw/zinc/97/73/43/779977343.db2.gz DFXGQGGGWDXPFS-NTSWFWBYSA-N -1 3 269.265 -3.218 20 0 CAADHM CN(CCC1OCCO1)C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001160683923 779977387 /nfs/dbraw/zinc/97/73/87/779977387.db2.gz OPLRSAWUFLGHAU-ZETCQYMHSA-N -1 3 270.293 -1.709 20 0 CAADHM CN(CCC1OCCO1)C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160683923 779977392 /nfs/dbraw/zinc/97/73/92/779977392.db2.gz OPLRSAWUFLGHAU-ZETCQYMHSA-N -1 3 270.293 -1.709 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705701 779978856 /nfs/dbraw/zinc/97/88/56/779978856.db2.gz QKMFJRMWROKGRD-NTSWFWBYSA-N -1 3 294.237 -1.141 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705701 779978860 /nfs/dbraw/zinc/97/88/60/779978860.db2.gz QKMFJRMWROKGRD-NTSWFWBYSA-N -1 3 294.237 -1.141 20 0 CAADHM C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H](N)Cc3nnn[n-]3)C[C@H]12 ZINC001160756529 779979854 /nfs/dbraw/zinc/97/98/54/779979854.db2.gz OHZZKIUGHKPSGT-LURQLKTLSA-N -1 3 266.305 -1.437 20 0 CAADHM C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H](N)Cc3nn[n-]n3)C[C@H]12 ZINC001160756529 779979858 /nfs/dbraw/zinc/97/98/58/779979858.db2.gz OHZZKIUGHKPSGT-LURQLKTLSA-N -1 3 266.305 -1.437 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCn2nncc2C1 ZINC001160831676 779982796 /nfs/dbraw/zinc/98/27/96/779982796.db2.gz BVXCSXCWFUCWKA-ZETCQYMHSA-N -1 3 263.265 -2.297 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCn2nncc2C1 ZINC001160831676 779982799 /nfs/dbraw/zinc/98/27/99/779982799.db2.gz BVXCSXCWFUCWKA-ZETCQYMHSA-N -1 3 263.265 -2.297 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N(CCO)CC(F)(F)F ZINC001160909291 779986922 /nfs/dbraw/zinc/98/69/22/779986922.db2.gz RGPHEMVEDAQIME-YFKPBYRVSA-N -1 3 282.226 -1.547 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N(CCO)CC(F)(F)F ZINC001160909291 779986930 /nfs/dbraw/zinc/98/69/30/779986930.db2.gz RGPHEMVEDAQIME-YFKPBYRVSA-N -1 3 282.226 -1.547 20 0 CAADHM CC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001161035039 779990496 /nfs/dbraw/zinc/99/04/96/779990496.db2.gz QTFIYMZYWWPUSN-SFYZADRCSA-N -1 3 252.278 -1.493 20 0 CAADHM CC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001161035040 779990731 /nfs/dbraw/zinc/99/07/31/779990731.db2.gz QTFIYMZYWWPUSN-YUMQZZPRSA-N -1 3 252.278 -1.493 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161082882 779993082 /nfs/dbraw/zinc/99/30/82/779993082.db2.gz QBIRAMDCABNYJS-ZETCQYMHSA-N -1 3 294.319 -2.257 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161082882 779993088 /nfs/dbraw/zinc/99/30/88/779993088.db2.gz QBIRAMDCABNYJS-ZETCQYMHSA-N -1 3 294.319 -2.257 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234371 780003213 /nfs/dbraw/zinc/00/32/13/780003213.db2.gz BUXFOJJHLDCQSC-BDAKNGLRSA-N -1 3 291.319 -1.475 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161234371 780003219 /nfs/dbraw/zinc/00/32/19/780003219.db2.gz BUXFOJJHLDCQSC-BDAKNGLRSA-N -1 3 291.319 -1.475 20 0 CAADHM C[C@@H]1CN(C(=O)[C@@H](N)Cc2nnn[n-]2)[C@@H](C)CO1 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282.304 -1.663 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491652 780017798 /nfs/dbraw/zinc/01/77/98/780017798.db2.gz HDOIDBLDDRNBGT-RNJXMRFFSA-N -1 3 280.288 -2.257 20 0 CAADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cn[n-]n1 ZINC001161712572 780026348 /nfs/dbraw/zinc/02/63/48/780026348.db2.gz CDIFZYKSEDGQSZ-WDSKDSINSA-N -1 3 269.261 -1.399 20 0 CAADHM Cc1nn[nH]c1C(=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001163740341 