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ZINC001591420086 1076151610 /nfs/dbraw/zinc/15/16/10/1076151610.db2.gz JNMVWENNMGVMOG-JTQLQIEISA-N 0 2 397.417 -1.915 20 0 GAADLN COCCN(C(=O)Cn1cnc(-c2nn[nH]n2)cc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001591420087 1076151708 /nfs/dbraw/zinc/15/17/08/1076151708.db2.gz JNMVWENNMGVMOG-SNVBAGLBSA-N 0 2 397.417 -1.915 20 0 GAADLN COCCN(CC(=O)OC)C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591421657 1076151739 /nfs/dbraw/zinc/15/17/39/1076151739.db2.gz ROXXWUIOCWAUNY-UHFFFAOYSA-N 0 2 381.349 -1.833 20 0 GAADLN COCCN1C[C@H](C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1=O ZINC001591428455 1076152791 /nfs/dbraw/zinc/15/27/91/1076152791.db2.gz BBQWIUOESVVNFK-SECBINFHSA-N 0 2 392.376 -2.260 20 0 GAADLN COCCN1C[C@@H](C(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1=O ZINC001591428456 1076152827 /nfs/dbraw/zinc/15/28/27/1076152827.db2.gz BBQWIUOESVVNFK-VIFPVBQESA-N 0 2 392.376 -2.260 20 0 GAADLN COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1C ZINC001591430742 1076153309 /nfs/dbraw/zinc/15/33/09/1076153309.db2.gz WQHVJOFSQLMCPG-PHIMTYICSA-N 0 2 392.420 -1.303 20 0 GAADLN COCC[N@H+]1[C@H](C)CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C[C@@H]1C ZINC001591430742 1076153305 /nfs/dbraw/zinc/15/33/05/1076153305.db2.gz WQHVJOFSQLMCPG-PHIMTYICSA-N 0 2 392.420 -1.303 20 0 GAADLN COCCNC(=O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001591432123 1076153266 /nfs/dbraw/zinc/15/32/66/1076153266.db2.gz KLKVQSZEBZDPFB-UHFFFAOYSA-N 0 2 378.393 -1.767 20 0 GAADLN COCCNC(=O)C1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC001591432882 1076153891 /nfs/dbraw/zinc/15/38/91/1076153891.db2.gz YPPSPCYEFNZZKO-UHFFFAOYSA-N 0 2 392.420 -1.757 20 0 GAADLN COCCOC[C@@H](C)NC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591436185 1076155214 /nfs/dbraw/zinc/15/52/14/1076155214.db2.gz LHNGJYWCIBVKHO-SECBINFHSA-N 0 2 382.381 -1.520 20 0 GAADLN COCCOC[C@H](C)NC(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591436201 1076155293 /nfs/dbraw/zinc/15/52/93/1076155293.db2.gz LHNGJYWCIBVKHO-VIFPVBQESA-N 0 2 382.381 -1.520 20 0 GAADLN COCCOCCNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591438849 1076156157 /nfs/dbraw/zinc/15/61/57/1076156157.db2.gz GEIWMQDZFZBFQB-UHFFFAOYSA-N 0 2 380.365 -1.642 20 0 GAADLN COCCn1cc(CNC(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)cn1 ZINC001591450662 1076156138 /nfs/dbraw/zinc/15/61/38/1076156138.db2.gz PKYKUYKONOYEMY-UHFFFAOYSA-N 0 2 375.349 -1.712 20 0 GAADLN COCCn1nnc2c1CCN(c1c(-c3nn[nH]n3)c(=O)n(C)c(=O)n1C)C2 ZINC001591452145 1076156643 /nfs/dbraw/zinc/15/66/43/1076156643.db2.gz VHKUSMZYGULZIP-UHFFFAOYSA-N 0 2 388.392 -1.935 20 0 GAADLN COCc1nn(C)cc1C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591460706 1076156623 /nfs/dbraw/zinc/15/66/23/1076156623.db2.gz MFJNCGLLGRMUCA-UHFFFAOYSA-N 0 2 387.360 -1.294 20 0 GAADLN