smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1ccc2cc(O)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2o1 ZINC000000898174 574411107 /nfs/dbraw/zinc/41/11/07/574411107.db2.gz WNBCMONIPIJTSB-DJIJKHNZSA-N 0 0 340.284 -1.323 1 0 endogenous,in-man EAAFRN COc1c(O)cc2c(c1O)[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1OC2=O ZINC000002048952 560186472 /nfs/dbraw/zinc/18/64/72/560186472.db2.gz YWJXCIXBAKGUKZ-QVVSMJLESA-N 0 0 328.273 -1.201 1 0 biogenic,in-vitro EAAFRN CC(=O)N[C@H]1[C@H](NC(N)=[NH2+])C=C(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO ZINC000003831613 581098734 /nfs/dbraw/zinc/09/87/34/581098734.db2.gz ARAIBEBZBOPLMB-NLULIJGNSA-N 0 0 332.313 -3.576 1 0 EAAFRN CN1CCC[C@H]1c1ccc[n+]([C@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)c1 ZINC000003869570 210080634 /nfs/dbraw/zinc/08/06/34/210080634.db2.gz SAWAIULJDYFLPD-QAIIKZMUSA-O 0 0 339.368 -1.195 1 0 biogenic,in-vitro EAAFRN CC(=O)N[C@H]1[C@H]([C@H](F)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+] ZINC000003985630 210096757 /nfs/dbraw/zinc/09/67/57/210096757.db2.gz VHOMTPJJYVCVRM-LUTUWXHWSA-N 0 0 334.304 -2.599 1 0 EAAFRN C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(COC3=O)[C@@](C)(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3 ZINC000004097990 297291191 /nfs/dbraw/zinc/29/11/91/297291191.db2.gz GEVWHIDSUOMVRI-QWNPAUMXSA-N 0 0 328.317 -1.911 1 0 biogenic,in-vitro EAAFRN CC(C)(C)C(=O)OC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@@H](O)[C@H]1O ZINC000004196342 210144192 /nfs/dbraw/zinc/14/41/92/210144192.db2.gz VORXIVUCGWLOIX-OFHVYEONSA-N 0 0 328.325 -1.415 1 0 EAAFRN CC(C)(C)C(=O)OC[C@@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@@H](O)[C@H]1O ZINC000004196343 210144225 /nfs/dbraw/zinc/14/42/25/210144225.db2.gz VORXIVUCGWLOIX-CIOUSYIGSA-N 0 0 328.325 -1.415 1 0 EAAFRN COc1c(O)cc2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1OC2=O ZINC000004212121 286187107 /nfs/dbraw/zinc/18/71/07/286187107.db2.gz YWJXCIXBAKGUKZ-GUYICBEASA-N 0 0 328.273 -1.201 1 0 EAAFRN NS(=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000004216414 560197482 /nfs/dbraw/zinc/19/74/82/560197482.db2.gz RMCYKIOWPVOBJX-RMPHRYRLSA-N 0 0 334.350 -2.454 1 0 in-vitro EAAFRN CC(=O)N[C@@H]1[C@@H](NC(N)=[NH2+])C=C(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO ZINC000004217632 278150864 /nfs/dbraw/zinc/15/08/64/278150864.db2.gz ARAIBEBZBOPLMB-LUTUWXHWSA-N 0 0 332.313 -3.576 1 0 EAAFRN Cn1c(=O)n2n(c1=O)[C@@H]1C(=CC2)[C@@H]2C=C[C@H]1n1c(=O)n(C)c(=O)n12 ZINC000005848573 210547643 /nfs/dbraw/zinc/54/76/43/210547643.db2.gz UZVHXUHVJAZIBT-IVZWLZJFSA-N 0 0 330.304 -2.143 1 0 EAAFRN COC(=O)/C=C/C(=O)NC[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005962747 560203960 /nfs/dbraw/zinc/20/39/60/560203960.db2.gz WMRULULWXGOKDR-CFUOYWMPSA-N 0 0 329.353 -1.225 1 0 in-vitro EAAFRN COC(=O)/C=C/C(=O)NC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005962751 560203951 /nfs/dbraw/zinc/20/39/51/560203951.db2.gz WMRULULWXGOKDR-AWAZDUCLSA-N 0 0 329.353 -1.225 1 0 in-vitro EAAFRN C[C@]1(O)CC[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 ZINC000006032116 560204656 /nfs/dbraw/zinc/20/46/56/560204656.db2.gz BBBYCKMTZMMVAZ-RICUOZJWSA-N 0 0 332.349 -1.550 1 0 biogenic,in-vitro EAAFRN COC(=O)/C=C/C(=O)NC[C@H](NC(=O)[C@@H]([NH3+])CCSC)C(=O)[O-] ZINC000006482085 560205762 /nfs/dbraw/zinc/20/57/62/560205762.db2.gz HJYAHPUOQVTGHV-FBFNWGNUSA-N 0 0 347.393 -1.518 1 0 in-vitro EAAFRN COC(=O)/C=C/C(=O)NC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)C(=O)[O-] ZINC000006482132 560205686 /nfs/dbraw/zinc/20/56/86/560205686.db2.gz HJYAHPUOQVTGHV-DXMIZCBPSA-N 0 0 347.393 -1.518 1 0 in-vitro EAAFRN O=C(NC(=O)c1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000006578607 210656626 /nfs/dbraw/zinc/65/66/26/210656626.db2.gz JSBCZGSPFATCOV-BZNQNGANSA-N 0 0 326.305 -2.074 1 0 in-vivo EAAFRN O=c1ccc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)cc2o1 ZINC000008681624 304818064 /nfs/dbraw/zinc/81/80/64/304818064.db2.gz XHCADAYNFIFUHF-KLLKFSIISA-N 0 0 340.284 -1.323 1 0 endogenous,in-man EAAFRN COc1c(O)cc2c(c1O)[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OC2=O ZINC000009231495 211056777 /nfs/dbraw/zinc/05/67/77/211056777.db2.gz YWJXCIXBAKGUKZ-IEPFDPHESA-N 0 0 328.273 -1.201 1 0 EAAFRN CSc1nc2c(nc(N)n2[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000009703602 211116056 /nfs/dbraw/zinc/11/60/56/211116056.db2.gz GDRCBFJQUZIOSW-HFXAWCPLSA-N 0 0 329.338 -1.965 1 0 EAAFRN COc1c(O)cc2c(c1O)[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC2=O ZINC000011615943 211226914 /nfs/dbraw/zinc/22/69/14/211226914.db2.gz YWJXCIXBAKGUKZ-XJASRTAHSA-N 0 0 328.273 -1.201 1 0 EAAFRN O=c1ccc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)cc2o1 ZINC000011680919 211233173 /nfs/dbraw/zinc/23/31/73/211233173.db2.gz XHCADAYNFIFUHF-IKSZGEOFSA-N 0 0 340.284 -1.323 1 0 endogenous,in-man EAAFRN COc1nc2c(c(=O)n(C)c(=O)n2C)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000012405723 211370188 /nfs/dbraw/zinc/37/01/88/211370188.db2.gz BSVUMWYISNZPDL-IOSLPCCCSA-N 0 0 342.308 -2.946 1 0 EAAFRN CN1CCC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000012495031 571694453 /nfs/dbraw/zinc/69/44/53/571694453.db2.gz SAWAIULJDYFLPD-SOAFEQHCSA-O 0 0 339.368 -1.195 1 0 endogenous,world EAAFRN CCCN(C)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@@H](NC(N)=[NH2+])[C@@H]1NC(C)=O ZINC000012503710 211393577 /nfs/dbraw/zinc/39/35/77/211393577.db2.gz QPJWMZVTNXFTKV-DVVUODLYSA-N 0 0 341.368 -1.422 1 0 EAAFRN Cc1ccc(C2=NN[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)S2)cc1 ZINC000013151365 292090152 /nfs/dbraw/zinc/09/01/52/292090152.db2.gz DIXHZOQDZWHDET-CUOUOBHDSA-N 0 0 328.390 -1.245 1 0 EAAFRN Cc1ccc(C2=NN[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)S2)cc1 ZINC000013151366 211531472 /nfs/dbraw/zinc/53/14/72/211531472.db2.gz DIXHZOQDZWHDET-JNLQPACOSA-N 0 0 328.390 -1.245 1 0 EAAFRN CC(C)(C)C(=O)OC[C@H]1O[C@H](n2cnc(C(N)=O)n2)[C@@H](O)[C@@H]1O ZINC000013153136 211532119 /nfs/dbraw/zinc/53/21/19/211532119.db2.gz VORXIVUCGWLOIX-LEQIOUOKSA-N 0 0 328.325 -1.415 1 0 EAAFRN C[C@@H]1CC[C@H]([C@](C)(O)CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(=O)C1 ZINC000013334118 560214356 /nfs/dbraw/zinc/21/43/56/560214356.db2.gz IRZZAYRPVZPEKL-ONCMMPDLSA-N 0 0 348.392 -1.441 1 0 in-vitro EAAFRN C[C@H]1CC[C@H]([C@](C)(O)CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(=O)C1 ZINC000013334119 560214354 /nfs/dbraw/zinc/21/43/54/560214354.db2.gz