780061114 /nfs/dbraw/zinc/06/11/14/780061114.db2.gz SQSNWBGEJCMPNC-UHFFFAOYSA-N -1 3 280.292 -1.153 20 0 CAADHM Cn1c(C(=O)NCCCNCc2n[nH]c(=O)[n-]2)c[nH]c1=O ZINC001163937106 780065636 /nfs/dbraw/zinc/06/56/36/780065636.db2.gz YFEPPEZMGSMAJI-UHFFFAOYSA-N -1 3 295.303 -1.141 20 0 CAADHM CN1C[C@H](C(=O)NCCCNCc2n[nH]c(=O)[n-]2)NC1=O ZINC001163943868 780066958 /nfs/dbraw/zinc/06/69/58/780066958.db2.gz PALSXDPSWKAJPA-SSDOTTSWSA-N -1 3 297.319 -1.870 20 0 CAADHM O=C(NCCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CCNC1=O ZINC001163944571 780067964 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NC(=O)c1nnc2n1CCN(C(=O)c1ccnc(=O)[n-]1)C2 ZINC001276556734 780124185 /nfs/dbraw/zinc/12/41/85/780124185.db2.gz QINMCCKRFVQLHP-UHFFFAOYSA-N -1 3 289.255 -1.471 20 0 CAADHM O=C(N[C@H]1CCC(=O)NC1=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000089753410 780129288 /nfs/dbraw/zinc/12/92/88/780129288.db2.gz SLISHGSTTQMCEK-BYPYZUCNSA-N -1 3 266.213 -2.402 20 0 CAADHM COC[C@@H]([N-]S(=O)(=O)c1nncn1C)C(N)=O ZINC001211069129 780140478 /nfs/dbraw/zinc/14/04/78/780140478.db2.gz URSDYUQUNNFVKJ-RXMQYKEDSA-N -1 3 263.279 -2.406 20 0 CAADHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1nncn1C ZINC001211289708 780142391 /nfs/dbraw/zinc/14/23/91/780142391.db2.gz UYPHCIHQNCHRMW-RXMQYKEDSA-N -1 3 264.263 -2.373 20 0 CAADHM COC(=O)[C@@H](O)C[N-]S(=O)(=O)[C@@H]1COC[C@H]1O ZINC001211421732 780143056 /nfs/dbraw/zinc/14/30/56/780143056.db2.gz DHFWLMNVDMDHCG-RRKCRQDMSA-N -1 3 269.275 -2.801 20 0 CAADHM C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1ncccc1[O-] ZINC001218540183 780168299 /nfs/dbraw/zinc/16/82/99/780168299.db2.gz VPWYDMQGDUYEKJ-BQBZGAKWSA-N 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KVSBKRPIALOMNP-LURJTMIESA-N -1 3 273.260 -1.827 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)Nc1ncnn2cccc12 ZINC001218564853 780170597 /nfs/dbraw/zinc/17/05/97/780170597.db2.gz KVSBKRPIALOMNP-LURJTMIESA-N -1 3 273.260 -1.827 20 0 CAADHM Cc1nc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)cc(=O)[n-]1 ZINC001218563681 780170784 /nfs/dbraw/zinc/17/07/84/780170784.db2.gz BTVISVROSWFJRH-FSPLSTOPSA-N -1 3 283.288 -1.747 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218614720 780174567 /nfs/dbraw/zinc/17/45/67/780174567.db2.gz MUTWOOOBLXFDNY-ZETCQYMHSA-N -1 3 273.260 -1.021 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218614720 780174570 /nfs/dbraw/zinc/17/45/70/780174570.db2.gz MUTWOOOBLXFDNY-ZETCQYMHSA-N -1 3 273.260 -1.021 20 0 CAADHM COC(=O)Cn1cc(NC(=O)[C@@H](N)Cc2nnn[n-]2)cn1 ZINC001218609460 780174862 /nfs/dbraw/zinc/17/48/62/780174862.db2.gz DQICSZGIIXLMDT-ZETCQYMHSA-N -1 3 294.275 -1.922 20 0 CAADHM COC(=O)Cn1cc(NC(=O)[C@@H](N)Cc2nn[n-]n2)cn1 ZINC001218609460 780174865 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N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202533 780320367 /nfs/dbraw/zinc/32/03/67/780320367.db2.gz FJKDHOKOFPISSC-WDSKDSINSA-N -1 3 253.266 -2.678 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202533 780320372 /nfs/dbraw/zinc/32/03/72/780320372.db2.gz FJKDHOKOFPISSC-WDSKDSINSA-N -1 3 253.266 -2.678 20 0 CAADHM N[C@@H](CCC[NH3+])C(=O)NCCOP(=O)([O-])[O-] ZINC001220220671 780321665 /nfs/dbraw/zinc/32/16/65/780321665.db2.gz ALPHHOIVTMRFTC-LURJTMIESA-N -1 3 255.211 -1.722 20 0 CAADHM O=C(NCCOP(=O)([O-])[O-])[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220221283 780321899 /nfs/dbraw/zinc/32/18/99/780321899.db2.gz XYUJCIVUJZLPKQ-PSASIEDQSA-N -1 3 293.260 -1.589 20 0 CAADHM