CONC(=O)C1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001591467025 1076157171 /nfs/dbraw/zinc/15/71/71/1076157171.db2.gz HBCJOKJCOGMZNZ-UHFFFAOYSA-N 0 2 378.349 -1.955 20 0 GAADLN CON1CCC(NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001591468191 1076157186 /nfs/dbraw/zinc/15/71/86/1076157186.db2.gz JMKUBKSLCSFMMC-UHFFFAOYSA-N 0 2 391.392 -1.279 20 0 GAADLN CO[C@@H]1CCN(C(=O)C(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001591469347 1076157113 /nfs/dbraw/zinc/15/71/13/1076157113.db2.gz UZMIRWOIIXSMNZ-SECBINFHSA-N 0 2 390.360 -2.240 20 0 GAADLN CO[C@H](C)CNC(=O)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591473596 1076159374 /nfs/dbraw/zinc/15/93/74/1076159374.db2.gz MZNMPBRULQXXTF-SSDOTTSWSA-N 0 2 378.349 -2.337 20 0 GAADLN COc1cc(NCCCNc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)ncn1 ZINC001591547448 1076160397 /nfs/dbraw/zinc/16/03/97/1076160397.db2.gz UZYLDAZJAHIYKH-UHFFFAOYSA-N 0 2 388.392 -1.023 20 0 GAADLN COc1ccccc1[C@@H](O)C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591649314 1076161925 /nfs/dbraw/zinc/16/19/25/1076161925.db2.gz NASCVNABHPVLTQ-GFCCVEGCSA-N 0 2 387.356 -1.013 20 0 GAADLN COc1ccccc1[C@H](O)C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001591649319 1076161894 /nfs/dbraw/zinc/16/18/94/1076161894.db2.gz NASCVNABHPVLTQ-LBPRGKRZSA-N 0 2 387.356 -1.013 20 0 GAADLN COc1coc(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)cc1=O ZINC001591659573 1076162148 /nfs/dbraw/zinc/16/21/48/1076162148.db2.gz XLAXLNVNKNCMBQ-UHFFFAOYSA-N 0 2 387.312 -1.212 20 0 GAADLN CS(=O)(=O)[C@@H]1CCCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591674462 1076163178 /nfs/dbraw/zinc/16/31/78/1076163178.db2.gz XKFMEPZNWOUVAK-SECBINFHSA-N 0 2 397.417 -1.445 20 0 GAADLN CS(=O)(=O)[C@H]1CCCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591674463 1076163062 /nfs/dbraw/zinc/16/30/62/1076163062.db2.gz XKFMEPZNWOUVAK-VIFPVBQESA-N 0 2 397.417 -1.445 20 0 GAADLN CS(=O)(=O)CCCC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591674646 1076163048 /nfs/dbraw/zinc/16/30/48/1076163048.db2.gz MSUMEIGOEGODFZ-UHFFFAOYSA-N 0 2 383.390 -1.663 20 0 GAADLN CS(=O)(=O)N1CC(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)C1 ZINC001591680223 1076165524 /nfs/dbraw/zinc/16/55/24/1076165524.db2.gz KJGYINDAGOREBE-UHFFFAOYSA-N 0 2 396.389 -2.596 20 0 GAADLN C[S@@](=O)C1(CNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001591683769 1076165908 /nfs/dbraw/zinc/16/59/08/1076165908.db2.gz ZCCYAJKCRHPCMP-HHHXNRCGSA-N 0 2 394.417 -1.394 20 0 GAADLN C[S@](=O)C1(CNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)CC1 ZINC001591683770 1076165869 /nfs/dbraw/zinc/16/58/69/1076165869.db2.gz ZCCYAJKCRHPCMP-MHZLTWQESA-N 0 2 394.417 -1.394 20 0 GAADLN C[S@@](=O)CCCNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591684139 1076166030 /nfs/dbraw/zinc/16/60/30/1076166030.db2.gz MKQDYJXRTKXXEZ-AREMUKBSSA-N 0 2 382.406 -1.536 20 0 GAADLN C[S@](=O)CCCNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591684140 1076166014 /nfs/dbraw/zinc/16/60/14/1076166014.db2.gz MKQDYJXRTKXXEZ-SANMLTNESA-N 0 2 382.406 -1.536 20 0 GAADLN CSCC[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)C(=O)N(C)C ZINC001591701091 1076166375 /nfs/dbraw/zinc/16/63/75/1076166375.db2.gz BAUWCVXTXJDOPB-VIFPVBQESA-N 0 2 396.433 -1.545 20 0 GAADLN C[C@@H](NC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)C(=O)N(C)C ZINC001591727580 1076166925 /nfs/dbraw/zinc/16/69/25/1076166925.db2.gz FPHWORDUFBHGGT-SSDOTTSWSA-N 0 2 377.365 -1.828 20 0 GAADLN C[C@@H](O)CN(C)C(=O)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001591731456 1076166873 /nfs/dbraw/zinc/16/68/73/1076166873.db2.gz IOGMAPPKTITPDC-SSDOTTSWSA-N 0 2 378.349 -2.649 20 0 GAADLN C[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001591754856 1076169473 /nfs/dbraw/zinc/16/94/73/1076169473.db2.gz FVDCVEHQFFYTOA-MIMYLULJSA-N 0 2 385.388 -1.057 20 0 GAADLN C[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CCN1c1ncccc1-c1nn[nH]n1 ZINC001591754892 1076169517 /nfs/dbraw/zinc/16/95/17/1076169517.db2.gz KBTWICCCSMAYRE-MIMYLULJSA-N 0 2 385.388 -1.057 20 0 GAADLN C[C@H](NC(=O)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1)C(=O)N(C)C ZINC001591766254 1076170531 /nfs/dbraw/zinc/17/05/31/1076170531.db2.gz FPHWORDUFBHGGT-ZETCQYMHSA-N 0 2 377.365 -1.828 20 0 GAADLN Cc1c(-c2nn[nH]n2)c(=O)n(CC2(CS(C)(=O)=O)CC2)c(=O)n1CCO ZINC001591793747 1076171096 /nfs/dbraw/zinc/17/10/96/1076171096.db2.gz GRZXUSRZYKQJEP-UHFFFAOYSA-N 0 2 384.418 -1.684 20 0 GAADLN Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)N2CCOC(C)(C)C2)c(=O)n1CCO ZINC001591793785 1076171197 /nfs/dbraw/zinc/17/11/97/1076171197.db2.gz IXJORIBSYQPWGD-UHFFFAOYSA-N 0 2 393.404 -1.872 20 0 GAADLN Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)N2CCC(C)CC2)c(=O)n1CCO ZINC001591793806 1076171202 /nfs/dbraw/zinc/17/12/02/1076171202.db2.gz JSFFRHZWHLBBDI-UHFFFAOYSA-N 0 2 377.405 -1.251 20 0 GAADLN Cc1c(CNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)cnn1C ZINC001591818570 1076171554 /nfs/dbraw/zinc/17/15/54/1076171554.db2.gz KOMAYJKUKAYNKG-UHFFFAOYSA-N 0 2 386.376 -1.063 20 0 GAADLN Cc1cc(-c2nn[nH]n2)c(=O)[nH]c1C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001591834892 1076171809 /nfs/dbraw/zinc/17/18/09/1076171809.db2.gz VTTQFLWUIUGIFO-SECBINFHSA-N 0 2 397.417 -1.334 20 0 GAADLN Cc1cc(-c2nn[nH]n2)c(=O)[nH]c1C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001591834893 1076171727 /nfs/dbraw/zinc/17/17/27/1076171727.db2.gz VTTQFLWUIUGIFO-VIFPVBQESA-N 0 2 397.417 -1.334 20 0 GAADLN Cc1cc(-c2nn[nH]n2)c(=O)[nH]c1C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001591835619 1076171759 /nfs/dbraw/zinc/17/17/59/1076171759.db2.gz NBXOFSCESNTAEY-UHFFFAOYSA-N 0 2 382.344 -1.053 20 0 GAADLN Cc1cc(-c2nn[nH]n2)c(=O)[nH]c1C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC001591835748 