IRZZAYRPVZPEKL-LQMXBODBSA-N 0 0 348.392 -1.441 1 0 in-vitro EAAFRN C[C@@H]1CC[C@@H]([C@](C)(O)CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(=O)C1 ZINC000013334120 560214392 /nfs/dbraw/zinc/21/43/92/560214392.db2.gz IRZZAYRPVZPEKL-GMRZXMOGSA-N 0 0 348.392 -1.441 1 0 in-vitro EAAFRN C[C@H]1CC[C@@H]([C@](C)(O)CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(=O)C1 ZINC000013334121 560214395 /nfs/dbraw/zinc/21/43/95/560214395.db2.gz IRZZAYRPVZPEKL-OKBDIMJXSA-N 0 0 348.392 -1.441 1 0 in-vitro EAAFRN [NH3+][C@@H](Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)oc1=O)C(=O)[O-] ZINC000013350928 574413154 /nfs/dbraw/zinc/41/31/54/574413154.db2.gz OURYTICKCZBKFC-HMELBQQSSA-N 0 0 334.281 -3.632 1 0 endogenous,in-man EAAFRN [NH3+][C@@H](Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)oc1=O)C(=O)[O-] ZINC000013350932 574413147 /nfs/dbraw/zinc/41/31/47/574413147.db2.gz OURYTICKCZBKFC-AZDAQJLHSA-N 0 0 334.281 -3.632 1 0 endogenous,in-man EAAFRN COc1cc(O)cc(OC)c1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013376084 571699108 /nfs/dbraw/zinc/69/91/08/571699108.db2.gz NOQYJICHFNSIFZ-ILOGHGLZSA-N 0 0 332.305 -1.412 1 0 endogenous,in-man EAAFRN COc1cc(O)cc(OC)c1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013376085 571699666 /nfs/dbraw/zinc/69/96/66/571699666.db2.gz NOQYJICHFNSIFZ-HXNLIRTISA-N 0 0 332.305 -1.412 1 0 endogenous,in-man EAAFRN CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1c(=O)[nH]c(N)nc2=O ZINC000013527277 211571305 /nfs/dbraw/zinc/57/13/05/211571305.db2.gz SGZJFJKNXMDXCE-TZQXKBMNSA-N 0 0 325.281 -2.672 1 0 EAAFRN O=c1ccc2cc(O)c(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2o1 ZINC000013549840 571703459 /nfs/dbraw/zinc/70/34/59/571703459.db2.gz WNBCMONIPIJTSB-WCDYYPSBSA-N 0 0 340.284 -1.323 1 0 endogenous,in-man EAAFRN O=c1ccc2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2o1 ZINC000013549842 571703574 /nfs/dbraw/zinc/70/35/74/571703574.db2.gz WNBCMONIPIJTSB-JSFFLRCESA-N 0 0 340.284 -1.323 1 0 endogenous,in-man EAAFRN O=c1ccc2cc(O)c(O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2o1 ZINC000013549844 571703785 /nfs/dbraw/zinc/70/37/85/571703785.db2.gz WNBCMONIPIJTSB-KLLKFSIISA-N 0 0 340.284 -1.323 1 0 endogenous,in-man EAAFRN O=c1ccc2cc(O)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2o1 ZINC000013549846 571704277 /nfs/dbraw/zinc/70/42/77/571704277.db2.gz WNBCMONIPIJTSB-IKSZGEOFSA-N 0 0 340.284 -1.323 1 0 endogenous,in-man EAAFRN CCCCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000013604513 560220009 /nfs/dbraw/zinc/22/00/09/560220009.db2.gz MIGNEXCHXYOFBR-AEISUSGSSA-N 0 0 336.352 -1.056 1 0 in-vitro EAAFRN CCN(CC)C(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000013604519 201902890 /nfs/dbraw/zinc/90/28/90/201902890.db2.gz KQSHPNINGXICIE-AEISUSGSSA-N 0 0 336.352 -1.104 1 0 EAAFRN NC(=O)[C@H]1CS[C@@H]2C[C@@H](N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N21 ZINC000013606452 211591893 /nfs/dbraw/zinc/59/18/93/211591893.db2.gz CKWXMNDKAZLYMW-YSSBGUOXSA-N 0 0 338.389 -1.653 1 0 EAAFRN CC(=O)N[C@H]1[C@H](C(=O)N2[C@H](C)CCN2C)OC(C(=O)[O-])=C[C@@H]1[NH3+] ZINC000013778801 581098682 /nfs/dbraw/zinc/09/86/82/581098682.db2.gz PMRIBROJBCQKRW-OAIFWDMCSA-N 0 0 326.353 -1.347 1 0 EAAFRN CC(=O)N[C@H]1[C@H](C(=O)N2[C@@H](C)CCN2C)OC(C(=O)[O-])=C[C@@H]1[NH3+] ZINC000013778802 581098616 /nfs/dbraw/zinc/09/86/16/581098616.db2.gz PMRIBROJBCQKRW-DFJQSBMWSA-N 0 0 326.353 -1.347 1 0 EAAFRN CC(C)(C)NC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000013796777 211640652 /nfs/dbraw/zinc/64/06/52/211640652.db2.gz KUXMPOBZULLNDF-QRIDJOKKSA-N 0 0 336.352 -1.058 1 0 EAAFRN Nc1nc(-c2cn[nH]c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000013818960 211645072 /nfs/dbraw/zinc/64/50/72/211645072.db2.gz SARCUIHUUGEKRL-HTVVRFAVSA-N 0 0 333.308 -1.590 1 0 EAAFRN COC[C@]1(O)[C@H]2C[C@]3([C@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000013837180 290943988 /nfs/dbraw/zinc/94/39/88/290943988.db2.gz LXPKORXZVZPYLY-IUNQKKBYSA-N 0 0 342.344 -1.256 1 0 biogenic,in-vitro EAAFRN [NH3+][C@H](Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)oc1=O)C(=O)[O-] ZINC000014419490 574413375 /nfs/dbraw/zinc/41/33/75/574413375.db2.gz OURYTICKCZBKFC-PIAOCPBHSA-N 0 0 334.281 -3.632 1 0 endogenous,in-man EAAFRN [NH3+][C@H](Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)oc1=O)C(=O)[O-] ZINC000014419492 574413366 /nfs/dbraw/zinc/41/33/66/574413366.db2.gz OURYTICKCZBKFC-BWTWBLBVSA-N 0 0 334.281 -3.632 1 0 endogenous,in-man EAAFRN O=C1Nc2ccccc2O[C@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014443629 571706326 /nfs/dbraw/zinc/70/63/26/571706326.db2.gz PYQSUTLVBSTCSK-QFILMLMFSA-N 0 0 327.289 -1.840 1 0 endogenous,in-man EAAFRN O=C1Nc2ccccc2O[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014443631 571706578 /nfs/dbraw/zinc/70/65/78/571706578.db2.gz PYQSUTLVBSTCSK-IJJRAJKASA-N 0 0 327.289 -1.840 1 0 endogenous,in-man EAAFRN O=C1Nc2ccccc2O[C@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014443633 571706619 /nfs/dbraw/zinc/70/66/19/571706619.db2.gz PYQSUTLVBSTCSK-JNDGTBPLSA-N 0 0 327.289 -1.840 1 0 endogenous,in-man EAAFRN O=C1Nc2ccccc2O[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014443635 571706527 /nfs/dbraw/zinc/70/65/27/571706527.db2.gz PYQSUTLVBSTCSK-XPHFHVISSA-N 0 0 327.289 -1.840 1 0 endogenous,in-man EAAFRN COc1ccc([C@@H](O)[C@@H](C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000014504473 207769979 /nfs/dbraw/zinc/76/99/79/207769979.db2.gz JYWSARFDLXXOHT-XMFXOJKTSA-N 0 0 344.360 -1.066 1 0 endogenous,in-man EAAFRN COc1ccc([C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)O)cc1 ZINC000014504500 207770345 /nfs/dbraw/zinc/77/03/45/207770345.db2.gz IBLFDTIZHJLTIF-ZNILQRPBSA-N 0 0 344.360 -1.066 1 0 endogenous,in-man EAAFRN COc1cc(O)c(C(C)=O)c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000014774777 571723373 /nfs/dbraw/zinc/72/33/73/571723373.db2.gz XERRGONJPVYTDB-INMIOYRUSA-N 0 0 344.316 -1.218 1 0 endogenous,in-man EAAFRN COc1cc(O)c(C(C)=O)c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000014774780 571723343 /nfs/dbraw/zinc/72/33/43/571723343.db2.gz XERRGONJPVYTDB-YADOHIMWSA-N 0 0 344.316 -1.218 1 0 endogenous,in-man EAAFRN COc1cc(O)c(C(C)=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000014774781 571723265 /nfs/dbraw/zinc/72/32/65/571723265.db2.gz XERRGONJPVYTDB-DVLUHMITSA-N 0 0 344.316 -1.218 1 0 endogenous,in-man EAAFRN COc1cc(O)c(C(C)=O)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000014774784 571723347 /nfs/dbraw/zinc/72/33/47/571723347.db2.gz XERRGONJPVYTDB-OLOXDWRXSA-N 0 0 344.316 -1.218 1 0 endogenous,in-man EAAFRN COC[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000014828120 571725536 /nfs/dbraw/zinc/72/55/36/571725536.db2.gz LXPKORXZVZPYLY-LECAYXHUSA-N 0 0 342.344 -1.256 1 0 endogenous,in-man EAAFRN COC[C@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000014828122 571725592 /nfs/dbraw/zinc/72/55/92/571725592.db2.gz LXPKORXZVZPYLY-KLLPBFJYSA-N 0 0 342.344 -1.256 1 0 endogenous,in-man EAAFRN COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014859046 571726634 /nfs/dbraw/zinc/72/66/34/571726634.db2.gz NOQYJICHFNSIFZ-SSKLVLDBSA-N 0 0 332.305 -1.412 1 0 endogenous,in-man EAAFRN COc1cc(O)cc(OC)c1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014859047 571726445 /nfs/dbraw/zinc/72/64/45/571726445.db2.gz NOQYJICHFNSIFZ-MPLKPFFPSA-N 0 0 332.305 -1.412 1 0 endogenous,in-man EAAFRN C[C@@]12C[C@@H](C[C@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@](C)(CO)C2=O ZINC000015058104 574413736 /nfs/dbraw/zinc/41/37/36/574413736.db2.gz QZAWDTYMSDWVFW-DYTKSBRASA-N 0 0 346.376 -1.831 1 0 endogenous,in-man EAAFRN C[C@@]1(CO)C(=O)[C@]2(C)C[C@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015058105 574413730 /nfs/dbraw/zinc/41/37/30/574413730.db2.gz QZAWDTYMSDWVFW-XIJXUJKISA-N 0 0 346.376 -1.831 1 0 endogenous,in-man EAAFRN C[C@]1(CO)C(=O)[C@@]2(CO[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CC[C@@H]1C2 ZINC000015058106 574413740 /nfs/dbraw/zinc/41/37/40/574413740.db2.gz VOSKDOKSPQKSPY-IANYJHLGSA-N 0 0 346.376 -1.829 1 0 endogenous,in-man EAAFRN C[C@@]1(CO)C(=O)[C@@]2(CO[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CC[C@@H]1C2 ZINC000015058107 574413739 /nfs/dbraw/zinc/41/37/39/574413739.db2.gz VOSKDOKSPQKSPY-CTZOFDMOSA-N 0 0 346.376 -1.829 1 0 endogenous,in-man EAAFRN CC1(C)[C@@H]2C[C@@](C)(C[C@@H]2O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015214903 571736631 /nfs/dbraw/zinc/73/66/31/571736631.db2.gz LDPSEQUXUZQNEM-KOVSVUIRSA-N 0 0 332.393 -1.012 1 0 endogenous,in-man EAAFRN CC1(C)[C@H]2C[C@](C)(C[C@@H]2O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015214904 571736550 /nfs/dbraw/zinc/73/65/50/571736550.db2.gz LDPSEQUXUZQNEM-KSOSSAHDSA-N 0 0 332.393 -1.012 1 0 endogenous,in-man EAAFRN CC1(C)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@]2(C)C[C@H]1C[C@H]2O ZINC000015214910 571736653 /nfs/dbraw/zinc/73/66/53/571736653.db2.gz ZXTOJNKDXKFQAG-CLCPXOESSA-N 0 0 332.393 -1.012 1 0 endogenous,in-man EAAFRN CC1(C)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@]2(C)C[C@H]1C[C@@H]2O ZINC000015214912 571736505 /nfs/dbraw/zinc/73/65/05/571736505.db2.gz ZXTOJNKDXKFQAG-YWHLJYKNSA-N 0 0 332.393 -1.012 1 0 endogenous,in-man EAAFRN O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1N1CCOCC1 ZINC000017353488 135712277 /nfs/dbraw/zinc/71/22/77/135712277.db2.gz WPLWAMWABWXDPR-SVDPJWKOSA-N 0 0 329.309 -3.015 1 0 EAAFRN NS(=O)(=O)c1ccccc1NC(=O)CNCC[NH2+]CC(=O)[O-] ZINC000022925358 202095372 /nfs/dbraw/zinc/09/53/72/202095372.db2.gz CFEYCFUMEMKVLP-UHFFFAOYSA-N 0 0 330.366 -1.464 1 0 EAAFRN NS(=O)(=O)c1cccc(NC(=O)CNCC[NH2+]CC(=O)[O-])c1 ZINC000022925361 212336003 /nfs/dbraw/zinc/33/60/03/212336003.db2.gz GBEZGLZYWJFSKX-UHFFFAOYSA-N 0 0 330.366 -1.464 1 0 EAAFRN NS(=O)(=O)c1ccc(NC(=O)CNCC[NH2+]CC(=O)[O-])cc1 ZINC000022925366 212336858 /nfs/dbraw/zinc/33/68/58/212336858.db2.gz NLPBFUXSJVMCFL-UHFFFAOYSA-N 0 0 330.366 -1.464 1 0 EAAFRN NS(=O)(=O)c1ccc(NC(=O)CNCC[NH2+]CC(=O)[O-])c(F)c1 ZINC000022925384 212335795 /nfs/dbraw/zinc/33/57/95/212335795.db2.gz WWRYNSHVMQBGQB-UHFFFAOYSA-N 0 0 348.356 -1.325 1 0 EAAFRN NS(=O)(=O)c1nnc(NC(=O)CNCC[NH2+]CC(=O)[O-])s1 ZINC000022925410 202095380 /nfs/dbraw/zinc/09/53/80/202095380.db2.gz CGYXAXAPDQBHTE-UHFFFAOYSA-N 0 0 338.371 -2.612 1 0 EAAFRN O=c1[nH]c(=O)n([C@@H]2S[C@@H](CO)[C@@H](O)[C@@H]2O)cc1Br ZINC000025998280 202137818 /nfs/dbraw/zinc/13/78/18/202137818.db2.gz LCGBVGRARBTABI-SKHQTKALSA-N 0 0 339.167 -1.373 1 0 EAAFRN CSc1c(C(N)=O)c2c(nc(N)[nH]c2=O)n1C[C@H](O)CCO ZINC000026275251 212513264 /nfs/dbraw/zinc/51/32/64/212513264.db2.gz GOMZOYDPIFBHKL-RXMQYKEDSA-N 0 0 327.366 -1.129 1 0 EAAFRN CC(=O)N[C@H]1[C@H]([C@H](O)[C@@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+] ZINC000026284236 581098671 /nfs/dbraw/zinc/09/86/71/581098671.db2.gz ARAIBEBZBOPLMB-CUZACWQJSA-N 0 0 332.313 -3.576 1 0 EAAFRN COC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 ZINC000026570909 202145529 /nfs/dbraw/zinc/14/55/29/202145529.db2.gz QZZSLQHZZRSQCE-GXSJLCMTSA-N 0 0 333.318 -1.412 1 0 EAAFRN CO[C@H]1C(=O)N2C(C(=O)N(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12 ZINC000026571584 212526593 /nfs/dbraw/zinc/52/65/93/212526593.db2.gz WZVPEXCIKDTPAS-GXFFZTMASA-N 0 0 346.361 -1.497 1 0 EAAFRN C[C@@H]([NH3+])CN[C@H](C(=O)[O-])[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O ZINC000026721680 202147897 /nfs/dbraw/zinc/14/78/97/202147897.db2.gz IBIDEMAXBPPVTO-OHBOGGSBSA-N 0 0 344.324 -3.454 1 0 EAAFRN CSC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c[nH]c(=O)[nH]c1=O ZINC000026992207 202151055 /nfs/dbraw/zinc/15/10/55/202151055.db2.gz LMQZEINUKSENQU-SSHYYGKISA-N 0 0 347.418 -1.377 1 0 EAAFRN CNc1ncnc2c1c(C(N)=O)cn2[C@@H]1S[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000027097491 202151191 /nfs/dbraw/zinc/15/11/91/202151191.db2.gz UXPIFUHEXLDIGC-VPFIQFBESA-N 0 0 339.377 -1.100 1 0 EAAFRN CNc1ncnc2c1c(C(N)=O)cn2[C@H]1S[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000027097499 202151465 /nfs/dbraw/zinc/15/14/65/202151465.db2.gz UXPIFUHEXLDIGC-DUWABBFASA-N 0 0 339.377 -1.100 1 0 EAAFRN CNc1ncnc2c1c(C(N)=O)cn2[C@H]1S[C@H](CO)[C@@H](O)[C@@H]1O ZINC000027097515 202151244 /nfs/dbraw/zinc/15/12/44/202151244.db2.gz UXPIFUHEXLDIGC-WRNXMPKJSA-N 0 0 339.377 -1.100 1 0 EAAFRN COC(=O)[C@@]1(OC)C[C@@H](O)[C@@H](NC(C)=O)[C@@H]([C@@H](O)[C@H](O)CO)O1 ZINC000027099863 202151323 /nfs/dbraw/zinc/15/13/23/202151323.db2.gz JKTJXQQVMKZKQA-OGEOFHSCSA-N 0 0 337.325 -3.129 1 0 EAAFRN COC(=O)[C@@]1(OC)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([C@@H](O)[C@H](O)CO)O1 ZINC000027099873 202151954 /nfs/dbraw/zinc/15/19/54/202151954.db2.gz JKTJXQQVMKZKQA-CLPFBOMOSA-N 0 0 337.325 -3.129 1 0 EAAFRN Nc1ncnc2c1nnn2[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1O ZINC000027321151 212553085 /nfs/dbraw/zinc/55/30/85/212553085.db2.gz BGMNMEGSCFNDSP-SJNFNFGESA-N 0 0 345.341 -2.694 1 0 EAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1O ZINC000027322723 212553677 /nfs/dbraw/zinc/55/36/77/212553677.db2.gz PVUGNNXOYFVXTR-HIORRCEOSA-N 0 0 344.353 -2.089 1 0 EAAFRN Nc1ncnc2c1ncn2[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1O ZINC000027322730 202154119 /nfs/dbraw/zinc/15/41/19/202154119.db2.gz PVUGNNXOYFVXTR-SQEXRHODSA-N 0 0 344.353 -2.089 1 0 EAAFRN CC(=O)N[C@@H]1[C@@H](NC(N)=[NH2+])C=C(C(=O)[O-])O[C@@H]1[C@@H](O)[C@H](O)CO ZINC000027705669 212573698 /nfs/dbraw/zinc/57/36/98/212573698.db2.gz ARAIBEBZBOPLMB-HLRIDNAKSA-N 0 0 332.313 -3.576 1 0 EAAFRN CC(=O)N[C@H]1[C@@H](NC(N)=[NH2+])C=C(C(=O)[O-])O[C@@H]1[C@@H](O)[C@H](O)CO ZINC000027705674 581098708 /nfs/dbraw/zinc/09/87/08/581098708.db2.gz ARAIBEBZBOPLMB-QQPZWCSRSA-N 0 0 332.313 -3.576 1 0 EAAFRN COC(=O)C(C)=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000028248201 202168217 /nfs/dbraw/zinc/16/82/17/202168217.db2.gz QMCHLNJEOAQNIU-JONPOOTQSA-N 0 0 326.305 -1.246 1 0 EAAFRN COC(=O)C=CC=Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000028254674 212611923 /nfs/dbraw/zinc/61/19/23/212611923.db2.gz DAPPNLBBNIOIPV-YLLJDCHWSA-N 0 0 338.316 -1.080 1 0 EAAFRN NC(=S)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nnnc(N)c12 ZINC000028475807 212620684 /nfs/dbraw/zinc/62/06/84/212620684.db2.gz BOEOOSFLWIIXHM-RPKMEZRRSA-N 0 0 326.338 -2.346 1 0 EAAFRN CC(=O)N[C@@H]1[C@H]([C@H](O)[C@@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+] ZINC000028476599 581098677 /nfs/dbraw/zinc/09/86/77/581098677.db2.gz ARAIBEBZBOPLMB-BZQIZSTOSA-N 0 0 332.313 -3.576 1 0 EAAFRN [NH3+][C@@H](Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)[O-] ZINC000028642631 212629218 /nfs/dbraw/zinc/62/92/18/212629218.db2.gz JZAFZYMRELRTKL-MYMCGMNMSA-N 0 0 343.332 -2.180 1 0 EAAFRN O=c1[nH]c(=O)n([C@@H]2S[C@@H](O)[C@@H](O)[C@@H]2O)cc1Br ZINC000028762669 202176635 /nfs/dbraw/zinc/17/66/35/202176635.db2.gz UZDGZQBLWWNATN-VEVTUDRCSA-N 0 0 325.140 -1.415 1 0 EAAFRN O=c1[nH]c(=O)n([C@H]2S[C@@H](O)[C@@H](O)[C@@H]2O)cc1Br ZINC000028762673 202176747 /nfs/dbraw/zinc/17/67/47/202176747.db2.gz UZDGZQBLWWNATN-SUAKCOOASA-N 0 0 325.140 -1.415 1 0 EAAFRN O=c1[nH]c(=O)n([C@H]2S[C@H](O)[C@@H](O)[C@@H]2O)cc1Br ZINC000028762674 212635610 /nfs/dbraw/zinc/63/56/10/212635610.db2.gz UZDGZQBLWWNATN-KNOQVVGMSA-N 0 0 325.140 -1.415 1 0 EAAFRN O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1C=CBr ZINC000028763025 202177147 /nfs/dbraw/zinc/17/71/47/202177147.db2.gz GCQYYIHYQMVWLT-YNYOGKQOSA-N 0 0 349.137 -1.486 1 0 EAAFRN CC(=O)N(C)Cc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000029057072 212649804 /nfs/dbraw/zinc/64/98/04/212649804.db2.gz LLRVJEZGGQWPJE-XIDUGBJDSA-N 0 0 337.336 -1.584 1 0 EAAFRN C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)NCC(=O)C(F)(F)F ZINC000029123351 212652513 /nfs/dbraw/zinc/65/25/13/212652513.db2.gz MKTNGEKTIQHTIL-WDSKDSINSA-N 0 0 327.259 -1.069 1 0 EAAFRN NC(=O)[C@H]1O[C@H](Sc2ncnc3[nH]cnc32)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029310405 202184321 /nfs/dbraw/zinc/18/43/21/202184321.db2.gz UXPQSTNGTAGTKO-MOFRDQBGSA-N 0 0 327.322 -2.262 1 0 EAAFRN Nc1nc(N)c2cc(S(=O)(=O)N(CCO)CCO)ccc2n1 ZINC000029462012 202187122 /nfs/dbraw/zinc/18/71/22/202187122.db2.gz ZPAQAMKXFJMZOY-UHFFFAOYSA-N 0 0 327.366 -1.231 1 0 EAAFRN CCCC[C@H]([NH3+])C(=O)N[C@H](CNC(=O)/C=C/C(=O)OC)C(=O)[O-] ZINC000029462683 202186323 /nfs/dbraw/zinc/18/63/23/202186323.db2.gz VKNXXYAESCEOIS-LOSXEJPUSA-N 0 0 329.353 -1.081 1 0 EAAFRN CS(=O)(=O)c1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000029486961 202187916 /nfs/dbraw/zinc/18/79/16/202187916.db2.gz YGJMOPRJMKAWNY-RRKCRQDMSA-N 0 0 329.338 -1.547 1 0 EAAFRN COc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000031829733 212750148 /nfs/dbraw/zinc/75/01/48/212750148.db2.gz RFZBOQBHSLUDOM-PERBPWGJSA-N 0 0 327.297 -2.668 1 0 EAAFRN CSc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000031829740 202210933 /nfs/dbraw/zinc/21/09/33/202210933.db2.gz HCNZUFTYFCPWCS-PERBPWGJSA-N 0 0 343.365 -1.954 1 0 EAAFRN O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1-c1cccs1 ZINC000032138150 202222665 /nfs/dbraw/zinc/22/26/65/202222665.db2.gz DCIPFACYLTURBG-ZIYJGFGOSA-N 0 0 326.330 -1.123 1 0 EAAFRN O=C1Nc2cc(O)ccc2O[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000032302230 560089215 /nfs/dbraw/zinc/08/92/15/560089215.db2.gz UPXZXCWEGZCJJW-PUOUXSMHSA-N 0 0 343.288 -2.134 1 0 biogenic,in-vitro EAAFRN COc1cc(O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034255912 290944459 /nfs/dbraw/zinc/94/44/59/290944459.db2.gz NOQYJICHFNSIFZ-DIACKHNESA-N 0 0 332.305 -1.412 1 0 biogenic,in-vitro EAAFRN C[C@@H]1C(=O)C[C@]2(O)[C@]3(C)COC(=O)[C@]3(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3 ZINC000034319683 560087417 /nfs/dbraw/zinc/08/74/17/560087417.db2.gz KXJGMBLSSWASGG-OSOBPMNZSA-N 0 0 326.301 -1.703 1 0 biogenic,in-vitro EAAFRN Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CC(N)=O)O[C@H]32)c(=O)[nH]c1=O ZINC000035080093 213006271 /nfs/dbraw/zinc/00/62/71/213006271.db2.gz NPISSCOQBYZDHN-SWRBICTNSA-N 0 0 327.293 -2.280 1 0 EAAFRN CC(C)CC(=O)OC[C@H]1O[C@@H](OC(CO)CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000035086677 213007921 /nfs/dbraw/zinc/00/79/21/213007921.db2.gz CPRVBHBRBVVLHL-FYGCWZCISA-N 0 0 338.353 -2.247 1 0 EAAFRN CC1(C)[C@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1(C)C[C@H]2O ZINC000035899807 560086736 /nfs/dbraw/zinc/08/67/36/560086736.db2.gz AOHQEWBMTRLCSX-YUCDAHLNSA-N 0 0 332.393 -1.012 1 0 biogenic,in-vitro EAAFRN NC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000036519727 213099825 /nfs/dbraw/zinc/09/98/25/213099825.db2.gz SYZZMPFLOLSMHL-CIUDSAMLSA-N 0 0 330.341 -2.868 1 0 EAAFRN COc1c(O)cc2c(c1O)[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1OC2=O ZINC000037250143 213136507 /nfs/dbraw/zinc/13/65/07/213136507.db2.gz YWJXCIXBAKGUKZ-WMOOAZOSSA-N 0 0 328.273 -1.201 1 0 biogenic,in-vitro EAAFRN CC(=O)OC[C@H]1O[C@@H](Oc2c(C)occc2=O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000038230070 290943464 /nfs/dbraw/zinc/94/34/64/290943464.db2.gz RWNMKVWJIWFKJP-DIACKHNESA-N 0 0 330.289 -1.302 1 0 biogenic,in-vitro EAAFRN C[C@]12CC[C@H](C[C@@H]1O)[C@]2(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038275347 290945690 /nfs/dbraw/zinc/94/56/90/290945690.db2.gz GMFYAZXWJRYMFV-RXJURZSLSA-N 0 0 332.393 -1.010 1 0 biogenic,in-vitro EAAFRN C[C@@]1(CO)[C@@H]2C[C@H]1[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2 ZINC000038321848 560086237 /nfs/dbraw/zinc/08/62/37/560086237.db2.gz KFYADNBPQFWEKA-CJVOKWGESA-N 0 0 332.393 -1.152 1 0 biogenic,in-vitro EAAFRN