smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000000816563 209376703 /nfs/dbraw/zinc/37/67/03/209376703.db2.gz IADZCPPMQKWPBR-UHFFFAOYSA-N 0 0 370.497 -1.232 40 0 FAABRN CC(=O)Nc1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000000852526 482709216 /nfs/dbraw/zinc/70/92/16/482709216.db2.gz IWCWSRODNPRNLK-QMHWVQJVSA-N 0 0 354.359 -1.033 40 0 FAABRN COc1cc2ccc(=O)oc2cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000000901014 291019607 /nfs/dbraw/zinc/01/96/07/291019607.db2.gz SGTCGCCQZOUMJJ-SLZITWOASA-N 0 0 354.311 -1.020 40 0 biogenic,in-vitro FAABRN O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1I ZINC000001044266 483692971 /nfs/dbraw/zinc/69/29/71/483692971.db2.gz RKSLVDIXBGWPIS-TYQACLPBSA-N 0 0 370.099 -2.247 40 0 FAABRN O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I ZINC000001044267 219357876 /nfs/dbraw/zinc/35/78/76/219357876.db2.gz RKSLVDIXBGWPIS-GCJQMDKQSA-N 0 0 370.099 -2.247 40 0 FAABRN CC1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000001081597 219366570 /nfs/dbraw/zinc/36/65/70/219366570.db2.gz UONWPCCRGXTMPY-AYIJCJCZSA-N 0 0 365.390 -1.033 40 0 FAABRN Cn1cnc2c1c(=O)n(Cc1nc(N)nc(N3CCOCC3)n1)c(=O)n2C ZINC000001087824 132380122 /nfs/dbraw/zinc/38/01/22/132380122.db2.gz BTGCPHOOCKBNBW-UHFFFAOYSA-N 0 0 373.377 -1.914 40 0 FAABRN CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000001319228 482529839 /nfs/dbraw/zinc/52/98/39/482529839.db2.gz AUFUWRKPQLGTGF-RUZUBIRVSA-N 0 0 370.314 -1.140 40 0 FAABRN C[C@H](CO)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000001319874 219395151 /nfs/dbraw/zinc/39/51/51/219395151.db2.gz DBVVQDGIJAUEAZ-OPYVMVOTSA-N 0 0 353.379 -1.132 40 0 in-vitro FAABRN COc1cc(/C=C/CO)cc(OC)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000001552080 482906412 /nfs/dbraw/zinc/90/64/12/482906412.db2.gz QJVXKWHHAMZTBY-VKAIBYOUSA-N 0 0 372.370 -1.112 40 0 FAABRN NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc(N)nc(N)c2c1=O ZINC000001560456 206887806 /nfs/dbraw/zinc/88/78/06/206887806.db2.gz KYOWULICTCFHHF-LJOMOVNESA-N 0 0 352.307 -3.334 40 0 FAABRN COC(=O)C[C@@]1(C(=O)OC)[C@@H](C(=O)OC)[C@H](C(=O)OC)N(C(C)=O)N1C ZINC000001578219 482529640 /nfs/dbraw/zinc/52/96/40/482529640.db2.gz GRSJKWUDYYPHJA-HFAKWTLXSA-N 0 0 374.346 -1.499 40 0 FAABRN CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000001610018 210361361 /nfs/dbraw/zinc/36/13/61/210361361.db2.gz HBXJYTFPZSYZAQ-JJMVBFHUSA-N 0 0 360.323 -4.191 40 0 FAABRN CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000001625235 483689478 /nfs/dbraw/zinc/68/94/78/483689478.db2.gz OXTYJSXVUGJSGM-BUGNERGVSA-N 0 0 353.335 -1.674 40 0 FAABRN O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)cc1I ZINC000001647308 482529416 /nfs/dbraw/zinc/52/94/16/482529416.db2.gz IPVFGAYTKQKGBM-UAKXSSHOSA-N 0 0 372.090 -1.270 40 0 in-vitro FAABRN O=c1[nH]c2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000001723969 483689583 /nfs/dbraw/zinc/68/95/83/483689583.db2.gz YLAPSBFYSPSPLA-AJFJRRQVSA-N 0 0 363.124 -1.801 40 0 FAABRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000002132534 206152087 /nfs/dbraw/zinc/15/20/87/206152087.db2.gz MOPBYWJWMGGTCJ-WVFNQNJUSA-N 0 0 351.352 -1.757 40 0 FAABRN O=C([O-])[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1 ZINC000002391087 482887345 /nfs/dbraw/zinc/88/73/45/482887345.db2.gz ITYONPBTNRIEBA-GRYCIOLGSA-N 0 0 363.374 -1.209 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000002461679 482531234 /nfs/dbraw/zinc/53/12/34/482531234.db2.gz ASUCSHXLTWZYBA-UZJDFGQCSA-N 0 0 362.140 -1.924 40 0 FAABRN Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1I ZINC000002516150 483694770 /nfs/dbraw/zinc/69/47/70/483694770.db2.gz LQQGJDJXUSAEMZ-TYQACLPBSA-N 0 0 369.115 -1.958 40 0 FAABRN O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)O2)cc1I ZINC000002562618 204044190 /nfs/dbraw/zinc/04/41/90/204044190.db2.gz XQFRJNBWHJMXHO-DSYKOEDSSA-N 0 0 354.100 -1.218 40 0 FAABRN CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000002564764 483695078 /nfs/dbraw/zinc/69/50/78/483695078.db2.gz OXTYJSXVUGJSGM-OIHOSGODSA-N 0 0 353.335 -1.674 40 0 FAABRN C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@]21O ZINC000002566037 483717074 /nfs/dbraw/zinc/71/70/74/483717074.db2.gz HEYZWPRKKUGDCR-GNTXERDESA-N 0 0 374.342 -2.477 40 0 FAABRN NC(=O)CNC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](NC(=O)NC2CCCCC2)C1 ZINC000003838737 483082561 /nfs/dbraw/zinc/08/25/61/483082561.db2.gz SOFKNPJWARYBQE-IQDSPRDJSA-N 0 0 372.422 -2.165 40 0 biogenic,in-vitro FAABRN NC(=O)CNC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](NC(=O)c2cccs2)C1 ZINC000003838743 483082975 /nfs/dbraw/zinc/08/29/75/483082975.db2.gz WEIVQWFQHLSOIF-JIWZRMEJSA-N 0 0 357.388 -2.305 40 0 biogenic,in-vitro FAABRN NC(=O)CNC(=O)C1=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)[C@H](O)C1 ZINC000003838750 206165036 /nfs/dbraw/zinc/16/50/36/206165036.db2.gz XOMSVXUCECADBA-YRGRVCCFSA-N 0 0 351.334 -1.423 40 0 biogenic,in-vitro FAABRN NC(=O)CNC(=O)C1=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](O)[C@H](O)C1 ZINC000003838758 206165657 /nfs/dbraw/zinc/16/56/57/206165657.db2.gz AAXAKLISUMJJGA-YRGRVCCFSA-N 0 0 354.407 -1.360 40 0 biogenic,in-vitro FAABRN C[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1)C(N)=O ZINC000003838763 219526596 /nfs/dbraw/zinc/52/65/96/219526596.db2.gz LTHDCGFMCXJXMA-UGKPPGOTSA-N 0 0 353.400 -1.112 40 0 biogenic,in-vitro FAABRN NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)c2cccc(F)c2)[C@@H](O)[C@H](O)C1 ZINC000003838798 206165443 /nfs/dbraw/zinc/16/54/43/206165443.db2.gz IEVLIPADMKEPBM-UMVBOHGHSA-N 0 0 365.361 -1.032 40 0 biogenic,in-vitro FAABRN NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1 ZINC000003838799 209407003 /nfs/dbraw/zinc/40/70/03/209407003.db2.gz NSQINWGPNSVREX-GIPNMCIBSA-N 0 0 353.400 -1.110 40 0 biogenic,in-vitro FAABRN CSCC(=O)N1C[C@@H](NC(=O)NC(C)C)C[C@H]1C(=O)N(C)CC(N)=O ZINC000003838881 483083254 /nfs/dbraw/zinc/08/32/54/483083254.db2.gz PTISMNMIHSQAOC-QWRGUYRKSA-N 0 0 373.479 -1.030 40 0 biogenic,in-vitro FAABRN CSCC(=O)N1CC[C@H](NC(=O)NC(C)C)[C@H]1C(=O)N(C)CC(N)=O ZINC000003839107 206165367 /nfs/dbraw/zinc/16/53/67/206165367.db2.gz MRYLUKNBRYQFEM-GWCFXTLKSA-N 0 0 373.479 -1.030 40 0 biogenic,in-vitro FAABRN NC(=O)CNC(=O)C1=C[C@@H](NC(=O)Cc2cccs2)[C@@H](O)[C@H](O)C1 ZINC000003840031 483082224 /nfs/dbraw/zinc/08/22/24/483082224.db2.gz WMUDKESCUMITLG-JTNHKYCSSA-N 0 0 353.400 -1.571 40 0 biogenic,in-vitro FAABRN NC(=O)CNC(=O)C1=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H](O)C1 ZINC000003840037 219526192 /nfs/dbraw/zinc/52/61/92/219526192.db2.gz IRHWXFHFMDFBCO-YRGRVCCFSA-N 0 0 366.349 -1.031 40 0 biogenic,in-vitro FAABRN C[C@@H](NC(=O)C1=C[C@@H](NC(=O)Cc2cccs2)[C@@H](O)[C@H](O)C1)C(N)=O ZINC000003840039 483083143 /nfs/dbraw/zinc/08/31/43/483083143.db2.gz HZCKJRJKYKTOQJ-LHNIVKCTSA-N 0 0 367.427 -1.183 40 0 biogenic,in-vitro FAABRN O=C(N[C@@H]1C=C(C(=O)N[C@H]2CCCNC2=O)C[C@@H](O)[C@@H]1O)c1cccnc1 ZINC000003840142 206164692 /nfs/dbraw/zinc/16/46/92/206164692.db2.gz SXZQUYLUEMBWEA-GBJTYRQASA-N 0 0 374.397 -1.373 40 0 biogenic,in-vitro FAABRN NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)Cc2cccs2)[C@@H](O)[C@H](O)C1 ZINC000003840150 483083397 /nfs/dbraw/zinc/08/33/97/483083397.db2.gz NOIJVSCRQCXDKI-LALPHHSUSA-N 0 0 367.427 -1.181 40 0 biogenic,in-vitro FAABRN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)C12[C@@H](C(=O)OC)C(=O)[C@H]2C(=O)OC ZINC000003848629 204111479 /nfs/dbraw/zinc/11/14/79/204111479.db2.gz GLACKWQUYBCIJX-YHRILZAWSA-N 0 0 356.283 -1.705 40 0 FAABRN COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)C12[C@@H](C(=O)OC)C(=O)[C@H]2C(=O)OC ZINC000003848631 482532999 /nfs/dbraw/zinc/53/29/99/482532999.db2.gz GLACKWQUYBCIJX-XUTVFYLZSA-N 0 0 356.283 -1.705 40 0 FAABRN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)C12[C@H](C(=O)OC)C(=O)[C@H]2C(=O)OC ZINC000003848633 482532861 /nfs/dbraw/zinc/53/28/61/482532861.db2.gz GLACKWQUYBCIJX-DKXJUACHSA-N 0 0 356.283 -1.705 40 0 FAABRN CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC000003898167 482798982 /nfs/dbraw/zinc/79/89/82/482798982.db2.gz ULNYWSYTZHUVLX-WQURNTSKSA-N 0 0 366.378 -2.517 40 0 FAABRN CC1CCN(c2nc3c(nc[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000003984111 483519993 /nfs/dbraw/zinc/51/99/93/483519993.db2.gz UONWPCCRGXTMPY-NFOTXUCKSA-N 0 0 365.390 -1.033 40 0 FAABRN CC1CCN(c2nc3c(nc[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC000003984112 483519724 /nfs/dbraw/zinc/51/97/24/483519724.db2.gz UONWPCCRGXTMPY-LIBKGXAOSA-N 0 0 365.390 -1.033 40 0 FAABRN CC1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC000003984113 482798969 /nfs/dbraw/zinc/79/89/69/482798969.db2.gz UONWPCCRGXTMPY-XDYICZGBSA-N 0 0 365.390 -1.033 40 0 FAABRN CC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000004011870 203809110 /nfs/dbraw/zinc/80/91/10/203809110.db2.gz AUFUWRKPQLGTGF-DOERSZECSA-N 0 0 370.314 -1.140 40 0 FAABRN CC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004011871 206997972 /nfs/dbraw/zinc/99/79/72/206997972.db2.gz AUFUWRKPQLGTGF-AHLTXXRQSA-N 0 0 370.314 -1.140 40 0 FAABRN O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004018109 482799056 /nfs/dbraw/zinc/79/90/56/482799056.db2.gz RLJFXPQTJCNTCL-CYFJXOGMSA-N 0 0 351.363 -1.279 40 0 FAABRN O=c1[nH]cnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000004018111 204118191 /nfs/dbraw/zinc/11/81/91/204118191.db2.gz RLJFXPQTJCNTCL-WQURNTSKSA-N 0 0 351.363 -1.279 40 0 FAABRN O=C1[C@H]2[C@H](C(=O)N1CCO)[C@@H]1[C@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)N(CCO)C(=O)[C@@H]12 ZINC000004175107 482532377 /nfs/dbraw/zinc/53/23/77/482532377.db2.gz NNCBLLLMELTIGX-LZUQCMGVSA-N 0 0 360.366 -1.765 40 0 FAABRN COC(=O)[C@@H]1[C@@H](n2nnc(C(N)=O)c2C(N)=O)CCN1C(=O)C1CCC1 ZINC000004221567 206172649 /nfs/dbraw/zinc/17/26/49/206172649.db2.gz IYARMFVEXXCZDJ-WPRPVWTQSA-N 0 0 364.362 -1.409 40 0 biogenic,in-vitro FAABRN Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000004241806 219557911 /nfs/dbraw/zinc/55/79/11/219557911.db2.gz FKGIRENFNLSWQM-UEMWIJBDSA-N 0 0 362.140 -2.886 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000004241808 482671781 /nfs/dbraw/zinc/67/17/81/482671781.db2.gz FKGIRENFNLSWQM-WHRNBFEESA-N 0 0 362.140 -2.886 40 0 FAABRN Nc1nc2c(nc(N3CCOCC3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000004256213 206172355 /nfs/dbraw/zinc/17/23/55/206172355.db2.gz BNDIZWMKIIMLTJ-YWZCALJYSA-N 0 0 368.350 -2.850 40 0 FAABRN Nc1nc2c(nc(N3CCOCC3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000004256214 263332021 /nfs/dbraw/zinc/33/20/21/263332021.db2.gz BNDIZWMKIIMLTJ-YLJFRXORSA-N 0 0 368.350 -2.850 40 0 FAABRN Nc1nc2c(nc(N3CCOCC3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000004256215 206172048 /nfs/dbraw/zinc/17/20/48/206172048.db2.gz BNDIZWMKIIMLTJ-CIPNSKCISA-N 0 0 368.350 -2.850 40 0 FAABRN Nc1nc2c(nc(N3CCOCC3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000004256216 206172320 /nfs/dbraw/zinc/17/23/20/206172320.db2.gz BNDIZWMKIIMLTJ-UKHPNBTGSA-N 0 0 368.350 -2.850 40 0 FAABRN CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC000004256764 263332166 /nfs/dbraw/zinc/33/21/66/263332166.db2.gz KIJMKINONVYUTA-QJPTWQEYSA-N 0 0 356.423 -1.591 40 0 FAABRN CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC000004256765 263332045 /nfs/dbraw/zinc/33/20/45/263332045.db2.gz KIJMKINONVYUTA-SDDRHHMPSA-N 0 0 356.423 -1.591 40 0 FAABRN CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC000004256766 263332189 /nfs/dbraw/zinc/33/21/89/263332189.db2.gz KIJMKINONVYUTA-TUAOUCFPSA-N 0 0 356.423 -1.591 40 0 FAABRN CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1 ZINC000004256767 263332211 /nfs/dbraw/zinc/33/22/11/263332211.db2.gz KIJMKINONVYUTA-SRVKXCTJSA-N 0 0 356.423 -1.591 40 0 FAABRN COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O ZINC000004305752 207013002 /nfs/dbraw/zinc/01/30/02/207013002.db2.gz DHSJSCKOXMSVNH-OTJKEOIZSA-N 0 0 355.343 -1.170 40 0 FAABRN COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000004305754 204131717 /nfs/dbraw/zinc/13/17/17/204131717.db2.gz DHSJSCKOXMSVNH-QMHWVQJVSA-N 0 0 355.343 -1.170 40 0 FAABRN COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O ZINC000004305757 482805751 /nfs/dbraw/zinc/80/57/51/482805751.db2.gz DHSJSCKOXMSVNH-GCSSGZNBSA-N 0 0 355.343 -1.170 40 0 FAABRN COc1cc(C=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O ZINC000004305761 207012989 /nfs/dbraw/zinc/01/29/89/207012989.db2.gz DHSJSCKOXMSVNH-RBZJEDDUSA-N 0 0 355.343 -1.170 40 0 FAABRN COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O ZINC000004305764 204130916 /nfs/dbraw/zinc/13/09/16/204130916.db2.gz OCTAXAHVUYMHBW-ADVQIIOHSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000004305766 482805514 /nfs/dbraw/zinc/80/55/14/482805514.db2.gz OCTAXAHVUYMHBW-HAFSJTIUSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O ZINC000004305768 207012014 /nfs/dbraw/zinc/01/20/14/207012014.db2.gz OCTAXAHVUYMHBW-YTBGYOSVSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O ZINC000004305770 204131046 /nfs/dbraw/zinc/13/10/46/204131046.db2.gz OCTAXAHVUYMHBW-JAAXMTQOSA-N 0 0 355.343 -1.204 40 0 FAABRN COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O ZINC000004348410 206177171 /nfs/dbraw/zinc/17/71/71/206177171.db2.gz CRSFLLTWRCYNNX-PHVBXJGCSA-N 0 0 370.310 -1.314 40 0 biogenic,in-vitro FAABRN NS(=O)(=O)c1ccc(NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC000004417043 482533003 /nfs/dbraw/zinc/53/30/03/482533003.db2.gz JSZJNSUQMVVBLG-GWOFURMSSA-N 0 0 350.349 -3.292 40 0 FAABRN NS(=O)(=O)c1ccc(NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC000004417044 207020140 /nfs/dbraw/zinc/02/01/40/207020140.db2.gz JSZJNSUQMVVBLG-DBIOUOCHSA-N 0 0 350.349 -3.292 40 0 FAABRN NS(=O)(=O)c1ccc(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC000004417045 207019360 /nfs/dbraw/zinc/01/93/60/207019360.db2.gz JSZJNSUQMVVBLG-CHWFTXMASA-N 0 0 350.349 -3.292 40 0 FAABRN NS(=O)(=O)c1ccc(NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC000004417047 482532891 /nfs/dbraw/zinc/53/28/91/482532891.db2.gz JSZJNSUQMVVBLG-ZNSHCXBVSA-N 0 0 350.349 -3.292 40 0 FAABRN CC(C)C[C@H](NC(=O)[C@H]1O[C@H]1C(=O)[O-])C(=O)NCCCCNC(N)=[NH2+] ZINC000004475165 482532841 /nfs/dbraw/zinc/53/28/41/482532841.db2.gz LTLYEAJONXGNFG-GARJFASQSA-N 0 0 357.411 -1.251 40 0 aggregator FAABRN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)C2C1[C@H](C(=O)OC)C(=O)[C@H]2C(=O)OC ZINC000004530521 482532319 /nfs/dbraw/zinc/53/23/19/482532319.db2.gz SWCWCPQCKMRHID-SVIIGIRWSA-N 0 0 370.310 -1.459 40 0 FAABRN COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)C2C1[C@H](C(=O)OC)C(=O)[C@@H]2C(=O)OC ZINC000004530523 207027036 /nfs/dbraw/zinc/02/70/36/207027036.db2.gz SWCWCPQCKMRHID-IRLGLTFLSA-N 0 0 370.310 -1.459 40 0 FAABRN O=C(CNC(=O)OCc1ccccc1)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004532647 263333557 /nfs/dbraw/zinc/33/35/57/263333557.db2.gz KCLZXOUVOULMDP-YADOHIMWSA-N 0 0 370.358 -2.171 40 0 FAABRN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000004532648 263333726 /nfs/dbraw/zinc/33/37/26/263333726.db2.gz KCLZXOUVOULMDP-DJIJKHNZSA-N 0 0 370.358 -2.171 40 0 FAABRN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O ZINC000004532649 263333784 /nfs/dbraw/zinc/33/37/84/263333784.db2.gz KCLZXOUVOULMDP-NBRWMIFNSA-N 0 0 370.358 -2.171 40 0 FAABRN O=C(CNC(=O)OCc1ccccc1)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O ZINC000004532650 263333654 /nfs/dbraw/zinc/33/36/54/263333654.db2.gz KCLZXOUVOULMDP-MQFWEAQZSA-N 0 0 370.358 -2.171 40 0 FAABRN C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000004533885 482532774 /nfs/dbraw/zinc/53/27/74/482532774.db2.gz XXAUOPDVAKGRPR-WYCDGMCDSA-N 0 0 373.410 -2.563 40 0 FAABRN COc1cc2ccc(=O)oc2c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1O ZINC000004544766 483347633 /nfs/dbraw/zinc/34/76/33/483347633.db2.gz CRSFLLTWRCYNNX-TXRSOIPOSA-N 0 0 370.310 -1.314 40 0 biogenic,in-vitro FAABRN COc1cc2ccc(=O)oc2c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O ZINC000004544767 482715408 /nfs/dbraw/zinc/71/54/08/482715408.db2.gz CRSFLLTWRCYNNX-RPHDFDQUSA-N 0 0 370.310 -1.314 40 0 biogenic,in-vitro FAABRN COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O ZINC000004544768 206230316 /nfs/dbraw/zinc/23/03/16/206230316.db2.gz CRSFLLTWRCYNNX-ONLLLNKHSA-N 0 0 370.310 -1.314 40 0 biogenic,in-vitro FAABRN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1 ZINC000004654627 483430598 /nfs/dbraw/zinc/43/05/98/483430598.db2.gz XNSAINXGIQZQOO-WOPDTQHZSA-N 0 0 362.390 -1.808 40 0 in-vitro FAABRN CCS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1ncnc2N ZINC000004707689 482532694 /nfs/dbraw/zinc/53/26/94/482532694.db2.gz POHUCFSWYVMLKP-ABDJVACUSA-N 0 0 359.408 -1.904 40 0 FAABRN CCS[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1ncnc2N ZINC000004707691 207040594 /nfs/dbraw/zinc/04/05/94/207040594.db2.gz POHUCFSWYVMLKP-RRDYINPDSA-N 0 0 359.408 -1.904 40 0 FAABRN CCS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1ncnc2N ZINC000004707692 207040837 /nfs/dbraw/zinc/04/08/37/207040837.db2.gz POHUCFSWYVMLKP-OXBUZNFYSA-N 0 0 359.408 -1.904 40 0 FAABRN CCS[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1ncnc2N ZINC000004707694 482532749 /nfs/dbraw/zinc/53/27/49/482532749.db2.gz POHUCFSWYVMLKP-BUXRITGLSA-N 0 0 359.408 -1.904 40 0 FAABRN CC(=O)Nc1nc2c(ncn2[C@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]2O)c(N)n1 ZINC000004707854 204156795 /nfs/dbraw/zinc/15/67/95/204156795.db2.gz OJBUNRHBKLMRRO-WINUVELESA-N 0 0 354.323 -2.661 40 0 FAABRN CC(=O)Nc1nc2c(ncn2[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]2O)c(N)n1 ZINC000004707856 204157146 /nfs/dbraw/zinc/15/71/46/204157146.db2.gz OJBUNRHBKLMRRO-AQAFXTQQSA-N 0 0 354.323 -2.661 40 0 FAABRN CC(=O)Nc1nc2c(ncn2[C@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)c(N)n1 ZINC000004707857 482533021 /nfs/dbraw/zinc/53/30/21/482533021.db2.gz OJBUNRHBKLMRRO-GCLGEZPSSA-N 0 0 354.323 -2.661 40 0 FAABRN CC(=O)Nc1nc2c(ncn2[C@@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)c(N)n1 ZINC000004707858 207040725 /nfs/dbraw/zinc/04/07/25/207040725.db2.gz OJBUNRHBKLMRRO-HTBHEZIPSA-N 0 0 354.323 -2.661 40 0 FAABRN CSC[S@](=O)C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000004742519 483158193 /nfs/dbraw/zinc/15/81/93/483158193.db2.gz XKLZIVIOZDNKEQ-IREUOPFVSA-N 0 0 361.445 -1.069 40 0 in-man FAABRN NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(N)c2c1=O ZINC000004772539 207047526 /nfs/dbraw/zinc/04/75/26/207047526.db2.gz KYOWULICTCFHHF-LTHVICQPSA-N 0 0 352.307 -3.334 40 0 FAABRN NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(N)c2c1=O ZINC000004772540 219605993 /nfs/dbraw/zinc/60/59/93/219605993.db2.gz KYOWULICTCFHHF-KSHIGNKQSA-N 0 0 352.307 -3.334 40 0 FAABRN NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc(N)nc(N)c2c1=O ZINC000004772542 207047738 /nfs/dbraw/zinc/04/77/38/207047738.db2.gz KYOWULICTCFHHF-OZEWQGRDSA-N 0 0 352.307 -3.334 40 0 FAABRN O=c1[nH]c2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000004786918 207048095 /nfs/dbraw/zinc/04/80/95/207048095.db2.gz YLAPSBFYSPSPLA-VCAJRUBLSA-N 0 0 363.124 -1.801 40 0 FAABRN CC(=O)Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 ZINC000004892662 204173799 /nfs/dbraw/zinc/17/37/99/204173799.db2.gz XVIFZZGCCJWHHU-OTJKEOIZSA-N 0 0 354.359 -1.033 40 0 FAABRN CC(=O)Nc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 ZINC000004892663 482827949 /nfs/dbraw/zinc/82/79/49/482827949.db2.gz XVIFZZGCCJWHHU-CQJMVSDSSA-N 0 0 354.359 -1.033 40 0 FAABRN CC(=O)Nc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 ZINC000004892664 219620032 /nfs/dbraw/zinc/62/00/32/219620032.db2.gz XVIFZZGCCJWHHU-QMHWVQJVSA-N 0 0 354.359 -1.033 40 0 FAABRN CC(=O)Nc1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 ZINC000004892667 207058569 /nfs/dbraw/zinc/05/85/69/207058569.db2.gz XVIFZZGCCJWHHU-ARKGTOAJSA-N 0 0 354.359 -1.033 40 0 FAABRN CC(=O)Nc1ccccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O ZINC000004892668 207058005 /nfs/dbraw/zinc/05/80/05/207058005.db2.gz IWCWSRODNPRNLK-OTJKEOIZSA-N 0 0 354.359 -1.033 40 0 FAABRN CC(=O)Nc1ccccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O ZINC000004892669 482827837 /nfs/dbraw/zinc/82/78/37/482827837.db2.gz IWCWSRODNPRNLK-CQJMVSDSSA-N 0 0 354.359 -1.033 40 0 FAABRN CC(=O)Nc1ccccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000004892673 482827905 /nfs/dbraw/zinc/82/79/05/482827905.db2.gz IWCWSRODNPRNLK-ARKGTOAJSA-N 0 0 354.359 -1.033 40 0 FAABRN O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I ZINC000004897031 210079966 /nfs/dbraw/zinc/07/99/66/210079966.db2.gz RKSLVDIXBGWPIS-FJDLHZNMSA-N 0 0 370.099 -2.247 40 0 FAABRN O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I ZINC000004897032 483125582 /nfs/dbraw/zinc/12/55/82/483125582.db2.gz RKSLVDIXBGWPIS-LENIQADQSA-N 0 0 370.099 -2.247 40 0 FAABRN O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I ZINC000004897033 482532112 /nfs/dbraw/zinc/53/21/12/482532112.db2.gz RKSLVDIXBGWPIS-SKHQTKALSA-N 0 0 370.099 -2.247 40 0 FAABRN CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CN1c2ccccc2C(=O)C1=O ZINC000004974916 204181947 /nfs/dbraw/zinc/18/19/47/204181947.db2.gz YSNPVVWWGFVZSO-MYZSUADSSA-N 0 0 354.359 -2.459 40 0 FAABRN CN(C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CN1c2ccccc2C(=O)C1=O ZINC000004974917 482532898 /nfs/dbraw/zinc/53/28/98/482532898.db2.gz YSNPVVWWGFVZSO-RJZRQDKASA-N 0 0 354.359 -2.459 40 0 FAABRN CCS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O ZINC000004994340 207069101 /nfs/dbraw/zinc/06/91/01/207069101.db2.gz WVDINDKKBLECNG-CDPPZIPSSA-N 0 0 350.393 -2.467 40 0 FAABRN CCS[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O ZINC000004994341 219636006 /nfs/dbraw/zinc/63/60/06/219636006.db2.gz WVDINDKKBLECNG-SANCVJEGSA-N 0 0 350.393 -2.467 40 0 FAABRN CCS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O ZINC000004994342 482532066 /nfs/dbraw/zinc/53/20/66/482532066.db2.gz WVDINDKKBLECNG-OMHSBUABSA-N 0 0 350.393 -2.467 40 0 FAABRN CCS[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cc(C)c(=O)[nH]c1=O ZINC000004994344 204183506 /nfs/dbraw/zinc/18/35/06/204183506.db2.gz WVDINDKKBLECNG-APWOSFEXSA-N 0 0 350.393 -2.467 40 0 FAABRN CC(C)CCn1c(NCCO)nc2c1c(=O)n(CC(N)=O)c(=O)n2C ZINC000005252201 206690444 /nfs/dbraw/zinc/69/04/44/206690444.db2.gz IVWAGNPSRWKSJN-UHFFFAOYSA-N 0 0 352.395 -1.168 40 0 FAABRN CCOC(=O)Cn1c(N2CCN(C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000005313142 204202452 /nfs/dbraw/zinc/20/24/52/204202452.db2.gz QWRRHCSGWYSSRU-UHFFFAOYSA-N 0 0 350.379 -1.262 40 0 FAABRN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO ZINC000005338943 210615195 /nfs/dbraw/zinc/61/51/95/210615195.db2.gz ICCAXRYQUHEHDT-RQJABVFESA-N 0 0 350.320 -1.302 40 0 FAABRN CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO ZINC000005338946 207094091 /nfs/dbraw/zinc/09/40/91/207094091.db2.gz ICCAXRYQUHEHDT-SYQHCUMBSA-N 0 0 350.320 -1.302 40 0 FAABRN CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO ZINC000005338947 204202806 /nfs/dbraw/zinc/20/28/06/204202806.db2.gz ICCAXRYQUHEHDT-XJFOESAGSA-N 0 0 350.320 -1.302 40 0 FAABRN CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)CO ZINC000005338949 482534134 /nfs/dbraw/zinc/53/41/34/482534134.db2.gz ICCAXRYQUHEHDT-AAVRWANBSA-N 0 0 350.320 -1.302 40 0 FAABRN Nc1ncnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000005390312 482534375 /nfs/dbraw/zinc/53/43/75/482534375.db2.gz PCAZZGMLVCFODV-YWARTMNGSA-N 0 0 350.291 -2.845 40 0 FAABRN Nc1ncnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000005390313 204207656 /nfs/dbraw/zinc/20/76/56/204207656.db2.gz PCAZZGMLVCFODV-MQQQIBFLSA-N 0 0 350.291 -2.845 40 0 FAABRN Nc1ncnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000005390314 207098071 /nfs/dbraw/zinc/09/80/71/207098071.db2.gz PCAZZGMLVCFODV-YJMZUNRSSA-N 0 0 350.291 -2.845 40 0 FAABRN Nc1ncnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000005390315 482534497 /nfs/dbraw/zinc/53/44/97/482534497.db2.gz PCAZZGMLVCFODV-GTWRCXMXSA-N 0 0 350.291 -2.845 40 0 FAABRN COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)N1CCOCC1 ZINC000005398196 482713044 /nfs/dbraw/zinc/71/30/44/482713044.db2.gz GPKBCBAHJWQEFE-DGCLKSJQSA-N 0 0 370.406 -1.351 40 0 biogenic,in-vitro FAABRN NC(=O)CN1C(=O)[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCN2C1=O ZINC000005415715 482713387 /nfs/dbraw/zinc/71/33/87/482713387.db2.gz XOZHNFXSKHCNJM-JTQLQIEISA-N 0 0 360.326 -1.011 40 0 biogenic,in-vitro FAABRN NC(=O)CN1C(=O)[C@@H]2CN(S(=O)(=O)c3cccs3)CCN2C1=O ZINC000005415723 482713771 /nfs/dbraw/zinc/71/37/71/482713771.db2.gz YUBQMFWPMFSWRT-QMMMGPOBSA-N 0 0 358.401 -1.130 40 0 biogenic,in-vitro FAABRN CC(=O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005492479 263341756 /nfs/dbraw/zinc/34/17/56/263341756.db2.gz