1076171491 /nfs/dbraw/zinc/17/14/91/1076171491.db2.gz RSRURCQZVGWJSA-UHFFFAOYSA-N 0 2 386.372 -1.044 20 0 GAADLN Cc1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 ZINC001591836245 1076171775 /nfs/dbraw/zinc/17/17/75/1076171775.db2.gz IEAFDOAZHKJSJQ-UHFFFAOYSA-N 0 2 395.445 -1.123 20 0 GAADLN Cc1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NCCCN(C)S(C)(=O)=O)c1 ZINC001591836292 1076171673 /nfs/dbraw/zinc/17/16/73/1076171673.db2.gz KWLNWXQAHILVCU-UHFFFAOYSA-N 0 2 383.434 -1.265 20 0 GAADLN CC(C)[C@H](NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)C(=O)[O-] ZINC001591867707 976185913 /nfs/dbraw/zinc/18/59/13/976185913.db2.gz UYXOWXVPOQAYGX-ZDUSSCGKSA-N 0 2 398.416 -1.275 20 0 GAADLN Cc1cc(-c2nn[nH]n2)nc(N(C)CCOCCNC(=O)Cc2nnc[nH]2)n1 ZINC001591884774 1076172556 /nfs/dbraw/zinc/17/25/56/1076172556.db2.gz YPJQTSVPGZFRJT-UHFFFAOYSA-N 0 2 387.408 -1.105 20 0 GAADLN Cc1cc(-c2nn[nH]n2)nc(N2C[C@@H](NC(=O)C3=NC(=O)N(C)C3)[C@@H](O)C2)n1 ZINC001591890816 1076174639 /nfs/dbraw/zinc/17/46/39/1076174639.db2.gz QKQXNNTWOJABMT-KOLCDFICSA-N 0 2 386.376 -1.616 20 0 GAADLN Cc1cc(CN2CCN(c3c(-c4nn[nH]n4)c(=O)n(C)c(=O)n3C)CC2)no1 ZINC001591964792 1076176469 /nfs/dbraw/zinc/17/64/69/1076176469.db2.gz YZGUGWDEYOMTMF-UHFFFAOYSA-N 0 2 387.404 -1.117 20 0 GAADLN Cc1cc(NCCNC(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)n(C)n1 ZINC001592049372 1076178470 /nfs/dbraw/zinc/17/84/70/1076178470.db2.gz RXRFPTTZLVETAV-UHFFFAOYSA-N 0 2 388.392 -1.211 20 0 GAADLN Cc1cc(S(=O)(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)sn1 ZINC001592064612 1076178442 /nfs/dbraw/zinc/17/84/42/1076178442.db2.gz AZMGRCXUQXEHCS-UHFFFAOYSA-N 0 2 384.403 -1.128 20 0 GAADLN Cc1ccccc1CNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(CCO)c1=O ZINC001592256541 1076179874 /nfs/dbraw/zinc/17/98/74/1076179874.db2.gz GWESVGLLTJGGIM-UHFFFAOYSA-N 0 2 385.384 -1.193 20 0 GAADLN Cc1ccccc1CCNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(CCO)c1=O ZINC001592257339 1076179980 /nfs/dbraw/zinc/17/99/80/1076179980.db2.gz CRVOBBOMUKCESJ-UHFFFAOYSA-N 0 2 399.411 -1.150 20 0 GAADLN Cc1ccn(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c(=O)c1-c1nn[nH]n1 ZINC001592266941 1076179740 /nfs/dbraw/zinc/17/97/40/1076179740.db2.gz KBRNRGHCEBMKPZ-UHFFFAOYSA-N 0 2 386.416 -1.283 20 0 GAADLN Cc1ccn(CN2CCN(C(=O)C(=O)NC(C)C)CC2)c(=O)c1-c1nn[nH]n1 ZINC001592268016 1076179841 /nfs/dbraw/zinc/17/98/41/1076179841.db2.gz WAXIDRWSPBAQLK-UHFFFAOYSA-N 0 2 388.432 -1.037 20 0 GAADLN Cc1cnc2c(cnn2CC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)c1 ZINC001592294341 1076179803 /nfs/dbraw/zinc/17/98/03/1076179803.db2.gz AIPCSQUVVKSAKL-UHFFFAOYSA-N 0 2 396.371 -1.001 20 0 GAADLN Cc1nc(CC(=O)NCCOCCN(C)c2cnc(-c3nn[nH]n3)cn2)n[nH]1 ZINC001592326491 1076180185 /nfs/dbraw/zinc/18/01/85/1076180185.db2.gz MERGETUVPSOHMM-UHFFFAOYSA-N 0 2 387.408 -1.105 20 0 GAADLN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCc4n[nH]nc4C3)CC2)o1 