C[C@@]1(CO)[C@@H]2C[C@H]1C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=CC2 ZINC000038321850 560086232 /nfs/dbraw/zinc/08/62/32/560086232.db2.gz SSRXGXOXRAXVKS-CUZWCKFLSA-N 0 0 330.377 -1.232 1 0 biogenic,in-vitro EAAFRN CS(=O)(=O)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000038422227 213208750 /nfs/dbraw/zinc/20/87/50/213208750.db2.gz LXAXAXRBPRAGFV-KQYNXXCUSA-N 0 0 345.337 -2.577 1 0 EAAFRN COc1ccc([C@@H](O)[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000038962292 290944454 /nfs/dbraw/zinc/94/44/54/290944454.db2.gz JYWSARFDLXXOHT-IBAHWZRKSA-N 0 0 344.360 -1.066 1 0 biogenic,in-vitro EAAFRN CC(C)C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O ZINC000039595184 213240393 /nfs/dbraw/zinc/24/03/93/213240393.db2.gz BKQGGEUIMTUQJD-DCAQKATOSA-N 0 0 339.396 -1.325 1 0 EAAFRN CC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1 ZINC000040428711 213302914 /nfs/dbraw/zinc/30/29/14/213302914.db2.gz AQPIQLNFRSQWEE-FVQWSSJJSA-N 0 0 332.378 -1.205 1 0 EAAFRN CNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NC)[C@H](O)[C@@H]1NC(C)=O ZINC000040556745 213351225 /nfs/dbraw/zinc/35/12/25/213351225.db2.gz MTZPFZPILJRXFE-GQYFUAMRSA-N 0 0 349.351 -1.623 1 0 EAAFRN CCOC(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO ZINC000040873066 213396535 /nfs/dbraw/zinc/39/65/35/213396535.db2.gz NIQVYAZIWITMQL-NSHDSACASA-N 0 0 333.385 -1.266 1 0 EAAFRN O=c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occc(O)c1-2 ZINC000040974170 560078763 /nfs/dbraw/zinc/07/87/63/560078763.db2.gz IMVRWUJCOBUHCO-TVKJYDDYSA-N 0 0 340.284 -1.323 1 0 biogenic,in-vitro EAAFRN NC(=O)c1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 ZINC000048995332 213975811 /nfs/dbraw/zinc/97/58/11/213975811.db2.gz SVAQSCUUEJNLIZ-OATGZTGMSA-N 0 0 326.269 -3.588 1 0 EAAFRN Nc1nc(Br)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000049015871 213975987 /nfs/dbraw/zinc/97/59/87/213975987.db2.gz PGHYIISMDPKFKH-BDXYJKHTSA-N 0 0 346.141 -1.218 1 0 EAAFRN CC[C@@H](C)NC(=O)[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000049017582 213976135 /nfs/dbraw/zinc/97/61/35/213976135.db2.gz GFTOWFOBXYNWNR-FCYOTRQZSA-N 0 0 336.352 -1.058 1 0 EAAFRN Nc1nc2c(sc(=S)n2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000049018116 213976086 /nfs/dbraw/zinc/97/60/86/213976086.db2.gz YYCCZEMOOBGSEF-ZZGSYZFTSA-N 0 0 332.363 -1.291 1 0 EAAFRN Nc1ncnc2c(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nc(Cl)nc12 ZINC000049018311 213977306 /nfs/dbraw/zinc/97/73/06/213977306.db2.gz YSHISTVXCVBNHO-KAFVXXCXSA-N 0 0 328.716 -1.494 1 0 EAAFRN C[S@@](=O)c1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000049021685 202614521 /nfs/dbraw/zinc/61/45/21/202614521.db2.gz ZJBBTVCVNLYVJY-AYRRWECWSA-N 0 0 329.338 -2.243 1 0 EAAFRN C[S@](=O)c1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000049021688 202614570 /nfs/dbraw/zinc/61/45/70/202614570.db2.gz ZJBBTVCVNLYVJY-ARQYFARZSA-N 0 0 329.338 -2.243 1 0 EAAFRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N(C)C)[C@H](O)[C@@H]1O ZINC000049049054 213981567 /nfs/dbraw/zinc/98/15/67/213981567.db2.gz VGKJEHDAXDUCQI-AEISUSGSSA-N 0 0 336.352 -1.352 1 0 EAAFRN Nc1nc2c(ccn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(S(N)(=O)=O)n1 ZINC000049066455 213983140 /nfs/dbraw/zinc/98/31/40/213983140.db2.gz JMLNVEABCCYUEO-IBNKKVAHSA-N 0 0 345.337 -2.728 1 0 EAAFRN Nc1nc2c(ccn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(S(N)(=O)=O)n1 ZINC000049066457 213982977 /nfs/dbraw/zinc/98/29/77/213982977.db2.gz JMLNVEABCCYUEO-DAGMQNCNSA-N 0 0 345.337 -2.728 1 0 EAAFRN CN(C)c1nc(=O)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 ZINC000049089177 213986789 /nfs/dbraw/zinc/98/67/89/213986789.db2.gz ARDBHHLYICFOJJ-SZAAMWCJSA-N 0 0 339.308 -2.843 1 0 EAAFRN C[C@H](O)[C@H]1O[C@H](n2cc(C(=N)NO)c3c2nc[nH]c3=O)[C@H](O)[C@@H]1O ZINC000049089394 213986465 /nfs/dbraw/zinc/98/64/65/213986465.db2.gz XJNAQVSIXGDZIJ-YSPKSDBFSA-N 0 0 339.308 -1.971 1 0 EAAFRN NC1=NCN=C2[C@@H]1N=CN2[C@H]1O[C@H](CSC(F)F)[C@@H](O)[C@H]1O ZINC000049771455 214032100 /nfs/dbraw/zinc/03/21/00/214032100.db2.gz SCXVKKARILTOAK-NVABTJCQSA-N 0 0 335.336 -1.172 1 0 EAAFRN NC1=NCN=C2[C@H]1N=CN2[C@H]1O[C@H](CSC(F)F)[C@@H](O)[C@H]1O ZINC000049771456 214031980 /nfs/dbraw/zinc/03/19/80/214031980.db2.gz SCXVKKARILTOAK-YRVBIBJRSA-N 0 0 335.336 -1.172 1 0 EAAFRN NC1=NCN=C2[C@@H]1N=CN2[C@@H]1O[C@H](CSC(F)F)[C@@H](O)[C@H]1O ZINC000049771457 214031874 /nfs/dbraw/zinc/03/18/74/214031874.db2.gz SCXVKKARILTOAK-WPOWEPHSSA-N 0 0 335.336 -1.172 1 0 EAAFRN NC1=NCN=C2[C@H]1N=CN2[C@@H]1O[C@H](CSC(F)F)[C@@H](O)[C@H]1O ZINC000049771458 214031398 /nfs/dbraw/zinc/03/13/98/214031398.db2.gz SCXVKKARILTOAK-BRJQOHQLSA-N 0 0 335.336 -1.172 1 0 EAAFRN CS(=O)(=O)c1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000049785550 214032528 /nfs/dbraw/zinc/03/25/28/214032528.db2.gz LXAXAXRBPRAGFV-CRKDRTNXSA-N 0 0 345.337 -2.577 1 0 EAAFRN CCN(CC)C(=O)[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000049785673 214033076 /nfs/dbraw/zinc/03/30/76/214033076.db2.gz KQSHPNINGXICIE-JIXVBMEVSA-N 0 0 336.352 -1.104 1 0 EAAFRN C[C@]1(CO)O[C@@H](n2c3nc(N)[nH]c(=O)c3sc2=O)[C@H](O)[C@@H]1O ZINC000049792642 214032576 /nfs/dbraw/zinc/03/25/76/214032576.db2.gz FKQVKBBOICZYHQ-FJMOORSJSA-N 0 0 330.322 -2.270 1 0 EAAFRN C[C@]1(CO)O[C@H](n2c3nc(N)[nH]c(=O)c3sc2=O)[C@H](O)[C@@H]1O ZINC000049792643 214032865 /nfs/dbraw/zinc/03/28/65/214032865.db2.gz FKQVKBBOICZYHQ-MFZWQMPWSA-N 0 0 330.322 -2.270 1 0 EAAFRN NC1=NCN=C2[C@H]1N=CN2[C@@H]1O[C@H](CSCC(F)F)[C@@H](O)[C@H]1O ZINC000049793059 214033256 /nfs/dbraw/zinc/03/32/56/214033256.db2.gz OSKZSNDXDGUSMR-SNWGBXRCSA-N 0 0 349.363 -1.129 1 0 EAAFRN CCCCNC(=O)[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000049793239 214032951 /nfs/dbraw/zinc/03/29/51/214032951.db2.gz MIGNEXCHXYOFBR-JIXVBMEVSA-N 0 0 336.352 -1.056 1 0 EAAFRN CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NCCC[NH3+] ZINC000049802346 214032475 /nfs/dbraw/zinc/03/24/75/214032475.db2.gz QGCOTIJSSPCRFA-IINAIABHSA-N 0 0 347.368 -3.121 1 0 EAAFRN CC(C)=CCn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=N ZINC000049918284 214035415 /nfs/dbraw/zinc/03/54/15/214035415.db2.gz KUJACWMYNCANBD-ADGXKJENSA-O 0 0 336.372 -1.121 1 0 EAAFRN CCCc1cn([C@@H]2O[C@@H]3CO[PH](O)(O)O[C@H]3[C@H]2O)c(=O)nc1N ZINC000058547897 214594352 /nfs/dbraw/zinc/59/43/52/214594352.db2.gz IAOUQZLYTYPAGC-TURQNECASA-N 0 0 349.280 -1.154 1 0 EAAFRN O=C1Nc2ccccc2O[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000059203855 574415325 /nfs/dbraw/zinc/41/53/25/574415325.db2.gz PYQSUTLVBSTCSK-UJSNTIJXSA-N 0 0 327.289 -1.840 1 0 endogenous,in-man EAAFRN CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SC(=S)N(C)C ZINC000066079874 215008295 /nfs/dbraw/zinc/00/82/95/215008295.db2.gz DYIATSLFINPTQK-QVDPWDGTSA-N 0 0 338.451 -1.100 1 0 EAAFRN Nc1ccc2c(c1)C(=O)N1C[C@@]3(C[C@H]1C(=O)N2)O[C@@H](CO)[C@H](O)[C@H]3O ZINC000066102853 215011581 /nfs/dbraw/zinc/01/15/81/215011581.db2.gz RGFMNNGWDPJWSH-VGBQHSPPSA-N 0 0 349.343 -1.713 1 0 EAAFRN Nc1ccc2c(c1)C(=O)N1C[C@]3(C[C@@H]1C(=O)N2)O[C@H](CO)[C@@H](O)[C@@H]3O ZINC000066128407 215015119 /nfs/dbraw/zinc/01/51/19/215015119.db2.gz RGFMNNGWDPJWSH-MXOJCPGVSA-N 0 0 349.343 -1.713 1 0 EAAFRN O=C1Nc2ccccc2C(=O)N2C[C@@]3(C[C@@H]12)O[C@@H](CO)[C@H](O)[C@H]3O ZINC000066128575 215015723 /nfs/dbraw/zinc/01/57/23/215015723.db2.gz AGSCPLGJMKMYPA-VGBQHSPPSA-N 0 0 334.328 -1.295 1 0 EAAFRN CN1c2ccccc2C(=O)N2C[C@@]3(C[C@H]2C1=O)O[C@@H](CO)[C@H](O)[C@H]3O ZINC000066128743 202880851 /nfs/dbraw/zinc/88/08/51/202880851.db2.gz NKUPLCFYVJJQSJ-CKENWRIRSA-N 0 0 348.355 -1.271 1 0 EAAFRN O=C1Nc2ccccc2C(=O)N2C[C@]3(C[C@H]12)O[C@H](CO)[C@@H](O)[C@@H]3O ZINC000066156618 215018603 /nfs/dbraw/zinc/01/86/03/215018603.db2.gz AGSCPLGJMKMYPA-MXOJCPGVSA-N 0 0 334.328 -1.295 1 0 EAAFRN C[C@@H]1[C@@H](O)[C@@H](O)[C@]2(O)[C@]3(COC3=O)[C@@](C)(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3 ZINC000070455176 560047581 /nfs/dbraw/zinc/04/75/81/560047581.db2.gz UVYUXRVHTAFBAR-WREXFIEUSA-N 0 0 344.316 -2.940 1 0 biogenic,in-vitro EAAFRN CC1(C)[C@H]2C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1(C)[C@@H](O)C2 ZINC000070455195 290943454 /nfs/dbraw/zinc/94/34/54/290943454.db2.gz OSLKFRYNCINSDO-NRNVMAPKSA-N 0 0 332.393 -1.012 1 0 biogenic,in-vitro EAAFRN C[C@@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 ZINC000070455197 560047550 /nfs/dbraw/zinc/04/75/50/560047550.db2.gz GMFYAZXWJRYMFV-ZLWUJRRSSA-N 0 0 332.393 -1.010 1 0 biogenic,in-vitro EAAFRN CC1(C)[C@H]2C[C@@H](O)[C@]1(C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2 ZINC000070455198 560047587 /nfs/dbraw/zinc/04/75/87/560047587.db2.gz OSLKFRYNCINSDO-ISZGOSDOSA-N 0 0 332.393 -1.012 1 0 biogenic,in-vitro EAAFRN CCOc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1CO ZINC000070455449 560047175 /nfs/dbraw/zinc/04/71/75/560047175.db2.gz OEAIQGSSOVBFHS-UXXRCYHCSA-N 0 0 330.333 -1.244 1 0 biogenic,in-vitro EAAFRN CON(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@](C)(O)[C@H]1O ZINC000071329785 215762511 /nfs/dbraw/zinc/76/25/11/215762511.db2.gz AINILTJYLRNVER-SEBFSPHVSA-N 0 0 325.325 -1.175 1 0 EAAFRN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCc1cccc(O)c1 ZINC000072112985 216011367 /nfs/dbraw/zinc/01/13/67/216011367.db2.gz MKHNSQGMCLUMNY-KJWHEZOQSA-N 0 0 327.333 -1.148 1 0 EAAFRN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCc1ccc(O)cc1 ZINC000072113318 216011554 /nfs/dbraw/zinc/01/15/54/216011554.db2.gz RMJDZBZHPNQERR-KJWHEZOQSA-N 0 0 327.333 -1.148 1 0 EAAFRN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCc1ccc(O)cc1 ZINC000072114176 216011204 /nfs/dbraw/zinc/01/12/04/216011204.db2.gz MGWKDXFWOJHSEJ-OXGONZEZSA-N 0 0 341.360 -1.105 1 0 EAAFRN CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O ZINC000072124623 203164631 /nfs/dbraw/zinc/16/46/31/203164631.db2.gz RDBMPIXNGFXEQI-VHQAPHLWSA-N 0 0 325.325 -1.191 1 0 EAAFRN CC(=O)OCC(O)(COC(C)=O)Cc1c(C)c(=O)[nH]c(=O)n1C ZINC000072127813 203164853 /nfs/dbraw/zinc/16/48/53/203164853.db2.gz DJDXPYYVVMBJCJ-UHFFFAOYSA-N 0 0 328.321 -1.218 1 0 EAAFRN C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000072141361 216027812 /nfs/dbraw/zinc/02/78/12/216027812.db2.gz JKAICUSYGPDIQN-XRBOHMRVSA-N 0 0 332.357 -2.707 1 0 EAAFRN O=C1N[C@@H]2[C@@H](c3cc4c(c(O)c31)OCO4)[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O ZINC000072176094 216065165 /nfs/dbraw/zinc/06/51/65/216065165.db2.gz NNHFFTNOMJEBKY-VUIPHVFMSA-N 0 0 339.300 -1.979 1 0 EAAFRN C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(-n1ccnn1)nc2N ZINC000073140855 203257700 /nfs/dbraw/zinc/25/77/00/203257700.db2.gz RKCTUDMHEOWPDS-VHQAPHLWSA-N 0 0 348.323 -2.009 1 0 EAAFRN O=C1c2cc3c(cc2[C@H]2[C@@H]4N1CC[C@]4(O)[C@@H](O)[C@H](O)[C@H]2O)OCO3 ZINC000073169474 216359118 /nfs/dbraw/zinc/35/91/18/216359118.db2.gz BZULFTJIKJBHKT-STTCQZRRSA-N 0 0 335.312 -1.446 1 0 EAAFRN Cc1nc2c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@@]4(C)O)c3nc(N)n2n1 ZINC000073169625 216360168 /nfs/dbraw/zinc/36/01/68/216360168.db2.gz YWYCYAQSIHEQIJ-VHQAPHLWSA-N 0 0 335.324 -1.634 1 0 EAAFRN NC(=S)c1ncn([C@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n1 ZINC000084466182 217607236 /nfs/dbraw/zinc/60/72/36/217607236.db2.gz PGHJZJNBFSOFNB-DJSMDIAISA-N 0 0 339.355 -3.248 1 0 EAAFRN CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000084707617 217633900 /nfs/dbraw/zinc/63/39/00/217633900.db2.gz ZGOPNZJAYNJMEI-QWRGUYRKSA-N 0 0 342.396 -1.332 1 0 EAAFRN CC(=O)N[C@@H]1[C@@H](NC(N)=[NH2+])C=C(C(=O)[O-])O[C@@]1(C)[C@H](O)[C@H](O)CO ZINC000084711990 203536628 /nfs/dbraw/zinc/53/66/28/203536628.db2.gz SKZAQNLMTKQGAE-WFMPWKQPSA-N 0 0 346.340 -3.186 1 0 EAAFRN CC1(C)[C@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(O)(O)[C@H]3O)[C@]1(C)CC2=O ZINC000085487012 560076183 /nfs/dbraw/zinc/07/61/83/560076183.db2.gz GZAZHVQZRFCUGW-QJSWSAFUSA-N 0 0 346.376 -1.483 1 0 biogenic,in-vitro EAAFRN COc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O ZINC000085510737 290944451 /nfs/dbraw/zinc/94/44/51/290944451.db2.gz SWHCKWOYUSDWOF-LPUQOGTASA-N 0 0 332.305 -1.412 1 0 biogenic,in-vitro EAAFRN O=C1C[C@H]2[C@H](C=C(CO)[C@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1 ZINC000085531438 290946808 /nfs/dbraw/zinc/94/68/08/290946808.db2.gz LLTBEOWDOXBOEW-RUPXLAEPSA-N 0 0 346.332 -2.717 1 0 biogenic,in-vitro EAAFRN [NH2+]=C1N[C@@H]2[C@H]3[C@@H](O)[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@]34[C@@H](C(=O)[O-])O[C@@]24N1 ZINC000085540969 560071641 /nfs/dbraw/zinc/07/16/41/560071641.db2.gz CFAHVSCLJMZFOO-WLBGFBSGSA-N 0 0 331.281 -4.902 1 0 biogenic,in-vitro EAAFRN C[C@@H]1CC[C@H]2[C@H]1C(=O)OC[C@H]2CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000085541618 290944532 /nfs/dbraw/zinc/94/45/32/290944532.db2.gz PLSSBWGEYMENGJ-RTYSGLBUSA-N 0 0 346.376 -1.362 1 0 biogenic,in-vitro EAAFRN O=C(Oc1c(CO)[nH]c2ccccc21)[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O ZINC000085569281 290946825 /nfs/dbraw/zinc/94/68/25/290946825.db2.gz GKDXSYOQSIYVSF-ZGFBFQLVSA-N 0 0 338.292 -1.847 1 0 biogenic,in-vitro