N[C@H](C(=O)NCS(=O)(=O)[O-])C1CCC(O)CC1 ZINC001220240628 780323359 /nfs/dbraw/zinc/32/33/59/780323359.db2.gz NYUPPESXVYKTHY-RRQHEKLDSA-N -1 3 266.319 -1.174 20 0 CAADHM NC(=O)NCCC[C@@H](N)C(=O)NCS(=O)(=O)[O-] ZINC001220240395 780323749 /nfs/dbraw/zinc/32/37/49/780323749.db2.gz KICLKVONABXGBT-RXMQYKEDSA-N -1 3 268.295 -2.276 20 0 CAADHM C[S@@](=O)CC[C@H](N)C(=O)NCS(=O)(=O)[O-] ZINC001220241004 780323885 /nfs/dbraw/zinc/32/38/85/780323885.db2.gz TVVOAHHXNCVCNC-OVZGEXIGSA-N -1 3 258.321 -1.956 20 0 CAADHM CN1C[C@@H](CNC(=O)[C@@H](N)Cc2nnn[n-]2)CC1=O ZINC001220245574 780325165 /nfs/dbraw/zinc/32/51/65/780325165.db2.gz UJZYVKPGHIKACU-RQJHMYQMSA-N -1 3 267.293 -2.336 20 0 CAADHM CN1C[C@@H](CNC(=O)[C@@H](N)Cc2nn[n-]n2)CC1=O ZINC001220245574 780325171 /nfs/dbraw/zinc/32/51/71/780325171.db2.gz UJZYVKPGHIKACU-RQJHMYQMSA-N -1 3 267.293 -2.336 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)NCCc1cnccn1 ZINC001220243473 780325282 /nfs/dbraw/zinc/32/52/82/780325282.db2.gz UEQOUECDZWGITF-QMMMGPOBSA-N -1 3 262.277 -1.782 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)NCCc1cnccn1 ZINC001220243473 780325291 /nfs/dbraw/zinc/32/52/91/780325291.db2.gz UEQOUECDZWGITF-QMMMGPOBSA-N -1 3 262.277 -1.782 20 0 CAADHM CN1C[C@H](CNC(=O)[C@@H](N)Cc2nnn[n-]2)CC1=O ZINC001220245573 780325666 /nfs/dbraw/zinc/32/56/66/780325666.db2.gz UJZYVKPGHIKACU-BQBZGAKWSA-N -1 3 267.293 -2.336 20 0 CAADHM CN1C[C@H](CNC(=O)[C@@H](N)Cc2nn[n-]n2)CC1=O ZINC001220245573 780325668 /nfs/dbraw/zinc/32/56/68/780325668.db2.gz UJZYVKPGHIKACU-BQBZGAKWSA-N -1 3 267.293 -2.336 20 0 CAADHM O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1COC2(CNC2)CN1 ZINC001220251676 780326390 /nfs/dbraw/zinc/32/63/90/780326390.db2.gz BJHUVBLGSZKYLS-LURJTMIESA-N -1 3 268.277 -2.543 20 0 CAADHM CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCc1n[nH]c(=O)[n-]1 ZINC001220251748 780327146 /nfs/dbraw/zinc/32/71/46/780327146.db2.gz DGWNRIZMFZGNON-RCOVLWMOSA-N -1 3 284.320 -1.384 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220261063 780328269 /nfs/dbraw/zinc/32/82/69/780328269.db2.gz PLLKZNMMOLAFHW-SFYZADRCSA-N -1 3 276.304 -1.534 20 0 CAADHM COC(C)(CNC(=O)[C@@H](N)Cc1nnn[n-]1)OC ZINC001220509255 780356322 /nfs/dbraw/zinc/35/63/22/780356322.db2.gz QBMHIZXXYWFQMF-LURJTMIESA-N -1 3 258.282 -1.805 20 0 CAADHM CC1(C)OCC(NC(=O)[C@@H](N)Cc2nnn[n-]2)CO1 ZINC001220271028 780328636 /nfs/dbraw/zinc/32/86/36/780328636.db2.gz QKWUJSPSNIRRDX-ZETCQYMHSA-N -1 3 270.293 -1.663 20 0 CAADHM CC1(C)OCC(NC(=O)[C@@H](N)Cc2nn[n-]n2)CO1 ZINC001220271028 780328645 /nfs/dbraw/zinc/32/86/45/780328645.db2.gz QKWUJSPSNIRRDX-ZETCQYMHSA-N -1 3 270.293 -1.663 20 0 CAADHM COC(C)(CNC(=O)[C@@H](N)Cc1nn[n-]n1)OC ZINC001220509255 780356333 /nfs/dbraw/zinc/35/63/33/780356333.db2.gz QBMHIZXXYWFQMF-LURJTMIESA-N -1 3 258.282 -1.805 20 0 CAADHM COCCn1cncc1CNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220274708 780330618 /nfs/dbraw/zinc/33/06/18/780330618.db2.gz NWVPUCFPRLLAGH-VIFPVBQESA-N -1 3 294.319 -1.771 20 0 CAADHM COCCn1cncc1CNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220274708 780330625 /nfs/dbraw/zinc/33/06/25/780330625.db2.gz NWVPUCFPRLLAGH-VIFPVBQESA-N -1 3 294.319 -1.771 20 0 CAADHM C[C@H](NC(=O)[C@@H](N)Cc1nnn[n-]1)c1cnn(C)c1 ZINC001220308901 780333591 /nfs/dbraw/zinc/33/35/91/780333591.db2.gz RBHGBWJNGBAZLC-XPUUQOCRSA-N -1 3 264.293 -1.320 20 0 CAADHM C[C@H](NC(=O)[C@@H](N)Cc1nn[n-]n1)c1cnn(C)c1 ZINC001220308901 780333597 /nfs/dbraw/zinc/33/35/97/780333597.db2.gz RBHGBWJNGBAZLC-XPUUQOCRSA-N -1 3 264.293 -1.320 