OTQJVHISAFFLMA-NOOOWODRSA-N 0 0 370.318 -1.456 40 0 FAABRN CC(=O)OC[C@@H]1O[C@@H](n2cnc(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005492480 263341615 /nfs/dbraw/zinc/34/16/15/263341615.db2.gz OTQJVHISAFFLMA-FIQHERPVSA-N 0 0 370.318 -1.456 40 0 FAABRN CN(C)C(=O)CO[C@H](C(=O)N(C)C)[C@H](OCC(=O)N(C)C)C(=O)N(C)C ZINC000005495753 482533791 /nfs/dbraw/zinc/53/37/91/482533791.db2.gz LEBLDRRGDILNAO-KBPBESRZSA-N 0 0 374.438 -1.890 40 0 FAABRN CN(C)C(=O)CO[C@@H](C(=O)N(C)C)[C@@H](OCC(=O)N(C)C)C(=O)N(C)C ZINC000005495756 210623744 /nfs/dbraw/zinc/62/37/44/210623744.db2.gz LEBLDRRGDILNAO-ZIAGYGMSSA-N 0 0 374.438 -1.890 40 0 FAABRN CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000005544824 482534032 /nfs/dbraw/zinc/53/40/32/482534032.db2.gz HBXJYTFPZSYZAQ-JFEMGPMLSA-N 0 0 360.323 -4.191 40 0 FAABRN CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000005544826 482534106 /nfs/dbraw/zinc/53/41/06/482534106.db2.gz HBXJYTFPZSYZAQ-YHZLNDEXSA-N 0 0 360.323 -4.191 40 0 FAABRN CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000005544830 207105579 /nfs/dbraw/zinc/10/55/79/207105579.db2.gz HBXJYTFPZSYZAQ-WCPLEAOBSA-N 0 0 360.323 -4.191 40 0 FAABRN CSc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000005546013 207104892 /nfs/dbraw/zinc/10/48/92/207104892.db2.gz ZQRNZCAZNTVNPW-DALOQIEPSA-N 0 0 359.364 -2.604 40 0 FAABRN CSc1nc2c(nc(N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000005546015 204214297 /nfs/dbraw/zinc/21/42/97/204214297.db2.gz ZQRNZCAZNTVNPW-NUPWSADLSA-N 0 0 359.364 -2.604 40 0 FAABRN C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21 ZINC000005601182 483329303 /nfs/dbraw/zinc/32/93/03/483329303.db2.gz VSJGJMKGNMDJCI-NHODSCEWSA-N 0 0 358.343 -1.592 40 0 FAABRN C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@H]21 ZINC000005601183 483329309 /nfs/dbraw/zinc/32/93/09/483329309.db2.gz VSJGJMKGNMDJCI-NYJHZRLTSA-N 0 0 358.343 -1.592 40 0 FAABRN C[C@@]1(O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2[C@H]1O ZINC000005640665 482534064 /nfs/dbraw/zinc/53/40/64/482534064.db2.gz HTWIJVQWHZWTDC-CQKJNYHOSA-N 0 0 355.307 -3.171 40 0 FAABRN C[C@]1(O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2[C@H]1O ZINC000005640666 204219665 /nfs/dbraw/zinc/21/96/65/204219665.db2.gz HTWIJVQWHZWTDC-DVYSRPGGSA-N 0 0 355.307 -3.171 40 0 FAABRN C[C@@]1(O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2[C@@H]1O ZINC000005640668 263343095 /nfs/dbraw/zinc/34/30/95/263343095.db2.gz HTWIJVQWHZWTDC-HMOKDFKSSA-N 0 0 355.307 -3.171 40 0 FAABRN C[C@]1(O)Nc2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2[C@@H]1O ZINC000005640670 207111347 /nfs/dbraw/zinc/11/13/47/207111347.db2.gz HTWIJVQWHZWTDC-HQZRTKMMSA-N 0 0 355.307 -3.171 40 0 FAABRN CS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1nc[nH]c2=S ZINC000005665529 482534447 /nfs/dbraw/zinc/53/44/47/482534447.db2.gz AUVGCMLFAQGIGP-RTRHYMQASA-N 0 0 362.433 -1.214 40 0 FAABRN CS[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1nc[nH]c2=S ZINC000005665530 219693204 /nfs/dbraw/zinc/69/32/04/219693204.db2.gz AUVGCMLFAQGIGP-PXYVEVNBSA-N 0 0 362.433 -1.214 40 0 FAABRN CS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1nc[nH]c2=S ZINC000005665531 482533972 /nfs/dbraw/zinc/53/39/72/482533972.db2.gz AUVGCMLFAQGIGP-KBLHZJELSA-N 0 0 362.433 -1.214 40 0 FAABRN CS[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1nc[nH]c2=S ZINC000005665532 482534060 /nfs/dbraw/zinc/53/40/60/482534060.db2.gz AUVGCMLFAQGIGP-DLUYVWRMSA-N 0 0 362.433 -1.214 40 0 FAABRN COC(=O)[C@@H]1C([C@@H](O)OC)[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000005675280 263342930 /nfs/dbraw/zinc/34/29/30/263342930.db2.gz NKPXXQQNLMLDTI-NQFSZNJGSA-N 0 0 362.331 -1.262 40 0 FAABRN COC(=O)[C@@H]1C([C@@H](O)OC)[C@H](C(=O)OC)[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000005675283 263343302 /nfs/dbraw/zinc/34/33/02/263343302.db2.gz NKPXXQQNLMLDTI-RKTZVYSMSA-N 0 0 362.331 -1.262 40 0 FAABRN COC(=O)[C@@H]1C([C@H](O)OC)[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000005675285 263343298 /nfs/dbraw/zinc/34/32/98/263343298.db2.gz NKPXXQQNLMLDTI-IJZVYLAISA-N 0 0 362.331 -1.262 40 0 FAABRN COC(=O)C[C@@]1(C(=O)OC)[C@H](C(=O)OC)[C@@H](C(=O)OC)N(C(C)=O)N1C ZINC000005707264 204222337 /nfs/dbraw/zinc/22/23/37/204222337.db2.gz GRSJKWUDYYPHJA-PGUXBMHVSA-N 0 0 374.346 -1.499 40 0 FAABRN COC(=O)C[C@@]1(C(=O)OC)[C@@H](C(=O)OC)[C@@H](C(=O)OC)N(C(C)=O)N1C ZINC000005707265 482533812 /nfs/dbraw/zinc/53/38/12/482533812.db2.gz GRSJKWUDYYPHJA-ZETOZRRWSA-N 0 0 374.346 -1.499 40 0 FAABRN COC(=O)C[C@@]1(C(=O)OC)[C@H](C(=O)OC)[C@H](C(=O)OC)N(C(C)=O)N1C ZINC000005707266 482533947 /nfs/dbraw/zinc/53/39/47/482533947.db2.gz GRSJKWUDYYPHJA-RWSFTLGLSA-N 0 0 374.346 -1.499 40 0 FAABRN CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000005723172 483689535 /nfs/dbraw/zinc/68/95/35/483689535.db2.gz OXTYJSXVUGJSGM-FCCZHNFCSA-N 0 0 353.335 -1.674 40 0 FAABRN CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000005723173 207113038 /nfs/dbraw/zinc/11/30/38/207113038.db2.gz OXTYJSXVUGJSGM-DUWABBFASA-N 0 0 353.335 -1.674 40 0 FAABRN CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000005723174 483689444 /nfs/dbraw/zinc/68/94/44/483689444.db2.gz OXTYJSXVUGJSGM-VPFIQFBESA-N 0 0 353.335 -1.674 40 0 FAABRN CCS(=O)(=O)C([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)CC ZINC000005732463 482534337 /nfs/dbraw/zinc/53/43/37/482534337.db2.gz PZZBGEZJRSVHLO-FNCVBFRFSA-N 0 0 350.411 -3.382 40 0 FAABRN CCS(=O)(=O)C([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)CC ZINC000005732467 210638496 /nfs/dbraw/zinc/63/84/96/210638496.db2.gz PZZBGEZJRSVHLO-BGZDPUMWSA-N 0 0 350.411 -3.382 40 0 FAABRN CCS(=O)(=O)C([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)CC ZINC000005732469 219696390 /nfs/dbraw/zinc/69/63/90/219696390.db2.gz PZZBGEZJRSVHLO-LURQLKTLSA-N 0 0 350.411 -3.382 40 0 FAABRN CCS(=O)(=O)C([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)S(=O)(=O)CC ZINC000005732472 204223782 /nfs/dbraw/zinc/22/37/82/204223782.db2.gz PZZBGEZJRSVHLO-HXFLIBJXSA-N 0 0 350.411 -3.382 40 0 FAABRN COc1nc(N[C@H]2O[C@@H](OC)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C ZINC000005759893 482533933 /nfs/dbraw/zinc/53/39/33/482533933.db2.gz KTMBIWVGBRTPKR-DVLJTBHHSA-N 0 0 359.335 -2.185 40 0 FAABRN COc1nc(N[C@@H]2O[C@@H](OC)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C ZINC000005759894 482533967 /nfs/dbraw/zinc/53/39/67/482533967.db2.gz KTMBIWVGBRTPKR-SHOJYFSJSA-N 0 0 359.335 -2.185 40 0 FAABRN COc1nc(N[C@H]2O[C@@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C ZINC000005759896 482534209 /nfs/dbraw/zinc/53/42/09/482534209.db2.gz KTMBIWVGBRTPKR-DJMODRDESA-N 0 0 359.335 -2.185 40 0 FAABRN COc1nc(N[C@@H]2O[C@@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C ZINC000005759897 204224890 /nfs/dbraw/zinc/22/48/90/204224890.db2.gz KTMBIWVGBRTPKR-SWIWVBGMSA-N 0 0 359.335 -2.185 40 0 FAABRN CSc1nc2c(nnn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000005760125 482533953 /nfs/dbraw/zinc/53/39/53/482533953.db2.gz SSFGJCYOSGSJLI-DCPHZCSOSA-N 0 0 359.364 -2.781 40 0 FAABRN CSc1nc2c(nnn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000005760127 482534236 /nfs/dbraw/zinc/53/42/36/482534236.db2.gz SSFGJCYOSGSJLI-JKHDZATESA-N 0 0 359.364 -2.781 40 0 FAABRN CSc1nc2c(nnn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000005760129 482534512 /nfs/dbraw/zinc/53/45/12/482534512.db2.gz SSFGJCYOSGSJLI-LFRLGQHFSA-N 0 0 359.364 -2.781 40 0 FAABRN CSc1nc2c(nnn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000005760131 207116592 /nfs/dbraw/zinc/11/65/92/207116592.db2.gz SSFGJCYOSGSJLI-QYPVHALMSA-N 0 0 359.364 -2.781 40 0 FAABRN COc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)n1C ZINC000005760549 207116074 /nfs/dbraw/zinc/11/60/74/207116074.db2.gz UYULNUFAZCMNPW-HCWSKCQFSA-N 0 0 366.168 -1.598 40 0 FAABRN COc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)n1C ZINC000005760550 204224341 /nfs/dbraw/zinc/22/43/41/204224341.db2.gz UYULNUFAZCMNPW-FJGDRVTGSA-N 0 0 366.168 -1.598 40 0 FAABRN COc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)n1C ZINC000005760552 482533803 /nfs/dbraw/zinc/53/38/03/482533803.db2.gz UYULNUFAZCMNPW-XNEQSKADSA-N 0 0 366.168 -1.598 40 0 FAABRN COc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)n1C ZINC000005760553 207115790 /nfs/dbraw/zinc/11/57/90/207115790.db2.gz UYULNUFAZCMNPW-AIKLKQDHSA-N 0 0 366.168 -1.598 40 0 FAABRN COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)n1C ZINC000005760742 482534026 /nfs/dbraw/zinc/53/40/26/482534026.db2.gz YMYAQYLZWWRCIC-BCROTXFESA-N 0 0 351.743 -2.346 40 0 FAABRN COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)n1C ZINC000005760743 482534435 /nfs/dbraw/zinc/53/44/35/482534435.db2.gz YMYAQYLZWWRCIC-HPBSYMDFSA-N 0 0 351.743 -2.346 40 0 FAABRN COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1C ZINC000005760744 207116046 /nfs/dbraw/zinc/11/60/46/207116046.db2.gz YMYAQYLZWWRCIC-DPWWFHJDSA-N 0 0 351.743 -2.346 40 0 FAABRN COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1C ZINC000005760745 482533679 /nfs/dbraw/zinc/53/36/79/482533679.db2.gz YMYAQYLZWWRCIC-BDYQZXKHSA-N 0 0 351.743 -2.346 40 0 FAABRN CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)n1C ZINC000005760750 204224201 /nfs/dbraw/zinc/22/42/01/204224201.db2.gz IETAPPVDKJBWJC-BCROTXFESA-N 0 0 367.811 -1.633 40 0 FAABRN CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)n1C ZINC000005760751 482534488 /nfs/dbraw/zinc/53/44/88/482534488.db2.gz IETAPPVDKJBWJC-HPBSYMDFSA-N 0 0 367.811 -1.633 40 0 FAABRN CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1C ZINC000005760752 482534230 /nfs/dbraw/zinc/53/42/30/482534230.db2.gz IETAPPVDKJBWJC-DPWWFHJDSA-N 0 0 367.811 -1.633 40 0 FAABRN CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)n1C ZINC000005760754 207116717 /nfs/dbraw/zinc/11/67/17/207116717.db2.gz IETAPPVDKJBWJC-BDYQZXKHSA-N 0 0 367.811 -1.633 40 0 FAABRN CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1C ZINC000005760811 482534349 /nfs/dbraw/zinc/53/43/49/482534349.db2.gz HMUIGLOADKXFNT-FNBUAPEOSA-N 0 0 361.376 -2.474 40 0 FAABRN CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1C ZINC000005760812 207115944 /nfs/dbraw/zinc/11/59/44/207115944.db2.gz HMUIGLOADKXFNT-UFFKNHFXSA-N 0 0 361.376 -2.474 40 0 FAABRN CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1C ZINC000005760814 482534258 /nfs/dbraw/zinc/53/42/58/482534258.db2.gz HMUIGLOADKXFNT-VPWVSVFPSA-N 0 0 361.376 -2.474 40 0 FAABRN CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1C ZINC000005760815 204224628 /nfs/dbraw/zinc/22/46/28/204224628.db2.gz HMUIGLOADKXFNT-OKZKDYFGSA-N 0 0 361.376 -2.474 40 0 FAABRN CCOC(=O)NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O ZINC000005807943 204225919 /nfs/dbraw/zinc/22/59/19/204225919.db2.gz RXVANWAGBRZRSN-RFOGZPIASA-N 0 0 359.291 -2.966 40 0 FAABRN CCOC(=O)NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O ZINC000005807944 482533747 /nfs/dbraw/zinc/53/37/47/482533747.db2.gz RXVANWAGBRZRSN-PRKAOEEVSA-N 0 0 359.291 -2.966 40 0 FAABRN CCOC(=O)NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000005807945 204225660 /nfs/dbraw/zinc/22/56/60/204225660.db2.gz RXVANWAGBRZRSN-PJFCORBGSA-N 0 0 359.291 -2.966 40 0 FAABRN CCOC(=O)NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O ZINC000005807946 207117259 /nfs/dbraw/zinc/11/72/59/207117259.db2.gz RXVANWAGBRZRSN-MCHASIABSA-N 0 0 359.291 -2.966 40 0 FAABRN O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OCc1ccccc1 ZINC000005811005 219699937 /nfs/dbraw/zinc/69/99/37/219699937.db2.gz ACWJNEMMZVDODA-JLNYLFASSA-N 0 0 350.327 -1.273 40 0 FAABRN O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OCc1ccccc1 ZINC000005811007 207118081 /nfs/dbraw/zinc/11/80/81/207118081.db2.gz ACWJNEMMZVDODA-KYEXWDHISA-N 0 0 350.327 -1.273 40 0 FAABRN O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OCc1ccccc1 ZINC000005811008 482534222 /nfs/dbraw/zinc/53/42/22/482534222.db2.gz ACWJNEMMZVDODA-XFMPKHEZSA-N 0 0 350.327 -1.273 40 0 FAABRN O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OCc1ccccc1 ZINC000005811010 482534180 /nfs/dbraw/zinc/53/41/80/482534180.db2.gz ACWJNEMMZVDODA-SFDCQRBFSA-N 0 0 350.327 -1.273 40 0 FAABRN CSc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000005812914 482533821 /nfs/dbraw/zinc/53/38/21/482533821.db2.gz FMYIGYIGNUAPIW-JFEMGPMLSA-N 0 0 358.376 -2.176 40 0 FAABRN CSc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000005812915 