ZINC001592336936 1076180314 /nfs/dbraw/zinc/18/03/14/1076180314.db2.gz ITSMJAALKTVKIN-UHFFFAOYSA-N 0 2 399.419 -1.012 20 0 GAADLN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(C)CCOCCO)CC2)o1 ZINC001592336992 1076180246 /nfs/dbraw/zinc/18/02/46/1076180246.db2.gz LMADEOXUZYTYQV-UHFFFAOYSA-N 0 2 394.436 -1.248 20 0 GAADLN Cc1nc(N2CC[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)ccc1-c1nn[nH]n1 ZINC001592374035 1076181461 /nfs/dbraw/zinc/18/14/61/1076181461.db2.gz VNNQZEMUEVGVEF-ONGXEEELSA-N 0 2 385.388 -1.137 20 0 GAADLN Cc1nccnc1N1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001592419953 1076182327 /nfs/dbraw/zinc/18/23/27/1076182327.db2.gz HFVJAYQCFSXODU-UHFFFAOYSA-N 0 2 398.387 -1.424 20 0 GAADLN Cc1nnc(CC(=O)N2CC(n3cc(-c4nn[nH]n4)c(=O)[nH]c3=O)C2)s1 ZINC001592440762 1076183751 /nfs/dbraw/zinc/18/37/51/1076183751.db2.gz LEPJXSCNZQSJIT-UHFFFAOYSA-N 0 2 375.374 -1.085 20 0 GAADLN Cc1nnc2n1C[C@H](C(=O)NCCn1cc(-c3nn[nH]n3)c(=O)[nH]c1=O)CC2 ZINC001592450017 1076183805 /nfs/dbraw/zinc/18/38/05/1076183805.db2.gz AUMHVXVWHOFNOL-SECBINFHSA-N 0 2 386.376 -1.592 20 0 GAADLN Cc1nnc2n1C[C@@H](C(=O)NCCn1cc(-c3nn[nH]n3)c(=O)[nH]c1=O)CC2 ZINC001592450018 1076183790 /nfs/dbraw/zinc/18/37/90/1076183790.db2.gz AUMHVXVWHOFNOL-VIFPVBQESA-N 0 2 386.376 -1.592 20 0 GAADLN Cn1c(=O)[nH]c(N2CCN(C(=O)N3CCCC3)CC2)c(-c2nn[nH]n2)c1=O ZINC001592543395 1076185303 /nfs/dbraw/zinc/18/53/03/1076185303.db2.gz JLWJONKUESUNBN-UHFFFAOYSA-N 0 2 375.393 -1.409 20 0 GAADLN Cn1c(=O)[nH]c(N2CCC(C(=O)NCCCO)CC2)c(-c2nn[nH]n2)c1=O ZINC001592543408 1076185353 /nfs/dbraw/zinc/18/53/53/1076185353.db2.gz JVAMKLPCVBUUFF-UHFFFAOYSA-N 0 2 378.393 -2.031 20 0 GAADLN Cn1c(=O)[nH]c(N2CCCC[C@@H]2CCNS(C)(=O)=O)c(-c2nn[nH]n2)c1=O ZINC001592543784 1076185164 /nfs/dbraw/zinc/18/51/64/1076185164.db2.gz 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RXDOEZNZUANSGP-ZIAGYGMSSA-N 0 2 386.449 -1.213 20 0 GAADLN COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001593835845 955180069 /nfs/dbraw/zinc/18/00/69/955180069.db2.gz IYRNAUQGOSLOLM-CYBMUJFWSA-N 0 2 385.417 -1.357 20 0 GAADLN COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001593835846 955180373 /nfs/dbraw/zinc/18/03/73/955180373.db2.gz IYRNAUQGOSLOLM-ZDUSSCGKSA-N 0 2 385.417 -1.357 20 0 GAADLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594165055 958947773 /nfs/dbraw/zinc/94/77/73/958947773.db2.gz JDFQCOOHQURYRO-CYBMUJFWSA-N 0 2 389.474 -1.065 20 0 GAADLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594165056 958947054 /nfs/dbraw/zinc/94/70/54/958947054.db2.gz JDFQCOOHQURYRO-ZDUSSCGKSA-N 0 2 389.474 -1.065 20 0 GAADLN C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2[N@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC001594339687 1076256241 /nfs/dbraw/zinc/25/62/41/1076256241.db2.gz KIGPYUONTJPORQ-LLHIFLOGSA-N 0 2 380.401 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