EAAFRN OCCc1c[nH]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12 ZINC000085589798 571785257 /nfs/dbraw/zinc/78/52/57/571785257.db2.gz MYNVMBICAGQOMG-LJIZCISZSA-N 0 0 339.344 -1.119 1 0 endogenous,in-man EAAFRN [NH3+][C@@H](CC[S@](=O)CC[S@@](=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000095557541 218436389 /nfs/dbraw/zinc/43/63/89/218436389.db2.gz OTJAQPRDMUAFMI-XPOPTCRYSA-N 0 0 328.412 -1.912 1 0 EAAFRN [NH3+][C@@H](CC[S@@](=O)CC[S@](=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000095557542 218436075 /nfs/dbraw/zinc/43/60/75/218436075.db2.gz OTJAQPRDMUAFMI-AQFWOPPOSA-N 0 0 328.412 -1.912 1 0 EAAFRN C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(C)COC(=O)[C@]3(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3 ZINC000095753722 560062120 /nfs/dbraw/zinc/06/21/20/560062120.db2.gz VXDVFPLMCHUTNP-KXGILDKWSA-N 0 0 328.317 -1.911 1 0 biogenic,in-vitro EAAFRN CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095884355 685199717 /nfs/dbraw/zinc/19/97/17/685199717.db2.gz IERQJNGBILWLCY-RMEBNNNOSA-N 0 0 328.317 -1.072 1 0 EAAFRN CC1(C)[C@@H]2C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)C[C@@H]2O ZINC000095909464 290943489 /nfs/dbraw/zinc/94/34/89/290943489.db2.gz AOHQEWBMTRLCSX-AJUWOTQKSA-N 0 0 332.393 -1.012 1 0 biogenic,in-vitro EAAFRN OCC1=CC[C@@H]2C=CO[C@@H](O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 ZINC000095909728 290947383 /nfs/dbraw/zinc/94/73/83/290947383.db2.gz PSNIWZSTNBIJOC-OKDQJEKWSA-N 0 0 328.361 -1.109 1 0 biogenic,in-vitro EAAFRN CC1(C)[C@@H]2C[C@H](O)[C@@]1(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2 ZINC000095909847 290943495 /nfs/dbraw/zinc/94/34/95/290943495.db2.gz OSLKFRYNCINSDO-XLKYPMBTSA-N 0 0 332.393 -1.012 1 0 biogenic,in-vitro EAAFRN C[C@H]1CC[C@@H]([C@@](C)(O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1=O ZINC000095910701 560058523 /nfs/dbraw/zinc/05/85/23/560058523.db2.gz GQERUNCJOQHUKZ-WAFOBLPXSA-N 0 0 348.392 -1.441 1 0 biogenic,in-vitro EAAFRN O=C1Nc2c(O)cccc2O[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095911710 560057984 /nfs/dbraw/zinc/05/79/84/560057984.db2.gz YPZCYJRATPTXDI-HXDZQNIASA-N 0 0 343.288 -2.134 1 0 biogenic,in-vitro EAAFRN COC(=O)Cc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095911725 560057893 /nfs/dbraw/zinc/05/78/93/560057893.db2.gz AYMJCHHSHFRKRI-TVKJYDDYSA-N 0 0 344.316 -1.714 1 0 biogenic,in-vitro EAAFRN COc1cc(CCO)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095911916 290944024 /nfs/dbraw/zinc/94/40/24/290944024.db2.gz ZZDVZVBAZHPHLY-ZQNQSHIBSA-N 0 0 330.333 -1.591 1 0 biogenic,in-vitro EAAFRN CC1(C)[C@H]2C[C@@H]1CC[C@@]2(O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095912076 560057607 /nfs/dbraw/zinc/05/76/07/560057607.db2.gz OZDOXQLAEQYDIK-CQXYJALYSA-N 0 0 332.393 -1.010 1 0 biogenic,in-vitro EAAFRN COc1ccc([C@H](O)[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000095913557 290944453 /nfs/dbraw/zinc/94/44/53/290944453.db2.gz JYWSARFDLXXOHT-QMTLHMFBSA-N 0 0 344.360 -1.066 1 0 biogenic,in-vitro EAAFRN COc1ccc([C@@H](O)[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000095913558 290944457 /nfs/dbraw/zinc/94/44/57/290944457.db2.gz JYWSARFDLXXOHT-VYHCSFOGSA-N 0 0 344.360 -1.066 1 0 biogenic,in-vitro EAAFRN OCC1=C[C@@H]2OCC[C@@H]2[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913900 560056246 /nfs/dbraw/zinc/05/62/46/560056246.db2.gz VZHPMRPUEAULJB-REECGULKSA-N 0 0 332.349 -2.244 1 0 biogenic,in-vitro EAAFRN C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)Cc1ccccc1 ZINC000095914307 560055824 /nfs/dbraw/zinc/05/58/24/560055824.db2.gz VXCHCEMGVYEDHV-FGOXOWFVSA-N 0 0 328.361 -1.205 1 0 biogenic,in-vitro EAAFRN C[C@H]1CC[C@@H]([C@](C)(O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C1 ZINC000095915089 560055262 /nfs/dbraw/zinc/05/52/62/560055262.db2.gz IRZZAYRPVZPEKL-LJJWUKLJSA-N 0 0 348.392 -1.441 1 0 biogenic,in-vitro EAAFRN COc1cc(C(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O ZINC000095919331 290943996 /nfs/dbraw/zinc/94/39/96/290943996.db2.gz YROOZUQRTLHXIO-YGEZULPYSA-N 0 0 330.289 -1.643 1 0 biogenic,in-vitro EAAFRN C[C@]12CC[C@H](C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CO ZINC000095919365 290945229 /nfs/dbraw/zinc/94/52/29/290945229.db2.gz OCDWKDASQKOTIQ-PSWNKMJPSA-N 0 0 332.393 -1.010 1 0 biogenic,in-vitro EAAFRN CC(C)[C@@]12C[C@@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777225 571823747 /nfs/dbraw/zinc/82/37/47/571823747.db2.gz HVTLBEUPVKSBIB-ARAPYRMMSA-N 0 0 332.393 -1.012 1 0 endogenous,in-man EAAFRN CC(C)[C@]12C[C@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777231 574418708 /nfs/dbraw/zinc/41/87/08/574418708.db2.gz HVTLBEUPVKSBIB-IMLDHARWSA-N 0 0 332.393 -1.012 1 0 endogenous,in-man EAAFRN CC1(C)O[C@]2(CO)CC[C@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100778104 574418805 /nfs/dbraw/zinc/41/88/05/574418805.db2.gz IULDBYINDUBFDT-VGFPVSHISA-N 0 0 348.392 -1.489 1 0 endogenous,in-man EAAFRN CC1(C)O[C@@]2(CO)CC[C@@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100778109 571826894 /nfs/dbraw/zinc/82/68/94/571826894.db2.gz IULDBYINDUBFDT-LDRBGXTCSA-N 0 0 348.392 -1.489 1 0 endogenous,in-man EAAFRN CC(C)(C)OC(=O)NCCNC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1 ZINC000101862785 219168262 /nfs/dbraw/zinc/16/82/62/219168262.db2.gz YQONAVIMHHUJNX-ZSJJWGNYSA-N 0 0 334.369 -1.765 1 0 EAAFRN CCc1cn2c(nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)O)c2=O)[nH]1 ZINC000101883940 219169894 /nfs/dbraw/zinc/16/98/94/219169894.db2.gz NONGVTJESVGKLC-YWGZHDIYSA-N 0 0 349.347 -1.064 1 0 EAAFRN Cn1c(N)c2nc(NN)n([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O ZINC000101981922 219178135 /nfs/dbraw/zinc/17/81/35/219178135.db2.gz TZCBTOCSTDUODV-BDXYJKHTSA-N 0 0 327.301 -3.560 1 0 EAAFRN Cn1c(N)c2nc(NN)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc1=O ZINC000101981926 219177946 /nfs/dbraw/zinc/17/79/46/219177946.db2.gz TZCBTOCSTDUODV-UUOKFMHZSA-N 0 0 327.301 -3.560 1 0 EAAFRN COC(=O)C(=O)[C@@H]1CCCC[C@@H](C2=N[C@@H]3NN=C(N)N3C2=O)C1=O ZINC000102987080 204058114 /nfs/dbraw/zinc/05/81/14/204058114.db2.gz BTUDDSYILNPZQN-ARSJJCECSA-N 0 0 335.320 -1.496 1 0 EAAFRN COC(=O)C(=O)[C@H]1CCCC[C@@H](C2=N[C@@H]3NN=C(N)N3C2=O)C1=O ZINC000102987081 219245985 /nfs/dbraw/zinc/24/59/85/219245985.db2.gz BTUDDSYILNPZQN-SLQXFBPESA-N 0 0 335.320 -1.496 1 0 EAAFRN Cc1cn([C@H]2C[C@H](O)[C@](CO)(n3cc(CO)nn3)O2)c(=O)[nH]c1=O ZINC000103297934 219286475 /nfs/dbraw/zinc/28/64/75/219286475.db2.gz VIXJDRJLAKUAFX-OPQQBVKSSA-N 0 