210642982 /nfs/dbraw/zinc/64/29/82/210642982.db2.gz FMYIGYIGNUAPIW-YHZLNDEXSA-N 0 0 358.376 -2.176 40 0 FAABRN CSc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000005812916 204225778 /nfs/dbraw/zinc/22/57/78/204225778.db2.gz FMYIGYIGNUAPIW-JJMVBFHUSA-N 0 0 358.376 -2.176 40 0 FAABRN CSc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000005812917 482534217 /nfs/dbraw/zinc/53/42/17/482534217.db2.gz FMYIGYIGNUAPIW-WCPLEAOBSA-N 0 0 358.376 -2.176 40 0 FAABRN COc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000005886009 204229813 /nfs/dbraw/zinc/22/98/13/204229813.db2.gz MGYXHYCKLVSISM-DCPHZCSOSA-N 0 0 357.323 -3.307 40 0 FAABRN COc1nc2c(nc(N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000005886013 204229770 /nfs/dbraw/zinc/22/97/70/204229770.db2.gz MGYXHYCKLVSISM-JKHDZATESA-N 0 0 357.323 -3.307 40 0 FAABRN CSc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000005886062 219703817 /nfs/dbraw/zinc/70/38/17/219703817.db2.gz HEHVKLAYARFKRH-DCPHZCSOSA-N 0 0 373.391 -2.594 40 0 FAABRN CSc1nc2c(nc(N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000005886067 207122331 /nfs/dbraw/zinc/12/23/31/207122331.db2.gz HEHVKLAYARFKRH-JKHDZATESA-N 0 0 373.391 -2.594 40 0 FAABRN C[NH2+]C[C@@H](O)[C@]1(O)[C@H](O)C(O)(O)[C@H](Oc2ccccc2)O[C@@H]1C(=O)[O-] ZINC000005996418 483329321 /nfs/dbraw/zinc/32/93/21/483329321.db2.gz BQSRWNRFUSHYFP-IGJDLRFWSA-N 0 0 359.331 -2.772 40 0 FAABRN COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2 ZINC000006018748 483004432 /nfs/dbraw/zinc/00/44/32/483004432.db2.gz PMBZSEOAOIYRMW-XFWGRBSCSA-N 0 0 357.315 -1.831 40 0 biogenic,in-vitro FAABRN O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2F)cc1I ZINC000006091017 482536099 /nfs/dbraw/zinc/53/60/99/482536099.db2.gz IPVFGAYTKQKGBM-UNGCPHIMSA-N 0 0 372.090 -1.270 40 0 FAABRN CCOC(=O)CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000006194862 482740334 /nfs/dbraw/zinc/74/03/34/482740334.db2.gz JCNDHLOJVDOZRH-UHFFFAOYSA-N 0 0 369.403 -1.258 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000006854844 482537620 /nfs/dbraw/zinc/53/76/20/482537620.db2.gz FKGIRENFNLSWQM-WGRAPJIFSA-N 0 0 362.140 -2.886 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000006854848 207173094 /nfs/dbraw/zinc/17/30/94/207173094.db2.gz FKGIRENFNLSWQM-IMVJXDEOSA-N 0 0 362.140 -2.886 40 0 FAABRN COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 ZINC000006905397 483705465 /nfs/dbraw/zinc/70/54/65/483705465.db2.gz WOKJFELXLJKULR-ADVQIIOHSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 ZINC000006905417 483705564 /nfs/dbraw/zinc/70/55/64/483705564.db2.gz WOKJFELXLJKULR-YTBGYOSVSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 ZINC000006905469 483705498 /nfs/dbraw/zinc/70/54/98/483705498.db2.gz WOKJFELXLJKULR-HAFSJTIUSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)cc1 ZINC000006905489 483705538 /nfs/dbraw/zinc/70/55/38/483705538.db2.gz WOKJFELXLJKULR-JAAXMTQOSA-N 0 0 355.343 -1.204 40 0 FAABRN COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]1O ZINC000008624383 483727779 /nfs/dbraw/zinc/72/77/79/483727779.db2.gz VCVHWVRZTSRGFG-QJRXBVQLSA-N 0 0 366.436 -1.948 40 0 biogenic,in-vitro FAABRN O=C(C[C@@H]1O[C@H](CNC(=O)N2CCOCC2)[C@@H](O)[C@H]1O)N1CCOCC1 ZINC000008643591 206216367 /nfs/dbraw/zinc/21/63/67/206216367.db2.gz NMCCCADMYKKGKY-MYZSUADSSA-N 0 0 373.406 -2.234 40 0 biogenic,in-vitro FAABRN O=C(C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O)N1CCOCC1 ZINC000008643593 209471343 /nfs/dbraw/zinc/47/13/43/209471343.db2.gz JVOCKHPEHYDCCZ-MYZSUADSSA-N 0 0 354.359 -1.253 40 0 biogenic,in-vitro FAABRN COC(=O)C[C@@H]1[C@@H]2[C@H](C(=O)OC)[C@H](C(=O)OC)ON2O[C@@H]1C(=O)OC ZINC000008686991 204338404 /nfs/dbraw/zinc/33/84/04/204338404.db2.gz FIJQHCWDUJPIMZ-BEKOTUFOSA-N 0 0 361.303 -1.401 40 0 FAABRN COC(=O)C[C@H]1[C@@H]2[C@H](C(=O)OC)[C@H](C(=O)OC)ON2O[C@@H]1C(=O)OC ZINC000008686992 483708461 /nfs/dbraw/zinc/70/84/61/483708461.db2.gz FIJQHCWDUJPIMZ-JWKFFPHGSA-N 0 0 361.303 -1.401 40 0 FAABRN COC(=O)C[C@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@H]12 ZINC000008686993 219865985 /nfs/dbraw/zinc/86/59/85/219865985.db2.gz FIJQHCWDUJPIMZ-VQFQEQAESA-N 0 0 361.303 -1.401 40 0 FAABRN COC(=O)C[C@@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@H]12 ZINC000008686994 204338980 /nfs/dbraw/zinc/33/89/80/204338980.db2.gz FIJQHCWDUJPIMZ-BOWXYFCWSA-N 0 0 361.303 -1.401 40 0 FAABRN CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H](OC(C)=O)[C@H]2O[C@@H]1n1ccc(=O)[nH]c1=O ZINC000008780919 483708491 /nfs/dbraw/zinc/70/84/91/483708491.db2.gz BEUXJRKCYAGSPH-SVNGYHJRSA-N 0 0 354.271 -1.777 40 0 biogenic,in-vitro FAABRN CC(=O)O[C@@H]1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](n3ccc(=O)[nH]c3=O)O[C@H]12 ZINC000008780920 204345796 /nfs/dbraw/zinc/34/57/96/204345796.db2.gz BEUXJRKCYAGSPH-HTFCKZLJSA-N 0 0 354.271 -1.777 40 0 biogenic,in-vitro FAABRN CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000009209165 207261187 /nfs/dbraw/zinc/26/11/87/207261187.db2.gz ULNYWSYTZHUVLX-AGSIJNCFSA-N 0 0 366.378 -2.517 40 0 FAABRN CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000009209166 207261451 /nfs/dbraw/zinc/26/14/51/207261451.db2.gz ULNYWSYTZHUVLX-CYFJXOGMSA-N 0 0 366.378 -2.517 40 0 FAABRN CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC000009209167 219876171 /nfs/dbraw/zinc/87/61/71/219876171.db2.gz ULNYWSYTZHUVLX-ZMZKGCHWSA-N 0 0 366.378 -2.517 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000009209378 203922762 /nfs/dbraw/zinc/92/27/62/203922762.db2.gz ASUCSHXLTWZYBA-LQCAPFFWSA-N 0 0 362.140 -1.924 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000009209380 204358715 /nfs/dbraw/zinc/35/87/15/204358715.db2.gz ASUCSHXLTWZYBA-MITLYWJASA-N 0 0 362.140 -1.924 40 0 FAABRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O ZINC000009329355 483731967 /nfs/dbraw/zinc/73/19/67/483731967.db2.gz MOPBYWJWMGGTCJ-IBOBGJODSA-N 0 0 351.352 -1.757 40 0 FAABRN Cn1c2ncn([C@H]3O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@H]3O)c2c(=O)n(C)c1=O ZINC000009975026 219889127 /nfs/dbraw/zinc/88/91/27/219889127.db2.gz FKLZXPBQHYRPLB-XTKNIRHUSA-N 0 0 355.307 -4.101 40 0 FAABRN Cn1c2ncn([C@@H]3O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@H]3O)c2c(=O)n(C)c1=O ZINC000009975027 207290900 /nfs/dbraw/zinc/29/09/00/207290900.db2.gz FKLZXPBQHYRPLB-ITMSDYGPSA-N 0 0 355.307 -4.101 40 0 FAABRN Cn1c2ncn([C@H]3O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]3O)c2c(=O)n(C)c1=O ZINC000009975028 219888387 /nfs/dbraw/zinc/88/83/87/219888387.db2.gz FKLZXPBQHYRPLB-WIGMVQFUSA-N 0 0 355.307 -4.101 40 0 FAABRN Cn1c2ncn([C@@H]3O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]3O)c2c(=O)n(C)c1=O ZINC000009975029 207291255 /nfs/dbraw/zinc/29/12/55/207291255.db2.gz FKLZXPBQHYRPLB-BISYPAIHSA-N 0 0 355.307 -4.101 40 0 FAABRN CSC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000011726799 482540919 /nfs/dbraw/zinc/54/09/19/482540919.db2.gz XKLZIVIOZDNKEQ-HJNBMHBWSA-N 0 0 361.445 -1.069 40 0 FAABRN CSC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000011726800 483188448 /nfs/dbraw/zinc/18/84/48/483188448.db2.gz XKLZIVIOZDNKEQ-FWCPINHQSA-N 0 0 361.445 -1.069 40 0 in-man FAABRN Nc1ncnc2c1nc(N1CCOCC1)n2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000012320722 219982439 /nfs/dbraw/zinc/98/24/39/219982439.db2.gz MRRXXEGKMDBWFH-PZWLIILKSA-N 0 0 352.351 -2.143 40 0 FAABRN COC(=O)c1ccccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000012342014 483690430 /nfs/dbraw/zinc/69/04/30/483690430.db2.gz OCTAXAHVUYMHBW-JHZZJYKESA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000012342015 483690119 /nfs/dbraw/zinc/69/01/19/483690119.db2.gz OCTAXAHVUYMHBW-YMSVYLFOSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000012342017 483690169 /nfs/dbraw/zinc/69/01/69/483690169.db2.gz OCTAXAHVUYMHBW-AQRJEWBLSA-N 0 0 355.343 -1.204 40 0 FAABRN COc1cc(C=O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000012342126 482763584 /nfs/dbraw/zinc/76/35/84/482763584.db2.gz DHSJSCKOXMSVNH-ARKGTOAJSA-N 0 0 355.343 -1.170 40 0 FAABRN COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000012342129 482763809 /nfs/dbraw/zinc/76/38/09/482763809.db2.gz DHSJSCKOXMSVNH-DGADGQDISA-N 0 0 355.343 -1.170 40 0 FAABRN COc1cc(C=O)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000012342130 206290226 /nfs/dbraw/zinc/29/02/26/206290226.db2.gz DHSJSCKOXMSVNH-LEOABGAYSA-N 0 0 355.343 -1.170 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000012378694 483691420 /nfs/dbraw/zinc/69/14/20/483691420.db2.gz ASUCSHXLTWZYBA-KBDBTLMNSA-N 0 0 362.140 -1.924 40 0 FAABRN CC1CCN(C(=O)C[C@@H]2O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]2O)CC1 ZINC000012603623 483712684 /nfs/dbraw/zinc/71/26/84/483712684.db2.gz QLRGIRZQLJMESU-UZGDPCLZSA-N 0 0 350.437 -1.327 40 0 biogenic,in-vitro FAABRN O=C(C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O)NCCN1CCOCC1 ZINC000012603923 206293780 /nfs/dbraw/zinc/29/37/80/206293780.db2.gz SRGQJTJULYVHLM-LQKXBSAESA-N 0 0 371.434 -2.160 40 0 biogenic,in-vitro FAABRN NC(=O)CN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C1=O ZINC000012605077 220013665 /nfs/dbraw/zinc/01/36/65/220013665.db2.gz JQHDZKDLHCHQKY-NSHDSACASA-N 0 0 370.362 -1.052 40 0 biogenic,in-vitro FAABRN CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)CC1 ZINC000012661595 220016999 /nfs/dbraw/zinc/01/69/99/220016999.db2.gz ULNYWSYTZHUVLX-GEEFMHANSA-N 0 0 366.378 -2.517 40 0 FAABRN CO[C@H]1O[C@@H](COC(=O)CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012880471 482764823 /nfs/dbraw/zinc/76/48/23/482764823.db2.gz NWZJNQQHMPANAH-AJTCFPGGSA-N 0 0 351.352 -1.492 40 0 FAABRN CO[C@H]1O[C@@H](COC(=O)CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000012880487 209574243 /nfs/dbraw/zinc/57/42/43/209574243.db2.gz NWZJNQQHMPANAH-IXLGGCIWSA-N 0 0 351.352 -1.492 40 0 FAABRN O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1I ZINC000012959021 482542768 /nfs/dbraw/zinc/54/27/68/482542768.db2.gz RKSLVDIXBGWPIS-NRFSWKIWSA-N 0 0 370.099 -2.247 40 0 FAABRN COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O ZINC000013424699 483713361 /nfs/dbraw/zinc/71/33/61/483713361.db2.gz CRSFLLTWRCYNNX-GDFYCBJMSA-N 0 0 370.310 -1.314 40 0 in-vitro FAABRN COc1cc2ccc(=O)oc2c(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1O ZINC000013424931 206302711 /nfs/dbraw/zinc/30/27/11/206302711.db2.gz CRSFLLTWRCYNNX-BKQKJWSFSA-N 0 0 370.310 -1.314 40 0 in-vitro FAABRN COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000013523085 483283790 /nfs/dbraw/zinc/28/37/90/483283790.db2.gz QJVXKWHHAMZTBY-CZZVJJMOSA-N 0 0 372.370 -1.112 40 0 FAABRN NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000013523524 482542466 /nfs/dbraw/zinc/54/24/66/482542466.db2.gz XNSAINXGIQZQOO-TUAOUCFPSA-N 0 0 362.390 -1.808 40 0 in-man FAABRN NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000013523529 482542512 /nfs/dbraw/zinc/54/25/12/482542512.db2.gz XNSAINXGIQZQOO-QJPTWQEYSA-N 0 0 362.390 -1.808 40 0 in-man FAABRN NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000013523533 482542369 /nfs/dbraw/zinc/54/23/69/482542369.db2.gz XNSAINXGIQZQOO-SDDRHHMPSA-N 0 0 362.390 -1.808 40 0 in-man FAABRN C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO ZINC000013524330 220070933 /nfs/dbraw/zinc/07/09/33/220070933.db2.gz GOSWTRUMMSCNCW-BAJUWZQUSA-N 0 0 351.363 -1.212 40 0 in-vitro FAABRN COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O ZINC000013540671 483144168 /nfs/dbraw/zinc/14/41/68/483144168.db2.gz CIYLTHWUJCCASO-APACUCGBSA-N 0 0 360.315 -1.634 40 0 FAABRN O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1I ZINC000013547843 482542492 /nfs/dbraw/zinc/54/24/92/482542492.db2.gz XQFRJNBWHJMXHO-FSDSQADBSA-N 0 0 354.100 -1.218 40 0 in-vitro FAABRN CC(C)C[C@H](NC(=O)[C@@H]1O[C@@H]1C(=O)[O-])C(=O)NCCCCNC(N)=[NH2+] ZINC000013719523 482575476 /nfs/dbraw/zinc/57/54/76/482575476.db2.gz LTLYEAJONXGNFG-AXFHLTTASA-N 0 0 357.411 -1.251 40 0 aggregator FAABRN C[C@@H](CO)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000013782061 482543335 /nfs/dbraw/zinc/54/33/35/482543335.db2.gz DBVVQDGIJAUEAZ-NENBDWHOSA-N 0 0 353.379 -1.132 40 0 in-vitro FAABRN OC[C@H]1O[C@H](n2cnc3c2ncnc3N[C@H]2CCC[C@@H]2O)[C@H](O)[C@@H]1O ZINC000013816293 482580587 /nfs/dbraw/zinc/58/05/87/482580587.db2.gz GYWXTRVEUURNEW-KOALMESCSA-N 0 0 351.363 -1.237 40 0 FAABRN C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)CO ZINC000014887408 220135215 /nfs/dbraw/zinc/13/52/15/220135215.db2.gz GOSWTRUMMSCNCW-ATEUHFCSSA-N 0 0 351.363 -1.212 40 0 endogenous,in-man FAABRN Cn1nnnc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000014943717 482586434 /nfs/dbraw/zinc/58/64/34/482586434.db2.gz ZESFKLNBURHOJL-UHFFFAOYSA-N 0 0 365.379 -1.775 40 0 FAABRN COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC ZINC000015251354 220150215 /nfs/dbraw/zinc/15/02/15/220150215.db2.gz QRWNMJBTANFMHA-ZWEPEPIOSA-N 0 0 374.342 -1.331 40 0 biogenic,in-vitro FAABRN COc1cc(C(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC ZINC000015251357 209593910 /nfs/dbraw/zinc/59/39/10/209593910.db2.gz QRWNMJBTANFMHA-SUNOKAMTSA-N 0 0 374.342 -1.331 40 0 biogenic,in-vitro FAABRN Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000015440409 482544417 /nfs/dbraw/zinc/54/44/17/482544417.db2.gz FKGIRENFNLSWQM-WNBDYICASA-N 0 0 362.140 -2.886 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000015440410 483691838 /nfs/dbraw/zinc/69/18/38/483691838.db2.gz FKGIRENFNLSWQM-POLWSVIISA-N 0 0 362.140 -2.886 40 0 FAABRN CC(=O)N1CCN(C(=O)c2cnccn2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1 ZINC000015709545 209598198 /nfs/dbraw/zinc/59/81/98/209598198.db2.gz YYUDAYORISRAJI-JSGCOSHPSA-N 0 0 374.401 -1.456 40 0 biogenic,in-vitro FAABRN C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[NH3+])C(=O)[O-] ZINC000015721338 482545144 /nfs/dbraw/zinc/54/51/44/482545144.db2.gz KFAHJBXSCMRXIA-RBXMUDONSA-N 0 0 359.383 -2.952 40 0 in-vitro FAABRN C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000015721475 211138073 /nfs/dbraw/zinc/13/80/73/211138073.db2.gz XXAUOPDVAKGRPR-VVULQXIFSA-N 0 0 373.410 -2.563 40 0 FAABRN Cn1nnnc1SC(C(=O)N1CCOCC1)C(=O)N1CCOCC1 ZINC000016363627 482546101 /nfs/dbraw/zinc/54/61/01/482546101.db2.gz TXNYHGNAVBCERQ-UHFFFAOYSA-N 0 0 356.408 -1.612 40 0 FAABRN Cn1cnnc1SC(C(=O)N1CCOCC1)C(=O)N1CCOCC1 ZINC000016382665 211161388 /nfs/dbraw/zinc/16/13/88/211161388.db2.gz KOXJGVUHFYYTIC-UHFFFAOYSA-N 0 0 355.420 -1.007 40 0 FAABRN NC(=O)C(Sc1nc2ccccc2n1C(C(N)=O)C(N)=O)C(N)=O ZINC000016545213 220186909 /nfs/dbraw/zinc/18/69/09/220186909.db2.gz OAWARIGBPNHCJY-UHFFFAOYSA-N 0 0 350.360 -2.021 40 0 FAABRN Nc1nc(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I ZINC000017044138 482547071 /nfs/dbraw/zinc/54/70/71/482547071.db2.gz LQQGJDJXUSAEMZ-SKHQTKALSA-N 0 0 369.115 -1.958 40 0 FAABRN Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1I ZINC000017044142 482546219 /nfs/dbraw/zinc/54/62/19/482546219.db2.gz LQQGJDJXUSAEMZ-GCJQMDKQSA-N 0 0 369.115 -1.958 40 0 FAABRN CC(=O)OC[C@H]1O[C@@H](n2cnc(N)nc2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017106637 211179250 /nfs/dbraw/zinc/17/92/50/211179250.db2.gz OTQJVHISAFFLMA-WISYIIOYSA-N 0 0 370.318 -1.456 40 0 in-vitro FAABRN Nc1nc2c(nc(N3CCCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000017106912 483691672 /nfs/dbraw/zinc/69/16/72/483691672.db2.gz TXVWMZVTUGZJQK-QRKAXHLRSA-N 0 0 352.351 -2.087 40 0 FAABRN CN(C)C(=O)CO[C@@H](C(=O)N(C)C)[C@H](OCC(=O)N(C)C)C(=O)N(C)C ZINC000017131068 211181310 /nfs/dbraw/zinc/18/13/10/211181310.db2.gz LEBLDRRGDILNAO-OKILXGFUSA-N 0 0 374.438 -1.890 40 0 FAABRN CC(C)C(=O)Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000017198130 483689825 /nfs/dbraw/zinc/68/98/25/483689825.db2.gz OXTYJSXVUGJSGM-WRNXMPKJSA-N 0 0 353.335 -1.674 40 0 FAABRN O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1I ZINC000017779640 211186650 /nfs/dbraw/zinc/18/66/50/211186650.db2.gz XQFRJNBWHJMXHO-LYFYHCNISA-N 0 0 354.100 -1.218 40 0 in-man FAABRN COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)C2C1[C@@H](C(=O)OC)C(=O)[C@H]2C(=O)OC ZINC000017885030 482547547 /nfs/dbraw/zinc/54/75/47/482547547.db2.gz SWCWCPQCKMRHID-IJABSKIDSA-N 0 0 370.310 -1.459 40 0 FAABRN Cn1c(SCC(=O)N2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000019289667 220247092 /nfs/dbraw/zinc/24/70/92/220247092.db2.gz OTQAIUGELSIYTP-UHFFFAOYSA-N 0 0 366.447 -1.163 40 0 FAABRN CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)CO)C2=O ZINC000019323149 483713913 /nfs/dbraw/zinc/71/39/13/483713913.db2.gz AAPGTVLJFQIDHP-YIBCYSADSA-N 0 0 356.463 -1.114 40 0 FAABRN CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)CO)C2=O ZINC000019323154 483713606 /nfs/dbraw/zinc/71/36/06/483713606.db2.gz AAPGTVLJFQIDHP-FIYFUKMKSA-N 0 0 356.463 -1.114 40 0 FAABRN CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=O ZINC000019323242 220249584 /nfs/dbraw/zinc/24/95/84/220249584.db2.gz AQRKTEPLGLVFHX-BMZDUEENSA-N 0 0 358.435 -2.245 40 0 FAABRN CCC12CN3CC(CC)(CN(C1)C3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O ZINC000019323243 220249192 /nfs/dbraw/zinc/24/91/92/220249192.db2.gz AQRKTEPLGLVFHX-FHIZKKCKSA-N 0 0 358.435 -2.245 40 0 FAABRN CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O ZINC000019323246 220250084 /nfs/dbraw/zinc/25/00/84/220250084.db2.gz AQRKTEPLGLVFHX-FCCBXXFTSA-N 0 0 358.435 -2.245 40 0 FAABRN CCCC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=O ZINC000019323279 220249925 /nfs/dbraw/zinc/24/99/25/220249925.db2.gz XZFAHZOLLZVOOP-BMZDUEENSA-N 0 0 358.435 -2.245 40 0 FAABRN CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O ZINC000019327778 220249484 /nfs/dbraw/zinc/24/94/84/220249484.db2.gz AAPGTVLJFQIDHP-RJDCIFIZSA-N 0 0 356.463 -1.114 40 0 FAABRN CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O ZINC000019331345 482781214 /nfs/dbraw/zinc/78/12/14/482781214.db2.gz AAPGTVLJFQIDHP-YITJKGPOSA-N 0 0 356.463 -1.114 40 0 FAABRN CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O ZINC000019331388 483690250 /nfs/dbraw/zinc/69/02/50/483690250.db2.gz AQRKTEPLGLVFHX-QWDOPKJRSA-N 0 0 358.435 -2.245 40 0 FAABRN CS(=O)(=O)NCC(=O)N1CCN(c2ncc3c(n2)CCOC3)CC1 ZINC000019573191 482548334 /nfs/dbraw/zinc/54/83/34/482548334.db2.gz CMOVBXCOSRJWEA-UHFFFAOYSA-N 0 0 355.420 -1.253 40 0 FAABRN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000020033655 482548823 /nfs/dbraw/zinc/54/88/23/482548823.db2.gz KNENUAARCSPFKD-UHFFFAOYSA-N 0 0 374.400 -1.502 40 0 FAABRN O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)c1ccccc1 ZINC000020464810 483715252 /nfs/dbraw/zinc/71/52/52/483715252.db2.gz BABXRCWGRWZVLN-FXUDXRNXSA-N 0 0 372.443 -1.214 40 0 biogenic,in-vitro FAABRN COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)CCc1ccccn1 ZINC000020465848 522764713 /nfs/dbraw/zinc/76/47/13/522764713.db2.gz MTCXZACNSIBIOC-YQFWSFKMSA-N 0 0 353.419 -1.192 40 0 biogenic,in-vitro FAABRN C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)CO ZINC000021985929 210172784 /nfs/dbraw/zinc/17/27/84/210172784.db2.gz GOSWTRUMMSCNCW-BGWMFQLOSA-N 0 0 351.363 -1.212 40 0 endogenous,in-man FAABRN C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)CO ZINC000021985931 220372313 /nfs/dbraw/zinc/37/23/13/220372313.db2.gz GOSWTRUMMSCNCW-SVOARWBNSA-N 0 0 351.363 -1.212 40 0 endogenous,in-man FAABRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000025075734 483221976 /nfs/dbraw/zinc/22/19/76/483221976.db2.gz MOPBYWJWMGGTCJ-UJUJDDPLSA-N 0 0 351.352 -1.757 40 0 FAABRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000025075741 482900176 /nfs/dbraw/zinc/90/01/76/482900176.db2.gz MOPBYWJWMGGTCJ-MZTHJMTDSA-N 0 0 351.352 -1.757 40 0 FAABRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000025075747 483221519 /nfs/dbraw/zinc/22/15/19/483221519.db2.gz MOPBYWJWMGGTCJ-IYNMKRSISA-N 0 0 351.352 -1.757 40 0 FAABRN C[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000025628216 482901581 /nfs/dbraw/zinc/90/15/81/482901581.db2.gz XXAUOPDVAKGRPR-SOYHJAILSA-N 0 0 373.410 -2.563 40 0 FAABRN C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)[O-] ZINC000025628224 263388950 /nfs/dbraw/zinc/38/89/50/263388950.db2.gz XXAUOPDVAKGRPR-RXKWGBCNSA-N 0 0 373.410 -2.563 40 0 FAABRN C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000025628231 482901839 /nfs/dbraw/zinc/90/18/39/482901839.db2.gz XXAUOPDVAKGRPR-HOTMZDKISA-N 0 0 373.410 -2.563 40 0 FAABRN C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)[NH3+])C(=O)[O-] ZINC000025628240 263388965 /nfs/dbraw/zinc/38/89/65/263388965.db2.gz XXAUOPDVAKGRPR-SQXHDICFSA-N 0 0 373.410 -2.563 40 0 FAABRN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000025664110 483187086 /nfs/dbraw/zinc/18/70/86/483187086.db2.gz KCLZXOUVOULMDP-COWZWYNKSA-N 0 0 370.358 -2.171 40 0 FAABRN CC(C)C[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)[O-])C(=O)NCCCCNC(N)=[NH2+] ZINC000028244802 482550599 /nfs/dbraw/zinc/55/05/99/482550599.db2.gz LTLYEAJONXGNFG-VWYCJHECSA-N 0 0 357.411 -1.251 40 0 in-vitro FAABRN COc1cc2oc(=O)ccc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031156113 220631730 /nfs/dbraw/zinc/63/17/30/220631730.db2.gz WBAVLTNIRYDCPM-YMILTQATSA-N 0 0 354.311 -1.020 40 0 biogenic,in-vitro FAABRN COc1cc2ccc(=O)oc2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000031167087 483723051 /nfs/dbraw/zinc/72/30/51/483723051.db2.gz RVWWDDKOKZXKCJ-ZOLYHUHESA-N 0 0 370.310 -1.314 40 0 biogenic,in-vitro FAABRN CSC[S@](=O)C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O ZINC000032011145 482557311 /nfs/dbraw/zinc/55/73/11/482557311.db2.gz XKLZIVIOZDNKEQ-LKOCBKRESA-N 0 0 361.445 -1.069 40 0 FAABRN COC(=O)c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 ZINC000033492104 482900609 /nfs/dbraw/zinc/90/06/09/482900609.db2.gz WOKJFELXLJKULR-JHZZJYKESA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 ZINC000033492106 482901484 /nfs/dbraw/zinc/90/14/84/482901484.db2.gz WOKJFELXLJKULR-YMSVYLFOSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 ZINC000033492107 482902451 /nfs/dbraw/zinc/90/24/51/482902451.db2.gz WOKJFELXLJKULR-AQRJEWBLSA-N 0 0 355.343 -1.204 40 0 FAABRN Nc1nc(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I ZINC000033906652 482562989 /nfs/dbraw/zinc/56/29/89/482562989.db2.gz LQQGJDJXUSAEMZ-FJDLHZNMSA-N 0 0 369.115 -1.958 40 0 FAABRN Nc1nc(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1I ZINC000033906654 482562792 /nfs/dbraw/zinc/56/27/92/482562792.db2.gz LQQGJDJXUSAEMZ-LENIQADQSA-N 0 0 369.115 -1.958 40 0 FAABRN C[NH+]1CCN(c2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000033923631 263397230 /nfs/dbraw/zinc/39/72/30/263397230.db2.gz AEGXQXAAFKOKMX-CYFJXOGMSA-N 0 0 365.394 -2.228 40 0 FAABRN COC(=O)[C@@H]1C([C@H](O)OC)[C@H](C(=O)OC)[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000035189688 263397634 /nfs/dbraw/zinc/39/76/34/263397634.db2.gz NKPXXQQNLMLDTI-BQNUHPOESA-N 0 0 362.331 -1.262 40 0 FAABRN CN1NC(=O)C(=O)N[C@H]1SCC1=C(C(=O)[O-])[C@H]2C(=O)[C@@H]([NH3+])[C@H]2SC1 ZINC000035565109 208129610 /nfs/dbraw/zinc/12/96/10/208129610.db2.gz YQOXEBPMLKJSDG-PSTABDFQSA-N 0 0 372.428 -1.881 40 0 FAABRN CN1NC(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@H]2C(=O)[C@@H]([NH3+])[C@H]2SC1 ZINC000035565110 482562165 /nfs/dbraw/zinc/56/21/65/482562165.db2.gz YQOXEBPMLKJSDG-HNPBVJADSA-N 0 0 372.428 -1.881 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000035622800 482562254 /nfs/dbraw/zinc/56/22/54/482562254.db2.gz FKGIRENFNLSWQM-UXDJRKLDSA-N 0 0 362.140 -2.886 40 0 FAABRN NC(=O)CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000036351100 207282912 /nfs/dbraw/zinc/28/29/12/207282912.db2.gz QFEIGUDKPOXIPM-UHFFFAOYSA-N 0 0 362.433 -1.874 40 0 FAABRN COc1cc(C(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc(OC)c1OC ZINC000036374591 482539322 /nfs/dbraw/zinc/53/93/22/482539322.db2.gz QRWNMJBTANFMHA-OSXOSPNDSA-N 0 0 374.342 -1.331 40 0 biogenic,in-vitro FAABRN COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc(OC)c1OC ZINC000036374594 207283071 /nfs/dbraw/zinc/28/30/71/207283071.db2.gz QRWNMJBTANFMHA-CQLYOCRWSA-N 0 0 374.342 -1.331 40 0 biogenic,in-vitro FAABRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000036511660 205016277 /nfs/dbraw/zinc/01/62/77/205016277.db2.gz MOPBYWJWMGGTCJ-DWOGUGJQSA-N 0 0 351.352 -1.757 40 0 FAABRN CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O ZINC000038231044 211699624 /nfs/dbraw/zinc/69/96/24/211699624.db2.gz RPULCYXEYODQOG-AKAIJSEGSA-N 0 0 367.362 -1.020 40 0 FAABRN C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000039797810 482766582 /nfs/dbraw/zinc/76/65/82/482766582.db2.gz SHKGHIFSEAGTNL-ZMLRMANQSA-N 0 0 354.411 -1.517 40 0 FAABRN C[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-] ZINC000039945456 482550393 /nfs/dbraw/zinc/55/03/93/482550393.db2.gz XXAUOPDVAKGRPR-JDDHQFAOSA-N 0 0 373.410 -2.563 40 0 FAABRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@](N)(O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000039957148 