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315624 780335696 /nfs/dbraw/zinc/33/56/96/780335696.db2.gz GDJGCYVJXCOWLZ-WDSKDSINSA-N -1 3 269.265 -3.299 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315624 780335702 /nfs/dbraw/zinc/33/57/02/780335702.db2.gz GDJGCYVJXCOWLZ-WDSKDSINSA-N -1 3 269.265 -3.299 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N[C@H]1CC12CCOCC2 ZINC001220329268 780337565 /nfs/dbraw/zinc/33/75/65/780337565.db2.gz KLYQSUXBBZLGHS-YUMQZZPRSA-N -1 3 266.305 -1.245 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N[C@H]1CC12CCOCC2 ZINC001220329268 780337570 /nfs/dbraw/zinc/33/75/70/780337570.db2.gz KLYQSUXBBZLGHS-YUMQZZPRSA-N -1 3 266.305 -1.245 20 0 CAADHM CC(=O)OC[C@H](N)C(=O)NCCCC[P@@](=O)([O-])O ZINC001220375341 780340459 /nfs/dbraw/zinc/34/04/59/780340459.db2.gz ODOAKKJWLHDKQS-QMMMGPOBSA-N -1 3 282.233 -1.049 20 0 CAADHM CC(=O)OC[C@H](N)C(=O)NCCCC[P@](=O)([O-])O ZINC001220375341 780340462 /nfs/dbraw/zinc/34/04/62/780340462.db2.gz ODOAKKJWLHDKQS-QMMMGPOBSA-N -1 3 282.233 -1.049 20 0 CAADHM O=C(NCCCCP(=O)([O-])[O-])[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220375097 780341246 /nfs/dbraw/zinc/34/12/46/780341246.db2.gz DLSJYPQENKWHRU-HTQZYQBOSA-N -1 3 266.234 -1.217 20 0 CAADHM N[C@]1(C(=O)NCCCCP(=O)([O-])[O-])CC[NH2+]C1 ZINC001220375197 780341783 /nfs/dbraw/zinc/34/17/83/780341783.db2.gz IOWSMFHCNIIOEK-SECBINFHSA-N -1 3 265.250 -1.249 20 0 CAADHM CN1CCOC[C@H]1CNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220381986 780342735 /nfs/dbraw/zinc/34/27/35/780342735.db2.gz OSXKWTAWEKEKQJ-SFYZADRCSA-N -1 3 269.309 -2.484 20 0 CAADHM CN1CCOC[C@H]1CNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220381986 780342736 /nfs/dbraw/zinc/34/27/36/780342736.db2.gz OSXKWTAWEKEKQJ-SFYZADRCSA-N -1 3 269.309 -2.484 20 0 CAADHM Cn1c(=O)cc(NC(=O)[C@@H](N)Cc2nnn[n-]2)[nH]c1=O ZINC001220424655 780346176 /nfs/dbraw/zinc/34/61/76/780346176.db2.gz OKUKFWSNTWOTNV-BYPYZUCNSA-N -1 3 280.248 -2.493 20 0 CAADHM Cn1c(=O)cc(NC(=O)[C@@H](N)Cc2nn[n-]n2)[nH]c1=O ZINC001220424655 780346183 /nfs/dbraw/zinc/34/61/83/780346183.db2.gz OKUKFWSNTWOTNV-BYPYZUCNSA-N -1 3 280.248 -2.493 20 0 CAADHM COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001220405925 780347031 /nfs/dbraw/zinc/34/70/31/780347031.db2.gz GRVNETOJXGVMNG-CSMHCCOUSA-N -1 3 282.304 -1.473 20 0 CAADHM COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001220405925 780347040 /nfs/dbraw/zinc/34/70/40/780347040.db2.gz GRVNETOJXGVMNG-CSMHCCOUSA-N -1 3 282.304 -1.473 20 0 CAADHM CC(=O)OC[C@H](N)C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001220471598 780351968 /nfs/dbraw/zinc/35/19/68/780351968.db2.gz TWILMHQWAXGQAE-YFKPBYRVSA-N -1 3 280.244 -1.113 20 0 CAADHM CC(C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1nn[n-]n1)C(C)C ZINC001220462445 780352209 /nfs/dbraw/zinc/35/22/09/780352209.db2.gz CTUQLJDHVKBKDT-WPRPVWTQSA-N -1 3 297.363 -1.265 20 0 CAADHM COC(=O)[C@@H](N)CC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001220492122 780354420 /nfs/dbraw/zinc/35/44/20/780354420.db2.gz ILFFXDFZXZZZGZ-QMMMGPOBSA-N -1 3 270.289 -1.027 20 0 CAADHM CCN1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001220559931 780363267 /nfs/dbraw/zinc/36/32/67/780363267.db2.gz IDMMIXVQUPSKFC-ZJUUUORDSA-N -1 3 296.327 -1.892 20 0 CAADHM CC(C)(O)CCCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220573555 780365536 /nfs/dbraw/zinc/36/55/36/780365536.db2.gz OFLNMRXCMCSPLS-ZETCQYMHSA-N -1 3 256.310 -1.263 20 0 CAADHM CC(C)(O)CCCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220573555 