0 339.308 -2.446 1 0 EAAFRN CCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O ZINC000103299021 204073733 /nfs/dbraw/zinc/07/37/33/204073733.db2.gz BJSAZVHNGHCHQZ-FLNNQWSLSA-N 0 0 337.340 -1.795 1 0 EAAFRN O=c1ccc2cc(O)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2o1 ZINC000104874955 571843268 /nfs/dbraw/zinc/84/32/68/571843268.db2.gz WNBCMONIPIJTSB-XKNKYKOPSA-N 0 0 340.284 -1.323 1 0 endogenous,in-man EAAFRN Cn1c(Cl)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 ZINC000169329031 530046610 /nfs/dbraw/zinc/04/66/10/530046610.db2.gz IGGDTDAONVLMRJ-NRDHGAROSA-N 0 0 330.728 -2.472 1 0 EAAFRN CCC(=O)NC[C@@H](O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O ZINC000169335344 528391637 /nfs/dbraw/zinc/39/16/37/528391637.db2.gz UDAAGGBHMPKSGQ-SPFNVWMYSA-N 0 0 327.337 -1.619 1 0 EAAFRN COC(=O)[C@@]1(OC)C[C@@H](O)[C@H](NC(C)=O)[C@H]([C@@H](O)[C@H](O)CO)O1 ZINC000169346363 533150131 /nfs/dbraw/zinc/15/01/31/533150131.db2.gz JKTJXQQVMKZKQA-KCRWSQEUSA-N 0 0 337.325 -3.129 1 0 EAAFRN O=C(/C=C/c1ccc(O)cc1)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000198414322 686424374 /nfs/dbraw/zinc/42/43/74/686424374.db2.gz DSNCQKUYZOSARM-AIABZAGBSA-N 0 0 326.301 -1.252 1 0 endogenous,in-man EAAFRN O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000256098224 685091787 /nfs/dbraw/zinc/09/17/87/685091787.db2.gz DSNCQKUYZOSARM-ZYZWGZCLSA-N 0 0 326.301 -1.252 1 0 endogenous,in-man EAAFRN [NH3+]CCc1ccc(O)c(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]2O)c1 ZINC000044963228 375158769 /nfs/dbraw/zinc/15/87/69/375158769.db2.gz VFNIABIHYUQGBJ-ZXPJVPCYSA-N 0 0 329.305 -1.836 2 0 EAAFRN CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000072481937 216261497 /nfs/dbraw/zinc/26/14/97/216261497.db2.gz WGAZVCWTYRJGSB-QRKAXHLRSA-N 0 0 325.325 -1.191 2 0 EAAFRN CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000072481938 216261533 /nfs/dbraw/zinc/26/15/33/216261533.db2.gz WGAZVCWTYRJGSB-NNXMZFEESA-N 0 0 325.325 -1.191 2 0 EAAFRN CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000072481941 216262059 /nfs/dbraw/zinc/26/20/59/216262059.db2.gz WGBLLRVMAHKTDI-QRKAXHLRSA-N 0 0 325.325 -1.193 2 0 EAAFRN CC(C)Oc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000072481942 216261429 /nfs/dbraw/zinc/26/14/29/216261429.db2.gz WGBLLRVMAHKTDI-NNXMZFEESA-N 0 0 325.325 -1.193 2 0 EAAFRN Nc1nc2c(nc(Br)n2[C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1 ZINC000072481944 203233216 /nfs/dbraw/zinc/23/32/16/203233216.db2.gz RDKNZUQUUSPEJP-KVTDHHQDSA-N 0 0 346.141 -1.857 2 0 EAAFRN Nc1nc2c(nc(Br)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 ZINC000072481945 203232304 /nfs/dbraw/zinc/23/23/04/203232304.db2.gz RDKNZUQUUSPEJP-SLPGGIOYSA-N 0 0 346.141 -1.857 2 0 EAAFRN Nc1nc2c(nc(Br)n2[C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1 ZINC000072481946 203232720 /nfs/dbraw/zinc/23/27/20/203232720.db2.gz RDKNZUQUUSPEJP-KAZBKCHUSA-N 0 0 346.141 -1.857 2 0 EAAFRN Nc1nc2c(nc(Br)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 ZINC000072481947 216261469 /nfs/dbraw/zinc/26/14/69/216261469.db2.gz RDKNZUQUUSPEJP-KCDKBNATSA-N 0 0 346.141 -1.857 2 0 EAAFRN Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(OCCO)n1 ZINC000072481953 216261718 /nfs/dbraw/zinc/26/17/18/216261718.db2.gz YIFYTUJDJLJZSZ-ICQCTTRCSA-N 0 0 327.297 -2.609 2 0 EAAFRN Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(OCCO)n1 ZINC000072481954 216261436 /nfs/dbraw/zinc/26/14/36/216261436.db2.gz YIFYTUJDJLJZSZ-LEIICMHDSA-N 0 0 327.297 -2.609 2 0 EAAFRN CO[C@]12[C@@H]3[C@@H]4CN1[C@@]1(C(=O)C(C)=C(N)C(=O)[C@@H]1[C@H]2COC(N)=O)N43 ZINC000077270704 375159358 /nfs/dbraw/zinc/15/93/58/375159358.db2.gz KGJPKCAFTRHFOU-NRYIUZATSA-N 0 0 334.332 -1.444 2 0 EAAFRN OC[C@@H]1O[C@H](OC2=c3c(cccc3Cl)=NC2)[C@H](O)[C@H](O)[C@@H]1O ZINC000086863200 374333512 /nfs/dbraw/zinc/33/35/12/374333512.db2.gz DIAKPNXBYSMLMX-RBQFQAMWSA-N 0 0 329.736 -2.102 2 0 EAAFRN OC[C@@H]1O[C@@H](OC2=c3c(cccc3Cl)=NC2)[C@H](O)[C@H](O)[C@@H]1O ZINC000086863202 217703113 /nfs/dbraw/zinc/70/31/13/217703113.db2.gz DIAKPNXBYSMLMX-BTXBGFNFSA-N 0 0 329.736 -2.102 2 0 EAAFRN OC[C@@H]1O[C@H](OC2=c3c(cccc3Cl)=NC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000086863203 374334132 /nfs/dbraw/zinc/33/41/32/374334132.db2.gz DIAKPNXBYSMLMX-OMRNGCIESA-N 0 0 329.736 -2.102 2 0 EAAFRN OC[C@@H]1O[C@@H](OC2=c3c(cccc3Cl)=NC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000086863205 203553305 /nfs/dbraw/zinc/55/33/05/203553305.db2.gz DIAKPNXBYSMLMX-QIWZIZFYSA-N 0 0 329.736 -2.102 2 0 EAAFRN CCS(=O)(=O)C([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O)S(=O)(=O)CC ZINC000103351323 375159312 /nfs/dbraw/zinc/15/93/12/375159312.db2.gz GAYPCIYXXTVAMZ-KDXUFGMBSA-N 0 0 334.412 -2.355 2 0 EAAFRN COC(=O)[C@]1(OC)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@H](O)CO)O1 ZINC000196595508 374833460 /nfs/dbraw/zinc/83/34/60/374833460.db2.gz JKTJXQQVMKZKQA-PSLDFFFNSA-N 0 0 337.325 -3.129 2 0 EAAFRN COC(=O)[C@H]1O[C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000205420826 374492129 /nfs/dbraw/zinc/49/21/29/374492129.db2.gz CLHFNXQWJBTGBL-XPCJQDJLSA-N 0 0 334.277 -1.328 2 0 EAAFRN O=C(CC1=c2ccccc2=NC1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000306120955 374672760 /nfs/dbraw/zinc/67/27/60/374672760.db2.gz AMAOOBDEKDOHHM-JZYAIQKZSA-N 0 0 337.328 -2.796 2 0 EAAFRN OC[C@@H]1O[C@@H](OC2=c3c(cccc3Cl)=NC2)[C@@H](O)[C@H](O)[C@H]1O ZINC000306121231 375180410 /nfs/dbraw/zinc/18/04/10/375180410.db2.gz DIAKPNXBYSMLMX-FRVYIDGWSA-N 0 0 329.736 -2.102 2 0 EAAFRN OC[C@@H]1O[C@H](OC2=c3c(cccc3Cl)=NC2)[C@@H](O)[C@H](O)[C@H]1O ZINC000306121232 375181209 /nfs/dbraw/zinc/18/12/09/375181209.db2.gz DIAKPNXBYSMLMX-HNGSFYKJSA-N 0 0 329.736 -2.102 2 0 EAAFRN Cn1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(=O)n(C)c1=O ZINC000004337663 210174333 /nfs/dbraw/zinc/17/43/33/210174333.db2.gz XINGKLHNNVOBIS-UHFFFAOYSA-N 0 0 330.366 -2.030 3 0 EAAFRN Cc1cn2c(n1)n(C)c1c(ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c2=O ZINC000014884843 211769622 /nfs/dbraw/zinc/76/96/22/211769622.db2.gz JCZSFCLRSONYLH-SQFXPHBZSA-N 0 0 335.320 -1.697 3 0 EAAFRN O=C(NCC(F)(F)F)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O ZINC000095568179 218438204 /nfs/dbraw/zinc/43/82/04/218438204.db2.gz ZOOSWDOWHBPSDL-VOQBNFLRSA-N 0 0 339.226 -2.166 3 0 EAAFRN Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(Br)nc1-2 ZINC000256693349 685760427 /nfs/dbraw/zinc/76/04/27/685760427.db2.gz LTPDBNBCLYIPDB-UUOKFMHZSA-N 0 0 346.141 -1.266 3 0 EAAFRN