210044036 /nfs/dbraw/zinc/04/40/36/210044036.db2.gz BUKXJSYNMMTYQK-RKQHYHRCSA-N 0 0 363.319 -1.652 40 0 FAABRN CS(=O)(=O)c1ccc(CN2C[C@@H]3[C@H](C2)OCC(=O)N3CC(N)=O)cc1 ZINC000067897709 211122898 /nfs/dbraw/zinc/12/28/98/211122898.db2.gz FMJPONCSWFMJHG-KGLIPLIRSA-N 0 0 367.427 -1.013 40 0 biogenic,in-vitro FAABRN CNC(=O)NC(=O)CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1 ZINC000071195236 221335672 /nfs/dbraw/zinc/33/56/72/221335672.db2.gz XCCKIHPFGOSIAR-UHFFFAOYSA-N 0 0 354.348 -1.290 40 0 FAABRN C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO ZINC000071404971 221346917 /nfs/dbraw/zinc/34/69/17/221346917.db2.gz GOSWTRUMMSCNCW-PANGGGJFSA-N 0 0 351.363 -1.212 40 0 FAABRN C/C(=C\CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)CO ZINC000071789746 205447934 /nfs/dbraw/zinc/44/79/34/205447934.db2.gz GOSWTRUMMSCNCW-GPTCUSJASA-N 0 0 351.363 -1.212 40 0 in-vitro FAABRN Cc1cc(=O)oc2cc(OC(=O)[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 ZINC000071792252 221376525 /nfs/dbraw/zinc/37/65/25/221376525.db2.gz JDLWQVUSJZOVRG-VQJWOFKYSA-N 0 0 352.295 -1.193 40 0 FAABRN O=NN1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000077311883 571207346 /nfs/dbraw/zinc/20/73/46/571207346.db2.gz PSNAJRIZSDTBSS-ARFNZGECSA-O 0 0 354.339 -1.143 40 0 in-vitro FAABRN COC(=O)CCc1ccc(OC)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913658 291019130 /nfs/dbraw/zinc/01/91/30/291019130.db2.gz MTRNLFDSILFHHT-USACIQFYSA-N 0 0 372.370 -1.021 40 0 biogenic,in-vitro FAABRN CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 ZINC000096049887 482648108 /nfs/dbraw/zinc/64/81/08/482648108.db2.gz GQSDILLIBAKSEC-AWEZNQCLSA-N 0 0 356.404 -1.020 40 0 FAABRN CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 ZINC000096049888 222001655 /nfs/dbraw/zinc/00/16/55/222001655.db2.gz GQSDILLIBAKSEC-CQSZACIVSA-N 0 0 356.404 -1.020 40 0 FAABRN CS(=O)(=O)N1CCN2C[C@H](C(=O)[O-])CN(c3ncccn3)C[C@@H]2C1 ZINC000096092131 222020251 /nfs/dbraw/zinc/02/02/51/222020251.db2.gz UKRXQDSWQCGMAL-NWDGAFQWSA-N 0 0 355.420 -1.057 40 0 FAABRN CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2N1S(C)(=O)=O ZINC000096182871 209131524 /nfs/dbraw/zinc/13/15/24/209131524.db2.gz YVXMHIXWKXOUDZ-JLLWLGSASA-N 0 0 353.404 -1.303 40 0 FAABRN COCCn1c(N2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000096306454 222113762 /nfs/dbraw/zinc/11/37/62/222113762.db2.gz VSUJCJZUIAJLDI-UHFFFAOYSA-N 0 0 366.422 -1.806 40 0 FAABRN COC(=O)[C@H](C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000096306544 209150191 /nfs/dbraw/zinc/15/01/91/209150191.db2.gz MYHCNGGUPXHGNB-VIFPVBQESA-N 0 0 351.363 -1.011 40 0 FAABRN COC(=O)[C@@H](C)n1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000096306545 222113159 /nfs/dbraw/zinc/11/31/59/222113159.db2.gz MYHCNGGUPXHGNB-SECBINFHSA-N 0 0 351.363 -1.011 40 0 FAABRN C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)[O-] ZINC000100655939 482730866 /nfs/dbraw/zinc/73/08/66/482730866.db2.gz XXAUOPDVAKGRPR-SRQGCSHVSA-N 0 0 373.410 -2.563 40 0 FAABRN CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C2=O ZINC000101055173 222261300 /nfs/dbraw/zinc/26/13/00/222261300.db2.gz AQRKTEPLGLVFHX-DFHCBOBTSA-N 0 0 358.435 -2.245 40 0 FAABRN CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O ZINC000101055176 222261075 /nfs/dbraw/zinc/26/10/75/222261075.db2.gz AQRKTEPLGLVFHX-QELFDELTSA-N 0 0 358.435 -2.245 40 0 FAABRN COC(=O)C[C@@H]1[C@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]12 ZINC000102685880 222303353 /nfs/dbraw/zinc/30/33/53/222303353.db2.gz FIJQHCWDUJPIMZ-WAWIWLGASA-N 0 0 361.303 -1.401 40 0 FAABRN COC(=O)C[C@H]1[C@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]12 ZINC000102685883 209239460 /nfs/dbraw/zinc/23/94/60/209239460.db2.gz FIJQHCWDUJPIMZ-WVTGURRWSA-N 0 0 361.303 -1.401 40 0 FAABRN COC(=O)C[C@@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]12 ZINC000102685885 209239976 /nfs/dbraw/zinc/23/99/76/209239976.db2.gz FIJQHCWDUJPIMZ-RPQMDJCFSA-N 0 0 361.303 -1.401 40 0 FAABRN COC(=O)C[C@H]1[C@@H](C(=O)OC)ON2O[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]12 ZINC000102685886 222303465 /nfs/dbraw/zinc/30/34/65/222303465.db2.gz FIJQHCWDUJPIMZ-RPJMYOHSSA-N 0 0 361.303 -1.401 40 0 FAABRN Nc1nc2c(nc(N3CCCC3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000105370134 482741076 /nfs/dbraw/zinc/74/10/76/482741076.db2.gz TXVWMZVTUGZJQK-NNXMZFEESA-N 0 0 352.351 -1.674 40 0 FAABRN Nc1nc2c(nc(N3CCCC3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000105370136 482740404 /nfs/dbraw/zinc/74/04/04/482740404.db2.gz TXVWMZVTUGZJQK-IQEPQDSISA-N 0 0 352.351 -1.674 40 0 FAABRN CC(=O)[C@@H](O)[C@H]1O[C@@H](n2cnc(N)nc2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O ZINC000116166453 571321963 /nfs/dbraw/zinc/32/19/63/571321963.db2.gz XLVFYWQZEYSISB-BEDWUZKKSA-N 0 0 370.318 -3.292 40 0 FAABRN CC(=O)[C@H](O)[C@H]1O[C@@H](n2cnc(N)nc2=O)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=O ZINC000116166456 571321992 /nfs/dbraw/zinc/32/19/92/571321992.db2.gz XLVFYWQZEYSISB-FUZZQYOASA-N 0 0 370.318 -3.292 40 0 FAABRN O=CN(CCN(C=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000217392526 209656436 /nfs/dbraw/zinc/65/64/36/209656436.db2.gz GONLWBBZUWFJPE-VXGBXAGGSA-N 0 0 352.434 -1.723 40 0 FAABRN O=CN(CCN(C=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000217392591 482682077 /nfs/dbraw/zinc/68/20/77/482682077.db2.gz GONLWBBZUWFJPE-TXEJJXNPSA-N 0 0 352.434 -1.723 40 0 FAABRN O=CN(CCN(C=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000217392676 483722669 /nfs/dbraw/zinc/72/26/69/483722669.db2.gz GONLWBBZUWFJPE-RYUDHWBXSA-N 0 0 352.434 -1.723 40 0 FAABRN CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000222352905 482955785 /nfs/dbraw/zinc/95/57/85/482955785.db2.gz MVUGFPZSODNQEX-XHJNMGKDSA-N 0 0 370.358 -1.215 40 0 FAABRN CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000222352960 482955904 /nfs/dbraw/zinc/95/59/04/482955904.db2.gz MVUGFPZSODNQEX-IKOXMDCHSA-N 0 0 370.358 -1.215 40 0 FAABRN COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccn3)C2)C1=O ZINC000225383121 483708993 /nfs/dbraw/zinc/70/89/93/483708993.db2.gz UTRRJPXXIVHXJP-KGLIPLIRSA-N 0 0 374.397 -1.387 40 0 biogenic,in-vitro FAABRN COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1=O ZINC000225383165 483708838 /nfs/dbraw/zinc/70/88/38/483708838.db2.gz IQRUXFKJCKCFBF-KGLIPLIRSA-N 0 0 374.397 -1.387 40 0 biogenic,in-vitro FAABRN COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccncc3)C2)C1=O ZINC000225383215 483708831 /nfs/dbraw/zinc/70/88/31/483708831.db2.gz RZPUDKXHLHWUBB-KGLIPLIRSA-N 0 0 374.397 -1.387 40 0 biogenic,in-vitro FAABRN COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1=O ZINC000225383251 483709062 /nfs/dbraw/zinc/70/90/62/483709062.db2.gz YNLZSMONZTVONC-OLZOCXBDSA-N 0 0 367.402 -1.803 40 0 biogenic,in-vitro FAABRN COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccoc3)C2)C1=O ZINC000225387301 483708570 /nfs/dbraw/zinc/70/85/70/483708570.db2.gz HNNKPBWQTNHTOS-OLZOCXBDSA-N 0 0 363.370 -1.189 40 0 biogenic,in-vitro FAABRN CN1CC2(C1)C(=O)N(CCCN1CCCC1=O)C(=O)[C@@H]1C[C@@H](O)CN12 ZINC000225393923 483709045 /nfs/dbraw/zinc/70/90/45/483709045.db2.gz XSTNWGBHXWHDDD-OLZOCXBDSA-N 0 0 350.419 -1.513 40 0 biogenic,in-vitro FAABRN CS(=O)(=O)N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O ZINC000225500084 483712649 /nfs/dbraw/zinc/71/26/49/483712649.db2.gz DULAMFBWFWBSJQ-OXHZDVMGSA-N 0 0 353.404 -1.000 40 0 biogenic,in-vitro FAABRN CN(C)Cc1cn(C[C@H]2C[C@@H](NC(=O)c3cnccn3)[C@H](O)[C@@H]2O)nn1 ZINC000225509591 483712274 /nfs/dbraw/zinc/71/22/74/483712274.db2.gz HZNATIXUUSBOQR-LTZCYQRMSA-N 0 0 361.406 -1.330 40 0 biogenic,in-vitro FAABRN CC(C)S(=O)(=O)N[C@@H]1C[C@H](Cn2cc(CN(C)C)nn2)[C@@H](O)[C@H]1O ZINC000225510172 483712366 /nfs/dbraw/zinc/71/23/66/483712366.db2.gz PYCCJZFVFXUMEJ-ZRJCITRHSA-N 0 0 361.468 -1.222 40 0 biogenic,in-vitro FAABRN COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238741190 483387758 /nfs/dbraw/zinc/38/77/58/483387758.db2.gz SGTCGCCQZOUMJJ-HVQZGBDUSA-N 0 0 354.311 -1.020 40 0 FAABRN COc1cc2ccc(=O)oc2c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238753031 483387391 /nfs/dbraw/zinc/38/73/91/483387391.db2.gz RVWWDDKOKZXKCJ-IEYAYZOXSA-N 0 0 370.310 -1.314 40 0 FAABRN COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1 ZINC000242701758 483724040 /nfs/dbraw/zinc/72/40/40/483724040.db2.gz WOKJFELXLJKULR-USRAEIGSSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)cc1 ZINC000242701759 483724125 /nfs/dbraw/zinc/72/41/25/483724125.db2.gz WOKJFELXLJKULR-WZYWGQKZSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1 ZINC000242701860 483724449 /nfs/dbraw/zinc/72/44/49/483724449.db2.gz WOKJFELXLJKULR-XSEXMBABSA-N 0 0 355.343 -1.204 40 0 FAABRN COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 ZINC000242701861 483724460 /nfs/dbraw/zinc/72/44/60/483724460.db2.gz WOKJFELXLJKULR-XYFZXANASA-N 0 0 355.343 -1.204 40 0 FAABRN CN1NC(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@@H]2C(=O)[C@H]([NH3+])[C@@H]2SC1 ZINC000245224554 483362199 /nfs/dbraw/zinc/36/21/99/483362199.db2.gz YQOXEBPMLKJSDG-HQSAUTQVSA-N 0 0 372.428 -1.041 40 0 FAABRN CN1NC(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@@H]2C(=O)[C@H]([NH3+])[C@H]2SC1 ZINC000245224555 483361955 /nfs/dbraw/zinc/36/19/55/483361955.db2.gz YQOXEBPMLKJSDG-ICKFKABQSA-N 0 0 372.428 -1.041 40 0 FAABRN CN1NC(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@@H]2C(=O)[C@@H]([NH3+])[C@H]2SC1 ZINC000245224556 483362327 /nfs/dbraw/zinc/36/23/27/483362327.db2.gz YQOXEBPMLKJSDG-SUVHFNJVSA-N 0 0 372.428 -1.041 40 0 FAABRN CN1NC(=O)C(=O)N[C@@H]1SCC1=C(C(=O)[O-])[C@@H]2C(=O)[C@@H]([NH3+])[C@@H]2SC1 ZINC000245224557 483361564 /nfs/dbraw/zinc/36/15/64/483361564.db2.gz YQOXEBPMLKJSDG-UHXVNSHHSA-N 0 0 372.428 -1.041 40 0 FAABRN COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)C12[C@H](C(=O)OC)C(=O)[C@H]2C(=O)OC ZINC000245239208 483528795 /nfs/dbraw/zinc/52/87/95/483528795.db2.gz GLACKWQUYBCIJX-XAMCCFCMSA-N 0 0 356.283 -1.705 40 0 FAABRN CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC000245377380 521745851 /nfs/dbraw/zinc/74/58/51/521745851.db2.gz KIJMKINONVYUTA-GRYCIOLGSA-N 0 0 356.423 -1.591 40 0 FAABRN CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCC(=O)N1 ZINC000245377381 521745848 /nfs/dbraw/zinc/74/58/48/521745848.db2.gz KIJMKINONVYUTA-WOPDTQHZSA-N 0 0 356.423 -1.591 40 0 FAABRN CS(=O)(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)N1CCOCC1)CO2 ZINC000247561464 482952967 /nfs/dbraw/zinc/95/29/67/482952967.db2.gz YXTOPLFMQAXUPM-AWEZNQCLSA-N 0 0 373.475 -1.030 40 0 FAABRN CS(=O)(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N1CCOCC1)CO2 ZINC000247561471 222948487 /nfs/dbraw/zinc/94/84/87/222948487.db2.gz YXTOPLFMQAXUPM-CQSZACIVSA-N 0 0 373.475 -1.030 40 0 FAABRN CNC(=O)[C@H]1COC2(CN(C(=O)CCS(C)(=O)=O)C2)CN1CC1CC1 ZINC000247952897 482954126 /nfs/dbraw/zinc/95/41/26/482954126.db2.gz MQKLYYZLSZPBLY-CYBMUJFWSA-N 0 0 373.475 -1.141 40 0 FAABRN CNC(=O)[C@@H]1COC2(CN(C(=O)CCS(C)(=O)=O)C2)CN1CC1CC1 ZINC000247952901 482954444 /nfs/dbraw/zinc/95/44/44/482954444.db2.gz MQKLYYZLSZPBLY-ZDUSSCGKSA-N 0 0 373.475 -1.141 40 0 FAABRN CNC(=O)[C@H]1COC2(CN(C(=O)CS(C)(=O)=O)C2)CN1CC1CC1 ZINC000247985237 206567072 /nfs/dbraw/zinc/56/70/72/206567072.db2.gz YRCUXZHBZOTZIO-GFCCVEGCSA-N 0 0 359.448 -1.531 40 0 FAABRN CNC(=O)[C@@H]1COC2(CN(C(=O)CS(C)(=O)=O)C2)CN1CC1CC1 ZINC000247985242 482954464 /nfs/dbraw/zinc/95/44/64/482954464.db2.gz YRCUXZHBZOTZIO-LBPRGKRZSA-N 0 0 359.448 -1.531 40 0 FAABRN Cn1c2ncn([C@@H]3O[C@H]([C@H](O)C(N)=O)[C@H](O)[C@@H]3O)c2c(=O)n(C)c1=O ZINC000248013234 482955114 /nfs/dbraw/zinc/95/51/14/482955114.db2.gz FKLZXPBQHYRPLB-LGGPFIHHSA-N 0 0 355.307 -4.101 40 0 FAABRN Cn1c2ncn([C@@H]3O[C@H]([C@H](O)C(N)=O)[C@@H](O)[C@H]3O)c2c(=O)n(C)c1=O ZINC000248013238 482954320 /nfs/dbraw/zinc/95/43/20/482954320.db2.gz FKLZXPBQHYRPLB-LXTKAPGASA-N 0 0 355.307 -4.101 40 0 FAABRN Cn1c2ncn([C@@H]3O[C@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]3O)c2c(=O)n(C)c1=O ZINC000248013242 482954523 /nfs/dbraw/zinc/95/45/23/482954523.db2.gz FKLZXPBQHYRPLB-MMQYEVHWSA-N 0 0 355.307 -4.101 40 0 FAABRN Cn1c2ncn([C@@H]3O[C@H]([C@H](O)C(N)=O)[C@H](O)[C@H]3O)c2c(=O)n(C)c1=O ZINC000248013245 222958044 /nfs/dbraw/zinc/95/80/44/222958044.db2.gz FKLZXPBQHYRPLB-UPIAJVPPSA-N 0 0 355.307 -4.101 40 0 FAABRN COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(O)c1OC