780365548 /nfs/dbraw/zinc/36/55/48/780365548.db2.gz OFLNMRXCMCSPLS-ZETCQYMHSA-N -1 3 256.310 -1.263 20 0 CAADHM COC(=O)[C@H](NC(=O)[C@@H](N)Cc1nnn[n-]1)C(F)(F)F ZINC001220587382 780368229 /nfs/dbraw/zinc/36/82/29/780368229.db2.gz CJZGKADEDJNTSX-UCORVYFPSA-N -1 3 296.209 -1.710 20 0 CAADHM COC(=O)[C@H](NC(=O)[C@@H](N)Cc1nn[n-]n1)C(F)(F)F ZINC001220587382 780368235 /nfs/dbraw/zinc/36/82/35/780368235.db2.gz CJZGKADEDJNTSX-UCORVYFPSA-N -1 3 296.209 -1.710 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)NCC1Oc2ccccc2O1 ZINC001220708778 780372999 /nfs/dbraw/zinc/37/29/99/780372999.db2.gz HCSYNWIFJPUWOT-ZETCQYMHSA-N -1 3 290.283 -1.017 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)NCC1Oc2ccccc2O1 ZINC001220708778 780373008 /nfs/dbraw/zinc/37/30/08/780373008.db2.gz HCSYNWIFJPUWOT-ZETCQYMHSA-N -1 3 290.283 -1.017 20 0 CAADHM CC(C)(C)NC(=O)CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220709245 780374687 /nfs/dbraw/zinc/37/46/87/780374687.db2.gz URROVVBRZBRAPO-ZETCQYMHSA-N -1 3 283.336 -1.510 20 0 CAADHM CC(C)(C)NC(=O)CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220709245 780374690 /nfs/dbraw/zinc/37/46/90/780374690.db2.gz URROVVBRZBRAPO-ZETCQYMHSA-N -1 3 283.336 -1.510 20 0 CAADHM CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220756345 780377726 /nfs/dbraw/zinc/37/77/26/780377726.db2.gz BNIOMUMBGIFNIN-XPUUQOCRSA-N -1 3 269.309 -2.042 20 0 CAADHM CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220756345 780377731 /nfs/dbraw/zinc/37/77/31/780377731.db2.gz BNIOMUMBGIFNIN-XPUUQOCRSA-N -1 3 269.309 -2.042 20 0 CAADHM CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220766479 780379578 /nfs/dbraw/zinc/37/95/78/780379578.db2.gz SZHVHWFTUULZFQ-RRKCRQDMSA-N -1 3 254.294 -1.655 20 0 CAADHM CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220766479 780379588 /nfs/dbraw/zinc/37/95/88/780379588.db2.gz SZHVHWFTUULZFQ-RRKCRQDMSA-N -1 3 254.294 -1.655 20 0 CAADHM CC1(C)[C@H](NC(=O)[C@@H](N)Cc2nnn[n-]2)C[C@@H]1O ZINC001220766480 780380022 /nfs/dbraw/zinc/38/00/22/780380022.db2.gz SZHVHWFTUULZFQ-XVMARJQXSA-N -1 3 254.294 -1.655 20 0 CAADHM CC1(C)[C@H](NC(=O)[C@@H](N)Cc2nn[n-]n2)C[C@@H]1O ZINC001220766480 780380034 /nfs/dbraw/zinc/38/00/34/780380034.db2.gz SZHVHWFTUULZFQ-XVMARJQXSA-N -1 3 254.294 -1.655 20 0 CAADHM CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220766477 780380781 /nfs/dbraw/zinc/38/07/81/780380781.db2.gz SZHVHWFTUULZFQ-ACZMJKKPSA-N -1 3 254.294 -1.655 20 0 CAADHM CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220766477 780380792 /nfs/dbraw/zinc/38/07/92/780380792.db2.gz SZHVHWFTUULZFQ-ACZMJKKPSA-N -1 3 254.294 -1.655 20 0 CAADHM O=C([O-])CCC(=O)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220849217 780385481 /nfs/dbraw/zinc/38/54/81/780385481.db2.gz WKDVUXMZMWHABD-SECBINFHSA-N -1 3 285.300 -2.133 20 0 CAADHM CSCC[C@H](NC(=O)[C@@H](N)Cc1nn[n-]n1)C(N)=O ZINC001220840817 780386792 /nfs/dbraw/zinc/38/67/92/780386792.db2.gz WOEJNNBAMGBURL-WDSKDSINSA-N -1 3 287.349 -2.207 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)NCCN1CCNCC1=O ZINC001220872070 780388552 /nfs/dbraw/zinc/38/85/52/780388552.db2.gz JCGGTUBQVZTXKS-ZETCQYMHSA-N -1 3 282.308 -3.383 20 0 CAADHM Cc1nnc(CNC(=O)[C@@H](N)Cc2nnn[n-]2)o1 ZINC001221010802 780401848 /nfs/dbraw/zinc/40/18/48/780401848.db2.gz QREYODKAHKWLPA-YFKPBYRVSA-N -1 3 252.238 -1.923 20 0 CAADHM Cc1nnc(CNC(=O)[C@@H](N)Cc2nn[n-]n2)o1 ZINC001221010802 780401851 /nfs/dbraw/zinc/40/18/51/780401851.db2.gz QREYODKAHKWLPA-YFKPBYRVSA-N -1 3 