ZINC000253529510 522172384 /nfs/dbraw/zinc/17/23/84/522172384.db2.gz CXFDTBRNJQYDLK-HJHSNUOESA-N 0 0 360.315 -1.634 40 0 biogenic,in-vitro FAABRN COc1cc(C(=O)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(O)c1OC ZINC000253529511 522170884 /nfs/dbraw/zinc/17/08/84/522170884.db2.gz CXFDTBRNJQYDLK-QKZHPOIUSA-N 0 0 360.315 -1.634 40 0 biogenic,in-vitro FAABRN COc1cc(C(=O)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC ZINC000253532277 522170765 /nfs/dbraw/zinc/17/07/65/522170765.db2.gz QRWNMJBTANFMHA-CQUYNDQOSA-N 0 0 374.342 -1.331 40 0 biogenic,in-vitro FAABRN COc1cc(C(=O)O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC ZINC000253532278 522172569 /nfs/dbraw/zinc/17/25/69/522172569.db2.gz QRWNMJBTANFMHA-DJUFWWRVSA-N 0 0 374.342 -1.331 40 0 biogenic,in-vitro FAABRN O=C1NCN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c2nc(N3CCCCC3)[nH]c21 ZINC000253562801 483625166 /nfs/dbraw/zinc/62/51/66/483625166.db2.gz DSLPRQCDUZWKAY-GCDPNZCJSA-N 0 0 353.379 -1.654 40 0 FAABRN O=C1NCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N3CCCCC3)[nH]c21 ZINC000253562802 483624764 /nfs/dbraw/zinc/62/47/64/483624764.db2.gz DSLPRQCDUZWKAY-IDTAVKCVSA-N 0 0 353.379 -1.654 40 0 FAABRN O=C1NCN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2nc(N3CCCCC3)[nH]c21 ZINC000253562803 483625315 /nfs/dbraw/zinc/62/53/15/483625315.db2.gz DSLPRQCDUZWKAY-JMLLCIOISA-N 0 0 353.379 -1.654 40 0 FAABRN O=C1NCN([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c2nc(N3CCCCC3)[nH]c21 ZINC000253562804 483624954 /nfs/dbraw/zinc/62/49/54/483624954.db2.gz DSLPRQCDUZWKAY-RTOGKPCTSA-N 0 0 353.379 -1.654 40 0 FAABRN Nc1nc2c(c(=O)[nH]1)N[C@@H](N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000254743642 482703785 /nfs/dbraw/zinc/70/37/85/482703785.db2.gz AUVZLGWMRNNVLR-AXHNKSDFSA-N 0 0 368.394 -1.795 40 0 FAABRN Nc1nc2c(c(=O)[nH]1)N[C@H](N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000254743643 482703416 /nfs/dbraw/zinc/70/34/16/482703416.db2.gz AUVZLGWMRNNVLR-JZYCKWHBSA-N 0 0 368.394 -1.795 40 0 FAABRN Nc1nc2c(c(=O)[nH]1)N[C@@H](N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000254743644 482704550 /nfs/dbraw/zinc/70/45/50/482704550.db2.gz AUVZLGWMRNNVLR-PPDNFWOQSA-N 0 0 368.394 -1.795 40 0 FAABRN Nc1nc2c(c(=O)[nH]1)N[C@H](N1CCCCC1)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000254743645 482704594 /nfs/dbraw/zinc/70/45/94/482704594.db2.gz AUVZLGWMRNNVLR-YGSFWNEXSA-N 0 0 368.394 -1.795 40 0 FAABRN CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC000254771423 482704272 /nfs/dbraw/zinc/70/42/72/482704272.db2.gz MVUGFPZSODNQEX-MBJXGIAVSA-N 0 0 370.358 -1.215 40 0 FAABRN CCOC(=O)c1ccc(NC(=O)N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000254771424 482704091 /nfs/dbraw/zinc/70/40/91/482704091.db2.gz MVUGFPZSODNQEX-XVIXHAIJSA-N 0 0 370.358 -1.215 40 0 FAABRN COc1cc2ccc(=O)oc2c(O)c1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257198426 482703801 /nfs/dbraw/zinc/70/38/01/482703801.db2.gz RVWWDDKOKZXKCJ-JSIFIVKGSA-N 0 0 370.310 -1.314 40 0 FAABRN CS(=O)(=O)NC[C@]1(O)CCN(C(=O)CC2CCOCC2)C[C@H]1O ZINC000257200253 482961264 /nfs/dbraw/zinc/96/12/64/482961264.db2.gz ACORJEGLCBVMLE-TZMCWYRMSA-N 0 0 350.437 -1.323 40 0 FAABRN C[C@@]1(O)CCN(C(=O)CN2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257205431 223018897 /nfs/dbraw/zinc/01/88/97/223018897.db2.gz AYZVYNIFWCGAIV-MLGOLLRUSA-N 0 0 352.391 -1.195 40 0 FAABRN CS(=O)(=O)NC[C@]1(O)CCN(CC(=O)N2CCOCC2)C[C@H]1O ZINC000257207802 482961342 /nfs/dbraw/zinc/96/13/42/482961342.db2.gz BJIBXTILWRGKBC-DGCLKSJQSA-N 0 0 351.425 -2.808 40 0 FAABRN Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257208561 482961935 /nfs/dbraw/zinc/96/19/35/482961935.db2.gz BMQVVDIULPJUPQ-JTNHKYCSSA-N 0 0 357.436 -1.669 40 0 FAABRN CC(=O)NC[C@@]1(O)COCCN(C(=O)Cc2c(C)nc(N)nc2C)C1 ZINC000257208690 526784227 /nfs/dbraw/zinc/78/42/27/526784227.db2.gz BNFPZTSSOXUIFL-INIZCTEOSA-N 0 0 351.407 -1.056 40 0 FAABRN CC(=O)NC[C@]1(O)COCCN(C(=O)Cc2c(C)nc(N)nc2C)C1 ZINC000257208691 526797541 /nfs/dbraw/zinc/79/75/41/526797541.db2.gz BNFPZTSSOXUIFL-MRXNPFEDSA-N 0 0 351.407 -1.056 40 0 FAABRN Cn1c2ncn([C@@H]3CCN(CC(N)=O)C[C@@]3(C)O)c2c(=O)n(C)c1=O ZINC000257210626 482961421 /nfs/dbraw/zinc/96/14/21/482961421.db2.gz BVMJWRQNQNSKEM-RFAUZJTJSA-N 0 0 350.379 -2.083 40 0 FAABRN C[C@@]1(O)CN(CC(=O)N2CCOCC2)CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257218530 223025080 /nfs/dbraw/zinc/02/50/80/223025080.db2.gz DDLZMPBCIJLEAQ-MLGOLLRUSA-N 0 0 352.391 -1.195 40 0 FAABRN CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CNS(C)(=O)=O ZINC000257223357 132295126 /nfs/dbraw/zinc/29/51/26/132295126.db2.gz DWZCOIZUJHZPML-AWEZNQCLSA-N 0 0 357.436 -1.185 40 0 FAABRN CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CNS(C)(=O)=O ZINC000257223358 132295088 /nfs/dbraw/zinc/29/50/88/132295088.db2.gz DWZCOIZUJHZPML-CQSZACIVSA-N 0 0 357.436 -1.185 40 0 FAABRN O=C(CCCn1cncn1)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257227770 534392181 /nfs/dbraw/zinc/39/21/81/534392181.db2.gz FQUPANURVXXGOV-XJKCOSOUSA-N 0 0 350.423 -1.112 40 0 FAABRN O=C(CN1CC(=O)NC1=O)N1CCC([C@@H]2NC(=O)N[C@H]3OCC[C@H]32)CC1 ZINC000257228901 534515546 /nfs/dbraw/zinc/51/55/46/534515546.db2.gz FVTYYGUGXLDDIN-BPNCWPANSA-N 0 0 365.390 -1.179 40 0 FAABRN O=C(NCC1CCCCC1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12 ZINC000257234777 534817794 /nfs/dbraw/zinc/81/77/94/534817794.db2.gz GVARJGNWHFQSQX-BMBUUVGOSA-N 0 0 374.459 -1.590 40 0 FAABRN CC(C)c1ncc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)cn1 ZINC000257235659 528341294 /nfs/dbraw/zinc/34/12/94/528341294.db2.gz GYUJIVUSGVSSQW-RISCZKNCSA-N 0 0 358.420 -1.303 40 0 FAABRN C[C@@]1(O)CCN(CC(=O)N2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257236522 223032615 /nfs/dbraw/zinc/03/26/15/223032615.db2.gz HCOPHRVLLDXSRE-MLGOLLRUSA-N 0 0 352.391 -1.195 40 0 FAABRN O=C(CCCN1C(=O)CNC1=O)N1CC[C@](O)(CN2CCOCC2)C1 ZINC000257237369 223032546 /nfs/dbraw/zinc/03/25/46/223032546.db2.gz HGECEMNOKLRUBF-INIZCTEOSA-N 0 0 354.407 -1.386 40 0 FAABRN O=C(CCCN1C(=O)CNC1=O)N1CC[C@@](O)(CN2CCOCC2)C1 ZINC000257237370 482961650 /nfs/dbraw/zinc/96/16/50/482961650.db2.gz HGECEMNOKLRUBF-MRXNPFEDSA-N 0 0 354.407 -1.386 40 0 FAABRN COCC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1O ZINC000257241271 223033384 /nfs/dbraw/zinc/03/33/84/223033384.db2.gz HXJPVAFTJQWSCI-VXGBXAGGSA-N 0 0 370.387 -1.647 40 0 FAABRN CS(=O)(=O)NC[C@]1(O)CCN(C(=O)CN2CCOCC2)C[C@H]1O ZINC000257242730 482961806 /nfs/dbraw/zinc/96/18/06/482961806.db2.gz IDWGULOEFVJJLL-DGCLKSJQSA-N 0 0 351.425 -2.808 40 0 FAABRN CC(=O)NCC(=O)N1CCOC[C@](O)(CNC(=O)c2ccccn2)C1 ZINC000257249032 209977658 /nfs/dbraw/zinc/97/76/58/209977658.db2.gz JGJZWUZRWSPRGA-INIZCTEOSA-N 0 0 350.375 -1.463 40 0 FAABRN CC(=O)NCC(=O)N1CCOC[C@@](O)(CNC(=O)c2ccccn2)C1 ZINC000257249033 209976786 /nfs/dbraw/zinc/97/67/86/209976786.db2.gz JGJZWUZRWSPRGA-MRXNPFEDSA-N 0 0 350.375 -1.463 40 0 FAABRN O=C([C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12)N1CCC(O)CC1 ZINC000257250672 482961064 /nfs/dbraw/zinc/96/10/64/482961064.db2.gz JNMSELVFDWZZRT-CBIDHWNRSA-N 0 0 362.404 -3.303 40 0 FAABRN C[C@@]1(O)CN(C(=O)CC[C@H]([NH3+])C(=O)[O-])CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257253083 223039382 /nfs/dbraw/zinc/03/93/82/223039382.db2.gz JXMWWCWYTFOKDQ-FEUHOPSXSA-N 0 0 354.363 -1.335 40 0 FAABRN C[C@@]1(O)CN(C(=O)CC[C@@H]([NH3+])C(=O)[O-])CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257253084 206608446 /nfs/dbraw/zinc/60/84/46/206608446.db2.gz JXMWWCWYTFOKDQ-IQMDTDKHSA-N 0 0 354.363 -1.335 40 0 FAABRN O=C(NC1CCCCCC1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12 ZINC000257256877 482961107 /nfs/dbraw/zinc/96/11/07/482961107.db2.gz KNHAPQCMIDETLZ-BMBUUVGOSA-N 0 0 374.459 -1.447 40 0 FAABRN Cc1cc(N2CC[C@](O)(CN(C)C(=O)CNS(C)(=O)=O)C2)ncn1 ZINC000257260576 482962003 /nfs/dbraw/zinc/96/20/03/482962003.db2.gz LDLXJLDIVRKRMK-AWEZNQCLSA-N 0 0 357.436 -1.266 40 0 FAABRN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CNS(C)(=O)=O)C2)ncn1 ZINC000257260577 482961904 /nfs/dbraw/zinc/96/19/04/482961904.db2.gz LDLXJLDIVRKRMK-CQSZACIVSA-N 0 0 357.436 -1.266 40 0 FAABRN COc1ccc(C(=O)N2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)cn1 ZINC000257261278 482963130 /nfs/dbraw/zinc/96/31/30/482963130.db2.gz LGOATOHZSSEGHF-BXUZGUMPSA-N 0 0 359.404 -1.423 40 0 FAABRN CC(=O)NC[C@@H]1CC[C@H](CC(=O)N2CCNC(=O)C2)N1S(C)(=O)=O ZINC000257266083 482963677 /nfs/dbraw/zinc/96/36/77/482963677.db2.gz MBLSWATYZVPNMC-NEPJUHHUSA-N 0 0 360.436 -1.736 40 0 FAABRN CNC(=O)[C@@H]1CN(C(=O)CNS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000257273249 209983050 /nfs/dbraw/zinc/98/30/50/209983050.db2.gz NFVYQSCTXYGBIB-AWEZNQCLSA-N 0 0 368.459 -1.005 40 0 FAABRN CNC(=O)[C@H]1CN(C(=O)CNS(C)(=O)=O)CCN1Cc1ccccc1 ZINC000257273250 529926717 /nfs/dbraw/zinc/92/67/17/529926717.db2.gz NFVYQSCTXYGBIB-CQSZACIVSA-N 0 0 368.459 -1.005 40 0 FAABRN CC1(C)S[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N2[C@@H]1C(=O)NCCO ZINC000257275768 527822951 /nfs/dbraw/zinc/82/29/51/527822951.db2.gz NQULNXGHCQQDAV-YNYARCGMSA-N 0 0 350.393 -3.399 40 0 FAABRN COc1ncccc1C(=O)N1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1 ZINC000257285422 223051080 /nfs/dbraw/zinc/05/10/80/223051080.db2.gz PHARXIJFNYIQBA-BXUZGUMPSA-N 0 0 359.404 -1.423 40 0 FAABRN COc1ccc(CC(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)cc1 ZINC000257290350 533441746 /nfs/dbraw/zinc/44/17/46/533441746.db2.gz QCPKTBOXHWXVTH-HIFRSBDPSA-N 0 0 358.416 -1.279 40 0 FAABRN O=C(Nc1nccs1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12 ZINC000257291245 206617289 /nfs/dbraw/zinc/61/72/89/206617289.db2.gz QGFPGWHQNRDPNF-GSLUXQPVSA-N 0 0 361.401 -2.191 40 0 FAABRN C[C@@]1(O)CN(C(=O)[C@@H]([NH3+])CC(=O)[O-])CC[C@H]1n1cnc2c1ncnc2N ZINC000257294577 223053812 /nfs/dbraw/zinc/05/38/12/223053812.db2.gz QUTAZQVDAXITOR-IQMYEBEASA-N 0 0 363.378 -1.265 40 0 FAABRN C[C@@]1(O)CN(C(=O)CN2CCOCC2)CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257296618 223055671 /nfs/dbraw/zinc/05/56/71/223055671.db2.gz RDOPJHPEHSVUFJ-MLGOLLRUSA-N 0 0 352.391 -1.195 40 0 FAABRN CC(=O)NCC(=O)N1CCOC[C@](O)(CNC(=O)c2cscn2)C1 ZINC000257297595 482963057 /nfs/dbraw/zinc/96/30/57/482963057.db2.gz RHZLPUYZDUADOF-AWEZNQCLSA-N 0 0 356.404 -1.401 40 0 FAABRN CC(=O)NCC(=O)N1CCOC[C@@](O)(CNC(=O)c2cscn2)C1 ZINC000257297596 482962812 /nfs/dbraw/zinc/96/28/12/482962812.db2.gz RHZLPUYZDUADOF-CQSZACIVSA-N 0 0 356.404 -1.401 40 0 FAABRN CC(=O)N1CCN(C[C@@]2(O)CCN(C(=O)CN3CCOCC3)C2)CC1 ZINC000257297777 482962985 /nfs/dbraw/zinc/96/29/85/482962985.db2.gz RITKMSDTYIABRX-KRWDZBQOSA-N 0 0 354.451 -1.554 40 0 FAABRN CC(=O)N1CCN(C[C@]2(O)CCN(C(=O)CN3CCOCC3)C2)CC1 ZINC000257297778 482962789 /nfs/dbraw/zinc/96/27/89/482962789.db2.gz RITKMSDTYIABRX-QGZVFWFLSA-N 0 0 354.451 -1.554 40 0 FAABRN COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc(C)nc(N)n2)C1 ZINC000257316277 206622833 /nfs/dbraw/zinc/62/28/33/206622833.db2.gz VEXNAKSYLMHEJD-HNNXBMFYSA-N 0 0 353.379 -1.667 40 0 FAABRN COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc(C)nc(N)n2)C1 ZINC000257316278 533065521 /nfs/dbraw/zinc/06/55/21/533065521.db2.gz VEXNAKSYLMHEJD-OAHLLOKOSA-N 0 0 353.379 -1.667 40 0 FAABRN O=C(CN1CCN(CCO)CC1)N1CC[C@](O)(CN2CCOCC2)C1 ZINC000257318512 223064257 /nfs/dbraw/zinc/06/42/57/223064257.db2.gz VOFZXOHBHQHZQJ-KRWDZBQOSA-N 0 0 356.467 -2.108 40 0 FAABRN O=C(CN1CCN(CCO)CC1)N1CC[C@@](O)(CN2CCOCC2)C1 ZINC000257318513 223064375 /nfs/dbraw/zinc/06/43/75/223064375.db2.gz VOFZXOHBHQHZQJ-QGZVFWFLSA-N 0 0 356.467 -2.108 40 0 FAABRN CCOc1ncccc1C(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1 ZINC000257319555 206623794 /nfs/dbraw/zinc/62/37/94/206623794.db2.gz VSZXOXMYTZOIGH-RISCZKNCSA-N 0 0 359.404 -1.423 40 0 FAABRN CC1(C)NC(=O)N(CC(=O)N2CC[C@](O)(CN3CCOCC3)C2)C1=O ZINC000257320640 527784839 /nfs/dbraw/zinc/78/48/39/527784839.db2.gz VXSDCPJWKHOGEX-INIZCTEOSA-N 0 0 354.407 -1.388 40 0 FAABRN CC1(C)NC(=O)N(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)C1=O ZINC000257320641 482962829 /nfs/dbraw/zinc/96/28/29/482962829.db2.gz VXSDCPJWKHOGEX-MRXNPFEDSA-N 0 0 354.407 -1.388 40 0 FAABRN C[C@@]1(O)CCN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257322400 223066016 /nfs/dbraw/zinc/06/60/16/223066016.db2.gz WFVBNEYLGAFHGQ-FEUHOPSXSA-N 0 0 354.363 -1.335 40 0 FAABRN Nc1nccnc1[C@H]1CN(C(=O)CN2CCN(CCO)CC2)CCO1 ZINC000257327595 