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COC(=O)[C@@H](N)CCC(=O)Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001218574922 780172090 /nfs/dbraw/zinc/17/20/90/780172090.db2.gz ZDLPLNRJNHGOHC-BYPYZUCNSA-N -1 3 285.260 -1.311 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)Nc1noc2nccnc12 ZINC001218573744 780172136 /nfs/dbraw/zinc/17/21/36/780172136.db2.gz KRRKUKRMBDOGDB-BYPYZUCNSA-N -1 3 275.232 -1.361 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)Nc1noc2nccnc12 ZINC001218573744 780172144 /nfs/dbraw/zinc/17/21/44/780172144.db2.gz KRRKUKRMBDOGDB-BYPYZUCNSA-N -1 3 275.232 -1.361 20 0 CAADHM N=c1c(N)c(Cl)ccn1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001218566829 780172215 /nfs/dbraw/zinc/17/22/15/780172215.db2.gz KZCCOVYDXWHERX-YFKPBYRVSA-N -1 3 282.695 -1.074 20 0 CAADHM N=c1c(N)c(Cl)ccn1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001218566829 780172220 /nfs/dbraw/zinc/17/22/20/780172220.db2.gz KZCCOVYDXWHERX-YFKPBYRVSA-N -1 3 282.695 -1.074 20 0 CAADHM Cn1ncc2cc(NC(=O)[C@@H](N)Cc3nnn[n-]3)cnc21 ZINC001218615188 780175343 /nfs/dbraw/zinc/17/53/43/780175343.db2.gz MGNOKYQHSQKKQA-QMMMGPOBSA-N -1 3 287.287 -1.010 20 0 CAADHM Cn1ncc2cc(NC(=O)[C@@H](N)Cc3nn[n-]n3)cnc21 ZINC001218615188 780175347 /nfs/dbraw/zinc/17/53/47/780175347.db2.gz MGNOKYQHSQKKQA-QMMMGPOBSA-N -1 3 287.287 -1.010 20 0 CAADHM CC(=O)Nc1cc(NC(=O)[C@@H](N)Cc2nnn[n-]2)ncn1 ZINC001218609192 780175614 /nfs/dbraw/zinc/17/56/14/780175614.db2.gz CMDMWUMMCOHSRQ-LURJTMIESA-N -1 3 291.275 -1.543 20 0 CAADHM CC(=O)Nc1cc(NC(=O)[C@@H](N)Cc2nn[n-]n2)ncn1 ZINC001218609192 780175618 /nfs/dbraw/zinc/17/56/18/780175618.db2.gz CMDMWUMMCOHSRQ-LURJTMIESA-N -1 3 291.275 -1.543 20 0 CAADHM COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001218639012 780177837 /nfs/dbraw/zinc/17/78/37/780177837.db2.gz AFDVADRWTLAQQO-YFKPBYRVSA-N -1 3 294.275 -1.474 20 0 CAADHM COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001218639012 780177839 /nfs/dbraw/zinc/17/78/39/780177839.db2.gz AFDVADRWTLAQQO-YFKPBYRVSA-N -1 3 294.275 -1.474 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652258 780178991 /nfs/dbraw/zinc/17/89/91/780178991.db2.gz KQZYZPRJAHINBX-YFKPBYRVSA-N -1 3 250.222 -1.796 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652258 780178994 /nfs/dbraw/zinc/17/89/94/780178994.db2.gz KQZYZPRJAHINBX-YFKPBYRVSA-N -1 3 250.222 -1.796 20 0 CAADHM Nc1cc[nH]c(=O)c1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001218679181 780180072 /nfs/dbraw/zinc/18/00/72/780180072.db2.gz PFAODWYHUPIKFE-YFKPBYRVSA-N -1 3 264.249 -1.609 20 0 CAADHM Nc1cc[nH]c(=O)c1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001218679181 780180080 /nfs/dbraw/zinc/18/00/80/780180080.db2.gz PFAODWYHUPIKFE-YFKPBYRVSA-N -1 3 264.249 -1.609 20 0 CAADHM Nc1cnc(Cl)c(NC(=O)[C@@H](N)Cc2nnn[n-]2)n1 ZINC001218673843 780180480 /nfs/dbraw/zinc/18/04/80/780180480.db2.gz HDOUVHODAHJXND-VKHMYHEASA-N -1 3 283.683 -1.266 20 0 CAADHM Nc1cnc(Cl)c(NC(=O)[C@@H](N)Cc2nn[n-]n2)n1 ZINC001218673843 780180483 /nfs/dbraw/zinc/18/04/83/780180483.db2.gz HDOUVHODAHJXND-VKHMYHEASA-N -1 3 283.683 -1.266 20 0 CAADHM Cc1ncn(C)c1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001218697605 780181749 /nfs/dbraw/zinc/18/17/49/780181749.db2.gz HJACDGGTWZZZHT-LURJTMIESA-N -1 3 250.266 -1.250 20 0 CAADHM Cc1ncn(C)c1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001218697605 780181751 /nfs/dbraw/zinc/18/17/51/780181751.db2.gz HJACDGGTWZZZHT-LURJTMIESA-N -1 3 250.266 -1.250 20 0 CAADHM COCn1cc(NC(=O)[C@@H](N)Cc2nnn[n-]2)cn1 ZINC001218701559 780181852 /nfs/dbraw/zinc/18/18/52/780181852.db2.gz VWYMXVHPBIUVOW-ZETCQYMHSA-N -1 3 266.265 -1.491 20 0 CAADHM COCn1cc(NC(=O)[C@@H](N)Cc2nn[n-]n2)cn1 ZINC001218701559 780181855 /nfs/dbraw/zinc/18/18/55/780181855.db2.gz VWYMXVHPBIUVOW-ZETCQYMHSA-N -1 3 266.265 -1.491 20 0 CAADHM CN=c1c(N)cc(Cl)nn1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001218743397 780182859 /nfs/dbraw/zinc/18/28/59/780182859.db2.gz TYYZWWVDWZEWHD-YFKPBYRVSA-N -1 3 297.710 -1.628 20 0 CAADHM CN=c1c(N)cc(Cl)nn1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001218743397 780182863 /nfs/dbraw/zinc/18/28/63/780182863.db2.gz TYYZWWVDWZEWHD-YFKPBYRVSA-N -1 3 297.710 -1.628 20 0 CAADHM O=C(NC1C(=O)N=CN=C1[O-])[C@@H]1COC2(CNC2)CN1 ZINC001218702894 780183271 /nfs/dbraw/zinc/18/32/71/780183271.db2.gz ZCEBCCYGZJWPPN-LURJTMIESA-N -1 3 281.272 -1.843 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)Nc1ncccc1CCO ZINC001218790374 780184402 /nfs/dbraw/zinc/18/44/02/780184402.db2.gz HFOCTIAEXIMLEJ-QMMMGPOBSA-N -1 3 277.288 -1.362 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)Nc1ncccc1CCO ZINC001218790374 780184407 /nfs/dbraw/zinc/18/44/07/780184407.db2.gz HFOCTIAEXIMLEJ-QMMMGPOBSA-N -1 3 277.288 -1.362 20 0 CAADHM CNC(=O)c1cccnc1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001218764190 780184913 /nfs/dbraw/zinc/18/49/13/780184913.db2.gz MSQQZZDNWSOVHG-ZETCQYMHSA-N -1 3 290.287 -1.537 20 0 CAADHM CNC(=O)c1cccnc1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001218764190 780184920 /nfs/dbraw/zinc/18/49/20/780184920.db2.gz MSQQZZDNWSOVHG-ZETCQYMHSA-N -1 3 290.287 -1.537 20 0 CAADHM NC(=O)Cc1cccc(NC(=O)[C@@H](N)Cc2nnn[n-]2)c1 ZINC001218954385 780185907 /nfs/dbraw/zinc/18/59/07/780185907.db2.gz KSPHQCCTVMVJPR-VIFPVBQESA-N -1 3 289.299 -1.264 20 0 CAADHM NC(=O)Cc1cccc(NC(=O)[C@@H](N)Cc2nn[n-]n2)c1 ZINC001218954385 780185914 /nfs/dbraw/zinc/18/59/14/780185914.db2.gz KSPHQCCTVMVJPR-VIFPVBQESA-N -1 3 289.299 -1.264 20 0 CAADHM NC[C@H](N)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001218962246 780186338 /nfs/dbraw/zinc/18/63/38/780186338.db2.gz GKVWGPKJLRWZBB-ZETCQYMHSA-N -1 3 284.297 -1.657 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573165 780234411 /nfs/dbraw/zinc/23/44/11/780234411.db2.gz GFQJTZQBUKFNPF-QMMMGPOBSA-N -1 3 297.319 -2.565 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573165 780234414 /nfs/dbraw/zinc/23/44/14/780234414.db2.gz GFQJTZQBUKFNPF-QMMMGPOBSA-N -1 3 297.319 -2.565 20 0 CAADHM CS(=O)(=O)CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001219608087 780238013 /nfs/dbraw/zinc/23/80/13/780238013.db2.gz OLNXMLMWXFAYNJ-YFKPBYRVSA-N -1 3 262.295 -2.770 20 0 CAADHM Cn1cnc(CCNC(=O)[C@@H](N)Cc2nnn[n-]2)c1 ZINC001219632922 780244063 /nfs/dbraw/zinc/24/40/63/780244063.db2.gz UJFZUHVPMNLATG-QMMMGPOBSA-N -1 3 264.293 -1.838 20 0 CAADHM Cn1cnc(CCNC(=O)[C@@H](N)Cc2nn[n-]n2)c1 ZINC001219632922 780244068 /nfs/dbraw/zinc/24/40/68/780244068.db2.gz UJFZUHVPMNLATG-QMMMGPOBSA-N -1 3 264.293 -1.838 20 0 CAADHM CCOC(=O)CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001219691881 780248879 /nfs/dbraw/zinc/24/88/79/780248879.db2.gz YZQUIPHSWDOFRK-LURJTMIESA-N -1 3 256.266 -1.861 20 0 CAADHM CCOC(=O)CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001219691881 780248876 /nfs/dbraw/zinc/24/88/76/780248876.db2.gz YZQUIPHSWDOFRK-LURJTMIESA-N -1 3 256.266 -1.861 20 0 CAADHM CN1CCO[C@@H](CNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219695796 780249883 /nfs/dbraw/zinc/24/98/83/780249883.db2.gz