482962759 /nfs/dbraw/zinc/96/27/59/482962759.db2.gz XBZOCSDKSMYYFF-CYBMUJFWSA-N 0 0 350.423 -1.431 40 0 FAABRN Nc1nccnc1[C@@H]1CN(C(=O)CN2CCN(CCO)CC2)CCO1 ZINC000257327596 482963359 /nfs/dbraw/zinc/96/33/59/482963359.db2.gz XBZOCSDKSMYYFF-ZDUSSCGKSA-N 0 0 350.423 -1.431 40 0 FAABRN C[C@@]1(O)CCN(C(=O)CC[C@H]([NH3+])C(=O)[O-])C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257332855 206628378 /nfs/dbraw/zinc/62/83/78/206628378.db2.gz XYZOHGDKTVAWIJ-FEUHOPSXSA-N 0 0 354.363 -1.335 40 0 FAABRN CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)CNS(C)(=O)=O ZINC000257335203 132297500 /nfs/dbraw/zinc/29/75/00/132297500.db2.gz YJCQCACVBVNMKF-AWEZNQCLSA-N 0 0 357.436 -1.185 40 0 FAABRN CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)CNS(C)(=O)=O ZINC000257335204 132297430 /nfs/dbraw/zinc/29/74/30/132297430.db2.gz YJCQCACVBVNMKF-CQSZACIVSA-N 0 0 357.436 -1.185 40 0 FAABRN Cn1c2ncn([C@H]3CN(CC(N)=O)CC[C@]3(C)O)c2c(=O)n(C)c1=O ZINC000257337623 482963075 /nfs/dbraw/zinc/96/30/75/482963075.db2.gz YTPGBHAGDIAMKK-VFZGTOFNSA-N 0 0 350.379 -2.083 40 0 FAABRN COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2n[nH]c3c2CCC3)C1 ZINC000257339290 210002573 /nfs/dbraw/zinc/00/25/73/210002573.db2.gz ZBCBVQVHFAIXKX-INIZCTEOSA-N 0 0 352.391 -1.136 40 0 FAABRN COCC(=O)NC[C@]1(O)COCCN(C(=O)c2n[nH]c3c2CCC3)C1 ZINC000257339291 533066048 /nfs/dbraw/zinc/06/60/48/533066048.db2.gz ZBCBVQVHFAIXKX-MRXNPFEDSA-N 0 0 352.391 -1.136 40 0 FAABRN COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]([C@H](O)OC)[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000257345347 482619696 /nfs/dbraw/zinc/61/96/96/482619696.db2.gz NKPXXQQNLMLDTI-FKUYFSDWSA-N 0 0 362.331 -1.262 40 0 FAABRN COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]([C@@H](O)OC)[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000257345348 482619752 /nfs/dbraw/zinc/61/97/52/482619752.db2.gz NKPXXQQNLMLDTI-IMHINIOTSA-N 0 0 362.331 -1.262 40 0 FAABRN COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]([C@@H](O)OC)[C@@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000257345349 482619653 /nfs/dbraw/zinc/61/96/53/482619653.db2.gz NKPXXQQNLMLDTI-JHMKVRFYSA-N 0 0 362.331 -1.262 40 0 FAABRN COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]([C@H](O)OC)[C@H](C(=O)OC)[C@@H]1C(=O)OC ZINC000257345350 482619763 /nfs/dbraw/zinc/61/97/63/482619763.db2.gz NKPXXQQNLMLDTI-QHAQEBJBSA-N 0 0 362.331 -1.262 40 0 FAABRN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O ZINC000257347511 223072847 /nfs/dbraw/zinc/07/28/47/223072847.db2.gz KCLZXOUVOULMDP-BGNCJLHMSA-N 0 0 370.358 -2.171 40 0 FAABRN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@H]1O ZINC000257347512 483187092 /nfs/dbraw/zinc/18/70/92/483187092.db2.gz KCLZXOUVOULMDP-MYBUGEPTSA-N 0 0 370.358 -2.171 40 0 FAABRN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@H]1O ZINC000257347513 483187227 /nfs/dbraw/zinc/18/72/27/483187227.db2.gz KCLZXOUVOULMDP-QPGZIWCOSA-N 0 0 370.358 -2.171 40 0 FAABRN CN(C)S(=O)(=O)N1Cc2cncn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000306123789 483103194 /nfs/dbraw/zinc/10/31/94/483103194.db2.gz AWRUPWDGYALESP-JTQLQIEISA-N 0 0 351.454 -1.015 40 0 FAABRN CN(C)S(=O)(=O)N1Cc2cncn2[C@H](CCNS(C)(=O)=O)C1 ZINC000306123790 483103470 /nfs/dbraw/zinc/10/34/70/483103470.db2.gz AWRUPWDGYALESP-SNVBAGLBSA-N 0 0 351.454 -1.015 40 0 FAABRN CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](CCNS(C)(=O)=O)C1 ZINC000306130649 483104319 /nfs/dbraw/zinc/10/43/19/483104319.db2.gz JMGNBVNVKPBDPH-LLVKDONJSA-N 0 0 351.454 -1.015 40 0 FAABRN CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000306130650 223109209 /nfs/dbraw/zinc/10/92/09/223109209.db2.gz JMGNBVNVKPBDPH-NSHDSACASA-N 0 0 351.454 -1.015 40 0 FAABRN CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](CNS(C)(=O)=O)C1 ZINC000306142819 483103511 /nfs/dbraw/zinc/10/35/11/483103511.db2.gz XKSKBFPOPKLDMN-JTQLQIEISA-N 0 0 351.454 -1.330 40 0 FAABRN CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](CNS(C)(=O)=O)C1 ZINC000306142820 483103182 /nfs/dbraw/zinc/10/31/82/483103182.db2.gz XKSKBFPOPKLDMN-SNVBAGLBSA-N 0 0 351.454 -1.330 40 0 FAABRN Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000408526103 482529627 /nfs/dbraw/zinc/52/96/27/482529627.db2.gz FKGIRENFNLSWQM-FBAAROJDSA-N 0 0 362.140 -2.676 40 0 FAABRN Nc1nc2c(nc(N3CCCC3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000408723371 571139033 /nfs/dbraw/zinc/13/90/33/571139033.db2.gz TXVWMZVTUGZJQK-WOUKDFQISA-N 0 0 352.351 -1.674 40 0 FAABRN CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)N3CCOCC3)[C@H]2O)CC1 ZINC000514288361 482679137 /nfs/dbraw/zinc/67/91/37/482679137.db2.gz AZDJKZUXCACOJN-HRCADAONSA-N 0 0 370.450 -1.289 40 0 biogenic,in-vitro FAABRN CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)C3CCOCC3)[C@H]2O)CC1 ZINC000514288422 483344670 /nfs/dbraw/zinc/34/46/70/483344670.db2.gz DWBIACIYGJFARM-HRCADAONSA-N 0 0 355.435 -1.178 40 0 biogenic,in-vitro FAABRN CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)N3CCOCC3)[C@H]2O)CC1 ZINC000514289444 482678651 /nfs/dbraw/zinc/67/86/51/482678651.db2.gz UKMUTDGVAQYATM-SOUVJXGZSA-N 0 0 356.423 -1.679 40 0 biogenic,in-vitro FAABRN CCCS(=O)(=O)N[C@H]1CO[C@@H](CN2CCCN(C(C)=O)CC2)[C@@H]1O ZINC000514289574 482677244 /nfs/dbraw/zinc/67/72/44/482677244.db2.gz VMTSAWQJHWGWHT-SOUVJXGZSA-N 0 0 363.480 -1.002 40 0 biogenic,in-vitro FAABRN CNC(=O)[C@H]1COC2(CN(C(=O)c3ccn(CCOC)n3)C2)CN1C ZINC000575404120 482708034 /nfs/dbraw/zinc/70/80/34/482708034.db2.gz LQLORIHUNWDJKG-CYBMUJFWSA-N 0 0 351.407 -1.199 40 0 FAABRN CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccn(CCOC)n3)C2)CN1C ZINC000575404121 482707986 /nfs/dbraw/zinc/70/79/86/482707986.db2.gz LQLORIHUNWDJKG-ZDUSSCGKSA-N 0 0 351.407 -1.199 40 0 FAABRN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575420973 483195515 /nfs/dbraw/zinc/19/55/15/483195515.db2.gz GYBCJZXJBLUBRQ-CHWSQXEVSA-N 0 0 362.429 -1.241 40 0 FAABRN CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575420979 483195480 /nfs/dbraw/zinc/19/54/80/483195480.db2.gz GYBCJZXJBLUBRQ-OLZOCXBDSA-N 0 0 362.429 -1.241 40 0 FAABRN CC(=O)NCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575420980 483195715 /nfs/dbraw/zinc/19/57/15/483195715.db2.gz GYBCJZXJBLUBRQ-QWHCGFSZSA-N 0 0 362.429 -1.241 40 0 FAABRN CC(=O)NCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575420982 483195420 /nfs/dbraw/zinc/19/54/20/483195420.db2.gz GYBCJZXJBLUBRQ-STQMWFEESA-N 0 0 362.429 -1.241 40 0 FAABRN CN(CC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000575421259 483195362 /nfs/dbraw/zinc/19/53/62/483195362.db2.gz HOEFLSBKZNVTFB-RYUDHWBXSA-N 0 0 352.478 -1.207 40 0 FAABRN CN(CC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421262 483195563 /nfs/dbraw/zinc/19/55/63/483195563.db2.gz HOEFLSBKZNVTFB-TXEJJXNPSA-N 0 0 352.478 -1.207 40 0 FAABRN CN(CC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000575421263 483195649 /nfs/dbraw/zinc/19/56/49/483195649.db2.gz HOEFLSBKZNVTFB-VXGBXAGGSA-N 0 0 352.478 -1.207 40 0 FAABRN O=S(=O)(c1ccc(F)cc1)N(CCO)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421444 483195510 /nfs/dbraw/zinc/19/55/10/483195510.db2.gz IMJAFCLIRSBOSM-NEPJUHHUSA-N 0 0 353.393 -1.033 40 0 FAABRN O=S(=O)(c1ccc(F)cc1)N(CCO)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575421448 483195921 /nfs/dbraw/zinc/19/59/21/483195921.db2.gz IMJAFCLIRSBOSM-NWDGAFQWSA-N 0 0 353.393 -1.033 40 0 FAABRN O=S(=O)(c1ccc(F)cc1)N(CCO)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000575421450 483195641 /nfs/dbraw/zinc/19/56/41/483195641.db2.gz IMJAFCLIRSBOSM-RYUDHWBXSA-N 0 0 353.393 -1.033 40 0 FAABRN O=S(=O)(c1ccc(F)cc1)N(CCO)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575421451 483195457 /nfs/dbraw/zinc/19/54/57/483195457.db2.gz IMJAFCLIRSBOSM-VXGBXAGGSA-N 0 0 353.393 -1.033 40 0 FAABRN COc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575425529 483197533 /nfs/dbraw/zinc/19/75/33/483197533.db2.gz FUUFMUHZTYAVJA-CHWSQXEVSA-N 0 0 365.429 -1.164 40 0 FAABRN COc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575425532 483196983 /nfs/dbraw/zinc/19/69/83/483196983.db2.gz FUUFMUHZTYAVJA-OLZOCXBDSA-N 0 0 365.429 -1.164 40 0 FAABRN COc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575425534 483198005 /nfs/dbraw/zinc/19/80/05/483198005.db2.gz FUUFMUHZTYAVJA-QWHCGFSZSA-N 0 0 365.429 -1.164 40 0 FAABRN COc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575425536 483197916 /nfs/dbraw/zinc/19/79/16/483197916.db2.gz FUUFMUHZTYAVJA-STQMWFEESA-N 0 0 365.429 -1.164 40 0 FAABRN COc1ccc(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575425889 483196953 /nfs/dbraw/zinc/19/69/53/483196953.db2.gz IOUOCABXCYGJNA-CHWSQXEVSA-N 0 0 364.445 -1.279 40 0 FAABRN COc1ccc(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575425890 483197701 /nfs/dbraw/zinc/19/77/01/483197701.db2.gz IOUOCABXCYGJNA-OLZOCXBDSA-N 0 0 364.445 -1.279 40 0 FAABRN COc1ccc(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575425891 483197215 /nfs/dbraw/zinc/19/72/15/483197215.db2.gz IOUOCABXCYGJNA-QWHCGFSZSA-N 0 0 364.445 -1.279 40 0 FAABRN COc1ccc(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575425892 483197474 /nfs/dbraw/zinc/19/74/74/483197474.db2.gz IOUOCABXCYGJNA-STQMWFEESA-N 0 0 364.445 -1.279 40 0 FAABRN Nc1nc(=O)n([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1I ZINC000584577633 483281077 /nfs/dbraw/zinc/28/10/77/483281077.db2.gz LQQGJDJXUSAEMZ-VUBPFVNUSA-N 0 0 369.115 -1.716 40 0 FAABRN CC(=O)[C@@H](O)[C@@H]1O[C@H](n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@]1(O)C(C)=O ZINC000584578428 483778591 /nfs/dbraw/zinc/77/85/91/483778591.db2.gz KTEUOSFSVOIUPZ-BJOCSMKWSA-N 0 0 367.318 -2.358 40 0 FAABRN CC(=O)[C@H](O)[C@@H]1O[C@H](n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@]1(O)C(C)=O ZINC000584578429 483778510 /nfs/dbraw/zinc/77/85/10/483778510.db2.gz KTEUOSFSVOIUPZ-MFTDMCMBSA-N 0 0 367.318 -2.358 40 0 FAABRN CC(=O)[C@@H](O)[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@]1(O)C(C)=O ZINC000584578441 483281255 /nfs/dbraw/zinc/28/12/55/483281255.db2.gz ZIPBCHWXANEFGH-ABPHAOMWSA-N 0 0 351.319 -2.063 40 0 FAABRN CC(=O)[C@H](O)[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@]1(O)C(C)=O ZINC000584578442 483281110 /nfs/dbraw/zinc/28/11/10/483281110.db2.gz ZIPBCHWXANEFGH-AUWDCVOYSA-N 0 0 351.319 -2.063 40 0 FAABRN Cc1ccn(CC(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c(=O)c1 ZINC000585287726 482649475 /nfs/dbraw/zinc/64/94/75/482649475.db2.gz CMEQGEDPQKQZCT-CPUCHLNUSA-N 0 0 351.403 -1.578 40 0 FAABRN O=C1CN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CCN1 ZINC000585290605 482649669 /nfs/dbraw/zinc/64/96/69/482649669.db2.gz DLIAPATYHMTCGG-HIFRSBDPSA-N 0 0 355.416 -1.785 40 0 FAABRN CNC(=O)C1CN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)C1 ZINC000585290850 482649548 /nfs/dbraw/zinc/64/95/48/482649548.db2.gz GIDMEEUYURONHM-ZBFHGGJFSA-N 0 0 369.443 -1.539 40 0 FAABRN O=C(/C=C/CN1CCOCC1)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000585291276 482649541 /nfs/dbraw/zinc/64/95/41/482649541.db2.gz OLBFEPASKUNRJR-UHKMRQEHSA-N 0 0 366.462 -1.295 40 0 FAABRN O=C(/C=C/CN1CCOCC1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000585291548 482649954 /nfs/dbraw/zinc/64/99/54/482649954.db2.gz QBIAQXKXVKTCHJ-KIHCIEMGSA-N 0 0 369.462 -1.470 40 0 FAABRN COCCNC(=O)NC[C@H]1O[C@@H]2C[C@H](CC(=O)NC3CC3)O[C@@H]2[C@@H]1O ZINC000604381676 482889094 /nfs/dbraw/zinc/88/90/94/482889094.db2.gz KXNGKOMRBJERON-FWZIUSJTSA-N 0 0 357.407 -1.114 40 0 biogenic,in-vitro FAABRN O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)N3CCOCC3)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604381827 482889859 /nfs/dbraw/zinc/88/98/59/482889859.db2.gz QKDKGIJKNPVIPM-HGYYMRRCSA-N 0 0 369.418 -1.017 40 0 biogenic,in-vitro FAABRN COCC(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)N3CCOCC3)C2)C1 ZINC000604382030 482888677 /nfs/dbraw/zinc/88/86/77/482888677.db2.gz ZSLLQYKQWNUVOP-CQSZACIVSA-N 0 0 368.434 -1.318 40 0 biogenic,in-vitro FAABRN CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)N3CCOCC3)C2)C1 ZINC000604382058 482889033 /nfs/dbraw/zinc/88/90/33/482889033.db2.gz BNEXJTMZLIOLDX-CYBMUJFWSA-N 0 0 374.463 -1.531 40 0 biogenic,in-vitro FAABRN Cn1cncc1CN1CC2(C1)CN(S(C)(=O)=O)C[C@@H]1COCCN12 ZINC000604382294 482889903 /nfs/dbraw/zinc/88/99/03/482889903.db2.gz NLSBPIDGBXIVIM-CQSZACIVSA-N 0 0 355.464 -1.050 40 0 biogenic,in-vitro FAABRN