YTASGWUFFNKOIY-YUMQZZPRSA-N -1 3 269.309 -2.484 20 0 CAADHM CN1CCO[C@@H](CNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219695796 780249887 /nfs/dbraw/zinc/24/98/87/780249887.db2.gz YTASGWUFFNKOIY-YUMQZZPRSA-N -1 3 269.309 -2.484 20 0 CAADHM N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865975 780271836 /nfs/dbraw/zinc/27/18/36/780271836.db2.gz YGBFPKDRMBWQKP-JBLDHEPKSA-N -1 3 288.311 -1.156 20 0 CAADHM N[C@@H](Cc1nn[n-]n1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865975 780271839 /nfs/dbraw/zinc/27/18/39/780271839.db2.gz YGBFPKDRMBWQKP-JBLDHEPKSA-N -1 3 288.311 -1.156 20 0 CAADHM CC(C)OC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001219880502 780273348 /nfs/dbraw/zinc/27/33/48/780273348.db2.gz BVKGSEUSYDZWHR-BQBZGAKWSA-N -1 3 270.293 -1.474 20 0 CAADHM CC(C)OC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001219880502 780273354 /nfs/dbraw/zinc/27/33/54/780273354.db2.gz BVKGSEUSYDZWHR-BQBZGAKWSA-N -1 3 270.293 -1.474 20 0 CAADHM N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001219903782 780274891 /nfs/dbraw/zinc/27/48/91/780274891.db2.gz HIWXAFQRQWTHBK-SVGQVSJJSA-N -1 3 269.286 -1.295 20 0 CAADHM Nc1ccccc1CNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001219925265 780277096 /nfs/dbraw/zinc/27/70/96/780277096.db2.gz HWZGHLGUCNJZLW-VIFPVBQESA-N -1 3 261.289 -1.032 20 0 CAADHM Nc1ccccc1CNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001219925265 780277099 /nfs/dbraw/zinc/27/70/99/780277099.db2.gz HWZGHLGUCNJZLW-VIFPVBQESA-N -1 3 261.289 -1.032 20 0 CAADHM Cc1nonc1CNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001219948212 780280595 /nfs/dbraw/zinc/28/05/95/780280595.db2.gz OVSYHWJHVJLAFQ-YFKPBYRVSA-N -1 3 252.238 -1.923 20 0 CAADHM Cc1nonc1CNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001219948212 780280604 /nfs/dbraw/zinc/28/06/04/780280604.db2.gz OVSYHWJHVJLAFQ-YFKPBYRVSA-N -1 3 252.238 -1.923 20 0 CAADHM COC(=O)[C@@H](N)CC(=O)NCCCc1c[n-][nH]c1=O ZINC001219967886 780284617 /nfs/dbraw/zinc/28/46/17/780284617.db2.gz NKUGDOUTUXSZTE-YUMQZZPRSA-N -1 3 270.289 -1.495 20 0 CAADHM COC(=O)[C@@H](N)CCC(=O)NCCCc1c[n-][nH]c1=O ZINC001219967937 780284906 /nfs/dbraw/zinc/28/49/06/780284906.db2.gz PPVQFDPBEUBZNN-BDAKNGLRSA-N -1 3 284.316 -1.105 20 0 CAADHM COC(=O)[C@@H](N)CC(=O)NCCCc1c[n-][nH]c1=O ZINC001219967885 780284971 /nfs/dbraw/zinc/28/49/71/780284971.db2.gz NKUGDOUTUXSZTE-SFYZADRCSA-N -1 3 270.289 -1.495 20 0 CAADHM O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1COCCN1 ZINC001219969585 780284986 /nfs/dbraw/zinc/28/49/86/780284986.db2.gz FSWILMUHACFQAJ-BDAKNGLRSA-N -1 3 254.290 -1.397 20 0 CAADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1nnn(C)n1 ZINC001219979863 780287724 /nfs/dbraw/zinc/28/77/24/780287724.db2.gz XHWAFKGWNIAFTC-ZCFIWIBFSA-N -1 3 266.265 -1.156 20 0 CAADHM CN1C[C@@H](NC(=O)[C@@H](N)Cc2nnn[n-]2)CCC1=O ZINC001220005363 780289233 /nfs/dbraw/zinc/28/92/33/780289233.db2.gz YILZBQXWVUQBIR-BQBZGAKWSA-N -1 3 267.293 -2.194 20 0 CAADHM CN1C[C@@H](NC(=O)[C@@H](N)Cc2nn[n-]n2)CCC1=O ZINC001220005363 780289239 /nfs/dbraw/zinc/28/92/39/780289239.db2.gz YILZBQXWVUQBIR-BQBZGAKWSA-N -1 3 267.293 -2.194 20 0 CAADHM CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N[C@@H]1CO[N-]C1=O ZINC001220027744 780293409 /nfs/dbraw/zinc/29/34/09/780293409.db2.gz CQQIXCGGRUOVJM-HTQZYQBOSA-N -1 3 287.316 -1.018 20 0 CAADHM N[C@H](C(=O)N[C@@H]1CO[N-]C1=O)C1CCC(O)CC1 ZINC001220028549 780293820 /nfs/dbraw/zinc/29/38/20/780293820.db2.gz 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